USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 640 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 60 CYS SG : rot 145:sc= 0.369 USER MOD Set 1.2: A 63 CYS SG : rot -44:sc= 0.295 USER MOD Set 1.3: A 76 HIS : no HE2:sc= -5.32! C(o=-7!,f=-9.9!) USER MOD Set 1.4: A 80 HIS : no HE2:sc= -2.33 K(o=-7,f=-9.7!) USER MOD Set 2.1: A 58 HIS : no HD1:sc= -0.054 K(o=-0.054,f=0.79) USER MOD Set 2.2: A 70 SER OG : rot 180:sc=-9.18e-05 USER MOD Set 3.1: A 47 LYS NZ :NH3+ -178:sc= 0.376 (180deg=0) USER MOD Set 3.2: A 69 GLN : amide:sc= -1.99 K(o=-1.6,f=-5.7!) USER MOD Set 4.1: A 32 CYS SG : rot 140:sc= -0.799! USER MOD Set 4.2: A 35 CYS SG : rot -28:sc= 0.33 USER MOD Set 4.3: A 37 LYS NZ :NH3+ 164:sc=-0.00208 (180deg=-0.123) USER MOD Set 4.4: A 48 HIS : no HE2:sc= -4.14! C(o=-6.7!,f=-11!) USER MOD Set 4.5: A 52 HIS : no HE2:sc= -2.11 K(o=-6.7,f=-8.2) USER MOD Set 5.1: A 15 SER OG : rot 180:sc= -0.815 USER MOD Set 5.2: A 16 THR OG1 : rot 69:sc= -0.856 USER MOD Set 6.1: A 4 CYS SG : rot 154:sc= 0.872 USER MOD Set 6.2: A 7 CYS SG : rot -49:sc= 0.0235 USER MOD Set 6.3: A 20 HIS : no HE2:sc= -6.69! C(o=-14!,f=-16!) USER MOD Set 6.4: A 24 HIS : no HE2:sc= -8.24! C(o=-14!,f=-14!) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= -0.0313 (180deg=-0.463) USER MOD Single : A 9 LYS NZ :NH3+ -154:sc= -0.203 (180deg=-1.45!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0216 (180deg=-0.237) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -150:sc= -0.341 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.63! C(o=-1.6!,f=-1.7!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -1.39! C(o=-1.4!,f=-11!) USER MOD Single : A 41 GLN : amide:sc= -1.15 K(o=-1.2,f=-2.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 135:sc= 0.108 (180deg=-0.305) USER MOD Single : A 49 THR OG1 : rot -7:sc= -1.99 USER MOD Single : A 53 THR OG1 : rot -17:sc= -1.87! USER MOD Single : A 56 LYS NZ :NH3+ -97:sc= 0.0166 (180deg=-1.17) USER MOD Single : A 59 LYS NZ :NH3+ 135:sc= -0.119 (180deg=-0.752) USER MOD Single : A 61 GLN : amide:sc= -2.29! X(o=-2.3!,f=-2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.133 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.389 K(o=-0.39,f=-3.9!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 161:sc= -0.0379 (180deg=-0.532) USER MOD Single : A 81 THR OG1 : rot -8:sc= -0.0873 USER MOD ----------------------------------------------------------------- ATOM 14 N PHE A 2 -12.072 -6.571 37.513 1.00 0.92 N ATOM 15 CA PHE A 2 -13.092 -5.490 37.351 1.00 0.79 C ATOM 16 C PHE A 2 -13.708 -5.645 35.967 1.00 0.61 C ATOM 17 O PHE A 2 -12.998 -5.745 34.983 1.00 0.48 O ATOM 18 CB PHE A 2 -12.422 -4.112 37.489 1.00 0.76 C ATOM 19 CG PHE A 2 -11.295 -4.215 38.489 1.00 0.96 C ATOM 20 CD1 PHE A 2 -10.090 -4.805 38.104 1.00 1.06 C ATOM 21 CD2 PHE A 2 -11.455 -3.740 39.798 1.00 1.06 C ATOM 22 CE1 PHE A 2 -9.043 -4.931 39.018 1.00 1.26 C ATOM 23 CE2 PHE A 2 -10.403 -3.862 40.717 1.00 1.26 C ATOM 24 CZ PHE A 2 -9.196 -4.456 40.327 1.00 1.35 C ATOM 0 HA PHE A 2 -13.862 -5.567 38.119 1.00 0.79 H new ATOM 0 HB2 PHE A 2 -12.040 -3.780 36.524 1.00 0.76 H new ATOM 0 HB3 PHE A 2 -13.150 -3.370 37.816 1.00 0.76 H new ATOM 0 HD1 PHE A 2 -9.967 -5.166 37.093 1.00 1.06 H new ATOM 0 HD2 PHE A 2 -12.386 -3.281 40.098 1.00 1.06 H new ATOM 0 HE1 PHE A 2 -8.115 -5.394 38.716 1.00 1.26 H new ATOM 0 HE2 PHE A 2 -10.524 -3.498 41.726 1.00 1.26 H new ATOM 0 HZ PHE A 2 -8.385 -4.548 41.034 1.00 1.35 H new ATOM 34 N ASP A 3 -15.017 -5.698 35.878 1.00 0.67 N ATOM 35 CA ASP A 3 -15.643 -5.876 34.551 1.00 0.59 C ATOM 36 C ASP A 3 -16.373 -4.605 34.116 1.00 0.60 C ATOM 37 O ASP A 3 -17.122 -3.999 34.852 1.00 0.74 O ATOM 38 CB ASP A 3 -16.583 -7.076 34.565 1.00 0.75 C ATOM 39 CG ASP A 3 -15.862 -8.271 35.200 1.00 1.01 C ATOM 40 OD1 ASP A 3 -14.945 -8.046 35.973 1.00 1.67 O ATOM 41 OD2 ASP A 3 -16.237 -9.392 34.900 1.00 1.38 O ATOM 0 H ASP A 3 -15.663 -5.626 36.664 1.00 0.67 H new ATOM 0 HA ASP A 3 -14.857 -6.069 33.821 1.00 0.59 H new ATOM 0 HB2 ASP A 3 -17.486 -6.840 35.128 1.00 0.75 H new ATOM 0 HB3 ASP A 3 -16.895 -7.321 33.550 1.00 0.75 H new ATOM 46 N CYS A 4 -16.117 -4.243 32.894 1.00 0.52 N ATOM 47 CA CYS A 4 -16.736 -3.019 32.293 1.00 0.60 C ATOM 48 C CYS A 4 -18.262 -3.158 32.209 1.00 0.82 C ATOM 49 O CYS A 4 -18.798 -4.143 31.735 1.00 0.92 O ATOM 50 CB CYS A 4 -16.196 -2.773 30.888 1.00 0.57 C ATOM 51 SG CYS A 4 -17.415 -1.813 29.943 1.00 0.77 S ATOM 0 H CYS A 4 -15.492 -4.751 32.268 1.00 0.52 H new ATOM 0 HA CYS A 4 -16.481 -2.179 32.939 1.00 0.60 H new ATOM 0 HB2 CYS A 4 -15.250 -2.234 30.938 1.00 0.57 H new ATOM 0 HB3 CYS A 4 -15.997 -3.722 30.390 1.00 0.57 H new ATOM 0 HG CYS A 4 -16.808 -1.133 29.016 1.00 0.77 H new ATOM 56 N LYS A 5 -18.962 -2.173 32.686 1.00 0.91 N ATOM 57 CA LYS A 5 -20.455 -2.229 32.647 1.00 1.13 C ATOM 58 C LYS A 5 -20.964 -1.329 31.528 1.00 1.20 C ATOM 59 O LYS A 5 -22.035 -0.753 31.630 1.00 1.37 O ATOM 60 CB LYS A 5 -21.022 -1.744 33.991 1.00 1.22 C ATOM 61 CG LYS A 5 -19.970 -1.942 35.080 1.00 1.43 C ATOM 62 CD LYS A 5 -20.433 -1.228 36.336 1.00 1.41 C ATOM 63 CE LYS A 5 -19.285 -1.138 37.340 1.00 1.74 C ATOM 64 NZ LYS A 5 -18.658 -2.479 37.510 1.00 2.46 N ATOM 0 H LYS A 5 -18.570 -1.329 33.103 1.00 0.91 H new ATOM 0 HA LYS A 5 -20.777 -3.255 32.467 1.00 1.13 H new ATOM 0 HB2 LYS A 5 -21.300 -0.692 33.924 1.00 1.22 H new ATOM 0 HB3 LYS A 5 -21.928 -2.298 34.238 1.00 1.22 H new ATOM 0 HG2 LYS A 5 -19.827 -3.004 35.279 1.00 1.43 H new ATOM 0 HG3 LYS A 5 -19.008 -1.547 34.753 1.00 1.43 H new ATOM 0 HD2 LYS A 5 -20.787 -0.228 36.086 1.00 1.41 H new ATOM 0 HD3 LYS A 5 -21.273 -1.762 36.779 1.00 1.41 H new ATOM 0 HE2 LYS A 5 -18.542 -0.420 36.993 1.00 1.74 H new ATOM 0 HE3 LYS A 5 -19.656 -0.775 38.299 1.00 1.74 H new ATOM 0 HZ1 LYS A 5 -18.060 -2.477 38.361 1.00 2.46 H new ATOM 0 HZ2 LYS A 5 -19.401 -3.200 37.610 1.00 2.46 H new ATOM 0 HZ3 LYS A 5 -18.074 -2.697 36.677 1.00 2.46 H new ATOM 78 N ILE A 6 -20.198 -1.179 30.476 1.00 1.10 N ATOM 79 CA ILE A 6 -20.632 -0.284 29.367 1.00 1.22 C ATOM 80 C ILE A 6 -20.722 -1.041 28.065 1.00 1.32 C ATOM 81 O ILE A 6 -21.509 -0.697 27.192 1.00 1.51 O ATOM 82 CB ILE A 6 -19.604 0.817 29.208 1.00 1.11 C ATOM 83 CG1 ILE A 6 -19.510 1.600 30.525 1.00 1.04 C ATOM 84 CG2 ILE A 6 -20.003 1.716 28.037 1.00 1.30 C ATOM 85 CD1 ILE A 6 -18.602 2.829 30.367 1.00 0.94 C ATOM 0 H ILE A 6 -19.296 -1.636 30.340 1.00 1.10 H new ATOM 0 HA ILE A 6 -21.615 0.121 29.608 1.00 1.22 H new ATOM 0 HB ILE A 6 -18.621 0.402 28.987 1.00 1.11 H new ATOM 0 HG12 ILE A 6 -20.505 1.916 30.837 1.00 1.04 H new ATOM 0 HG13 ILE A 6 -19.120 0.953 31.311 1.00 1.04 H new ATOM 0 HG21 ILE A 6 -19.265 2.510 27.920 1.00 1.30 H new ATOM 0 HG22 ILE A 6 -20.048 1.124 27.123 1.00 1.30 H new ATOM 0 HG23 ILE A 6 -20.981 2.156 28.233 1.00 1.30 H new ATOM 0 HD11 ILE A 6 -18.551 3.368 31.313 1.00 0.94 H new ATOM 0 HD12 ILE A 6 -17.601 2.507 30.078 1.00 0.94 H new ATOM 0 HD13 ILE A 6 -19.008 3.485 29.597 1.00 0.94 H new ATOM 97 N CYS A 7 -19.929 -2.054 27.895 1.00 1.22 N ATOM 98 CA CYS A 7 -19.985 -2.801 26.623 1.00 1.35 C ATOM 99 C CYS A 7 -19.802 -4.286 26.890 1.00 1.35 C ATOM 100 O CYS A 7 -20.304 -5.106 26.156 1.00 1.50 O ATOM 101 CB CYS A 7 -18.888 -2.298 25.697 1.00 1.31 C ATOM 102 SG CYS A 7 -17.252 -2.829 26.297 1.00 1.05 S ATOM 0 H CYS A 7 -19.251 -2.393 28.577 1.00 1.22 H new ATOM 0 HA CYS A 7 -20.955 -2.646 26.150 1.00 1.35 H new ATOM 0 HB2 CYS A 7 -19.053 -2.678 24.689 1.00 1.31 H new ATOM 0 HB3 CYS A 7 -18.925 -1.210 25.638 1.00 1.31 H new ATOM 0 HG CYS A 7 -17.140 -2.546 27.561 1.00 1.05 H new ATOM 107 N GLY A 8 -19.109 -4.647 27.945 1.00 1.25 N ATOM 108 CA GLY A 8 -18.941 -6.103 28.254 1.00 1.27 C ATOM 109 C GLY A 8 -17.502 -6.618 28.088 1.00 1.07 C ATOM 110 O GLY A 8 -17.259 -7.535 27.336 1.00 1.10 O ATOM 0 H GLY A 8 -18.658 -4.006 28.597 1.00 1.25 H new ATOM 0 HA2 GLY A 8 -19.265 -6.286 29.279 1.00 1.27 H new ATOM 0 HA3 GLY A 8 -19.599 -6.680 27.604 1.00 1.27 H new ATOM 114 N LYS A 9 -16.562 -6.104 28.832 1.00 0.93 N ATOM 115 CA LYS A 9 -15.173 -6.658 28.760 1.00 0.77 C ATOM 116 C LYS A 9 -14.582 -6.631 30.178 1.00 0.58 C ATOM 117 O LYS A 9 -14.986 -5.839 31.007 1.00 0.61 O ATOM 118 CB LYS A 9 -14.297 -5.893 27.759 1.00 0.77 C ATOM 119 CG LYS A 9 -12.988 -6.660 27.609 1.00 1.00 C ATOM 120 CD LYS A 9 -12.186 -6.118 26.430 1.00 1.08 C ATOM 121 CE LYS A 9 -10.818 -6.799 26.399 1.00 1.21 C ATOM 122 NZ LYS A 9 -10.167 -6.627 27.724 1.00 1.33 N ATOM 0 H LYS A 9 -16.690 -5.330 29.484 1.00 0.93 H new ATOM 0 HA LYS A 9 -15.205 -7.683 28.391 1.00 0.77 H new ATOM 0 HB2 LYS A 9 -14.802 -5.806 26.797 1.00 0.77 H new ATOM 0 HB3 LYS A 9 -14.108 -4.879 28.112 1.00 0.77 H new ATOM 0 HG2 LYS A 9 -12.403 -6.576 28.525 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -13.195 -7.720 27.460 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -12.719 -6.302 25.497 1.00 1.08 H new ATOM 0 HD3 LYS A 9 -12.066 -5.038 26.521 1.00 1.08 H new ATOM 0 HE2 LYS A 9 -10.929 -7.858 26.168 1.00 1.21 H new ATOM 0 HE3 LYS A 9 -10.198 -6.365 25.615 1.00 1.21 H new ATOM 0 HZ1 LYS A 9 -9.134 -6.670 27.611 1.00 1.33 H new ATOM 0 HZ2 LYS A 9 -10.434 -5.705 28.125 1.00 1.33 H new ATOM 0 HZ3 LYS A 9 -10.477 -7.386 28.364 1.00 1.33 H new