USER MOD reduce.3.24.130724 H: found=0, std=0, add=1140, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1140 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 38 ASN : amide:sc= 0.681 K(o=1.5,f=0.22) USER MOD Set 1.2: B 48 TYR OH : rot 43:sc= 0.778 USER MOD Set 2.1: A 48 TYR OH : rot 16:sc= 0.243 USER MOD Set 2.2: B 38 ASN : amide:sc= 0.218 K(o=0.46,f=-0.68) USER MOD Set 3.1: B 16 ASN : amide:sc= -0.377 K(o=0.83,f=-1.2!) USER MOD Set 3.2: B 20 THR OG1 : rot 65:sc= 1.2 USER MOD Set 4.1: A 23 LYS NZ :NH3+ -177:sc= 1.06 (180deg=0) USER MOD Set 4.2: A 51 TYR OH : rot 30:sc= 0.913 USER MOD Set 5.1: A 16 ASN : amide:sc= -0.305 K(o=0.67,f=-1.2!) USER MOD Set 5.2: A 20 THR OG1 : rot 83:sc= 0.979 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0973 (180deg=-0.572) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.16 (180deg=1.03) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0359) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.03) USER MOD Single : A 18 GLN : amide:sc= -1.83! K(o=-1.8!,f=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= -0.496 K(o=-0.5,f=-3.2) USER MOD Single : A 35 THR OG1 : rot -165:sc= 1.21 USER MOD Single : A 41 MET CE :methyl 164:sc= -1.47 (180deg=-2.57!) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.08) USER MOD Single : A 47 THR OG1 : rot 92:sc= -0.326! USER MOD Single : A 53 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.35) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 78:sc= 0.961 USER MOD Single : A 61 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 63 SER OG : rot 79:sc= 1.17 USER MOD Single : A 66 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.22) USER MOD Single : A 67 HIS : no HE2:sc= 1.05 K(o=1.1,f=-4.5!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 141:sc=-0.00575 (180deg=-0.374) USER MOD Single : B 2 SER OG : rot 89:sc= 1.41 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 GLN : amide:sc= -0.0519 X(o=-0.052,f=-0.26) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 MET CE :methyl -160:sc= -0.208 (180deg=-0.927) USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Single : B 35 THR OG1 : rot 68:sc= 1.2 USER MOD Single : B 41 MET CE :methyl -167:sc= -0.108 (180deg=-0.448) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 THR OG1 : rot 81:sc= 0.538 USER MOD Single : B 51 TYR OH : rot 130:sc= -0.0455 USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 59 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0272) USER MOD Single : B 60 SER OG : rot 81:sc= 0.824 USER MOD Single : B 61 THR OG1 : rot 65:sc= 1.29 USER MOD Single : B 63 SER OG : rot 71:sc= 1.23 USER MOD Single : B 66 HIS : no HD1:sc= -0.0614 X(o=-0.061,f=-0.061) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 68 HIS : no HD1:sc= -0.0535 X(o=-0.053,f=-0.54) USER MOD Single : B 69 HIS : no HD1:sc= -0.0725 X(o=-0.073,f=-0.0011) USER MOD Single : B 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 71 HIS : no HD1:sc= -0.0501 X(o=-0.05,f=-0.0082) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.227 -4.662 -21.402 1.00 0.00 N ATOM 2 CA MET A 1 30.693 -4.853 -21.322 1.00 0.00 C ATOM 3 C MET A 1 31.277 -4.033 -20.179 1.00 0.00 C ATOM 4 O MET A 1 30.688 -3.032 -19.765 1.00 0.00 O ATOM 5 CB MET A 1 31.360 -4.433 -22.638 1.00 0.00 C ATOM 6 CG MET A 1 31.341 -2.932 -22.894 1.00 0.00 C ATOM 7 SD MET A 1 32.100 -2.490 -24.470 1.00 0.00 S ATOM 8 CE MET A 1 30.933 -3.215 -25.618 1.00 0.00 C ATOM 0 H1 MET A 1 28.855 -5.174 -22.227 1.00 0.00 H new ATOM 0 H2 MET A 1 28.781 -5.029 -20.537 1.00 0.00 H new ATOM 0 H3 MET A 1 29.014 -3.649 -21.498 1.00 0.00 H new ATOM 0 HA MET A 1 30.886 -5.910 -21.141 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.394 -4.777 -22.634 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.859 -4.938 -23.464 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.311 -2.577 -22.879 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.866 -2.422 -22.086 1.00 0.00 H new ATOM 0 HE1 MET A 1 31.046 -2.747 -26.596 1.00 0.00 H new ATOM 0 HE2 MET A 1 31.123 -4.285 -25.703 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.918 -3.055 -25.255 1.00 0.00 H new ATOM 20 N SER A 2 32.419 -4.492 -19.658 1.00 0.00 N ATOM 21 CA SER A 2 33.179 -3.780 -18.624 1.00 0.00 C ATOM 22 C SER A 2 32.499 -3.831 -17.259 1.00 0.00 C ATOM 23 O SER A 2 33.058 -3.399 -16.248 1.00 0.00 O ATOM 24 CB SER A 2 33.412 -2.331 -19.036 1.00 0.00 C ATOM 25 OG SER A 2 34.240 -2.255 -20.186 1.00 0.00 O ATOM 0 H SER A 2 32.845 -5.374 -19.943 1.00 0.00 H new ATOM 0 HA SER A 2 34.137 -4.291 -18.529 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.456 -1.849 -19.240 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.875 -1.786 -18.214 1.00 0.00 H new ATOM 0 HG SER A 2 34.373 -1.316 -20.432 1.00 0.00 H new ATOM 31 N GLU A 3 31.311 -4.380 -17.239 1.00 0.00 N ATOM 32 CA GLU A 3 30.530 -4.490 -16.024 1.00 0.00 C ATOM 33 C GLU A 3 30.870 -5.779 -15.288 1.00 0.00 C ATOM 34 O GLU A 3 30.567 -6.881 -15.742 1.00 0.00 O ATOM 35 CB GLU A 3 29.036 -4.398 -16.346 1.00 0.00 C ATOM 36 CG GLU A 3 28.566 -5.364 -17.424 1.00 0.00 C ATOM 37 CD GLU A 3 27.360 -4.848 -18.180 1.00 0.00 C ATOM 38 OE1 GLU A 3 26.289 -4.664 -17.565 1.00 0.00 O ATOM 39 OE2 GLU A 3 27.477 -4.620 -19.404 1.00 0.00 O ATOM 0 H GLU A 3 30.853 -4.766 -18.065 1.00 0.00 H new ATOM 0 HA GLU A 3 30.779 -3.660 -15.363 1.00 0.00 H new ATOM 0 HB2 GLU A 3 28.468 -4.585 -15.435 1.00 0.00 H new ATOM 0 HB3 GLU A 3 28.806 -3.380 -16.662 1.00 0.00 H new ATOM 0 HG2 GLU A 3 29.380 -5.545 -18.126 1.00 0.00 H new ATOM 0 HG3 GLU A 3 28.321 -6.323 -16.966 1.00 0.00 H new ATOM 46 N GLY A 4 31.534 -5.618 -14.158 1.00 0.00 N ATOM 47 CA GLY A 4 32.006 -6.747 -13.391 1.00 0.00 C ATOM 48 C GLY A 4 30.886 -7.528 -12.743 1.00 0.00 C ATOM 49 O GLY A 4 29.960 -6.953 -12.171 1.00 0.00 O ATOM 0 H GLY A 4 31.758 -4.709 -13.753 1.00 0.00 H new ATOM 0 HA2 GLY A 4 32.575 -7.410 -14.043 1.00 0.00 H new ATOM 0 HA3 GLY A 4 32.690 -6.395 -12.619 1.00 0.00 H new ATOM 53 N ALA A 5 30.986 -8.847 -12.824 1.00 0.00 N ATOM 54 CA ALA A 5 29.991 -9.740 -12.238 1.00 0.00 C ATOM 55 C ALA A 5 29.912 -9.573 -10.723 1.00 0.00 C ATOM 56 O ALA A 5 28.903 -9.915 -10.104 1.00 0.00 O ATOM 57 CB ALA A 5 30.297 -11.185 -12.596 1.00 0.00 C ATOM 0 H ALA A 5 31.753 -9.328 -13.294 1.00 0.00 H new ATOM 0 HA ALA A 5 29.020 -9.472 -12.654 1.00 0.00 H new ATOM 0 HB1 ALA A 5 29.545 -11.837 -12.151 1.00 0.00 H new ATOM 0 HB2 ALA A 5 30.283 -11.302 -13.680 1.00 0.00 H new ATOM 0 HB3 ALA A 5 31.282 -11.454 -12.214 1.00 0.00 H new ATOM 63 N GLU A 6 30.977 -9.048 -10.131 1.00 0.00 N ATOM 64 CA GLU A 6 30.996 -8.759 -8.702 1.00 0.00 C ATOM 65 C GLU A 6 30.016 -7.636 -8.381 1.00 0.00 C ATOM 66 O GLU A 6 29.241 -7.717 -7.427 1.00 0.00 O ATOM 67 CB GLU A 6 32.399 -8.350 -8.266 1.00 0.00 C ATOM 68 CG GLU A 6 33.467 -9.379 -8.586 1.00 0.00 C ATOM 69 CD GLU A 6 33.220 -10.714 -7.912 1.00 0.00 C ATOM 70 OE1 GLU A 6 32.814 -10.725 -6.732 1.00 0.00 O ATOM 71 OE2 GLU A 6 33.453 -11.761 -8.553 1.00 0.00 O ATOM 0 H GLU A 6 31.841 -8.813 -10.619 1.00 0.00 H new ATOM 0 HA GLU A 6 30.701 -9.659 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 6 32.659 -7.408 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 6 32.396 -8.166 -7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 6 33.512 -9.525 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 6 34.439 -8.995 -8.276 1.00 0.00 H new ATOM 78 N GLU A 7 30.058 -6.593 -9.201 1.00 0.00 N ATOM 79 CA GLU A 7 29.171 -5.443 -9.049 1.00 0.00 C ATOM 80 C GLU A 7 27.739 -5.845 -9.376 1.00 0.00 C ATOM 81 O GLU A 7 26.784 -5.316 -8.809 1.00 0.00 O ATOM 82 CB GLU A 7 29.620 -4.318 -9.980 1.00 0.00 C ATOM 83 CG GLU A 7 29.128 -2.939 -9.569 1.00 0.00 C ATOM 84 CD GLU A 7 29.702 -2.488 -8.240 1.00 0.00 C ATOM 85 OE1 GLU A 7 30.864 -2.019 -8.217 1.00 0.00 O ATOM 86 OE2 GLU A 7 29.000 -2.591 -7.216 1.00 0.00 O ATOM 0 H GLU A 7 30.704 -6.519 -9.987 1.00 0.00 H new ATOM 0 HA GLU A 7 29.214 -5.093 -8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 7 30.709 -4.307 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.267 -4.533 -10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.396 -2.217 -10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 7 28.040 -2.949 -9.506 1.00 0.00 H new ATOM 93 N LEU A 8 27.609 -6.789 -10.297 1.00 0.00 N ATOM 94 CA LEU A 8 26.331 -7.342 -10.669 1.00 0.00 C ATOM 95 C LEU A 8 25.686 -8.032 -9.468 1.00 0.00 C ATOM 96 O LEU A 8 24.494 -7.874 -9.203 1.00 0.00 O ATOM 97 CB LEU A 8 26.549 -8.334 -11.806 1.00 0.00 C ATOM 98 CG LEU A 8 25.300 -9.047 -12.274 1.00 0.00 C ATOM 99 CD1 LEU A 8 24.397 -8.096 -13.043 1.00 0.00 C ATOM 100 CD2 LEU A 8 25.657 -10.264 -13.112 1.00 0.00 C ATOM 0 H LEU A 8 28.397 -7.190 -10.806 1.00 0.00 H new ATOM 0 HA LEU A 8 25.660 -6.549 -10.998 1.00 0.00 H new ATOM 0 HB2 LEU A 8 26.987 -7.805 -12.652 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.277 -9.079 -11.485 1.00 0.00 H new ATOM 0 HG LEU A 8 24.753 -9.394 -11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 8 23.504 -8.628 -13.371 1.00 0.00 H new ATOM 0 HD12 LEU A 8 24.109 -7.266 -12.398 1.00 0.00 H new ATOM 0 HD13 LEU A 8 24.930 -7.711 -13.912 1.00 0.00 H new ATOM 0 HD21 LEU A 8 24.744 -10.762 -13.438 1.00 0.00 H new ATOM 0 HD22 LEU A 8 26.230 -9.950 -13.984 1.00 0.00 H new ATOM 0 HD23 LEU A 8 26.253 -10.954 -12.515 1.00 0.00 H new ATOM 112 N LYS A 9 26.497 -8.788 -8.741 1.00 0.00 N ATOM 113 CA LYS A 9 26.055 -9.459 -7.523 1.00 0.00 C ATOM 114 C LYS A 9 25.725 -8.439 -6.448 1.00 0.00 C ATOM 115 O LYS A 9 24.749 -8.587 -5.721 1.00 0.00 O ATOM 116 CB LYS A 9 27.151 -10.402 -7.028 1.00 0.00 C ATOM 117 CG LYS A 9 26.747 -11.286 -5.858 1.00 0.00 C ATOM 118 CD LYS A 9 25.575 -12.196 -6.200 1.00 0.00 C ATOM 119 CE LYS A 9 25.358 -13.256 -5.129 1.00 0.00 C ATOM 120 NZ LYS A 9 25.090 -12.667 -3.789 1.00 0.00 N ATOM 0 H LYS A 9 27.476 -8.954 -8.976 1.00 0.00 H new ATOM 0 HA LYS A 9 25.156 -10.035 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.465 -11.038 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.017 -9.809 -6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.599 -11.894 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.481 -10.659 -5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.670 -11.599 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 9 25.757 -12.679 -7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 9 24.521 -13.892 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.239 -13.895 -5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.833 -13.423 -3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.943 -12.179 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.307 -11.986 -3.859 1.00 0.00 H new ATOM 134 N ALA A 10 26.552 -7.409 -6.355 1.00 0.00 N ATOM 135 CA ALA A 10 26.311 -6.317 -5.420 1.00 0.00 C ATOM 136 C ALA A 10 24.969 -5.640 -5.710 1.00 0.00 C ATOM 137 O ALA A 10 24.230 -5.286 -4.792 1.00 0.00 O ATOM 138 CB ALA A 10 27.444 -5.305 -5.482 1.00 0.00 C ATOM 0 H ALA A 10 27.398 -7.305 -6.916 1.00 0.00 H new ATOM 0 HA ALA A 10 26.272 -6.732 -4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 10 27.248 -4.496 -4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 10 28.383 -5.794 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 10 27.514 -4.899 -6.491 1.00 0.00 H new ATOM 144 N LYS A 11 24.667 -5.465 -6.994 1.00 0.00 N ATOM 145 CA LYS A 11 23.380 -4.922 -7.418 1.00 0.00 C ATOM 146 C LYS A 11 22.244 -5.836 -6.971 1.00 0.00 C ATOM 147 O LYS A 11 21.260 -5.387 -6.382 1.00 0.00 O ATOM 148 CB LYS A 11 23.347 -4.762 -8.941 1.00 0.00 C ATOM 149 CG LYS A 11 22.080 -4.101 -9.469 1.00 0.00 C ATOM 150 CD LYS A 11 21.995 -2.634 -9.078 1.00 0.00 C ATOM 151 CE LYS A 11 20.707 -1.998 -9.587 1.00 0.00 C ATOM 152 NZ LYS A 11 20.660 -0.537 -9.316 1.00 0.00 N ATOM 0 H LYS A 11 25.299 -5.693 -7.761 1.00 0.00 H new ATOM 0 HA LYS A 11 23.250 -3.944 -6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.209 -4.172 -9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 11 23.450 -5.745 -9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 11 22.052 -4.189 -10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 11 21.208 -4.630 -9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 11 22.045 -2.541 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 11 22.853 -2.097 -9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.617 -2.170 -10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.853 -2.482 -9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.767 -0.145 -9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.719 -0.372 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.460 -0.070 -9.789 1.00 0.00 H new ATOM 166 N LEU A 12 22.392 -7.122 -7.260 1.00 0.00 N ATOM 167 CA LEU A 12 21.414 -8.124 -6.844 1.00 0.00 C ATOM 168 C LEU A 12 21.239 -8.111 -5.329 1.00 0.00 C ATOM 169 O LEU A 12 20.121 -8.170 -4.827 1.00 0.00 O ATOM 170 CB LEU A 12 21.850 -9.515 -7.308 1.00 0.00 C ATOM 171 CG LEU A 12 20.927 -10.664 -6.895 1.00 0.00 C ATOM 172 CD1 LEU A 12 19.540 -10.480 -7.491 1.00 0.00 C ATOM 173 CD2 LEU A 12 21.521 -11.997 -7.320 1.00 0.00 C ATOM 0 H