ATOM 136 N SER A 10 -13.681 -7.537 30.496 1.00 0.45 N ATOM 137 CA SER A 10 -13.149 -7.580 31.904 1.00 0.34 C ATOM 138 C SER A 10 -11.689 -7.120 31.978 1.00 0.22 C ATOM 139 O SER A 10 -10.965 -7.104 30.999 1.00 0.33 O ATOM 140 CB SER A 10 -13.282 -8.999 32.493 0.50 0.47 C ATOM 141 OG SER A 10 -12.945 -9.963 31.504 1.00 0.80 O ATOM 0 H SER A 10 -13.297 -8.235 29.858 1.00 0.45 H new ATOM 0 HA SER A 10 -13.749 -6.888 32.495 1.00 0.34 H new ATOM 0 HB2 SER A 10 -12.627 -9.107 33.358 0.50 0.47 H new ATOM 0 HB3 SER A 10 -14.301 -9.164 32.843 0.50 0.47 H new ATOM 0 HG SER A 10 -13.029 -10.863 31.882 1.00 0.80 H new ATOM 147 N PHE A 11 -11.286 -6.713 33.167 1.00 0.27 N ATOM 148 CA PHE A 11 -9.892 -6.201 33.395 1.00 0.40 C ATOM 149 C PHE A 11 -9.300 -6.759 34.685 1.00 0.61 C ATOM 150 O PHE A 11 -9.892 -6.685 35.747 1.00 0.70 O ATOM 151 CB PHE A 11 -9.946 -4.675 33.463 1.00 0.42 C ATOM 152 CG PHE A 11 -10.643 -4.230 32.220 1.00 0.30 C ATOM 153 CD1 PHE A 11 -9.921 -4.091 31.036 1.00 0.42 C ATOM 154 CD2 PHE A 11 -12.023 -4.029 32.233 1.00 0.23 C ATOM 155 CE1 PHE A 11 -10.585 -3.750 29.857 1.00 0.53 C ATOM 156 CE2 PHE A 11 -12.684 -3.709 31.056 1.00 0.36 C ATOM 157 CZ PHE A 11 -11.968 -3.562 29.869 1.00 0.52 C ATOM 0 H PHE A 11 -11.875 -6.715 33.999 1.00 0.27 H new ATOM 0 HA PHE A 11 -9.253 -6.525 32.574 1.00 0.40 H new ATOM 0 HB2 PHE A 11 -10.483 -4.343 34.351 1.00 0.42 H new ATOM 0 HB3 PHE A 11 -8.943 -4.252 33.520 1.00 0.42 H new ATOM 0 HD1 PHE A 11 -8.852 -4.247 31.031 1.00 0.42 H new ATOM 0 HD2 PHE A 11 -12.575 -4.122 33.156 1.00 0.23 H new ATOM 0 HE1 PHE A 11 -10.030 -3.632 28.938 1.00 0.53 H new ATOM 0 HE2 PHE A 11 -13.755 -3.574 31.059 1.00 0.36 H new ATOM 0 HZ PHE A 11 -12.484 -3.302 28.957 1.00 0.52 H new ATOM 167 N LYS A 12 -8.114 -7.321 34.567 1.00 0.77 N ATOM 168 CA LYS A 12 -7.428 -7.892 35.731 1.00 0.99 C ATOM 169 C LYS A 12 -6.985 -6.758 36.651 1.00 1.07 C ATOM 170 O LYS A 12 -6.706 -6.976 37.807 1.00 1.21 O ATOM 171 CB LYS A 12 -6.175 -8.652 35.263 1.00 1.16 C ATOM 172 CG LYS A 12 -6.527 -9.679 34.173 1.00 1.23 C ATOM 173 CD LYS A 12 -5.973 -9.223 32.818 1.00 1.67 C ATOM 174 CE LYS A 12 -6.708 -9.958 31.697 1.00 1.86 C ATOM 175 NZ LYS A 12 -8.056 -9.350 31.523 1.00 2.61 N ATOM 0 H LYS A 12 -7.601 -7.399 33.689 1.00 0.77 H new ATOM 0 HA LYS A 12 -8.103 -8.568 36.255 1.00 0.99 H new ATOM 0 HB2 LYS A 12 -5.440 -7.946 34.878 1.00 1.16 H new ATOM 0 HB3 LYS A 12 -5.716 -9.160 36.111 1.00 1.16 H new ATOM 0 HG2 LYS A 12 -6.114 -10.653 34.434 1.00 1.23 H new ATOM 0 HG3 LYS A 12 -7.609 -9.798 34.111 1.00 1.23 H new ATOM 0 HD2 LYS A 12 -6.098 -8.146 32.705 1.00 1.67 H new ATOM 0 HD3 LYS A 12 -4.904 -9.427 32.762 1.00 1.67 H new ATOM 0 HE2 LYS A 12 -6.142 -9.891 30.768 1.00 1.86 H new ATOM 0 HE3 LYS A 12 -6.801 -11.017 31.938 1.00 1.86 H new ATOM 0 HZ1 LYS A 12 -8.412 -9.562 30.569 1.00 2.61 H new ATOM 0 HZ2 LYS A 12 -8.708 -9.743 32.231 1.00 2.61 H new ATOM 0 HZ3 LYS A 12 -7.991 -8.320 31.647 1.00 2.61 H new ATOM 189 N ARG A 13 -6.871 -5.555 36.128 1.00 1.04 N ATOM 190 CA ARG A 13 -6.396 -4.424 36.964 1.00 1.13 C ATOM 191 C ARG A 13 -7.376 -3.252 36.864 1.00 1.00 C ATOM 192 O ARG A 13 -7.894 -2.929 35.810 1.00 0.84 O ATOM 193 CB ARG A 13 -5.010 -3.968 36.465 1.00 1.24 C ATOM 194 CG ARG A 13 -3.912 -4.518 37.393 1.00 1.37 C ATOM 195 CD ARG A 13 -3.645 -3.525 38.529 1.00 1.48 C ATOM 196 NE ARG A 13 -4.754 -3.599 39.527 1.00 1.63 N ATOM 197 CZ ARG A 13 -5.133 -2.531 40.179 1.00 1.65 C ATOM 198 NH1 ARG A 13 -4.539 -1.387 39.969 1.00 1.64 N ATOM 199 NH2 ARG A 13 -6.105 -2.610 41.046 1.00 2.04 N ATOM 0 H ARG A 13 -7.088 -5.318 35.160 1.00 1.04 H new ATOM 0 HA ARG A 13 -6.329 -4.750 38.002 1.00 1.13 H new ATOM 0 HB2 ARG A 13 -4.847 -4.319 35.446 1.00 1.24 H new ATOM 0 HB3 ARG A 13 -4.964 -2.879 36.438 1.00 1.24 H new ATOM 0 HG2 ARG A 13 -4.219 -5.480 37.804 1.00 1.37 H new ATOM 0 HG3 ARG A 13 -2.997 -4.690 36.826 1.00 1.37 H new ATOM 0 HD2 ARG A 13 -2.694 -3.753 39.009 1.00 1.48 H new ATOM 0 HD3 ARG A 13 -3.567 -2.513 38.131 1.00 1.48 H new ATOM 0 HE ARG A 13 -5.219 -4.490 39.701 1.00 1.63 H new ATOM 0 HH11 ARG A 13 -3.777 -1.325 39.294 1.00 1.64 H new ATOM 0 HH12 ARG A 13 -4.838 -0.556 40.480 1.00 1.64 H new ATOM 0 HH21 ARG A 13 -6.567 -3.504 41.214 1.00 2.04 H new ATOM 0 HH22 ARG A 13 -6.402 -1.778 41.556 1.00 2.04 H new ATOM 213 N SER A 14 -7.617 -2.587 37.942 1.00 1.08 N ATOM 214 CA SER A 14 -8.530 -1.418 37.867 1.00 0.98 C ATOM 215 C SER A 14 -7.928 -0.435 36.884 1.00 0.93 C ATOM 216 O SER A 14 -8.635 0.279 36.205 1.00 0.81 O ATOM 217 CB SER A 14 -8.661 -0.748 39.234 1.00 1.14 C ATOM 218 OG SER A 14 -9.557 0.354 39.140 1.00 1.27 O ATOM 0 H SER A 14 -7.231 -2.792 38.864 1.00 1.08 H new ATOM 0 HA SER A 14 -9.522 -1.740 37.550 1.00 0.98 H new ATOM 0 HB2 SER A 14 -9.026 -1.465 39.969 1.00 1.14 H new ATOM 0 HB3 SER A 14 -7.685 -0.408 39.579 1.00 1.14 H new ATOM 0 HG SER A 14 -9.642 0.782 40.017 1.00 1.27 H new ATOM 224 N SER A 15 -6.613 -0.369 36.826 1.00 1.07 N ATOM 225 CA SER A 15 -5.963 0.595 35.916 1.00 1.09 C ATOM 226 C SER A 15 -6.351 0.276 34.477 1.00 0.96 C ATOM 227 O SER A 15 -6.802 1.130 33.739 1.00 0.95 O ATOM 228 CB SER A 15 -4.447 0.492 36.061 1.00 1.31 C ATOM 229 OG SER A 15 -4.049 -0.849 35.795 1.00 1.48 O ATOM 0 H SER A 15 -5.976 -0.947 37.375 1.00 1.07 H new ATOM 0 HA SER A 15 -6.287 1.605 36.169 1.00 1.09 H new ATOM 0 HB2 SER A 15 -3.955 1.176 35.369 1.00 1.31 H new ATOM 0 HB3 SER A 15 -4.144 0.783 37.067 1.00 1.31 H new ATOM 0 HG SER A 15 -3.076 -0.925 35.884 1.00 1.48 H new ATOM 235 N THR A 16 -6.178 -0.953 34.069 1.00 0.90 N ATOM 236 CA THR A 16 -6.530 -1.341 32.678 1.00 0.80 C ATOM 237 C THR A 16 -8.007 -1.032 32.457 1.00 0.60 C ATOM 238 O THR A 16 -8.411 -0.594 31.394 1.00 0.59 O ATOM 239 CB THR A 16 -6.251 -2.834 32.520 1.00 0.78 C ATOM 240 OG1 THR A 16 -5.834 -3.363 33.769 1.00 0.95 O ATOM 241 CG2 THR A 16 -5.155 -3.054 31.487 1.00 0.81 C ATOM 0 H THR A 16 -5.805 -1.707 34.646 1.00 0.90 H new ATOM 0 HA THR A 16 -5.943 -0.791 31.943 1.00 0.80 H new ATOM 0 HB THR A 16 -7.159 -3.337 32.187 1.00 0.78 H new ATOM 0 HG1 THR A 16 -6.587 -3.353 34.396 1.00 0.95 H new ATOM 0 HG21 THR A 16 -4.963 -4.122 31.382 1.00 0.81 H new ATOM 0 HG22 THR A 16 -5.472 -2.646 30.527 1.00 0.81 H new ATOM 0 HG23 THR A 16 -4.243 -2.552 31.811 1.00 0.81 H new ATOM 249 N LEU A 17 -8.815 -1.216 33.464 1.00 0.51 N ATOM 250 CA LEU A 17 -10.252 -0.883 33.319 1.00 0.35 C ATOM 251 C LEU A 17 -10.354 0.632 33.230 1.00 0.36 C ATOM 252 O LEU A 17 -11.125 1.161 32.463 1.00 0.33 O ATOM 253 CB LEU A 17 -11.040 -1.398 34.536 1.00 0.41 C ATOM 254 CG LEU A 17 -12.399 -0.695 34.652 1.00 0.42 C ATOM 255 CD1 LEU A 17 -13.257 -1.007 33.423 1.00 0.38 C ATOM 256 CD2 LEU A 17 -13.117 -1.206 35.904 1.00 0.62 C ATOM 0 H LEU A 17 -8.540 -1.581 34.376 1.00 0.51 H new ATOM 0 HA LEU A 17 -10.671 -1.351 32.428 1.00 0.35 H new ATOM 0 HB2 LEU A 17 -11.190 -2.474 34.447 1.00 0.41 H new ATOM 0 HB3 LEU A 17 -10.462 -1.231 35.445 1.00 0.41 H new ATOM 0 HG LEU A 17 -12.244 0.382 34.718 1.00 0.42 H new ATOM 0 HD11 LEU A 17 -14.220 -0.504 33.514 1.00 0.38 H new ATOM 0 HD12 LEU A 17 -12.748 -0.656 32.525 1.00 0.38 H new ATOM 0 HD13 LEU A 17 -13.415 -2.083 33.353 1.00 0.38 H new ATOM 0 HD21 LEU A 17 -14.084 -0.712 35.996 1.00 0.62 H new ATOM 0 HD22 LEU A 17 -13.265 -2.283 35.824 1.00 0.62 H new ATOM 0 HD23 LEU A 17 -12.513 -0.987 36.785 1.00 0.62 H new ATOM 268 N SER A 18 -9.587 1.339 34.016 1.00 0.47 N ATOM 269 CA SER A 18 -9.647 2.817 33.965 1.00 0.49 C ATOM 270 C SER A 18 -9.450 3.283 32.524 1.00 0.57 C ATOM 271 O SER A 18 -10.229 4.058 32.019 1.00 0.57 O ATOM 272 CB SER A 18 -8.542 3.391 34.852 0.50 0.65 C ATOM 273 OG SER A 18 -8.738 4.790 35.018 1.00 0.74 O ATOM 0 H SER A 18 -8.924 0.952 34.688 1.00 0.47 H new ATOM 0 HA SER A 18 -10.617 3.163 34.323 1.00 0.49 H new ATOM 0 HB2 SER A 18 -8.548 2.896 35.823 0.50 0.65 H new ATOM 0 HB3 SER A 18 -7.567 3.201 34.403 0.50 0.65 H new ATOM 0 HG SER A 18 -8.029 5.154 35.588 1.00 0.74 H new ATOM 279 N THR A 19 -8.431 2.815 31.847 1.00 0.70 N ATOM 280 CA THR A 19 -8.227 3.252 30.434 1.00 0.84 C ATOM 281 C THR A 19 -9.392 2.745 29.589 1.00 0.79 C ATOM 282 O THR A 19 -9.895 3.436 28.722 1.00 0.89 O ATOM 283 CB THR A 19 -6.903 2.694 29.896 1.00 0.99 C ATOM 284 OG1 THR A 19 -5.825 3.233 30.652 1.00 1.08 O ATOM 285 CG2 THR A 19 -6.737 3.081 28.421 1.00 1.20 C ATOM 0 H THR A 19 -7.740 2.157 32.207 1.00 0.70 H new ATOM 0 HA THR A 19 -8.186 4.340 30.388 1.00 0.84 H new ATOM 0 HB THR A 19 -6.906 1.607 29.983 1.00 0.99 H new ATOM 0 HG1 THR A 19 -4.977 2.877 30.312 1.00 1.08 H new ATOM 0 HG21 THR A 19 -5.795 2.682 28.044 1.00 1.20 H new ATOM 0 HG22 THR A 19 -7.563 2.669 27.842 1.00 1.20 H new ATOM 0 HG23 THR A 19 -6.734 4.167 28.328 1.00 1.20 H new ATOM 293 N HIS A 20 -9.853 1.557 29.863 1.00 0.68 N ATOM 294 CA HIS A 20 -11.011 1.022 29.101 1.00 0.68 C ATOM 295 C HIS A 20 -12.215 1.952 29.339 1.00 0.66 C ATOM 296 O HIS A 20 -12.965 2.303 28.426 1.00 0.80 O ATOM 297 CB HIS A 20 -11.316 -0.397 29.598 1.00 0.57 C ATOM 298 CG HIS A 20 -12.510 -0.930 28.872 1.00 0.59 C ATOM 299 ND1 HIS A 20 -12.412 -1.736 27.727 1.00 0.72 N ATOM 300 CD2 HIS A 20 -13.841 -0.725 29.076 1.00 0.58 C ATOM 301 CE1 HIS A 20 -13.671 -1.966 27.285 1.00 0.78 C ATOM 302 NE2 HIS A 20 -14.541 -1.367 28.078 1.00 0.72 N ATOM 0 H HIS A 20 -9.478 0.936 30.580 1.00 0.68 H new ATOM 0 HA HIS A 20 -10.794 0.980 28.034 1.00 0.68 H new ATOM 0 HB2 HIS A 20 -10.456 -1.045 29.432 1.00 0.57 H new ATOM 0 HB3 HIS A 20 -11.504 -0.386 30.672 1.00 0.57 H new ATOM 0 HD1 HIS A 20 -11.551 -2.084 27.306 1.00 0.72 H new ATOM 0 HD2 HIS A 20 -14.275 -0.155 29.884 1.00 0.58 H new ATOM 0 HE1 HIS A 20 -13.926 -2.552 26.414 1.00 0.78 H new ATOM 310 N LEU A 21 -12.399 2.383 30.558 1.00 0.53 N ATOM 311 CA LEU A 21 -13.530 3.293 30.843 1.00 0.56 C ATOM 312 C LEU A 21 -13.294 4.559 30.038 1.00 0.70 C ATOM 313 O LEU A 21 -14.203 5.176 29.519 1.00 0.82 O ATOM 314 CB LEU A 21 -13.575 3.635 32.333 1.00 0.44 C ATOM 315 CG LEU A 21 -14.134 2.438 33.106 1.00 0.42 C ATOM 316 CD1 LEU A 21 -13.957 2.674 34.605 1.00 0.43 C ATOM 317 CD2 LEU A 21 -15.626 2.256 32.789 1.00 0.61 C ATOM 0 H LEU A 21 -11.816 2.143 31.360 1.00 0.53 H new ATOM 0 HA LEU A 21 -14.476 2.823 30.576 1.00 0.56 H new ATOM 0 HB2 LEU A 21 -12.576 3.881 32.692 1.00 0.44 H new ATOM 0 HB3 LEU A 21 -14.199 4.514 32.498 1.00 0.44 H new ATOM 0 HG LEU A 21 -13.595 1.538 32.809 1.00 0.42 H new ATOM 0 HD11 LEU A 21 -14.355 1.822 35.157 1.00 0.43 H new ATOM 0 HD12 LEU A 21 -12.897 2.791 34.832 1.00 0.43 H new ATOM 0 HD13 LEU A 21 -14.492 3.577 34.897 1.00 0.43 H new ATOM 0 HD21 LEU A 21 -16.014 1.402 33.344 1.00 0.61 H new ATOM 0 HD22 LEU A 21 -16.172 3.154 33.078 1.00 0.61 H new ATOM 0 HD23 LEU A 21 -15.752 2.082 31.720 1.00 0.61 H new ATOM 329 N LEU A 22 -12.041 4.930 29.908 1.00 0.73 N ATOM 330 CA LEU A 22 -11.728 6.128 29.112 1.00 0.90 C ATOM 331 C LEU A 22 -12.105 5.835 27.673 1.00 1.03 C ATOM 332 O LEU A 22 -12.495 6.729 26.953 1.00 1.16 O ATOM 333 CB LEU A 22 -10.247 6.516 29.196 1.00 0.97 C ATOM 334 CG LEU A 22 -9.812 6.630 30.657 1.00 0.86 C ATOM 335 CD1 LEU A 22 -8.388 7.184 30.717 1.00 1.00 C ATOM 336 CD2 LEU A 22 -10.756 7.560 31.431 1.00 0.78 C ATOM 0 H LEU A 22 -11.239 4.452 30.319 1.00 0.73 H new ATOM 0 HA LEU A 22 -12.293 6.972 29.508 1.00 0.90 H new ATOM 0 HB2 LEU A 22 -9.639 5.770 28.685 1.00 0.97 H new ATOM 0 HB3 LEU A 22 -10.083 7.465 28.685 1.00 0.97 H new ATOM 0 HG LEU A 22 -9.847 5.641 31.113 1.00 0.86 H new ATOM 0 HD11 LEU A 22 -8.073 7.267 31.757 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -7.713 6.512 30.187 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -8.361 8.169 30.250 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -10.430 7.628 32.469 1.00 0.78 H new ATOM 0 HD22 LEU A 22 -10.740 8.552 30.980 1.00 0.78 H new ATOM 0 HD23 LEU A 22 -11.770 7.161 31.395 1.00 0.78 H new ATOM 348 N ILE A 23 -12.040 4.599 27.217 1.00 1.02 N ATOM 349 CA ILE A 23 -12.460 4.345 25.818 1.00 1.15 C ATOM 350 C ILE A 23 -13.907 4.772 25.716 1.00 1.22 C ATOM 351 O ILE A 23 -14.311 5.408 24.760 1.00 1.38 O ATOM 352 CB ILE A 23 -12.338 2.860 25.478 1.00 1.09 C ATOM 353 CG1 ILE A 23 -10.865 2.467 25.454 1.00 1.26 C ATOM 354 CG2 ILE A 23 -12.992 2.588 24.118 1.00 0.98 C ATOM 355 CD1 ILE A 23 -10.729 0.974 25.164 1.00 1.33 C ATOM 0 H ILE A 23 -11.723 3.786 27.744 1.00 1.02 H new ATOM 0 HA ILE A 23 -11.828 4.896 25.122 1.00 1.15 H new ATOM 0 HB ILE A 23 -12.849 2.264 26.234 1.00 1.09 H new ATOM 0 HG12 ILE A 23 -10.338 3.043 24.693 1.00 1.26 H new ATOM 0 HG13 ILE A 23 -10.401 2.704 26.411 1.00 1.26 H new ATOM 0 HG21 ILE A 23 -12.904 1.529 23.877 1.00 0.98 H new ATOM 0 HG22 ILE A 23 -14.046 2.864 24.159 1.00 0.98 H new ATOM 0 HG23 ILE A 23 -12.492 3.177 23.349 1.00 0.98 H new ATOM 0 HD11 ILE A 23 -9.674 0.701 25.148 1.00 1.33 H new ATOM 0 HD12 ILE A 23 -11.240 0.405 25.940 1.00 1.33 H new ATOM 0 HD13 ILE A 23 -11.176 0.749 24.196 1.00 1.33 H new ATOM 367 N HIS A 24 -14.690 4.486 26.721 1.00 1.11 N ATOM 368 CA HIS A 24 -16.106 4.952 26.673 1.00 1.19 C ATOM 369 C HIS A 24 -16.152 6.470 26.895 1.00 1.20 C ATOM 370 O HIS A 24 -16.620 7.201 26.048 1.00 1.29 O ATOM 371 CB HIS A 24 -16.937 4.248 27.744 1.00 1.11 C ATOM 372 CG HIS A 24 -17.019 2.788 27.418 1.00 1.11 C ATOM 373 ND1 HIS A 24 -17.459 2.323 26.175 1.00 1.29 N ATOM 374 CD2 HIS A 24 -16.673 1.675 28.139 1.00 0.96 C ATOM 375 CE1 HIS A 24 -17.356 0.980 26.184 1.00 1.23 C ATOM 376 NE2 HIS A 24 -16.893 0.565 27.354 1.00 1.03 N ATOM 0 H HIS A 24 -14.420 3.963 27.554 1.00 1.11 H new ATOM 0 HA HIS A 24 -16.524 4.712 25.695 1.00 1.19 H new ATOM 0 HB2 HIS A 24 -16.484 4.390 28.725 1.00 1.11 H new ATOM 0 HB3 HIS A 24 -17.937 4.680 27.789 1.00 1.11 H new ATOM 0 HD1 HIS A 24 -17.797 2.896 25.402 1.00 1.29 H new ATOM 0 HD2 HIS A 24 -16.293 1.669 29.150 1.00 0.96 H new ATOM 0 HE1 HIS A 24 -17.614 0.335 25.357 1.00 1.23 H new ATOM 384 N SER A 25 -15.695 6.956 28.025 1.00 1.12 N ATOM 385 CA SER A 25 -15.737 8.428 28.307 1.00 1.15 C ATOM 386 C SER A 25 -14.896 9.234 27.305 1.00 1.13 C ATOM 387 O SER A 25 -14.861 10.449 27.350 1.00 1.12 O ATOM 388 CB SER A 25 -15.138 8.635 29.697 1.00 1.14 C ATOM 389 OG SER A 25 -15.827 7.814 30.631 1.00 1.63 O ATOM 0 H SER A 25 -15.291 6.391 28.771 1.00 1.12 H new ATOM 0 HA SER A 25 -16.769 8.771 28.233 1.00 1.15 H new ATOM 0 HB2 SER A 25 -14.077 8.386 29.689 1.00 1.14 H new ATOM 0 HB3 SER A 25 -15.217 9.682 29.988 1.00 1.14 H new ATOM 0 HG SER A 25 -15.445 7.943 31.524 1.00 1.63 H new ATOM 395 N ASP A 26 -14.178 8.575 26.435 1.00 1.16 N ATOM 396 CA ASP A 26 -13.294 9.301 25.473 1.00 1.18 C ATOM 397 C ASP A 26 -12.546 10.411 26.218 1.00 1.18 C ATOM 398 O ASP A 26 -12.723 11.584 25.944 1.00 1.24 O ATOM 399 CB ASP A 26 -14.114 9.910 24.334 1.00 1.14 C ATOM 400 CG ASP A 26 -14.894 8.811 23.611 1.00 1.21 C ATOM 401 OD1 ASP A 26 -14.289 7.809 23.267 1.00 1.14 O ATOM 402 OD2 ASP A 26 -16.087 8.987 23.421 1.00 1.45 O ATOM 0 H ASP A 26 -14.165 7.559 26.348 1.00 1.16 H new ATOM 0 HA ASP A 26 -12.584 8.593 25.045 1.00 1.18 H new ATOM 0 HB2 ASP A 26 -14.802 10.657 24.729 1.00 1.14 H new ATOM 0 HB3 ASP A 26 -13.455 10.422 23.633 1.00 1.14 H new ATOM 407 N THR A 27 -11.718 10.048 27.169 1.00 1.13 N ATOM 408 CA THR A 27 -10.960 11.072 27.946 1.00 1.12 C ATOM 409 C THR A 27 -9.544 11.182 27.388 1.00 1.04 C ATOM 410 O THR A 27 -8.749 10.271 27.508 1.00 1.05 O ATOM 411 CB THR A 27 -10.903 10.640 29.418 1.00 1.19 C ATOM 412 OG1 THR A 27 -12.133 10.018 29.769 1.00 1.22 O ATOM 413 CG2 THR A 27 -10.674 11.860 30.311 1.00 1.21 C ATOM 0 H THR A 27 -11.536 9.081 27.439 1.00 1.13 H new ATOM 0 HA THR A 27 -11.454 12.040 27.868 1.00 1.12 H new ATOM 0 HB THR A 27 -10.081 9.938 29.558 1.00 1.19 H new ATOM 0 HG1 THR A 27 -12.315 10.166 30.721 1.00 1.22 H new ATOM 0 HG21 THR A 27 -10.635 11.545 31.354 1.00 1.21 H new ATOM 0 HG22 THR A 27 -9.732 12.337 30.040 1.00 1.21 H new ATOM 0 HG23 THR A 27 -11.492 12.568 30.176 1.00 1.21 H new ATOM 421 N ARG A 28 -9.227 12.286 26.767 1.00 0.97 N ATOM 422 CA ARG A 28 -7.865 12.448 26.181 1.00 0.89 C ATOM 423 C ARG A 28 -7.208 13.726 26.713 1.00 0.91 C ATOM 424 O ARG A 28 -7.181 14.738 26.045 1.00 0.95 O ATOM 425 CB ARG A 28 -7.983 12.523 24.653 1.00 0.87 C ATOM 426 CG ARG A 28 -8.212 11.118 24.065 1.00 0.88 C ATOM 427 CD ARG A 28 -9.712 10.821 23.959 1.00 0.84 C ATOM 428 NE ARG A 28 -9.906 9.403 23.534 1.00 0.73 N ATOM 429 CZ ARG A 28 -9.902 8.442 24.420 1.00 0.56 C ATOM 430 NH1 ARG A 28 -9.754 8.720 25.687 1.00 0.81 N ATOM 431 NH2 ARG A 28 -10.051 7.202 24.038 1.00 0.89 N ATOM 0 H ARG A 28 -9.852 13.082 26.640 1.00 0.97 H new ATOM 0 HA ARG A 28 -7.247 11.595 26.463 1.00 0.89 H new ATOM 0 HB2 ARG A 28 -8.808 13.179 24.377 1.00 0.87 H new ATOM 0 HB3 ARG A 28 -7.076 12.957 24.232 1.00 0.87 H new ATOM 0 HG2 ARG A 28 -7.751 11.050 23.080 1.00 0.88 H new ATOM 0 HG3 ARG A 28 -7.730 10.370 24.695 1.00 0.88 H new ATOM 0 HD2 ARG A 28 -10.197 10.994 24.919 1.00 0.84 H new ATOM 0 HD3 ARG A 28 -10.178 11.495 23.240 1.00 0.84 H new ATOM 0 HE ARG A 28 -10.042 9.183 22.547 1.00 0.73 H new ATOM 0 HH11 ARG A 28 -9.641 9.688 25.987 1.00 0.81 H new ATOM 0 HH12 ARG A 28 -9.751 7.969 26.377 1.00 0.81 H new ATOM 0 HH21 ARG A 28 -10.170 6.984 23.049 1.00 0.89 H new ATOM 0 HH22 ARG A 28 -10.048 6.452 24.729 1.00 0.89 H new ATOM 445 N PRO A 29 -6.682 13.675 27.915 1.00 0.93 N ATOM 446 CA PRO A 29 -6.009 14.842 28.548 1.00 0.98 C ATOM 447 C PRO A 29 -4.582 15.054 28.019 1.00 0.85 C ATOM 448 O PRO A 29 -3.823 15.843 28.548 1.00 0.90 O ATOM 449 CB PRO A 29 -5.989 14.475 30.039 1.00 1.10 C ATOM 450 CG PRO A 29 -5.990 12.981 30.081 1.00 1.08 C ATOM 451 CD PRO A 29 -6.669 12.494 28.794 1.00 0.96 C ATOM 0 HA PRO A 29 -6.526 15.777 28.335 1.00 0.98 H new ATOM 0 HB2 PRO A 29 -5.106 14.881 30.532 1.00 1.10 H new ATOM 0 HB3 PRO A 29 -6.858 14.883 30.556 1.00 1.10 H new ATOM 0 HG2 PRO A 29 -4.972 12.597 30.149 1.00 1.08 H new ATOM 0 HG3 PRO A 29 -6.526 12.621 30.959 1.00 1.08 H new ATOM 0 HD2 PRO A 29 -6.118 11.669 28.342 1.00 0.96 H new ATOM 0 HD3 PRO A 29 -7.679 12.134 28.990 1.00 0.96 H new ATOM 459 N TYR A 30 -4.208 14.336 26.985 1.00 0.72 N ATOM 460 CA TYR A 30 -2.830 14.479 26.425 1.00 0.62 C ATOM 461 C TYR A 30 -2.916 14.974 24.989 1.00 0.56 C ATOM 462 O TYR A 30 -2.905 14.194 24.055 1.00 0.51 O ATOM 463 CB TYR A 30 -2.129 13.121 26.445 1.00 0.59 C ATOM 464 CG TYR A 30 -1.802 12.760 27.870 1.00 0.62 C ATOM 465 CD1 TYR A 30 -0.843 13.500 28.571 1.00 0.69 C ATOM 466 CD2 TYR A 30 -2.460 11.694 28.493 