LEU A 12 23.182 -7.499 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 12 20.457 -7.879 -7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.930 -9.508 -8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.848 -9.714 -6.916 1.00 0.00 H new ATOM 0 HG LEU A 12 20.833 -10.658 -5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.900 -11.307 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.114 -9.541 -7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 12 19.611 -10.459 -8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 12 20.854 -12.805 -7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 12 21.644 -12.012 -8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.492 -12.132 -6.843 1.00 0.00 H new ATOM 185 N LYS A 13 22.356 -8.026 -4.617 1.00 0.00 N ATOM 186 CA LYS A 13 22.343 -7.962 -3.156 1.00 0.00 C ATOM 187 C LYS A 13 21.505 -6.779 -2.681 1.00 0.00 C ATOM 188 O LYS A 13 20.649 -6.914 -1.804 1.00 0.00 O ATOM 189 CB LYS A 13 23.769 -7.819 -2.620 1.00 0.00 C ATOM 190 CG LYS A 13 23.860 -7.884 -1.104 1.00 0.00 C ATOM 191 CD LYS A 13 25.238 -7.479 -0.605 1.00 0.00 C ATOM 192 CE LYS A 13 25.316 -7.524 0.911 1.00 0.00 C ATOM 193 NZ LYS A 13 26.578 -6.925 1.423 1.00 0.00 N ATOM 0 H LYS A 13 23.289 -8.000 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 13 21.905 -8.886 -2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 13 24.389 -8.607 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 13 24.182 -6.869 -2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 13 23.107 -7.229 -0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 13 23.635 -8.897 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.990 -8.145 -1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 13 25.471 -6.473 -0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 13 24.464 -6.991 1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 13 25.243 -8.558 1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 26.590 -6.976 2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.391 -7.449 1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 26.636 -5.930 1.125 1.00 0.00 H new ATOM 207 N LYS A 14 21.770 -5.626 -3.280 1.00 0.00 N ATOM 208 CA LYS A 14 21.060 -4.390 -2.967 1.00 0.00 C ATOM 209 C LYS A 14 19.549 -4.574 -3.116 1.00 0.00 C ATOM 210 O LYS A 14 18.780 -4.242 -2.208 1.00 0.00 O ATOM 211 CB LYS A 14 21.557 -3.280 -3.900 1.00 0.00 C ATOM 212 CG LYS A 14 20.955 -1.908 -3.641 1.00 0.00 C ATOM 213 CD LYS A 14 21.324 -1.378 -2.267 1.00 0.00 C ATOM 214 CE LYS A 14 21.057 0.115 -2.154 1.00 0.00 C ATOM 215 NZ LYS A 14 19.634 0.458 -2.425 1.00 0.00 N ATOM 0 H LYS A 14 22.485 -5.520 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 14 21.259 -4.116 -1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 14 22.641 -3.208 -3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.341 -3.567 -4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 14 21.300 -1.210 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.870 -1.965 -3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 14 20.753 -1.909 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 14 22.378 -1.576 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 14 21.326 0.455 -1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 14 21.697 0.650 -2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 19.479 1.469 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 19.411 0.252 -3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.017 -0.107 -1.808 1.00 0.00 H new ATOM 229 N LEU A 15 19.135 -5.121 -4.252 1.00 0.00 N ATOM 230 CA LEU A 15 17.719 -5.341 -4.531 1.00 0.00 C ATOM 231 C LEU A 15 17.129 -6.417 -3.622 1.00 0.00 C ATOM 232 O LEU A 15 16.020 -6.264 -3.108 1.00 0.00 O ATOM 233 CB LEU A 15 17.512 -5.720 -6.003 1.00 0.00 C ATOM 234 CG LEU A 15 17.303 -4.543 -6.962 1.00 0.00 C ATOM 235 CD1 LEU A 15 16.109 -3.706 -6.525 1.00 0.00 C ATOM 236 CD2 LEU A 15 18.554 -3.683 -7.048 1.00 0.00 C ATOM 0 H LEU A 15 19.761 -5.422 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 15 17.196 -4.407 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 15 18.378 -6.291 -6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.648 -6.381 -6.072 1.00 0.00 H new ATOM 0 HG LEU A 15 17.100 -4.946 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.975 -2.874 -7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.212 -4.325 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.284 -3.318 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.380 -2.855 -7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.794 -3.291 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.386 -4.286 -7.411 1.00 0.00 H new ATOM 248 N ASN A 16 17.879 -7.493 -3.423 1.00 0.00 N ATOM 249 CA ASN A 16 17.434 -8.612 -2.594 1.00 0.00 C ATOM 250 C ASN A 16 17.133 -8.140 -1.173 1.00 0.00 C ATOM 251 O ASN A 16 16.047 -8.387 -0.639 1.00 0.00 O ATOM 252 CB ASN A 16 18.514 -9.702 -2.570 1.00 0.00 C ATOM 253 CG ASN A 16 18.039 -11.015 -1.961 1.00 0.00 C ATOM 254 OD1 ASN A 16 17.158 -11.043 -1.105 1.00 0.00 O ATOM 255 ND2 ASN A 16 18.635 -12.114 -2.396 1.00 0.00 N ATOM 0 H ASN A 16 18.807 -7.617 -3.827 1.00 0.00 H new ATOM 0 HA ASN A 16 16.519 -9.023 -3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 16 18.856 -9.886 -3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 16 19.373 -9.339 -2.006 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.367 -13.023 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 16 19.363 -12.052 -3.108 1.00 0.00 H new ATOM 262 N ALA A 17 18.088 -7.437 -0.577 1.00 0.00 N ATOM 263 CA ALA A 17 17.943 -6.965 0.792 1.00 0.00 C ATOM 264 C ALA A 17 16.792 -5.972 0.913 1.00 0.00 C ATOM 265 O ALA A 17 16.009 -6.029 1.862 1.00 0.00 O ATOM 266 CB ALA A 17 19.240 -6.335 1.274 1.00 0.00 C ATOM 0 H ALA A 17 18.970 -7.182 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 17 17.714 -7.824 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 17 19.116 -5.987 2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 17 20.040 -7.075 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 17 19.495 -5.491 0.633 1.00 0.00 H new ATOM 272 N GLN A 18 16.686 -5.079 -0.065 1.00 0.00 N ATOM 273 CA GLN A 18 15.659 -4.042 -0.052 1.00 0.00 C ATOM 274 C GLN A 18 14.263 -4.658 -0.119 1.00 0.00 C ATOM 275 O GLN A 18 13.393 -4.338 0.692 1.00 0.00 O ATOM 276 CB GLN A 18 15.864 -3.077 -1.225 1.00 0.00 C ATOM 277 CG GLN A 18 15.019 -1.815 -1.142 1.00 0.00 C ATOM 278 CD GLN A 18 15.197 -0.911 -2.346 1.00 0.00 C ATOM 279 OE1 GLN A 18 16.085 -0.059 -2.374 1.00 0.00 O ATOM 280 NE2 GLN