1.00 0.63 C ATOM 467 CE1 TYR A 30 -0.541 13.173 29.896 1.00 0.75 C ATOM 468 CE2 TYR A 30 -2.158 11.366 29.817 1.00 0.68 C ATOM 469 CZ TYR A 30 -1.199 12.104 30.520 1.00 0.73 C ATOM 470 OH TYR A 30 -0.895 11.777 31.824 1.00 0.80 O ATOM 0 H TYR A 30 -4.800 13.657 26.506 1.00 0.72 H new ATOM 0 HA TYR A 30 -2.267 15.192 27.027 1.00 0.62 H new ATOM 0 HB2 TYR A 30 -2.770 12.360 26.001 1.00 0.59 H new ATOM 0 HB3 TYR A 30 -1.218 13.158 25.847 1.00 0.59 H new ATOM 0 HD1 TYR A 30 -0.337 14.323 28.089 1.00 0.69 H new ATOM 0 HD2 TYR A 30 -3.201 11.125 27.951 1.00 0.63 H new ATOM 0 HE1 TYR A 30 0.199 13.743 30.438 1.00 0.75 H new ATOM 0 HE2 TYR A 30 -2.665 10.543 30.298 1.00 0.68 H new ATOM 0 HH TYR A 30 -1.441 11.013 32.106 1.00 0.80 H new ATOM 480 N PRO A 31 -3.013 16.262 24.807 1.00 0.61 N ATOM 481 CA PRO A 31 -3.113 16.866 23.458 1.00 0.57 C ATOM 482 C PRO A 31 -1.758 17.058 22.792 1.00 0.49 C ATOM 483 O PRO A 31 -0.774 17.364 23.431 1.00 0.54 O ATOM 484 CB PRO A 31 -3.750 18.223 23.724 0.50 0.69 C ATOM 485 CG PRO A 31 -3.299 18.599 25.096 0.50 0.85 C ATOM 486 CD PRO A 31 -3.038 17.290 25.860 0.50 0.76 C ATOM 0 HA PRO A 31 -3.678 16.227 22.779 1.00 0.57 H new ATOM 0 HB2 PRO A 31 -3.430 18.960 22.988 0.50 0.69 H new ATOM 0 HB3 PRO A 31 -4.837 18.167 23.667 0.50 0.69 H new ATOM 0 HG2 PRO A 31 -2.395 19.206 25.052 0.50 0.85 H new ATOM 0 HG3 PRO A 31 -4.059 19.195 25.601 0.50 0.85 H new ATOM 0 HD2 PRO A 31 -2.094 17.327 26.404 0.50 0.76 H new ATOM 0 HD3 PRO A 31 -3.821 17.092 26.592 0.50 0.76 H new ATOM 494 N CYS A 32 -1.693 16.859 21.514 1.00 0.41 N ATOM 495 CA CYS A 32 -0.392 17.018 20.820 1.00 0.38 C ATOM 496 C CYS A 32 0.033 18.479 20.850 1.00 0.47 C ATOM 497 O CYS A 32 -0.781 19.379 20.901 1.00 0.51 O ATOM 498 CB CYS A 32 -0.505 16.542 19.374 1.00 0.33 C ATOM 499 SG CYS A 32 0.465 17.598 18.258 1.00 0.34 S ATOM 0 H CYS A 32 -2.479 16.594 20.920 1.00 0.41 H new ATOM 0 HA CYS A 32 0.357 16.415 21.333 1.00 0.38 H new ATOM 0 HB2 CYS A 32 -0.156 15.512 19.299 1.00 0.33 H new ATOM 0 HB3 CYS A 32 -1.551 16.548 19.067 1.00 0.33 H new ATOM 0 HG CYS A 32 1.054 16.860 17.365 1.00 0.34 H new ATOM 504 N GLN A 33 1.315 18.714 20.861 1.00 0.53 N ATOM 505 CA GLN A 33 1.810 20.108 20.923 1.00 0.64 C ATOM 506 C GLN A 33 1.938 20.719 19.538 1.00 0.63 C ATOM 507 O GLN A 33 1.909 21.926 19.417 1.00 0.73 O ATOM 508 CB GLN A 33 3.182 20.167 21.614 1.00 0.72 C ATOM 509 CG GLN A 33 3.748 18.762 21.828 1.00 0.52 C ATOM 510 CD GLN A 33 5.140 18.896 22.456 1.00 0.72 C ATOM 511 OE1 GLN A 33 5.778 19.924 22.329 1.00 1.23 O ATOM 512 NE2 GLN A 33 5.642 17.908 23.146 1.00 1.31 N ATOM 0 H GLN A 33 2.039 17.996 20.830 1.00 0.53 H new ATOM 0 HA GLN A 33 1.079 20.678 21.497 1.00 0.64 H new ATOM 0 HB2 GLN A 33 3.873 20.753 21.009 1.00 0.72 H new ATOM 0 HB3 GLN A 33 3.088 20.675 22.574 1.00 0.72 H new ATOM 0 HG2 GLN A 33 3.092 18.183 22.478 1.00 0.52 H new ATOM 0 HG3 GLN A 33 3.809 18.228 20.880 1.00 0.52 H new ATOM 0 HE21 GLN A 33 5.113 17.043 23.257 1.00 1.31 H new ATOM 0 HE22 GLN A 33 6.563 18.001 23.574 1.00 1.31 H new ATOM 521 N TYR A 34 2.081 19.956 18.482 1.00 0.55 N ATOM 522 CA TYR A 34 2.218 20.635 17.157 1.00 0.58 C ATOM 523 C TYR A 34 0.915 20.568 16.362 1.00 0.54 C ATOM 524 O TYR A 34 0.269 21.577 16.150 1.00 0.61 O ATOM 525 CB TYR A 34 3.365 20.021 16.359 1.00 0.54 C ATOM 526 CG TYR A 34 4.549 19.805 17.275 1.00 0.58 C ATOM 527 CD1 TYR A 34 4.565 18.701 18.134 1.00 0.70 C ATOM 528 CD2 TYR A 34 5.627 20.704 17.270 1.00 0.53 C ATOM 529 CE1 TYR A 34 5.654 18.494 18.988 1.00 0.76 C ATOM 530 CE2 TYR A 34 6.718 20.495 18.125 1.00 0.57 C ATOM 531 CZ TYR A 34 6.729 19.389 18.984 1.00 0.68 C ATOM 532 OH TYR A 34 7.803 19.181 19.825 1.00 0.75 O ATOM 0 H TYR A 34 2.108 18.936 18.475 1.00 0.55 H new ATOM 0 HA TYR A 34 2.443 21.686 17.340 1.00 0.58 H new ATOM 0 HB2 TYR A 34 3.052 19.074 15.920 1.00 0.54 H new ATOM 0 HB3 TYR A 34 3.643 20.678 15.535 1.00 0.54 H new ATOM 0 HD1 TYR A 34 3.737 18.008 18.138 1.00 0.70 H new ATOM 0 HD2 TYR A 34 5.616 21.557 16.607 1.00 0.53 H new ATOM 0 HE1 TYR A 34 5.665 17.642 19.651 1.00 0.76 H new ATOM 0 HE2 TYR A 34 7.548 21.186 18.121 1.00 0.57 H new ATOM 0 HH TYR A 34 8.463 19.894 19.696 1.00 0.75 H new ATOM 542 N CYS A 35 0.522 19.415 15.887 1.00 0.46 N ATOM 543 CA CYS A 35 -0.742 19.358 15.078 1.00 0.45 C ATOM 544 C CYS A 35 -1.998 19.321 15.980 1.00 0.45 C ATOM 545 O CYS A 35 -3.044 19.781 15.572 1.00 0.51 O ATOM 546 CB CYS A 35 -0.709 18.188 14.082 1.00 0.41 C ATOM 547 SG CYS A 35 -0.939 16.608 14.914 1.00 0.34 S ATOM 0 H CYS A 35 1.005 18.526 16.017 1.00 0.46 H new ATOM 0 HA CYS A 35 -0.805 20.277 14.495 1.00 0.45 H new ATOM 0 HB2 CYS A 35 -1.490 18.324 13.334 1.00 0.41 H new ATOM 0 HB3 CYS A 35 0.244 18.186 13.552 1.00 0.41 H new ATOM 0 HG CYS A 35 -0.511 16.696 16.138 1.00 0.34 H new ATOM 552 N GLY A 36 -1.904 18.885 17.223 1.00 0.43 N ATOM 553 CA GLY A 36 -3.111 18.967 18.133 1.00 0.50 C ATOM 554 C GLY A 36 -3.885 17.649 18.371 1.00 0.46 C ATOM 555 O GLY A 36 -4.812 17.648 19.151 1.00 0.54 O ATOM 0 H GLY A 36 -1.065 18.484 17.642 1.00 0.43 H new ATOM 0 HA2 GLY A 36 -2.784 19.350 19.100 1.00 0.50 H new ATOM 0 HA3 GLY A 36 -3.803 19.699 17.717 1.00 0.50 H new ATOM 559 N LYS A 37 -3.579 16.541 17.761 1.00 0.39 N ATOM 560 CA LYS A 37 -4.413 15.323 18.073 1.00 0.42 C ATOM 561 C LYS A 37 -4.565 15.208 19.605 1.00 0.45 C ATOM 562 O LYS A 37 -3.757 15.724 20.347 1.00 0.45 O ATOM 563 CB LYS A 37 -3.776 14.058 17.481 1.00 0.41 C ATOM 564 CG LYS A 37 -4.203 13.950 16.012 1.00 0.52 C ATOM 565 CD LYS A 37 -3.632 12.691 15.346 1.00 0.66 C ATOM 566 CE LYS A 37 -3.792 12.819 13.824 1.00 0.89 C ATOM 567 NZ LYS A 37 -2.725 13.713 13.292 1.00 1.38 N ATOM 0 H LYS A 37 -2.824 16.414 17.087 1.00 0.39 H new ATOM 0 HA LYS A 37 -5.399 15.427 17.619 1.00 0.42 H new ATOM 0 HB2 LYS A 37 -2.690 14.107 17.559 1.00 0.41 H new ATOM 0 HB3 LYS A 37 -4.096 13.176 18.036 1.00 0.41 H new ATOM 0 HG2 LYS A 37 -5.291 13.933 15.950 1.00 0.52 H new ATOM 0 HG3 LYS A 37 -3.866 14.833 15.469 1.00 0.52 H new ATOM 0 HD2 LYS A 37 -2.580 12.571 15.606 1.00 0.66 H new ATOM 0 HD3 LYS A 37 -4.153 11.804 15.707 1.00 0.66 H new ATOM 0 HE2 LYS A 37 -3.727 11.837 13.356 1.00 0.89 H new ATOM 0 HE3 LYS A 37 -4.775 13.223 13.582 1.00 0.89 H new ATOM 0 HZ1 LYS A 37 -2.654 13.594 12.261 1.00 1.38 H new ATOM 0 HZ2 LYS A 37 -2.960 14.702 13.511 1.00 1.38 H new ATOM 0 HZ3 LYS A 37 -1.815 13.468 13.732 1.00 1.38 H new ATOM 581 N ARG A 38 -5.589 14.534 20.077 1.00 0.54 N ATOM 582 CA ARG A 38 -5.817 14.366 21.553 1.00 0.58 C ATOM 583 C ARG A 38 -5.575 12.890 21.891 1.00 0.58 C ATOM 584 O ARG A 38 -6.213 12.017 21.329 1.00 0.63 O ATOM 585 CB ARG A 38 -7.283 14.720 21.884 1.00 0.70 C ATOM 586 CG ARG A 38 -7.610 16.153 21.429 1.00 0.73 C ATOM 587 CD ARG A 38 -7.520 17.108 22.624 1.00 0.92 C ATOM 588 NE ARG A 38 -7.457 18.516 22.134 1.00 1.13 N ATOM 589 CZ ARG A 38 -6.388 18.939 21.519 1.00 1.51 C ATOM 590 NH1 ARG A 38 -5.374 18.135 21.358 1.00 2.11 N ATOM 591 NH2 ARG A 38 -6.327 20.165 21.072 1.00 1.89 N ATOM 0 H ARG A 38 -6.291 14.084 19.490 1.00 0.54 H new ATOM 0 HA ARG A 38 -5.151 15.013 22.123 1.00 0.58 H new ATOM 0 HB2 ARG A 38 -7.953 14.015 21.392 1.00 0.70 H new ATOM 0 HB3 ARG A 38 -7.452 14.626 22.957 1.00 0.70 H new ATOM 0 HG2 ARG A 38 -6.915 16.465 20.649 1.00 0.73 H new ATOM 0 HG3 ARG A 38 -8.610 16.188 20.997 1.00 0.73 H new ATOM 0 HD2 ARG A 38 -8.385 16.977 23.274 1.00 0.92 H new ATOM 0 HD3 ARG A 38 -6.636 16.879 23.220 1.00 0.92 H new ATOM 0 HE ARG A 38 -8.247 19.145 22.280 1.00 1.13 H new ATOM 0 HH11 ARG A 38 -5.419 17.180 21.713 1.00 2.11 H new ATOM 0 HH12 ARG A 38 -4.536 18.461 20.877 1.00 2.11 H new ATOM 0 HH21 ARG A 38 -7.118 20.796 21.204 1.00 1.89 H new ATOM 0 HH22 ARG A 38 -5.489 20.492 20.591 1.00 1.89 H new ATOM 605 N PHE A 39 -4.675 12.583 22.813 1.00 0.56 N ATOM 606 CA PHE A 39 -4.418 11.155 23.162 1.00 0.59 C ATOM 607 C PHE A 39 -4.859 10.884 24.597 1.00 0.66 C ATOM 608 O PHE A 39 -5.078 11.792 25.383 1.00 0.69 O ATOM 609 CB PHE A 39 -2.914 10.884 23.069 1.00 0.52 C ATOM 610 CG PHE A 39 -2.435 11.205 21.685 1.00 0.44 C ATOM 611 CD1 PHE A 39 -2.455 10.219 20.698 1.00 0.50 C ATOM 612 CD2 PHE A 39 -1.975 12.490 21.388 1.00 0.40 C ATOM 613 CE1 PHE A 39 -2.015 10.517 19.408 1.00 0.49 C ATOM 614 CE2 PHE A 39 -1.533 12.789 20.100 1.00 0.37 C ATOM 615 CZ PHE A 39 -1.552 11.803 19.108 1.00 0.40 C ATOM 0 H PHE A 39 -4.117 13.263 23.329 1.00 0.56 H new ATOM 0 HA PHE A 39 -4.972 10.515 22.475 1.00 0.59 H new ATOM 0 HB2 PHE A 39 -2.378 11.489 23.801 1.00 0.52 H new ATOM 0 HB3 PHE A 39 -2.706 9.840 23.305 1.00 0.52 H new ATOM 0 HD1 PHE A 39 -2.811 9.226 20.932 1.00 0.50 H new ATOM 0 HD2 PHE A 39 -1.962 13.251 22.155 1.00 0.40 H new ATOM 0 HE1 PHE A 39 -2.032 9.756 18.642 1.00 0.49 H new ATOM 0 HE2 PHE A 39 -1.176 13.782 19.868 1.00 0.37 H new ATOM 0 HZ PHE A 39 -1.209 12.034 18.110 1.00 0.40 H new ATOM 625 N HIS A 40 -4.985 9.626 24.936 1.00 0.73 N ATOM 626 CA HIS A 40 -5.414 9.236 26.311 1.00 0.80 C ATOM 627 C HIS A 40 -4.222 8.754 27.144 1.00 0.76 C ATOM 628 O HIS A 40 -4.369 8.501 28.322 1.00 0.80 O ATOM 629 CB HIS A 40 -6.426 8.100 26.193 1.00 0.90 C ATOM 630 CG HIS A 40 -5.914 7.106 25.187 1.00 0.91 C ATOM 631 ND1 HIS A 40 -4.611 7.150 24.711 1.00 0.96 N ATOM 632 