A 18 14.345 -1.083 -3.344 1.00 0.00 N ATOM 0 H GLN A 18 17.300 -5.052 -0.879 1.00 0.00 H new ATOM 0 HA GLN A 18 15.747 -3.489 0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.916 -2.795 -1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.632 -3.597 -2.155 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.968 -2.091 -1.053 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.282 -1.265 -0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.623 -1.801 -3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.410 -0.498 -4.177 1.00 0.00 H new ATOM 289 N ALA A 19 14.063 -5.561 -1.076 1.00 0.00 N ATOM 290 CA ALA A 19 12.758 -6.182 -1.287 1.00 0.00 C ATOM 291 C ALA A 19 12.339 -7.017 -0.084 1.00 0.00 C ATOM 292 O ALA A 19 11.172 -7.021 0.307 1.00 0.00 O ATOM 293 CB ALA A 19 12.781 -7.041 -2.544 1.00 0.00 C ATOM 0 H ALA A 19 14.789 -5.879 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 19 12.024 -5.386 -1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.802 -7.498 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.023 -6.419 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.534 -7.822 -2.437 1.00 0.00 H new ATOM 299 N THR A 20 13.296 -7.717 0.504 1.00 0.00 N ATOM 300 CA THR A 20 13.016 -8.589 1.631 1.00 0.00 C ATOM 301 C THR A 20 12.732 -7.789 2.906 1.00 0.00 C ATOM 302 O THR A 20 11.823 -8.124 3.666 1.00 0.00 O ATOM 303 CB THR A 20 14.183 -9.566 1.866 1.00 0.00 C ATOM 304 OG1 THR A 20 14.443 -10.292 0.654 1.00 0.00 O ATOM 305 CG2 THR A 20 13.868 -10.547 2.990 1.00 0.00 C ATOM 0 H THR A 20 14.275 -7.697 0.218 1.00 0.00 H new ATOM 0 HA THR A 20 12.121 -9.160 1.387 1.00 0.00 H new ATOM 0 HB THR A 20 15.061 -8.989 2.157 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.010 -9.752 0.064 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.712 -11.223 3.130 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.686 -9.997 3.913 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.980 -11.124 2.731 1.00 0.00 H new ATOM 313 N ALA A 21 13.489 -6.717 3.121 1.00 0.00 N ATOM 314 CA ALA A 21 13.329 -5.898 4.318 1.00 0.00 C ATOM 315 C ALA A 21 11.946 -5.258 4.365 1.00 0.00 C ATOM 316 O ALA A 21 11.275 -5.288 5.397 1.00 0.00 O ATOM 317 CB ALA A 21 14.412 -4.830 4.388 1.00 0.00 C ATOM 0 H ALA A 21 14.218 -6.396 2.484 1.00 0.00 H new ATOM 0 HA ALA A 21 13.429 -6.551 5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.274 -4.231 5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.392 -5.307 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.346 -4.187 3.510 1.00 0.00 H new ATOM 323 N LEU A 22 11.518 -4.701 3.238 1.00 0.00 N ATOM 324 CA LEU A 22 10.226 -4.028 3.158 1.00 0.00 C ATOM 325 C LEU A 22 9.066 -5.010 3.298 1.00 0.00 C ATOM 326 O LEU A 22 7.987 -4.634 3.749 1.00 0.00 O ATOM 327 CB LEU A 22 10.099 -3.250 1.840 1.00 0.00 C ATOM 328 CG LEU A 22 10.649 -1.815 1.852 1.00 0.00 C ATOM 329 CD1 LEU A 22 9.920 -0.973 2.888 1.00 0.00 C ATOM 330 CD2 LEU A 22 12.146 -1.798 2.114 1.00 0.00 C ATOM 0 H LEU A 22 12.047 -4.702 2.366 1.00 0.00 H new ATOM 0 HA LEU A 22 10.176 -3.327 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.614 -3.809 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.046 -3.212 1.563 1.00 0.00 H new ATOM 0 HG LEU A 22 10.477 -1.385 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.323 0.040 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.857 -0.942 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.057 -1.412 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.503 -0.768 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.351 -2.255 3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.659 -2.358 1.332 1.00 0.00 H new ATOM 342 N LYS A 23 9.291 -6.269 2.928 1.00 0.00 N ATOM 343 CA LYS A 23 8.243 -7.285 3.003 1.00 0.00 C ATOM 344 C LYS A 23 7.766 -7.481 4.440 1.00 0.00 C ATOM 345 O LYS A 23 6.574 -7.359 4.731 1.00 0.00 O ATOM 346 CB LYS A 23 8.740 -8.620 2.446 1.00 0.00 C ATOM 347 CG LYS A 23 7.678 -9.710 2.470 1.00 0.00 C ATOM 348 CD LYS A 23 8.241 -11.061 2.064 1.00 0.00 C ATOM 349 CE LYS A 23 8.845 -11.017 0.673 1.00 0.00 C ATOM 350 NZ LYS A 23 9.296 -12.356 0.220 1.00 0.00 N ATOM 0 H LYS A 23 10.185 -6.609 2.575 1.00 0.00 H new ATOM 0 HA LYS A 23 7.406 -6.934 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.080 -8.475 1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.603 -8.949 3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.253 -9.780 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.865 -9.439 1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.001 -11.370 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.450 -11.810 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.109 -10.626 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.690 -10.328 0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.748 -12.273 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.979 -12.741 0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.477 -12.994 0.152 1.00 0.00 H new ATOM 364 N MET A 24 8.698 -7.784 5.337 1.00 0.00 N ATOM 365 CA MET A 24 8.364 -8.005 6.743 1.00 0.00 C ATOM 366 C MET A 24 7.886 -6.714 7.391 1.00 0.00 C ATOM 367 O MET A 24 7.044 -6.732 8.292 1.00 0.00 O ATOM 368 CB MET A 24 9.566 -8.562 7.515 1.00 0.00 C ATOM 369 CG MET A 24 9.882 -10.021 7.210 1.00 0.00 C ATOM 370 SD MET A 24 10.418 -10.289 5.508 1.00 0.00 S ATOM 371 CE MET A 24 10.673 -12.064 5.508 1.00 0.00 C ATOM 0 H MET A 24 9.689 -7.883 5.118 1.00 0.00 H new ATOM 0 HA MET A 24 7.559 -8.739 6.780 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.443 -7.956 7.286 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.377 -8.458 8.583 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.661 -10.367 7.889 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.997 -10.627 7.405 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.007 -12.384 4.521 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.429 -12.323 6.249 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.737 -12.566 5.754 1.00 0.00 H new ATOM 381 N ASP A 25 8.420 -5.598 6.915 1.00 0.00 N ATOM 382 CA ASP A 25 8.047 -4.284 7.421 1.00 0.00 C ATOM 383 C ASP A 25 6.597 -3.971 7.048 1.00 0.00 C ATOM 384 O ASP A 25 5.835 -3.428 7.851 1.00 0.00 O ATOM 385 CB ASP A 25 8.997 -3.222 6.855 1.00 0.00 C ATOM 386 CG ASP A 25 8.868 -1.881 7.544 1.00 0.00 C ATOM 387 OD1 ASP A 25 8.992 -1.829 8.784 1.00 0.00 O ATOM 388 OD2 ASP A 25 8.663 -0.868 6.851 1.00 0.00 O ATOM 0 H ASP A 25 9.119 -5.577 6.173 1.00 0.00 H new ATOM 0 HA ASP A 25 8.129 -4.279 8.508 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.024 -3.575 6.949 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.799 -3.097 5.790 1.00 0.00 H new ATOM 393 N LEU A 26 6.220 -4.345 5.830 1.00 0.00 N ATOM 394 CA LEU A 26 4.857 -4.162 5.348 1.00 0.00 C ATOM 395 C LEU A 26 3.907 -5.147 6.019 1.00 0.00 C ATOM 396 O LEU A 26 2.812 -4.777 6.434 1.00 0.00 O ATOM 397 CB LEU A 26 4.802 -4.349 3.827 1.00 0.00 C ATOM 398 CG LEU A 26 3.417 -4.193 3.196 1.00 0.00 C ATOM 399 CD1 LEU A 26 2.892 -2.775 3.384 1.00 0.00 C ATOM 400 CD2 LEU A 26 3.470 -4.552 1.719 1.00 0.00 C ATOM 0 H LEU A 26 6.847 -4.781 5.153 1.00 0.00 H new ATOM 0 HA LEU A 26 4.544 -3.148 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.476 -3.628 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.183 -5.342 3.586 1.00 0.00 H new ATOM 0 HG LEU A 26 2.731 -4.876 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.906 -2.688 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.819 -2.552 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.574 -2.069 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.479 -4.437 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.171 -3.891 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.799 -5.585 1.607 1.00 0.00 H new ATOM 412 N HIS A 27 4.339 -6.400 6.129 1.00 0.00 N ATOM 413 CA HIS A 27 3.500 -7.461 6.680 1.00 0.00 C ATOM 414 C HIS A 27 3.067 -7.125 8.104 1.00 0.00 C ATOM 415 O HIS A 27 1.897 -7.264 8.452 1.00 0.00 O ATOM 416 CB HIS A 27 4.246 -8.801 6.654 1.00 0.00 C ATOM 417 CG HIS A 27 3.362 -9.986 6.904 1.00 0.00 C ATOM 418 ND1 HIS A 27 3.326 -10.665 8.098 1.00 0.00 N ATOM 419 CD2 HIS A 27 2.481 -10.613 6.094 1.00 0.00 C ATOM 420 CE1 HIS A 27 2.463 -11.658 8.010 1.00 0.00 C ATOM 421 NE2 HIS A 27 1.933 -11.649 6.804 1.00 0.00 N ATOM 0 H HIS A 27 5.269 -6.707 5.843 1.00 0.00 H new ATOM 0 HA HIS A 27 2.607 -7.545 6.061 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.731 -8.918 5.685 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.035 -8.782 7.405 1.00 0.00 H new ATOM 0 HD1 HIS A 27 3.880 -10.437 8.923 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.251 -10.346 5.073 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.230 -12.361 8.796 1.00 0.00 H new ATOM 430 N ASP A 28 4.013 -6.654 8.908 1.00 0.00 N ATOM 431 CA ASP A 28 3.739 -6.284 10.298 1.00 0.00 C ATOM 432 C ASP A 28 2.730 -5.139 10.369 1.00 0.00 C ATOM 433 O ASP A 28 1.898 -5.078 11.277 1.00 0.00 O ATOM 434 CB ASP A 28 5.043 -5.886 11.000 1.00 0.00 C ATOM 435 CG ASP A 28 4.834 -5.463 12.445 1.00 0.00 C ATOM 436 OD1 ASP A 28 4.786 -6.346 13.329 1.00 0.00 O ATOM 437 OD2 ASP A 28 4.737 -4.247 12.704 1.00 0.00 O ATOM 0 H ASP A 28 4.983 -6.518 8.622 1.00 0.00 H new ATOM 0 HA ASP A 28 3.309 -7.147 10.806 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.737 -6.726 10.970 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.509 -5.068 10.451 1.00 0.00 H new ATOM 442 N LEU A 29 2.798 -4.244 9.391 1.00 0.00 N ATOM 443 CA LEU A 29 1.904 -3.093 9.334 1.00 0.00 C ATOM 444 C LEU A 29 0.526 -3.498 8.812 1.00 0.00 C ATOM 445 O LEU A 29 -0.498 -3.012 9.286 1.00 0.00 O ATOM 446 CB LEU A 29 2.513 -2.010 8.437 1.00 0.00 C ATOM 447 CG LEU A 29 1.699 -0.721 8.305 1.00 0.00 C ATOM 448 CD1 LEU A 29 1.555 -0.031 9.654 1.00 0.00 C ATOM 449 CD2 LEU A 29 2.349 0.209 7.293 1.00 0.00 C ATOM 0 H LEU A 29 3.467 -4.294 8.622 1.00 0.00 H new ATOM 0 HA LEU A 29 1.781 -2.698 10.343 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.500 -1.756 8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.659 -2.429 7.441 1.00 0.00 H new ATOM 0 HG LEU A 29 0.701 -0.978 7.951 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.973 0.883 9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.046 -0.697 10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.543 0.216 10.043 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.761 1.123 7.208 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.358 0.457 7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.395 -0.285 6.322 1.00 0.00 H new ATOM 461 N ALA A 30 0.513 -4.406 7.843 1.00 0.00 N ATOM 462 CA ALA A 30 -0.725 -4.840 7.209 1.00 0.00 C ATOM 463 C ALA A 30 -1.557 -5.710 8.144 1.00 0.00 C ATOM 464 O ALA A 30 -2.778 -5.785 8.009 1.00 0.00 O ATOM 465 CB ALA A 30 -0.426 -5.582 5.915 1.00 0.00 C ATOM 0 H ALA A 30 1.351 -4.858 7.478 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.310 -3.950 6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.361 -5.900 5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.110 -4.922 5.233 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.188 -6.457 6.131 1.00 0.00 H new ATOM 471 N GLU A 31 -0.897 -6.386 9.076 1.00 0.00 N ATOM 472 CA GLU A 31 -1.602 -7.184 10.058 1.00 0.00 C ATOM 473 C GLU A 31 -2.244 -6.294 11.112 1.00 0.00 C ATOM 474 O GLU A 31 -3.409 -6.478 11.466 1.00 0.00 O ATOM 475 CB GLU A 31 -0.653 -8.170 10.724 1.00 0.00 C ATOM 476 CG GLU A 31 -0.134 -9.252 9.797 1.00 0.00 C ATOM 477 CD GLU A 31 0.673 -10.294 10.535 1.00 0.00 C ATOM 478 OE1 GLU A 31 1.644 -9.917 11.225 1.00 0.00 O ATOM 479 OE2 GLU A 31 0.345 -11.494 10.427 1.00 0.00 O ATOM 0 H GLU A 31 0.119 -6.395 9.169 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.386 -7.740 9.543 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.194 -7.621 11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.165 -8.640 11.563 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.974 -9.733 9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.483 -8.799 9.021 1.00 0.00 H new ATOM 486 N ASP A 32 -1.495 -5.322 11.608 1.00 0.00 N ATOM 487 CA ASP A 32 -2.027 -4.423 12.617 1.00 0.00 C ATOM 488 C ASP A 32 -2.493 -3.128 11.969 1.00 0.00 C ATOM 489 O ASP A 32 -1.783 -2.118 11.952 1.00 0.00 O ATOM 490 CB ASP A 32 -1.012 -4.152 13.725 1.00 0.00 C ATOM 491 CG ASP A 32 -1.669 -3.558 14.955 1.00 0.00 C ATOM 492 OD1 ASP A 32 -2.664 -4.140 15.443 1.00 0.00 O ATOM 493 OD2 ASP A 32 -1.191 -2.525 15.456 1.00 0.00 O ATOM 0 H ASP A 32 -0.530 -5.137 11.333 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.884 -4.908 13.084 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.510 -5.081 13.994 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.245 -3.470 13.357 1.00 0.00 H new ATOM 498 N LEU A 33 -3.684 -3.210 11.401 1.00 0.00 N ATOM 499 CA LEU A 33 -4.325 -2.116 10.693 1.00 0.00 C ATOM 500 C LEU A 33 -4.755 -0.973 11.597 1.00 0.00 C ATOM 501 O LEU A 33 -4.595 -1.041 12.819 1.00 0.00 O ATOM 502 CB LEU A 33 -5.414 -2.610 9.748 1.00 0.00 C ATOM 503 CG LEU A 33 -4.945 -2.704 8.291 1.00 0.00 C ATOM 504 CD1 LEU A 33 -6.060 -3.215 