CD2 HIS A 40 -6.508 6.044 24.556 1.00 1.00 C ATOM 633 CE1 HIS A 40 -4.466 6.141 23.833 1.00 1.00 C ATOM 634 NE2 HIS A 40 -5.592 5.435 23.701 1.00 1.03 N ATOM 0 H HIS A 40 -4.806 8.842 24.308 1.00 0.73 H new ATOM 0 HA HIS A 40 -5.851 10.103 26.806 1.00 0.80 H new ATOM 0 HB2 HIS A 40 -6.570 7.619 27.161 1.00 0.90 H new ATOM 0 HB3 HIS A 40 -7.396 8.488 25.882 1.00 0.90 H new ATOM 0 HD2 HIS A 40 -7.531 5.727 24.700 1.00 1.00 H new ATOM 0 HE1 HIS A 40 -3.551 5.928 23.300 1.00 1.00 H new ATOM 0 HE2 HIS A 40 -5.748 4.624 23.103 1.00 1.03 H new ATOM 642 N GLN A 41 -3.049 8.607 26.571 1.00 0.69 N ATOM 643 CA GLN A 41 -1.899 8.120 27.396 1.00 0.65 C ATOM 644 C GLN A 41 -0.654 8.991 27.140 1.00 0.54 C ATOM 645 O GLN A 41 -0.177 9.077 26.024 1.00 0.51 O ATOM 646 CB GLN A 41 -1.605 6.663 27.029 1.00 0.71 C ATOM 647 CG GLN A 41 -2.839 5.807 27.321 1.00 0.80 C ATOM 648 CD GLN A 41 -2.599 4.363 26.858 1.00 0.82 C ATOM 649 OE1 GLN A 41 -1.568 4.059 26.295 1.00 0.85 O ATOM 650 NE2 GLN A 41 -3.522 3.453 27.067 1.00 1.03 N ATOM 0 H GLN A 41 -2.842 8.798 25.591 1.00 0.69 H new ATOM 0 HA GLN A 41 -2.155 8.187 28.453 1.00 0.65 H new ATOM 0 HB2 GLN A 41 -1.338 6.589 25.975 1.00 0.71 H new ATOM 0 HB3 GLN A 41 -0.752 6.298 27.600 1.00 0.71 H new ATOM 0 HG2 GLN A 41 -3.059 5.823 28.389 1.00 0.80 H new ATOM 0 HG3 GLN A 41 -3.708 6.221 26.810 1.00 0.80 H new ATOM 0 HE21 GLN A 41 -4.390 3.706 27.540 1.00 1.03 H new ATOM 0 HE22 GLN A 41 -3.371 2.493 26.756 1.00 1.03 H new ATOM 659 N LYS A 42 -0.132 9.639 28.166 1.00 0.50 N ATOM 660 CA LYS A 42 1.077 10.521 27.996 1.00 0.41 C ATOM 661 C LYS A 42 2.112 9.861 27.066 1.00 0.37 C ATOM 662 O LYS A 42 2.470 10.400 26.031 1.00 0.34 O ATOM 663 CB LYS A 42 1.730 10.767 29.371 1.00 0.42 C ATOM 664 CG LYS A 42 3.110 11.416 29.188 1.00 0.49 C ATOM 665 CD LYS A 42 3.758 11.677 30.554 1.00 0.57 C ATOM 666 CE LYS A 42 4.985 12.573 30.363 1.00 0.58 C ATOM 667 NZ LYS A 42 5.744 12.672 31.645 1.00 0.59 N ATOM 0 H LYS A 42 -0.495 9.593 29.118 1.00 0.50 H new ATOM 0 HA LYS A 42 0.754 11.464 27.554 1.00 0.41 H new ATOM 0 HB2 LYS A 42 1.093 11.412 29.975 1.00 0.42 H new ATOM 0 HB3 LYS A 42 1.831 9.824 29.909 1.00 0.42 H new ATOM 0 HG2 LYS A 42 3.750 10.765 28.592 1.00 0.49 H new ATOM 0 HG3 LYS A 42 3.010 12.353 28.640 1.00 0.49 H new ATOM 0 HD2 LYS A 42 3.044 12.155 31.224 1.00 0.57 H new ATOM 0 HD3 LYS A 42 4.049 10.735 31.018 1.00 0.57 H new ATOM 0 HE2 LYS A 42 5.626 12.166 29.581 1.00 0.58 H new ATOM 0 HE3 LYS A 42 4.675 13.565 30.036 1.00 0.58 H new ATOM 0 HZ1 LYS A 42 6.576 13.281 31.510 1.00 0.59 H new ATOM 0 HZ2 LYS A 42 5.132 13.080 32.380 1.00 0.59 H new ATOM 0 HZ3 LYS A 42 6.054 11.724 31.939 1.00 0.59 H new ATOM 681 N SER A 43 2.618 8.719 27.445 1.00 0.45 N ATOM 682 CA SER A 43 3.653 8.030 26.615 1.00 0.48 C ATOM 683 C SER A 43 3.193 7.838 25.172 1.00 0.49 C ATOM 684 O SER A 43 4.011 7.841 24.274 1.00 0.46 O ATOM 685 CB SER A 43 3.971 6.674 27.232 1.00 0.60 C ATOM 686 OG SER A 43 2.927 5.766 26.936 1.00 1.42 O ATOM 0 H SER A 43 2.358 8.228 28.301 1.00 0.45 H new ATOM 0 HA SER A 43 4.543 8.659 26.598 1.00 0.48 H new ATOM 0 HB2 SER A 43 4.917 6.298 26.842 1.00 0.60 H new ATOM 0 HB3 SER A 43 4.088 6.772 28.311 1.00 0.60 H new ATOM 0 HG SER A 43 3.131 4.893 27.331 1.00 1.42 H new ATOM 692 N ASP A 44 1.914 7.689 24.913 1.00 0.56 N ATOM 693 CA ASP A 44 1.517 7.535 23.484 1.00 0.59 C ATOM 694 C ASP A 44 1.575 8.916 22.838 1.00 0.48 C ATOM 695 O ASP A 44 2.055 9.063 21.731 1.00 0.49 O ATOM 696 CB ASP A 44 0.129 6.932 23.300 1.00 0.71 C ATOM 697 CG ASP A 44 0.118 5.512 23.865 1.00 0.81 C ATOM 698 OD1 ASP A 44 1.160 5.059 24.312 1.00 1.24 O ATOM 699 OD2 ASP A 44 -0.936 4.901 23.837 1.00 1.48 O ATOM 0 H ASP A 44 1.159 7.668 25.599 1.00 0.56 H new ATOM 0 HA ASP A 44 2.208 6.837 23.012 1.00 0.59 H new ATOM 0 HB2 ASP A 44 -0.616 7.544 23.808 1.00 0.71 H new ATOM 0 HB3 ASP A 44 -0.137 6.918 22.243 1.00 0.71 H new ATOM 704 N MET A 45 1.153 9.948 23.529 1.00 0.40 N ATOM 705 CA MET A 45 1.274 11.308 22.945 1.00 0.31 C ATOM 706 C MET A 45 2.759 11.529 22.721 1.00 0.24 C ATOM 707 O MET A 45 3.197 11.989 21.690 1.00 0.28 O ATOM 708 CB MET A 45 0.755 12.341 23.949 0.50 0.33 C ATOM 709 CG MET A 45 1.108 13.752 23.461 0.50 0.38 C ATOM 710 SD MET A 45 2.596 14.340 24.312 1.00 0.48 S ATOM 711 CE MET A 45 1.770 15.028 25.765 1.00 0.45 C ATOM 0 H MET A 45 0.736 9.903 24.459 1.00 0.40 H new ATOM 0 HA MET A 45 0.703 11.406 22.022 1.00 0.31 H new ATOM 0 HB2 MET A 45 -0.325 12.243 24.062 0.50 0.33 H new ATOM 0 HB3 MET A 45 1.195 12.163 24.930 0.50 0.33 H new ATOM 0 HG2 MET A 45 1.273 13.744 22.384 0.50 0.38 H new ATOM 0 HG3 MET A 45 0.277 14.431 23.651 0.50 0.38 H new ATOM 0 HE1 MET A 45 2.514 15.453 26.439 1.00 0.45 H new ATOM 0 HE2 MET A 45 1.075 15.808 25.453 1.00 0.45 H new ATOM 0 HE3 MET A 45 1.222 14.239 26.280 1.00 0.45 H new ATOM 721 N LYS A 46 3.538 11.212 23.712 1.00 0.24 N ATOM 722 CA LYS A 46 5.002 11.401 23.586 1.00 0.29 C ATOM 723 C LYS A 46 5.469 10.670 22.326 1.00 0.36 C ATOM 724 O LYS A 46 6.302 11.149 21.589 1.00 0.42 O ATOM 725 CB LYS A 46 5.689 10.838 24.824 1.00 0.34 C ATOM 726 CG LYS A 46 7.153 11.269 24.826 1.00 0.41 C ATOM 727 CD LYS A 46 7.860 10.712 26.060 1.00 0.73 C ATOM 728 CE LYS A 46 9.365 10.938 25.916 1.00 1.59 C ATOM 729 NZ LYS A 46 9.647 12.401 25.846 1.00 2.61 N ATOM 0 H LYS A 46 3.223 10.830 24.604 1.00 0.24 H new ATOM 0 HA LYS A 46 5.254 12.459 23.506 1.00 0.29 H new ATOM 0 HB2 LYS A 46 5.191 11.196 25.725 1.00 0.34 H new ATOM 0 HB3 LYS A 46 5.618 9.750 24.831 1.00 0.34 H new ATOM 0 HG2 LYS A 46 7.647 10.913 23.922 1.00 0.41 H new ATOM 0 HG3 LYS A 46 7.220 12.357 24.818 1.00 0.41 H new ATOM 0 HD2 LYS A 46 7.490 11.203 26.960 1.00 0.73 H new ATOM 0 HD3 LYS A 46 7.648 9.648 26.168 1.00 0.73 H new ATOM 0 HE2 LYS A 46 9.892 10.496 26.762 1.00 1.59 H new ATOM 0 HE3 LYS A 46 9.733 10.443 25.017 1.00 1.59 H new ATOM 0 HZ1 LYS A 46 10.453 12.629 26.462 1.00 2.61 H new ATOM 0 HZ2 LYS A 46 9.875 12.664 24.866 1.00 2.61 H new ATOM 0 HZ3 LYS A 46 8.810 12.931 26.161 1.00 2.61 H new ATOM 743 N LYS A 47 4.907 9.527 22.047 1.00 0.40 N ATOM 744 CA LYS A 47 5.297 8.800 20.803 1.00 0.51 C ATOM 745 C LYS A 47 4.825 9.648 19.641 1.00 0.49 C ATOM 746 O LYS A 47 5.470 9.765 18.615 1.00 0.56 O ATOM 747 CB LYS A 47 4.612 7.427 20.764 1.00 0.59 C ATOM 748 CG LYS A 47 5.304 6.488 21.758 1.00 0.67 C ATOM 749 CD LYS A 47 4.408 5.278 22.065 1.00 0.92 C ATOM 750 CE LYS A 47 4.531 4.245 20.951 1.00 1.19 C ATOM 751 NZ LYS A 47 3.632 3.091 21.248 1.00 1.55 N ATOM 0 H LYS A 47 4.200 9.066 22.620 1.00 0.40 H new ATOM 0 HA LYS A 47 6.374 8.639 20.760 1.00 0.51 H new ATOM 0 HB2 LYS A 47 3.556 7.527 21.015 1.00 0.59 H new ATOM 0 HB3 LYS A 47 4.662 7.011 19.758 1.00 0.59 H new ATOM 0 HG2 LYS A 47 6.255 6.149 21.346 1.00 0.67 H new ATOM 0 HG3 LYS A 47 5.529 7.025 22.679 1.00 0.67 H new ATOM 0 HD2 LYS A 47 4.696 4.834 23.018 1.00 0.92 H new ATOM 0 HD3 LYS A 47 3.371 5.598 22.163 1.00 0.92 H new ATOM 0 HE2 LYS A 47 4.264 4.692 19.993 1.00 1.19 H new ATOM 0 HE3 LYS A 47 5.563 3.905 20.867 1.00 1.19 H new ATOM 0 HZ1 LYS A 47 3.738 2.369 20.508 1.00 1.55 H new ATOM 0 HZ2 LYS A 47 3.885 2.682 22.170 1.00 1.55 H new ATOM 0 HZ3 LYS A 47 2.645 3.418 21.274 1.00 1.55 H new ATOM 765 N HIS A 48 3.736 10.325 19.844 1.00 0.42 N ATOM 766 CA HIS A 48 3.234 11.247 18.799 1.00 0.40 C ATOM 767 C HIS A 48 4.277 12.360 18.644 1.00 0.39 C ATOM 768 O HIS A 48 4.869 12.573 17.589 1.00 0.45 O ATOM 769 CB HIS A 48 1.892 11.810 19.277 1.00 0.36 C ATOM 770 CG HIS A 48 1.372 12.753 18.253 1.00 0.32 C ATOM 771 ND1 HIS A 48 0.609 12.338 17.153 1.00 0.39 N ATOM 772 CD2 HIS A 48 1.512 14.095 18.132 1.00 0.27 C ATOM 773 CE1 HIS A 48 0.327 13.437 16.425 1.00 0.36 C ATOM 774 NE2 HIS A 48 0.856 14.493 17.002 1.00 0.29 N ATOM 0 H HIS A 48 3.170 10.279 20.692 1.00 0.42 H new ATOM 0 HA HIS A 48 3.084 10.753 17.839 1.00 0.40 H new ATOM 0 HB2 HIS A 48 1.180 11.001 19.440 1.00 0.36 H new ATOM 0 HB3 HIS A 48 2.017 12.321 20.231 1.00 0.36 H new ATOM 0 HD1 HIS A 48 0.321 11.382 16.943 1.00 0.39 H new ATOM 0 HD2 HIS A 48 2.050 14.739 18.812 1.00 0.27 H new ATOM 0 HE1 HIS A 48 -0.245 13.448 15.509 1.00 0.36 H new ATOM 782 N THR A 49 4.521 13.072 19.702 1.00 0.35 N ATOM 783 CA THR A 49 5.515 14.165 19.673 1.00 0.40 C ATOM 784 C THR A 49 6.817 13.709 19.016 1.00 0.49 C ATOM 785 O THR A 49 7.455 14.469 18.312 1.00 0.56 O ATOM 786 CB THR A 49 5.830 14.562 21.108 1.00 0.40 C ATOM 787 OG1 THR A 49 6.268 13.412 21.812 1.00 0.45 O ATOM 788 CG2 THR A 49 4.581 15.128 21.778 1.00 0.35 C ATOM 0 H THR A 49 4.062 12.937 20.603 1.00 0.35 H new ATOM 0 HA THR A 49 5.101 14.997 19.103 1.00 0.40 H new ATOM 0 HB THR A 49 6.609 15.324 21.116 1.00 0.40 H new ATOM 0 HG1 THR A 49 6.155 12.620 21.247 1.00 0.45 H new ATOM 0 HG21 THR A 49 4.815 15.410 22.805 1.00 0.35 H new ATOM 0 HG22 THR A 49 4.240 16.006 21.229 1.00 0.35 H new ATOM 0 HG23 THR A 49 3.795 14.373 21.779 1.00 0.35 H new ATOM 796 N PHE A 50 7.231 12.485 19.222 1.00 0.52 N ATOM 797 CA PHE A 50 8.501 12.026 18.575 1.00 0.63 C ATOM 798 C PHE A 50 8.295 11.909 17.057 1.00 0.67 C ATOM 799 O PHE A 50 9.203 12.166 16.290 1.00 0.76 O ATOM 800 CB PHE A 50 8.936 10.675 19.169 1.00 0.68 C ATOM 801 CG PHE A 50 9.728 10.923 20.449 1.00 0.68 C ATOM 802 