7.397 1.00 0.00 C ATOM 505 CD2 LEU A 33 -4.445 -1.343 7.805 1.00 0.00 C ATOM 0 H LEU A 33 -4.246 -4.061 11.420 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.561 -1.669 10.057 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.756 -3.591 10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.270 -1.938 9.806 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.120 -3.415 8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.704 -3.273 6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.369 -4.206 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.909 -2.534 7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.115 -1.425 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.252 -0.614 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.610 -1.019 8.427 1.00 0.00 H new ATOM 517 N PRO A 34 -5.365 0.080 11.009 1.00 0.00 N ATOM 518 CA PRO A 34 -4.999 1.441 11.213 1.00 0.00 C ATOM 519 C PRO A 34 -3.620 1.624 11.814 1.00 0.00 C ATOM 520 O PRO A 34 -2.675 1.730 11.058 1.00 0.00 O ATOM 521 CB PRO A 34 -6.184 1.891 12.045 1.00 0.00 C ATOM 522 CG PRO A 34 -7.335 1.195 11.335 1.00 0.00 C ATOM 523 CD PRO A 34 -6.701 0.114 10.448 1.00 0.00 C ATOM 0 HA PRO A 34 -4.855 2.043 10.316 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.096 1.580 13.086 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.297 2.975 12.045 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.025 0.753 12.054 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.908 1.903 10.736 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.212 -0.845 10.530 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.703 0.387 9.393 1.00 0.00 H new ATOM 531 N THR A 35 -3.502 1.543 13.122 1.00 0.00 N ATOM 532 CA THR A 35 -2.275 1.928 13.851 1.00 0.00 C ATOM 533 C THR A 35 -1.403 2.963 13.092 1.00 0.00 C ATOM 534 O THR A 35 -1.554 4.170 13.290 1.00 0.00 O ATOM 535 CB THR A 35 -1.442 0.688 14.214 1.00 0.00 C ATOM 536 OG1 THR A 35 -2.301 -0.296 14.801 1.00 0.00 O ATOM 537 CG2 THR A 35 -0.335 1.042 15.199 1.00 0.00 C ATOM 0 H THR A 35 -4.250 1.208 13.729 1.00 0.00 H new ATOM 0 HA THR A 35 -2.610 2.418 14.765 1.00 0.00 H new ATOM 0 HB THR A 35 -0.982 0.298 13.306 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.759 -0.977 15.252 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.239 0.147 15.439 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.324 1.787 14.753 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.775 1.446 16.111 1.00 0.00 H new ATOM 545 N GLY A 36 -0.512 2.483 12.216 1.00 0.00 N ATOM 546 CA GLY A 36 0.337 3.372 11.427 1.00 0.00 C ATOM 547 C GLY A 36 -0.005 3.361 9.941 1.00 0.00 C ATOM 548 O GLY A 36 0.883 3.332 9.089 1.00 0.00 O ATOM 0 H GLY A 36 -0.364 1.489 12.039 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.242 4.389 11.808 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.379 3.079 11.556 1.00 0.00 H new ATOM 552 N TRP A 37 -1.299 3.394 9.647 1.00 0.00 N ATOM 553 CA TRP A 37 -1.825 3.399 8.283 1.00 0.00 C ATOM 554 C TRP A 37 -1.241 4.528 7.438 1.00 0.00 C ATOM 555 O TRP A 37 -1.196 4.437 6.211 1.00 0.00 O ATOM 556 CB TRP A 37 -3.355 3.522 8.317 1.00 0.00 C ATOM 557 CG TRP A 37 -3.856 4.679 9.142 1.00 0.00 C ATOM 558 CD1 TRP A 37 -4.041 4.700 10.497 1.00 0.00 C ATOM 559 CD2 TRP A 37 -4.240 5.979 8.669 1.00 0.00 C ATOM 560 NE1 TRP A 37 -4.511 5.927 10.895 1.00 0.00 N ATOM 561 CE2 TRP A 37 -4.642 6.730 9.792 1.00 0.00 C ATOM 562 CE3 TRP A 37 -4.284 6.585 7.408 1.00 0.00 C ATOM 563 CZ2 TRP A 37 -5.075 8.051 9.691 1.00 0.00 C ATOM 564 CZ3 TRP A 37 -4.716 7.896 7.311 1.00 0.00 C ATOM 565 CH2 TRP A 37 -5.108 8.614 8.445 1.00 0.00 C ATOM 0 H TRP A 37 -2.027 3.419 10.361 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.532 2.457 7.820 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.724 3.629 7.297 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.775 2.597 8.713 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.845 3.870 11.159 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.727 6.197 11.855 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.986 6.038 6.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.374 8.610 10.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.751 8.373 6.343 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.444 9.635 8.335 1.00 0.00 H new ATOM 576 N ASN A 38 -0.795 5.588 8.098 1.00 0.00 N ATOM 577 CA ASN A 38 -0.240 6.744 7.403 1.00 0.00 C ATOM 578 C ASN A 38 1.021 6.354 6.634 1.00 0.00 C ATOM 579 O ASN A 38 1.362 6.965 5.622 1.00 0.00 O ATOM 580 CB ASN A 38 0.076 7.863 8.403 1.00 0.00 C ATOM 581 CG ASN A 38 0.131 9.239 7.757 1.00 0.00 C ATOM 582 OD1 ASN A 38 0.400 9.379 6.565 1.00 0.00 O ATOM 583 ND2 ASN A 38 -0.119 10.267 8.548 1.00 0.00 N ATOM 0 H ASN A 38 -0.806 5.672 9.114 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.981 7.106 6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.681 7.866 9.188 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.032 7.655 8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.093 11.216 8.175 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.339 10.112 9.532 1.00 0.00 H new ATOM 590 N ARG A 39 1.685 5.301 7.094 1.00 0.00 N ATOM 591 CA ARG A 39 2.959 4.902 6.512 1.00 0.00 C ATOM 592 C ARG A 39 2.768 3.838 5.425 1.00 0.00 C ATOM 593 O ARG A 39 3.730 3.438 4.766 1.00 0.00 O ATOM 594 CB ARG A 39 3.899 4.384 7.602 1.00 0.00 C ATOM 595 CG ARG A 39 5.345 4.296 7.153 1.00 0.00 C ATOM 596 CD ARG A 39 6.240 3.733 8.240 1.00 0.00 C ATOM 597 NE ARG A 39 7.641 3.716 7.826 1.00 0.00 N ATOM 598 CZ ARG A 39 8.335 2.606 7.591 1.00 0.00 C ATOM 599 NH1 ARG A 39 7.772 1.416 7.782 1.00 0.00 N ATOM 600 NH2 ARG A 39 9.594 2.686 7.184 1.00 0.00 N ATOM 0 H ARG A 39 1.365 4.712 7.863 1.00 0.00 H new ATOM 0 HA ARG A 39 3.405 5.780 6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.834 5.040 8.470 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.564 3.397 7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.412 3.667 6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.698 5.287 6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.134 4.331 9.145 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.921 2.721 8.487 1.00 0.00 H new ATOM 0 HE ARG A 39 8.116 4.611 7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.808 1.355 8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.305 0.565 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.030 3.598 7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.127 1.835 7.004 1.00 0.00 H new ATOM 614 N ILE A 40 1.522 3.400 5.226 1.00 0.00 N ATOM 615 CA ILE A 40 1.217 2.345 4.252 1.00 0.00 C ATOM 616 C ILE A 40 1.726 2.706 2.856 1.00 0.00 C ATOM 617 O ILE A 40 2.320 1.870 2.173 1.00 0.00 O ATOM 618 CB ILE A 40 -0.304 2.049 4.190 1.00 0.00 C ATOM 619 CG1 ILE A 40 -0.772 1.389 5.493 1.00 0.00 C ATOM 620 CG2 ILE A 40 -0.653 1.170 2.990 1.00 0.00 C ATOM 621 CD1 ILE A 40 -2.256 1.097 5.519 1.00 0.00 C ATOM 0 H ILE A 40 0.708 3.758 5.725 1.00 0.00 H new ATOM 0 HA ILE A 40 1.734 1.448 4.592 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.825 2.999 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.223 0.458 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.522 2.040 6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.727 0.982 2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.362 1.678 2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.120 0.222 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.519 0.631 6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.812 2.028 5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.508 0.422 4.701 1.00 0.00 H new ATOM 633 N MET A 41 1.521 3.955 2.453 1.00 0.00 N ATOM 634 CA MET A 41 1.919 4.410 1.119 1.00 0.00 C ATOM 635 C MET A 41 3.408 4.203 0.872 1.00 0.00 C ATOM 636 O MET A 41 3.800 3.720 -0.187 1.00 0.00 O ATOM 637 CB MET A 41 1.569 5.888 0.931 1.00 0.00 C ATOM 638 CG MET A 41 0.102 6.152 0.625 1.00 0.00 C ATOM 639 SD MET A 41 -0.271 6.149 -1.144 1.00 0.00 S ATOM 640 CE MET A 41 0.019 4.438 -1.586 1.00 0.00 C ATOM 0 H MET A 41 1.082 4.673 3.029 1.00 0.00 H new ATOM 0 HA MET A 41 1.368 3.810 0.395 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.843 6.432 1.835 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.175 6.292 0.120 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.507 5.395 1.119 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.183 7.116 1.048 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.435 4.230 -2.555 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.092 4.253 -1.641 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.423 3.787 -0.831 1.00 0.00 H new ATOM 650 N GLU A 42 4.227 4.555 1.854 1.00 0.00 N ATOM 651 CA GLU A 42 5.671 4.441 1.713 1.00 0.00 C ATOM 652 C GLU A 42 6.084 2.993 1.546 1.00 0.00 C ATOM 653 O GLU A 42 6.706 2.619 0.551 1.00 0.00 O ATOM 654 CB GLU A 42 6.384 5.021 2.932 1.00 0.00 C ATOM 655 CG GLU A 42 7.895 4.877 2.855 1.00 0.00 C ATOM 656 CD GLU A 42 8.618 5.613 3.959 1.00 0.00 C ATOM 657 OE1 GLU A 42 8.837 6.831 3.810 1.00 0.00 O ATOM 658 OE2 GLU A 42 8.997 4.977 4.962 1.00 0.00 O ATOM 0 H GLU A 42 3.917 4.921 2.754 1.00 0.00 H new ATOM 0 HA GLU A 42 5.957 5.004 0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.129 6.076 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.021 4.522 3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.156 3.820 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.241 5.250 1.891 1.00 0.00 H new ATOM 665 N VAL A 43 5.733 2.192 2.534 1.00 0.00 N ATOM 666 CA VAL A 43 6.131 0.796 2.566 1.00 0.00 C ATOM 667 C VAL A 43 5.668 0.063 1.310 1.00 0.00 C ATOM 668 O VAL A 43 6.439 -0.678 0.704 1.00 0.00 O ATOM 669 CB VAL A 43 5.588 0.072 3.814 1.00 0.00 C ATOM 670 CG1 VAL A 43 6.267 -1.274 3.978 1.00 0.00 C ATOM 671 CG2 VAL A 43 5.776 0.920 5.061 1.00 0.00 C ATOM 0 H VAL A 43 5.169 2.486 3.331 1.00 0.00 H new ATOM 0 HA VAL A 43 7.220 0.783 2.608 1.00 0.00 H new ATOM 0 HB VAL A 43 4.519 -0.090 3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.874 -1.774 4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.074 -1.888 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.341 -1.128 4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.384 0.386 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.837 1.121 5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.241 1.863 4.944 1.00 0.00 H new ATOM 681 N ALA A 44 4.423 0.298 0.901 1.00 0.00 N ATOM 682 CA ALA A 44 3.872 -0.363 -0.280 1.00 0.00 C ATOM 683 C ALA A 44 4.619 0.056 -1.541 1.00 0.00 C ATOM 684 O ALA A 44 4.990 -0.785 -2.362 1.00 0.00 O ATOM 685 CB ALA A 44 2.391 -0.055 -0.418 1.00 0.00 C ATOM 0 H ALA A 44 3.780 0.938 1.367 1.00 0.00 H new ATOM 0 HA ALA A 44 3.997 -1.438 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.996 -0.555 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.862 -0.410 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.251 1.021 -0.517 1.00 0.00 H new ATOM 691 N GLU A 45 4.845 1.357 -1.675 1.00 0.00 N ATOM 692 CA GLU A 45 5.545 1.911 -2.827 1.00 0.00 C ATOM 693 C GLU A 45 6.944 1.326 -2.949 1.00 0.00 C ATOM 694 O GLU A 45 7.351 0.863 -4.018 1.00 0.00 O ATOM 695 CB GLU A 45 5.624 3.433 -2.692 1.00 0.00 C ATOM 696 CG GLU A 45 6.276 4.131 -3.872 1.00 0.00 C ATOM 697 CD GLU A 45 6.389 5.624 -3.659 1.00 0.00 C ATOM 698 OE1 GLU A 45 7.351 6.067 -2.994 1.00 0.00 O ATOM 699 OE2 GLU A 45 5.512 6.369 -4.144 1.00 0.00 O ATOM 0 H GLU A 45 4.550 2.055 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 45 4.991 1.651 -3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.616 3.828 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.180 3.678 -1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.269 3.713 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.695 3.937 -4.774 1.00 0.00 H new ATOM 706 N LYS A 46 7.672 1.338 -1.843 1.00 0.00 N ATOM 707 CA LYS A 46 9.040 0.845 -1.824 1.00 0.00 C ATOM 708 C LYS A 46 9.092 -0.665 -2.052 1.00 0.00 C ATOM 709 O LYS A 46 9.991 -1.156 -2.733 1.00 0.00 O ATOM 710 CB LYS A 46 9.735 1.219 -0.509 1.00 0.00 C ATOM 711 CG LYS A 46 10.359 2.612 -0.512 1.00 0.00 C ATOM 712 CD LYS A 46 9.328 3.719 -0.682 1.00 0.00 C ATOM 713 CE LYS A 46 9.990 5.086 -0.762 1.00 0.00 C ATOM 714 NZ LYS A 46 8.992 6.188 -0.876 1.00 0.00 N ATOM 0 H LYS A 46 7.337 1.685 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 46 9.575 1.323 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.011 1.158 0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.512 0.484 -0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.899 2.765 0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.090 2.676 -1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.747 3.541 -1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.630 3.700 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.603 5.244 0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.660 5.114 -1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.458 7.099 -0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.589 6.194 -1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.231 6.041 -0.182 1.00 0.00 H new