CD1 PHE A 50 9.370 11.974 21.311 1.00 0.64 C ATOM 803 CD2 PHE A 50 10.815 10.099 20.780 1.00 0.77 C ATOM 804 CE1 PHE A 50 10.100 12.201 22.485 1.00 0.68 C ATOM 805 CE2 PHE A 50 11.544 10.331 21.957 1.00 0.80 C ATOM 806 CZ PHE A 50 11.181 11.378 22.810 1.00 0.75 C ATOM 0 H PHE A 50 6.755 11.792 19.800 1.00 0.52 H new ATOM 0 HA PHE A 50 9.288 12.755 18.766 1.00 0.63 H new ATOM 0 HB2 PHE A 50 8.062 10.059 19.381 1.00 0.68 H new ATOM 0 HB3 PHE A 50 9.545 10.127 18.450 1.00 0.68 H new ATOM 0 HD1 PHE A 50 8.530 12.608 21.068 1.00 0.64 H new ATOM 0 HD2 PHE A 50 11.091 9.284 20.127 1.00 0.77 H new ATOM 0 HE1 PHE A 50 9.826 13.014 23.141 1.00 0.68 H new ATOM 0 HE2 PHE A 50 12.386 9.701 22.204 1.00 0.80 H new ATOM 0 HZ PHE A 50 11.736 11.550 23.720 1.00 0.75 H new ATOM 816 N ILE A 51 7.099 11.574 16.608 1.00 0.62 N ATOM 817 CA ILE A 51 6.882 11.520 15.121 1.00 0.66 C ATOM 818 C ILE A 51 7.037 12.955 14.558 1.00 0.68 C ATOM 819 O ILE A 51 7.525 13.138 13.460 1.00 0.76 O ATOM 820 CB ILE A 51 5.515 10.916 14.734 1.00 0.59 C ATOM 821 CG1 ILE A 51 4.418 11.982 14.797 1.00 0.66 C ATOM 822 CG2 ILE A 51 5.162 9.760 15.672 1.00 0.50 C ATOM 823 CD1 ILE A 51 3.066 11.351 14.462 1.00 0.63 C ATOM 0 H ILE A 51 6.291 11.343 17.186 1.00 0.62 H new ATOM 0 HA ILE A 51 7.628 10.856 14.685 1.00 0.66 H new ATOM 0 HB ILE A 51 5.585 10.541 13.713 1.00 0.59 H new ATOM 0 HG12 ILE A 51 4.386 12.426 15.792 1.00 0.66 H new ATOM 0 HG13 ILE A 51 4.639 12.786 14.095 1.00 0.66 H new ATOM 0 HG21 ILE A 51 4.196 9.343 15.388 1.00 0.50 H new ATOM 0 HG22 ILE A 51 5.926 8.986 15.600 1.00 0.50 H new ATOM 0 HG23 ILE A 51 5.112 10.126 16.698 1.00 0.50 H new ATOM 0 HD11 ILE A 51 2.288 12.113 14.508 1.00 0.63 H new ATOM 0 HD12 ILE A 51 3.101 10.928 13.458 1.00 0.63 H new ATOM 0 HD13 ILE A 51 2.845 10.562 15.181 1.00 0.63 H new ATOM 835 N HIS A 52 6.675 13.976 15.307 1.00 0.63 N ATOM 836 CA HIS A 52 6.877 15.407 14.785 1.00 0.69 C ATOM 837 C HIS A 52 8.337 15.831 14.900 1.00 0.77 C ATOM 838 O HIS A 52 8.851 16.609 14.115 1.00 0.84 O ATOM 839 CB HIS A 52 6.201 16.442 15.655 1.00 0.64 C ATOM 840 CG HIS A 52 4.753 16.547 15.397 1.00 0.56 C ATOM 841 ND1 HIS A 52 4.206 17.119 14.237 1.00 0.58 N ATOM 842 CD2 HIS A 52 3.716 16.236 16.196 1.00 0.46 C ATOM 843 CE1 HIS A 52 2.863 17.133 14.401 1.00 0.50 C ATOM 844 NE2 HIS A 52 2.555 16.609 15.580 1.00 0.42 N ATOM 0 H HIS A 52 6.258 13.903 16.235 1.00 0.63 H new ATOM 0 HA HIS A 52 6.488 15.375 13.767 1.00 0.69 H new ATOM 0 HB2 HIS A 52 6.361 16.190 16.703 1.00 0.64 H new ATOM 0 HB3 HIS A 52 6.667 17.413 15.486 1.00 0.64 H new ATOM 0 HD1 HIS A 52 4.722 17.459 13.426 1.00 0.58 H new ATOM 0 HD2 HIS A 52 3.789 15.768 17.166 1.00 0.46 H new ATOM 0 HE1 HIS A 52 2.151 17.512 13.683 1.00 0.50 H new ATOM 852 N THR A 53 8.992 15.368 15.910 1.00 0.77 N ATOM 853 CA THR A 53 10.411 15.759 16.104 1.00 0.84 C ATOM 854 C THR A 53 11.211 14.904 15.169 1.00 0.91 C ATOM 855 O THR A 53 12.394 15.106 14.941 1.00 0.99 O ATOM 856 CB THR A 53 10.873 15.413 17.531 1.00 0.80 C ATOM 857 OG1 THR A 53 10.696 14.020 17.740 1.00 0.69 O ATOM 858 CG2 THR A 53 10.075 16.178 18.585 1.00 0.90 C ATOM 0 H THR A 53 8.612 14.735 16.614 1.00 0.77 H new ATOM 0 HA THR A 53 10.534 16.828 15.930 1.00 0.84 H new ATOM 0 HB THR A 53 11.921 15.696 17.630 1.00 0.80 H new ATOM 0 HG1 THR A 53 10.092 13.661 17.057 1.00 0.69 H new ATOM 0 HG21 THR A 53 10.431 15.906 19.579 1.00 0.90 H new ATOM 0 HG22 THR A 53 10.205 17.249 18.433 1.00 0.90 H new ATOM 0 HG23 THR A 53 9.019 15.925 18.496 1.00 0.90 H new ATOM 866 N GLY A 54 10.581 13.863 14.715 1.00 0.90 N ATOM 867 CA GLY A 54 11.270 12.870 13.899 1.00 0.98 C ATOM 868 C GLY A 54 12.254 12.219 14.849 1.00 0.97 C ATOM 869 O GLY A 54 13.438 12.404 14.747 1.00 1.09 O ATOM 0 H GLY A 54 9.595 13.666 14.887 1.00 0.90 H new ATOM 0 HA2 GLY A 54 10.572 12.140 13.488 1.00 0.98 H new ATOM 0 HA3 GLY A 54 11.780 13.334 13.055 1.00 0.98 H new ATOM 873 N GLU A 55 11.757 11.475 15.793 1.00 0.84 N ATOM 874 CA GLU A 55 12.666 10.824 16.771 1.00 0.82 C ATOM 875 C GLU A 55 12.460 9.320 16.692 1.00 0.76 C ATOM 876 O GLU A 55 11.348 8.846 16.764 1.00 0.80 O ATOM 877 CB GLU A 55 12.349 11.327 18.184 1.00 0.81 C ATOM 878 CG GLU A 55 13.157 12.596 18.468 1.00 0.90 C ATOM 879 CD GLU A 55 12.801 13.126 19.858 1.00 1.27 C ATOM 880 OE1 GLU A 55 11.819 12.668 20.413 1.00 1.84 O ATOM 881 OE2 GLU A 55 13.519 13.990 20.343 1.00 1.92 O ATOM 0 H GLU A 55 10.763 11.290 15.930 1.00 0.84 H new ATOM 0 HA GLU A 55 13.704 11.067 16.541 1.00 0.82 H new ATOM 0 HB2 GLU A 55 11.283 11.534 18.277 1.00 0.81 H new ATOM 0 HB3 GLU A 55 12.590 10.558 18.918 1.00 0.81 H new ATOM 0 HG2 GLU A 55 14.224 12.381 18.411 1.00 0.90 H new ATOM 0 HG3 GLU A 55 12.944 13.353 17.713 1.00 0.90 H new ATOM 888 N LYS A 56 13.509 8.573 16.539 1.00 0.71 N ATOM 889 CA LYS A 56 13.361 7.092 16.447 1.00 0.66 C ATOM 890 C LYS A 56 14.389 6.424 17.356 1.00 0.66 C ATOM 891 O LYS A 56 15.414 5.965 16.902 1.00 0.66 O ATOM 892 CB LYS A 56 13.607 6.658 14.997 1.00 0.64 C ATOM 893 CG LYS A 56 12.642 7.388 14.049 1.00 0.54 C ATOM 894 CD LYS A 56 11.321 6.616 13.955 1.00 1.26 C ATOM 895 CE LYS A 56 10.320 7.401 13.097 1.00 1.27 C ATOM 896 NZ LYS A 56 9.537 8.319 13.969 1.00 1.22 N ATOM 0 H LYS A 56 14.466 8.919 16.473 1.00 0.71 H new ATOM 0 HA LYS A 56 12.358 6.799 16.757 1.00 0.66 H new ATOM 0 HB2 LYS A 56 14.637 6.875 14.715 1.00 0.64 H new ATOM 0 HB3 LYS A 56 13.472 5.580 14.905 1.00 0.64 H new ATOM 0 HG2 LYS A 56 12.458 8.399 14.411 1.00 0.54 H new ATOM 0 HG3 LYS A 56 13.090 7.481 13.060 1.00 0.54 H new ATOM 0 HD2 LYS A 56 11.494 5.632 13.519 1.00 1.26 H new ATOM 0 HD3 LYS A 56 10.911 6.455 14.952 1.00 1.26 H new ATOM 0 HE2 LYS A 56 10.848 7.970 12.332 1.00 1.27 H new ATOM 0 HE3 LYS A 56 9.651 6.714 12.579 1.00 1.27 H new ATOM 0 HZ1 LYS A 56 8.629 7.875 14.214 1.00 1.22 H new ATOM 0 HZ2 LYS A 56 10.073 8.514 14.838 1.00 1.22 H new ATOM 0 HZ3 LYS A 56 9.360 9.211 13.464 1.00 1.22 H new ATOM 910 N PRO A 57 14.127 6.378 18.636 1.00 0.69 N ATOM 911 CA PRO A 57 15.058 5.751 19.613 1.00 0.70 C ATOM 912 C PRO A 57 15.126 4.221 19.474 1.00 0.64 C ATOM 913 O PRO A 57 15.840 3.567 20.211 1.00 0.67 O ATOM 914 CB PRO A 57 14.496 6.153 20.980 1.00 0.77 C ATOM 915 CG PRO A 57 13.050 6.453 20.748 1.00 0.77 C ATOM 916 CD PRO A 57 12.921 6.917 19.297 1.00 0.73 C ATOM 0 HA PRO A 57 16.083 6.087 19.456 1.00 0.70 H new ATOM 0 HB2 PRO A 57 14.618 5.349 21.706 1.00 0.77 H new ATOM 0 HB3 PRO A 57 15.018 7.023 21.378 1.00 0.77 H new ATOM 0 HG2 PRO A 57 12.438 5.569 20.927 1.00 0.77 H new ATOM 0 HG3 PRO A 57 12.701 7.226 21.433 1.00 0.77 H new ATOM 0 HD2 PRO A 57 12.010 6.535 18.836 1.00 0.73 H new ATOM 0 HD3 PRO A 57 12.881 8.004 19.228 1.00 0.73 H new ATOM 924 N HIS A 58 14.402 3.641 18.535 1.00 0.57 N ATOM 925 CA HIS A 58 14.460 2.149 18.369 1.00 0.52 C ATOM 926 C HIS A 58 15.122 1.826 17.027 1.00 0.46 C ATOM 927 O HIS A 58 14.470 1.740 16.010 1.00 0.43 O ATOM 928 CB HIS A 58 13.047 1.565 18.420 1.00 0.51 C ATOM 929 CG HIS A 58 12.497 1.770 19.800 1.00 0.59 C ATOM 930 ND1 HIS A 58 12.937 1.029 20.886 1.00 0.66 N ATOM 931 CD2 HIS A 58 11.552 2.632 20.293 1.00 0.67 C ATOM 932 CE1 HIS A 58 12.259 1.454 21.968 1.00 0.74 C ATOM 933 NE2 HIS A 58 11.401 2.432 21.660 1.00 0.75 N ATOM 0 H HIS A 58 13.784 4.129 17.887 1.00 0.57 H new ATOM 0 HA HIS A 58 15.044 1.708 19.177 1.00 0.52 H new ATOM 0 HB2 HIS A 58 12.409 2.051 17.682 1.00 0.51 H new ATOM 0 HB3 HIS A 58 13.067 0.503 18.174 1.00 0.51 H new ATOM 0 HD2 HIS A 58 11.007 3.357 19.707 1.00 0.67 H new ATOM 0 HE1 HIS A 58 12.392 1.054 22.963 1.00 0.74 H new ATOM 0 HE2 HIS A 58 10.771 2.925 22.292 1.00 0.75 H new ATOM 941 N LYS A 59 16.418 1.684 17.010 1.00 0.46 N ATOM 942 CA LYS A 59 17.107 1.417 15.719 1.00 0.44 C ATOM 943 C LYS A 59 17.322 -0.065 15.478 1.00 0.38 C ATOM 944 O LYS A 59 17.818 -0.787 16.318 1.00 0.41 O ATOM 945 CB LYS A 59 18.466 2.099 15.717 1.00 0.55 C ATOM 946 CG LYS A 59 18.266 3.592 15.910 1.00 1.20 C ATOM 947 CD LYS A 59 19.612 4.309 15.849 1.00 1.52 C ATOM 948 CE LYS A 59 19.383 5.804 16.067 1.00 1.47 C ATOM 949 NZ LYS A 59 18.830 6.019 17.434 1.00 1.79 N ATOM 0 H LYS A 59 17.025 1.741 17.828 1.00 0.46 H new ATOM 0 HA LYS A 59 16.467 1.807 14.928 1.00 0.44 H new ATOM 0 HB2 LYS A 59 19.091 1.696 16.514 1.00 0.55 H new ATOM 0 HB3 LYS A 59 18.983 1.906 14.777 1.00 0.55 H new ATOM 0 HG2 LYS A 59 17.602 3.981 15.139 1.00 1.20 H new ATOM 0 HG3 LYS A 59 17.786 3.782 16.870 1.00 1.20 H new ATOM 0 HD2 LYS A 59 20.285 3.915 16.611 1.00 1.52 H new ATOM 0 HD3 LYS A 59 20.088 4.137 14.884 1.00 1.52 H new ATOM 0 HE2 LYS A 59 20.320 6.349 15.951 1.00 1.47 H new ATOM 0 HE3 LYS A 59 18.693 6.192 15.317 1.00 1.47 H new ATOM 0 HZ1 LYS A 59 19.324 6.814 17.887 1.00 1.79 H new ATOM 0 HZ2 LYS A 59 17.815 6.234 17.368 1.00 1.79 H new ATOM 0 HZ3 LYS A 59 18.965 5.159 18.002 1.00 1.79 H new ATOM 963 N CYS A 60 17.008 -0.502 14.298 1.00 0.33 N ATOM 964 CA CYS A 60 17.249 -1.927 13.945 1.00 0.29 C ATOM 965 C CYS A 60 18.734 -2.050 13.586 1.00 0.34 C ATOM 966 O CYS A 60 19.206 -1.448 12.640 1.00 0.39 O ATOM 967 CB CYS A 60 16.360 -2.335 12.758 1.00 0.25 C ATOM 968 SG CYS A 60 17.247 -3.517 11.714 1.00 0.30 S ATOM 0 H CYS A 60 16.594 0.065 13.558 1.00 0.33 H new ATOM 0 HA CYS A 60 17.002 -2.588 14.775 1.00 0.29 H new ATOM 0 HB2 CYS A 60 15.433 -2.779 13.121 1.00 0.25 H new ATOM 0 HB3 CYS A 60 16.086 -1.455 12.176 1.00 0.25 H new ATOM 0 HG CYS A 60 16.408 -4.386 11.233 1.00 0.30 H new ATOM 973 N GLN A 61 19.467 -2.834 14.333 1.00 0.37 N ATOM 974 CA GLN A 61 20.923 -3.011 14.051 1.00 0.45 C ATOM 975 C GLN A 61 21.099 -4.074 12.989 1.00 0.40 C ATOM 976 O GLN A 61 22.185 -4.567 12.761 1.00 0.47 O ATOM 977 CB GLN A 61 21.653 -3.483 15.308 1.00 0.55 C ATOM 978 CG GLN A 61 21.001 -2.904 16.564 1.00 0.95 C ATOM 979 CD GLN A 61 21.106 -1.378 16.554 1.00 1.85 C ATOM 980 OE1 GLN A 61 22.040 -0.823 16.009 1.00 2.78 O ATOM 981 NE2 GLN A 61 20.180 -0.674 17.144 1.00 2.18 N ATOM 0 H GLN A 61 19.117 -3.363 15.132 1.00 0.37 H new ATOM 0 HA GLN A 61 21.330 -2.056 13.720 1.00 0.45 H new ATOM 0 HB2 GLN A 61 21.639 -4.572 15.355 1.00 0.55 H new ATOM 0 HB3 GLN A 61 22.699 -3.179 15.262 1.00 0.55 H new ATOM 0 HG2 GLN A 61 19.954 -3.204 16.611 1.00 0.95 H new ATOM 0 HG3 GLN A 61 21.488 -3.304 17.453 1.00 0.95 H new ATOM 0 HE21 GLN A 61 19.397 -1.142 17.601 1.00 2.18 H new ATOM 0 HE22 GLN A 61 20.239 0.344 17.149 1.00 2.18 H new ATOM 990 N VAL A 62 20.038 -4.442 12.349 1.00 0.34 N ATOM 991 CA VAL A 62 20.127 -5.492 11.306 1.00 0.35 C ATOM 992 C VAL A 62 20.209 -4.878 9.917 1.00 0.37 C ATOM 993 O VAL A 62 21.191 -5.033 9.221 1.00 0.47 O ATOM 994 CB VAL A 62 18.899 -6.399 11.383 1.00 0.35 C ATOM 995 CG1 VAL A 62 19.130 -7.631 10.496 1.00 0.43 C ATOM 996 CG2 VAL A 62 18.712 -6.847 12.832 1.00 0.43 C ATOM 0 H VAL A 62 19.105 -4.060 12.502 1.00 0.34 H new ATOM 0 HA VAL A 62 21.032 -6.072 11.484 1.00 0.35 H new ATOM 0 HB VAL A 62 18.013 -5.864 11.042 1.00 0.35 H new ATOM 0 HG11 VAL A 62 18.258 -8.283 10.545 1.00 0.43 H new ATOM 0 HG12 VAL A 62 19.287 -7.313 9.465 1.00 0.43 H new ATOM 0 HG13 VAL A 62 20.009 -8.172 10.847 1.00 0.43 H new ATOM 0 HG21 VAL A 62 17.839 -7.495 12.903 1.00 0.43 H new ATOM 0 HG22 VAL A 62 19.596 -7.392 13.161 1.00 0.43 H new ATOM 0 HG23 VAL A 62 18.567 -5.973 13.467 1.00 0.43 H new ATOM 1006 N CYS A 63 19.167 -4.217 9.488 1.00 0.33 N ATOM 1007 CA CYS A 63 19.176 -3.644 8.108 1.00 0.37 C ATOM 1008 C CYS A 63 19.324 -2.106 8.089 1.00 0.42 C ATOM 1009 O CYS A 63 19.549 -1.544 7.041 1.00 0.59 O ATOM 1010 CB CYS A 63 17.910 -4.080 7.368 1.00 0.35 C ATOM 1011 SG CYS A 63 16.470 -3.212 8.020 1.00 0.32 S ATOM 0 H CYS A 63 18.317 -4.049 10.026 1.00 0.33 H new ATOM 0 HA CYS A 63 20.057 -4.034 7.598 1.00 0.37 H new ATOM 0 HB2 CYS A 63 18.015 -3.874 6.303 1.00 0.35 H new ATOM 0 HB3 CYS A 63 17.772 -5.156 7.473 1.00 0.35 H new ATOM 0 HG CYS A 63 16.526 -3.194 9.319 1.00 0.32 H new ATOM 1016 N GLY A 64 19.277 -1.414 9.212 1.00 0.41 N ATOM 1017 CA GLY A 64 19.517 0.081 9.149 1.00 0.48 C ATOM 1018 C GLY A 64 18.270 0.924 9.451 1.00 0.46 C ATOM 1019 O GLY A 64 18.375 2.124 9.596 1.00 0.53 O ATOM 0 H GLY A 64 19.091 -1.797 10.139 1.00 0.41 H new ATOM 0 HA2 GLY A 64 20.302 0.343 9.859 1.00 0.48 H new ATOM 0 HA3 GLY A 64 19.886 0.338 8.156 1.00 0.48 H new ATOM 1023 N LYS A 65 17.089 0.358 9.503 1.00 0.39 N ATOM 1024 CA LYS A 65 15.870 1.213 9.750 1.00 0.39 C ATOM 1025 C LYS A 65 15.728 1.578 11.240 1.00 0.40 C ATOM 1026 O LYS A 65 16.420 1.057 12.092 1.00 0.42 O ATOM 1027 CB LYS A 65 14.625 0.444 9.278 1.00 0.36 C ATOM 1028 CG LYS A 65 13.717 1.335 8.403 1.00 0.46 C ATOM 1029 CD LYS A 65 12.734 0.435 7.642 1.00 0.52 C ATOM 1030 CE LYS A 65 12.147 1.174 6.434 1.00 0.68 C ATOM 1031 NZ LYS A 65 11.327 0.227 5.618 1.00 0.77 N ATOM 0 H LYS A 65 16.910 -0.640 9.388 1.00 0.39 H new ATOM 0 HA LYS A 65 15.976 2.144 9.193 1.00 0.39 H new ATOM 0 HB2 LYS A 65 14.931 -0.436 8.711 1.00 0.36 H new ATOM 0 HB3 LYS A 65 14.065 0.088 10.143 1.00 0.36 H new ATOM 0 HG2 LYS A 65 13.174 2.047 9.024 1.00 0.46 H new ATOM 0 HG3 LYS A 65 14.318 1.916 7.703 1.00 0.46 H new ATOM 0 HD2 LYS A 65 13.244 -0.469 7.309 1.00 0.52 H new ATOM 0 HD3 LYS A 65 11.930 0.121 8.308 1.00 0.52 H new ATOM 0 HE2 LYS A 65 11.531 2.009 6.769 1.00 0.68 H new ATOM 0 HE3 LYS A 65 12.949 1.593 5.826 1.00 0.68 H new ATOM 0 HZ1 LYS A 65 10.929 0.729 4.799 1.00 0.77 H new ATOM 0 HZ2 LYS A 65 11.927 -0.555 5.287 1.00 0.77 H new ATOM 0 HZ3 LYS A 65 10.553 -0.153 6.200 1.00 0.77 H new ATOM 1045 N ALA A 66 14.837 2.495 11.548 1.00 0.45 N ATOM 1046 CA ALA A 66 14.638 2.929 12.961 1.00 0.50 C ATOM 1047 C ALA A 66 13.138 3.085 13.242 1.00 0.46 C ATOM 1048 O ALA A 66 12.353 3.342 12.350 1.00 0.48 O ATOM 1049 CB ALA A 66 15.327 4.275 13.169 1.00 0.65 C ATOM 0 H ALA A 66 14.236 2.963 10.870 1.00 0.45 H new ATOM 0 HA ALA A 66 15.060 2.185 13.636 1.00 0.50 H new ATOM 0 HB1 ALA A 66 15.187 4.600 14.200 1.00 0.65 H new ATOM 0 HB2 ALA A 66 16.392 4.174 12.962 1.00 0.65 H new ATOM 0 HB3 ALA A 66 14.895 5.013 12.494 1.00 0.65 H new ATOM 1055 N PHE A 67 12.727 2.878 14.470 1.00 0.45 N ATOM 1056 CA PHE A 67 11.272 2.955 14.795 1.00 0.47 C ATOM 1057 C PHE A 67 10.988 3.782 16.051 1.00 0.52 C ATOM 1058 O PHE A 67 11.794 3.887 16.964 1.00 0.56 O ATOM 1059 CB PHE A 67 10.766 1.546 15.042 1.00 0.48 C ATOM 1060 CG PHE A 67 11.145 0.701 13.867 1.00 0.41 C ATOM 1061 CD1 PHE A 67 12.446 0.193 13.764 1.00 0.37 C ATOM 1062 CD2 PHE A 67 10.210 0.452 12.862 1.00 0.47 C ATOM 1063 CE1 PHE A 67 12.805 -0.573 12.656 1.00 0.36 C ATOM 1064 CE2 PHE A 67 10.573 -0.307 11.748 1.00 0.46 C ATOM 1065 CZ PHE A 67 11.870 -0.815 11.646 1.00 0.40 C ATOM 0 H PHE A 67 13.336 2.660 15.258 1.00 0.45 H new ATOM 0 HA PHE A 67 10.772 3.437 13.955 1.00 0.47 H new ATOM 0 HB2 PHE A 67 11.199 1.141 15.957 1.00 0.48 H new ATOM 0 HB3 PHE A 67 9.684 1.548 15.175 1.00 0.48 H new ATOM 0 HD1 PHE A 67 13.169 0.394 14.541 1.00 0.37 H new ATOM 0 HD2 PHE A 67 9.208 0.845 12.946 1.00 0.47 H new ATOM 0 HE1 PHE A 67 13.803 -0.978 12.578 1.00 0.36 H new ATOM 0 HE2 PHE A 67 9.853 -0.501 10.967 1.00 0.46 H new ATOM 0 HZ PHE A 67 12.152 -1.398 10.782 1.00 0.40 H new ATOM 1075 N SER A 68 9.823 4.349 16.083 1.00 0.56 N ATOM 1076 CA SER A 68 9.404 5.163 17.250 1.00 0.65 C ATOM 1077 C SER A 68 8.899 4.220 18.345 1.00 0.67 C ATOM 1078 O SER A 68 8.984 4.516 19.516 1.00 0.75 O ATOM 1079 CB SER A 68 8.263 6.074 16.836 1.00 0.71 C ATOM 1080 OG SER A 68 7.249 5.274 16.232 1.00 1.64 O ATOM 0 H SER A 68 9.130 4.283 15.337 1.00 0.56 H new ATOM 0 HA SER A 68 10.244 5.756 17.612 1.00 0.65 H new ATOM 0 HB2 SER A 68 7.865 6.602 17.703 1.00 0.71 H new ATOM 0 HB3 SER A 68 8.616 6.831 16.136 1.00 0.71 H new ATOM 0 HG SER A 68 6.501 5.845 15.959 1.00 1.64 H new ATOM 1086 N GLN A 69 8.351 3.091 17.967 1.00 0.67 N ATOM 1087 CA GLN A 69 7.804 2.153 18.991 1.00 0.71 C ATOM 1088 C GLN A 69 8.545 0.815 18.982 1.00 0.65 C ATOM 1089 O GLN A 69 8.974 0.319 17.955 1.00 0.64 O ATOM 1090 CB GLN A 69 6.329 1.902 18.681 1.00 0.75 C ATOM 1091 CG GLN A 69 5.699 3.173 18.113 1.00 0.91 C ATOM 1092 CD GLN A 69 4.177 3.035 18.147 1.00 0.95 C ATOM 1093 OE1 GLN A 69 3.662 2.013 18.555 1.00 1.59 O ATOM 1094 NE2 GLN A 69 3.429 4.024 17.739 1.00 1.22 N ATOM 0 H GLN A 69 8.260 2.781 16.999 1.00 0.67 H new ATOM 0 HA GLN A 69 7.930 2.605 19.975 1.00 0.71 H new ATOM 0 HB2 GLN A 69 6.232 1.085 17.966 1.00 0.75 H new ATOM 0 HB3 GLN A 69 5.804 1.597 19.586 1.00 0.75 H new ATOM 0 HG2 GLN A 69 6.011 4.040 18.695 1.00 0.91 H new ATOM 0 HG3 GLN A 69 6.039 3.337 17.090 1.00 0.91 H new ATOM 0 HE21 GLN A 69 3.861 4.882 17.396 1.00 1.22 H new ATOM 0 HE22 GLN A 69 2.413 3.938 17.763 1.00 1.22 H new ATOM 1103 N SER A 70 8.669 0.211 20.121 1.00 0.66 N ATOM 1104 CA SER A 70 9.340 -1.114 20.159 1.00 0.63 C ATOM 1105 C SER A 70 8.469 -2.102 19.399 1.00 0.62 C ATOM 1106 O SER A 70 8.947 -2.870 18.616 1.00 0.60 O ATOM 1107 CB SER A 70 9.495 -1.629 21.586 1.00 0.69 C ATOM 1108 OG SER A 70 9.993 -0.598 22.422 1.00 1.23 O ATOM 0 H SER A 70 8.341 0.568 21.018 1.00 0.66 H new ATOM 0 HA SER A 70 10.332 -1.011 19.718 1.00 0.63 H new ATOM 0 HB2 SER A 70 8.534 -1.980 21.961 1.00 0.69 H new ATOM 0 HB3 SER A 70 10.174 -2.481 21.602 1.00 0.69 H new ATOM 0 HG SER A 70 10.088 -0.936 23.337 1.00 1.23 H new ATOM 1114 N SER A 71 7.181 -2.073 19.617 1.00 0.67 N ATOM 1115 CA SER A 71 6.290 -3.018 18.899 1.00 0.70 C ATOM 1116 C SER A 71 6.615 -2.980 17.418 1.00 0.63 C ATOM 1117 O SER A 71 6.688 -4.004 16.766 1.00 0.64 O ATOM 1118 CB SER A 71 4.835 -2.623 19.103 1.00 0.80 C ATOM 1119 OG SER A 71 4.032 -3.368 18.196 1.00 1.80 O ATOM 0 H SER A 71 6.712 -1.436 20.261 1.00 0.67 H new ATOM 0 HA SER A 71 6.445 -4.024 19.290 1.00 0.70 H new ATOM 0 HB2 SER A 71 4.529 -2.822 20.130 1.00 0.80 H new ATOM 0 HB3 SER A 71 4.706 -1.554 18.933 1.00 0.80 H new ATOM 0 HG SER A 71 3.090 -3.125 18.317 1.00 1.80 H new ATOM 1125 N ASN A 72 6.827 -1.823 16.865 1.00 0.59 N ATOM 1126 CA ASN A 72 7.163 -1.801 15.416 1.00 0.54 C ATOM 1127 C ASN A 72 8.592 -2.357 15.247 1.00 0.47 C ATOM 1128 O ASN A 72 8.882 -3.074 14.308 1.00 0.45 O ATOM 1129 CB ASN A 72 7.008 -0.391 14.855 1.00 0.55 C ATOM 1130 CG ASN A 72 5.525 -0.012 14.978 1.00 0.65 C ATOM 1131 OD1 ASN A 72 4.762 -0.742 15.575 1.00 0.82 O ATOM 1132 ND2 ASN A 72 5.072 1.090 14.442 1.00 0.74 N ATOM 0 H ASN A 72 6.785 -0.918 17.333 1.00 0.59 H new ATOM 0 HA ASN A 72 6.478 -2.430 14.847 1.00 0.54 H new ATOM 0 HB2 ASN A 72 7.632 0.313 15.406 1.00 0.55 H new ATOM 0 HB3 ASN A 72 7.329 -0.354 13.814 1.00 0.55 H new ATOM 0 HD21 ASN A 72 4.084 1.330 14.527 1.00 0.74 H new ATOM 0 HD22 ASN A 72 5.706 1.710 13.938 1.00 0.74 H new ATOM 1139 N LEU A 73 9.463 -2.108 16.207 1.00 0.46 N ATOM 1140 CA LEU A 73 10.841 -2.707 16.151 1.00 0.41 C ATOM 1141 C LEU A 73 10.652 -4.225 16.261 1.00 0.44 C ATOM 1142 O LEU A 73 11.134 -4.972 15.453 1.00 0.42 O ATOM 1143 CB LEU A 73 11.698 -2.202 17.332 1.00 0.44 C ATOM 1144 CG LEU A 73 13.089 -2.866 17.313 1.00 0.42 C ATOM 1145 CD1 LEU A 73 13.666 -2.876 15.898 1.00 0.44 C ATOM 1146 CD2 LEU A 73 14.040 -2.091 18.227 1.00 0.52 C ATOM 0 H LEU A 73 9.279 -1.520 17.020 1.00 0.46 H new ATOM 0 HA LEU A 73 11.352 -2.428 15.230 1.00 0.41 H new ATOM 0 HB2 LEU A 73 11.805 -1.119 17.274 1.00 0.44 H new ATOM 0 HB3 LEU A 73 11.196 -2.423 18.274 1.00 0.44 H new ATOM 0 HG LEU A 73 12.982 -3.893 17.662 1.00 0.42 H new ATOM 0 HD11 LEU A 73 14.648 -3.349 15.909 1.00 0.44 H new ATOM 0 HD12 LEU A 73 13.002 -3.434 15.238 1.00 0.44 H new ATOM 0 HD13 LEU A 73 13.761 -1.852 15.536 1.00 0.44 H new ATOM 0 HD21 LEU A 73 15.023 -2.562 18.212 1.00 0.52 H new ATOM 0 HD22 LEU A 73 14.125 -1.063 17.876 1.00 0.52 H new ATOM 0 HD23 LEU A 73 13.651 -2.096 19.245 1.00 0.52 H new ATOM 1158 N ILE A 74 9.948 -4.673 17.250 1.00 0.51 N ATOM 1159 CA ILE A 74 9.690 -6.126 17.427 1.00 0.56 C ATOM 1160 C ILE A 74 9.125 -6.742 16.139 1.00 0.55 C ATOM 1161 O ILE A 74 9.663 -7.701 15.631 1.00 0.56 O ATOM 1162 CB ILE A 74 8.683 -6.299 18.565 1.00 0.66 C ATOM 1163 CG1 ILE A 74 9.279 -5.676 19.827 1.00 0.70 C ATOM 1164 CG2 ILE A 74 8.393 -7.787 18.812 1.00 0.73 C ATOM 1165 CD1 ILE A 74 8.349 -5.907 21.010 1.00 0.83 C ATOM 0 H ILE A 74 9.527 -4.080 17.965 1.00 0.51 H new ATOM 0 HA ILE A 74 10.625 -6.634 17.662 1.00 0.56 H new ATOM 0 HB ILE A 74 7.745 -5.810 18.301 1.00 0.66 H new ATOM 0 HG12 ILE A 74 10.257 -6.113 20.031 1.00 0.70 H new ATOM 0 HG13 ILE A 74 9.432 -4.607 19.678 1.00 0.70 H new ATOM 0 HG21 ILE A 74 7.674 -7.888 19.625 1.00 0.73 H new ATOM 0 HG22 ILE A 74 7.981 -8.233 17.907 1.00 0.73 H new ATOM 0 HG23 ILE A 74 9.318 -8.298 19.080 1.00 0.73 H new ATOM 0 HD11 ILE A 74 8.781 -5.460 21.905 1.00 0.83 H new ATOM 0 HD12 ILE A 74 7.381 -5.449 20.807 1.00 0.83 H new ATOM 0 HD13 ILE A 74 8.218 -6.978 21.166 1.00 0.83 H new ATOM 1177 N THR A 75 8.043 -6.238 15.595 1.00 0.55 N ATOM 1178 CA THR A 75 7.526 -6.873 14.356 1.00 0.55 C ATOM 1179 C THR A 75 8.622 -6.786 13.297 1.00 0.48 C ATOM 1180 O THR A 75 8.874 -7.713 12.555 1.00 0.51 O ATOM 1181 CB THR A 75 6.252 -6.156 13.889 1.00 0.58 C ATOM 1182 OG1 THR A 75 5.163 -6.551 14.719 1.00 0.70 O ATOM 1183 CG2 THR A 75 5.935 -6.530 12.436 1.00 0.62 C ATOM 0 H THR A 75 7.514 -5.440 15.946 1.00 0.55 H new ATOM 0 HA THR A 75 7.267 -7.917 14.536 1.00 0.55 H new ATOM 0 HB THR A 75 6.405 -5.079 13.955 1.00 0.58 H new ATOM 0 HG1 THR A 75 4.346 -6.095 14.427 1.00 0.70 H new ATOM 0 HG21 THR A 75 5.029 -6.015 12.117 1.00 0.62 H new ATOM 0 HG22 THR A 75 6.765 -6.234 11.795 1.00 0.62 H new ATOM 0 HG23 THR A 75 5.785 -7.607 12.362 1.00 0.62 H new ATOM 1191 N HIS A 76 9.283 -5.660 13.230 1.00 0.42 N ATOM 1192 CA HIS A 76 10.366 -5.472 12.230 1.00 0.36 C ATOM 1193 C HIS A 76 11.501 -6.494 12.490 1.00 0.36 C ATOM 1194 O HIS A 76 12.004 -7.157 11.579 1.00 0.38 O ATOM 1195 CB HIS A 76 10.878 -4.031 12.375 1.00 0.31 C ATOM 1196 CG HIS A 76 12.033 -3.822 11.454 1.00 0.24 C ATOM 1197 ND1 HIS A 76 11.888 -3.258 10.181 1.00 0.26 N ATOM 1198 CD2 HIS A 76 13.348 -4.177 11.566 1.00 0.21 C ATOM 1199 CE1 HIS A 76 13.095 -3.310 9.579 1.00 0.23 C ATOM 1200 NE2 HIS A 76 13.982 -3.853 10.394 1.00 0.18 N ATOM 0 H HIS A 76 9.114 -4.856 13.834 1.00 0.42 H new ATOM 0 HA HIS A 76 10.001 -5.637 11.216 1.00 0.36 H new ATOM 0 HB2 HIS A 76 10.081 -3.325 12.143 1.00 0.31 H new ATOM 0 HB3 HIS A 76 11.181 -3.843 13.405 1.00 0.31 H new ATOM 0 HD1 HIS A 76 11.029 -2.878 9.782 1.00 0.26 H new ATOM 0 HD2 HIS A 76 13.809 -4.634 12.429 1.00 0.21 H new ATOM 0 HE1 HIS A 76 13.305 -2.960 8.579 1.00 0.23 H new ATOM 1208 N SER A 77 11.890 -6.646 13.731 1.00 0.38 N ATOM 1209 CA SER A 77 12.953 -7.620 14.073 1.00 0.41 C ATOM 1210 C SER A 77 12.403 -9.019 13.836 1.00 0.48 C ATOM 1211 O SER A 77 13.113 -9.920 13.437 1.00 0.51 O ATOM 1212 CB SER A 77 13.354 -7.441 15.534 1.00 0.47 C ATOM 1213 OG SER A 77 14.400 -8.352 15.835 1.00 0.56 O ATOM 0 H SER A 77 11.509 -6.129 14.524 1.00 0.38 H new ATOM 0 HA SER A 77 13.837 -7.463 13.454 1.00 0.41 H new ATOM 0 HB2 SER A 77 13.682 -6.417 15.713 1.00 0.47 H new ATOM 0 HB3 SER A 77 12.498 -7.620 16.185 1.00 0.47 H new ATOM 0 HG SER A 77 14.667 -8.245 16.772 1.00 0.56 H new ATOM 1219 N ARG A 78 11.122 -9.197 14.055 1.00 0.53 N ATOM 1220 CA ARG A 78 10.503 -10.529 13.811 1.00 0.61 C ATOM 1221 C ARG A 78 10.682 -10.862 12.332 1.00 0.59 C ATOM 1222 O ARG A 78 10.948 -11.990 11.974 1.00 0.66 O ATOM 1223 CB ARG A 78 9.006 -10.518 14.160 1.00 0.70 C ATOM 1224 CG ARG A 78 8.838 -10.644 15.678 1.00 0.82 C ATOM 1225 CD ARG A 78 7.351 -10.673 16.054 1.00 0.95 C ATOM 1226 NE ARG A 78 7.224 -10.729 17.539 1.00 1.11 N ATOM 1227 CZ ARG A 78 6.090 -11.067 18.092 1.00 1.23 C ATOM 1228 NH1 ARG A 78 5.050 -11.332 17.349 1.00 1.36 N ATOM 1229 NH2 ARG A 78 5.992 -11.135 19.393 1.00 1.70 N ATOM 0 H ARG A 78 10.483 -8.476 14.391 1.00 0.53 H new ATOM 0 HA ARG A 78 10.985 -11.276 14.442 1.00 0.61 H new ATOM 0 HB2 ARG A 78 8.546 -9.595 13.807 1.00 0.70 H new ATOM 0 HB3 ARG A 78 8.498 -11.341 13.657 1.00 0.70 H new ATOM 0 HG2 ARG A 78 9.326 -11.553 16.029 1.00 0.82 H new ATOM 0 HG3 ARG A 78 9.328 -9.807 16.175 1.00 0.82 H new ATOM 0 HD2 ARG A 78 6.848 -9.787 15.667 1.00 0.95 H new ATOM 0 HD3 ARG A 78 6.866 -11.538 15.602 1.00 0.95 H new ATOM 0 HE ARG A 78 8.027 -10.502 18.126 1.00 1.11 H new ATOM 0 HH11 ARG A 78 5.121 -11.275 16.333 1.00 1.36 H new ATOM 0 HH12 ARG A 78 4.166 -11.596 17.784 1.00 1.36 H new ATOM 0 HH21 ARG A 78 6.801 -10.924 19.977 1.00 1.70 H new ATOM 0 HH22 ARG A 78 5.106 -11.399 19.825 1.00 1.70 H new ATOM 1243 N LYS A 79 10.551 -9.896 11.453 1.00 0.53 N ATOM 1244 CA LYS A 79 10.750 -10.221 10.021 1.00 0.54 C ATOM 1245 C LYS A 79 12.194 -10.680 9.856 1.00 0.52 C ATOM 1246 O LYS A 79 12.466 -11.674 9.211 1.00 0.56 O ATOM 1247 CB LYS A 79 10.479 -8.992 9.135 1.00 0.49 C ATOM 1248 CG LYS A 79 9.331 -9.288 8.137 1.00 0.51 C ATOM 1249 CD LYS A 79 8.030 -8.625 8.617 1.00 0.54 C ATOM 1250 CE LYS A 79 6.939 -8.780 7.550 1.00 1.18 C ATOM 1251 NZ LYS A 79 6.886 -10.195 7.083 1.00 1.93 N ATOM 0 H LYS A 79 10.321 -8.925 11.665 1.00 0.53 H new ATOM 0 HA LYS A 79 10.055 -11.002 9.713 1.00 0.54 H new ATOM 0 HB2 LYS A 79 10.216 -8.137 9.758 1.00 0.49 H new ATOM 0 HB3 LYS A 79 11.383 -8.723 8.589 1.00 0.49 H new ATOM 0 HG2 LYS A 79 9.594 -8.916 7.147 1.00 0.51 H new ATOM 0 HG3 LYS A 79 9.187 -10.365 8.045 1.00 0.51 H new ATOM 0 HD2 LYS A 79 7.703 -9.080 9.552 1.00 0.54 H new ATOM 0 HD3 LYS A 79 8.204 -7.568 8.821 1.00 0.54 H new ATOM 0 HE2 LYS A 79 5.973 -8.486 7.960 1.00 1.18 H new ATOM 0 HE3 LYS A 79 7.143 -8.117 6.709 1.00 1.18 H new ATOM 0 HZ1 LYS A 79 5.971 -10.374 6.621 1.00 1.93 H new ATOM 0 HZ2 LYS A 79 7.656 -10.366 6.405 1.00 1.93 H new ATOM 0 HZ3 LYS A 79 6.994 -10.833 7.897 1.00 1.93 H new ATOM 1265 N HIS A 80 13.131 -9.986 10.447 1.00 0.47 N ATOM 1266 CA HIS A 80 14.543 -10.457 10.314 1.00 0.48 C ATOM 1267 C HIS A 80 14.649 -11.868 10.839 1.00 0.58 C ATOM 1268 O HIS A 80 15.162 -12.752 10.188 1.00 0.65 O ATOM 1269 CB HIS A 80 15.490 -9.611 11.148 1.00 0.42 C ATOM 1270 CG HIS A 80 15.722 -8.321 10.457 1.00 0.34 C ATOM 1271 ND1 HIS A 80 15.996 -8.236 9.087 1.00 0.37 N ATOM 1272 CD2 HIS A 80 15.663 -7.048 10.916 1.00 0.27 C ATOM 1273 CE1 HIS A 80 16.077 -6.926 8.777 1.00 0.33 C ATOM 1274 NE2 HIS A 80 15.893 -6.193 9.864 1.00 0.24 N ATOM 0 H HIS A 80 12.989 -9.140 10.999 1.00 0.47 H new ATOM 0 HA HIS A 80 14.812 -10.390 9.260 1.00 0.48 H new ATOM 0 HB2 HIS A 80 15.067 -9.437 12.137 1.00 0.42 H new ATOM 0 HB3 HIS A 80 16.435 -10.135 11.293 1.00 0.42 H new ATOM 0 HD1 HIS A 80 16.113 -9.019 8.443 1.00 0.37 H new ATOM 0 HD2 HIS A 80 15.468 -6.754 11.937 1.00 0.27 H new ATOM 0 HE1 HIS A 80 16.264 -6.533 7.789 1.00 0.33 H new ATOM 1282 N THR A 81 14.209 -12.092 12.037 1.00 0.61 N ATOM 1283 CA THR A 81 14.343 -13.446 12.588 1.00 0.72 C ATOM 1284 C THR A 81 13.605 -14.430 11.677 1.00 0.79 C ATOM 1285 O THR A 81 14.169 -15.451 11.301 1.00 1.03 O ATOM 1286 CB THR A 81 13.849 -13.467 14.051 1.00 0.78 C ATOM 1287 OG1 THR A 81 12.506 -12.992 14.124 1.00 0.86 O ATOM 1288 CG2 THR A 81 14.763 -12.549 14.884 1.00 1.00 C ATOM 0 H THR A 81 13.769 -11.403 12.647 1.00 0.61 H new ATOM 0 HA THR A 81 15.387 -13.757 12.615 1.00 0.72 H new ATOM 0 HB THR A 81 13.879 -14.487 14.435 1.00 0.78 H new ATOM 0 HG1 THR A 81 12.239 -12.630 13.253 1.00 0.86 H new ATOM 0 HG21 THR A 81 14.431 -12.550 15.922 1.00 1.00 H new ATOM 0 HG22 THR A 81 15.789 -12.912 14.831 1.00 1.00 H new ATOM 0 HG23 THR A 81 14.717 -11.534 14.489 1.00 1.00 H new ATOM 1296 N GLY A 82 12.381 -14.153 11.285 1.00 0.75 N ATOM 1297 CA GLY A 82 11.681 -15.106 10.384 1.00 0.91 C ATOM 1298 C GLY A 82 11.076 -16.252 11.208 1.00 1.85 C ATOM 0 H GLY A 82 11.851 -13.322 11.548 1.00 0.75 H new ATOM 0 HA2 GLY A 82 10.896 -14.589 9.832 1.00 0.91 H new ATOM 0 HA3 GLY A 82 12.379 -15.504 9.648 1.00 0.91 H new