ATOM 728 N THR A 47 8.127 -1.396 -1.497 1.00 0.00 N ATOM 729 CA THR A 47 8.055 -2.840 -1.695 1.00 0.00 C ATOM 730 C THR A 47 7.820 -3.173 -3.169 1.00 0.00 C ATOM 731 O THR A 47 8.505 -4.028 -3.740 1.00 0.00 O ATOM 732 CB THR A 47 6.939 -3.478 -0.837 1.00 0.00 C ATOM 733 OG1 THR A 47 7.154 -3.176 0.547 1.00 0.00 O ATOM 734 CG2 THR A 47 6.902 -4.990 -1.021 1.00 0.00 C ATOM 0 H THR A 47 7.387 -1.013 -0.909 1.00 0.00 H new ATOM 0 HA THR A 47 9.012 -3.256 -1.379 1.00 0.00 H new ATOM 0 HB THR A 47 5.985 -3.063 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.673 -2.355 0.781 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.108 -5.412 -0.406 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.713 -5.225 -2.069 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.859 -5.417 -0.721 1.00 0.00 H new ATOM 742 N TYR A 48 6.865 -2.477 -3.785 1.00 0.00 N ATOM 743 CA TYR A 48 6.554 -2.680 -5.194 1.00 0.00 C ATOM 744 C TYR A 48 7.784 -2.409 -6.056 1.00 0.00 C ATOM 745 O TYR A 48 8.202 -3.261 -6.838 1.00 0.00 O ATOM 746 CB TYR A 48 5.395 -1.770 -5.620 1.00 0.00 C ATOM 747 CG TYR A 48 5.012 -1.915 -7.078 1.00 0.00 C ATOM 748 CD1 TYR A 48 4.256 -2.996 -7.511 1.00 0.00 C ATOM 749 CD2 TYR A 48 5.414 -0.974 -8.018 1.00 0.00 C ATOM 750 CE1 TYR A 48 3.914 -3.138 -8.841 1.00 0.00 C ATOM 751 CE2 TYR A 48 5.071 -1.108 -9.350 1.00 0.00 C ATOM 752 CZ TYR A 48 4.324 -2.191 -9.754 1.00 0.00 C ATOM 753 OH TYR A 48 3.992 -2.331 -11.079 1.00 0.00 O ATOM 0 H TYR A 48 6.294 -1.767 -3.327 1.00 0.00 H new ATOM 0 HA TYR A 48 6.253 -3.718 -5.336 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.525 -1.990 -5.001 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.669 -0.733 -5.427 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.930 -3.737 -6.796 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.003 -0.125 -7.703 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.329 -3.986 -9.164 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.387 -0.367 -10.070 1.00 0.00 H new ATOM 0 HH TYR A 48 3.271 -2.989 -11.168 1.00 0.00 H new ATOM 763 N GLU A 49 8.367 -1.226 -5.884 1.00 0.00 N ATOM 764 CA GLU A 49 9.547 -0.819 -6.640 1.00 0.00 C ATOM 765 C GLU A 49 10.709 -1.784 -6.433 1.00 0.00 C ATOM 766 O GLU A 49 11.466 -2.055 -7.360 1.00 0.00 O ATOM 767 CB GLU A 49 9.967 0.586 -6.214 1.00 0.00 C ATOM 768 CG GLU A 49 9.274 1.697 -6.977 1.00 0.00 C ATOM 769 CD GLU A 49 9.830 1.858 -8.376 1.00 0.00 C ATOM 770 OE1 GLU A 49 11.041 2.153 -8.505 1.00 0.00 O ATOM 771 OE2 GLU A 49 9.071 1.709 -9.348 1.00 0.00 O ATOM 0 H GLU A 49 8.037 -0.526 -5.220 1.00 0.00 H new ATOM 0 HA GLU A 49 9.288 -0.828 -7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.762 0.708 -5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.044 0.687 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.206 1.486 -7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.386 2.635 -6.433 1.00 0.00 H new ATOM 778 N ALA A 50 10.847 -2.298 -5.220 1.00 0.00 N ATOM 779 CA ALA A 50 11.921 -3.233 -4.915 1.00 0.00 C ATOM 780 C ALA A 50 11.758 -4.529 -5.699 1.00 0.00 C ATOM 781 O ALA A 50 12.691 -4.989 -6.355 1.00 0.00 O ATOM 782 CB ALA A 50 11.975 -3.529 -3.424 1.00 0.00 C ATOM 0 H ALA A 50 10.233 -2.085 -4.434 1.00 0.00 H new ATOM 0 HA ALA A 50 12.860 -2.765 -5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.785 -4.230 -3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.150 -2.603 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.029 -3.966 -3.105 1.00 0.00 H new ATOM 788 N TYR A 51 10.571 -5.113 -5.635 1.00 0.00 N ATOM 789 CA TYR A 51 10.312 -6.369 -6.324 1.00 0.00 C ATOM 790 C TYR A 51 10.215 -6.183 -7.833 1.00 0.00 C ATOM 791 O TYR A 51 10.610 -7.070 -8.589 1.00 0.00 O ATOM 792 CB TYR A 51 9.048 -7.046 -5.790 1.00 0.00 C ATOM 793 CG TYR A 51 9.346 -8.151 -4.803 1.00 0.00 C ATOM 794 CD1 TYR A 51 9.918 -9.344 -5.230 1.00 0.00 C ATOM 795 CD2 TYR A 51 9.069 -8.004 -3.450 1.00 0.00 C ATOM 796 CE1 TYR A 51 10.206 -10.357 -4.338 1.00 0.00 C ATOM 797 CE2 TYR A 51 9.357 -9.014 -2.552 1.00 0.00 C ATOM 798 CZ TYR A 51 9.922 -10.190 -3.002 1.00 0.00 C ATOM 799 OH TYR A 51 10.218 -11.194 -2.110 1.00 0.00 O ATOM 0 H TYR A 51 9.776 -4.740 -5.116 1.00 0.00 H new ATOM 0 HA TYR A 51 11.164 -7.018 -6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.416 -6.298 -5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.480 -7.455 -6.626 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.141 -9.480 -6.278 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.622 -7.087 -3.095 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.652 -11.277 -4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.141 -8.884 -1.502 1.00 0.00 H new ATOM 0 HH TYR A 51 10.996 -11.697 -2.430 1.00 0.00 H new ATOM 809 N ARG A 52 9.699 -5.044 -8.279 1.00 0.00 N ATOM 810 CA ARG A 52 9.599 -4.788 -9.710 1.00 0.00 C ATOM 811 C ARG A 52 10.993 -4.657 -10.318 1.00 0.00 C ATOM 812 O ARG A 52 11.265 -5.209 -11.379 1.00 0.00 O ATOM 813 CB ARG A 52 8.743 -3.547 -10.016 1.00 0.00 C ATOM 814 CG ARG A 52 9.373 -2.219 -9.650 1.00 0.00 C ATOM 815 CD ARG A 52 8.783 -1.094 -10.479 1.00 0.00 C ATOM 816 NE ARG A 52 9.088 -1.256 -11.899 1.00 0.00 N ATOM 817 CZ ARG A 52 8.309 -0.827 -12.886 1.00 0.00 C ATOM 818 NH1 ARG A 52 7.163 -0.210 -12.619 1.00 0.00 N ATOM 819 NH2 ARG A 52 8.686 -1.020 -14.140 1.00 0.00 N ATOM 0 H ARG A 52 9.349 -4.295 -7.682 1.00 0.00 H new ATOM 0 HA ARG A 52 9.094 -5.639 -10.167 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.512 -3.539 -11.081 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.796 -3.640 -9.485 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.216 -2.017 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.450 -2.267 -9.809 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.702 -1.066 -10.339 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.175 -0.139 -10.129 1.00 0.00 H new ATOM 0 HE ARG A 52 9.956 -1.730 -12.149 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.876 -0.063 -11.651 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.570 0.117 -13.382 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.567 -1.494 -14.341 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.096 -0.695 -14.906 1.00 0.00 H new ATOM 833 N GLN A 53 11.883 -3.962 -9.618 1.00 0.00 N ATOM 834 CA GLN A 53 13.253 -3.793 -10.078 1.00 0.00 C ATOM 835 C GLN A 53 13.976 -5.129 -10.000 1.00 0.00 C ATOM 836 O GLN A 53 14.730 -5.485 -10.897 1.00 0.00 O ATOM 837 CB GLN A 53 13.970 -2.755 -9.213 1.00 0.00 C ATOM 838 CG GLN A 53 14.934 -1.846 -9.968 1.00 0.00 C ATOM 839 CD GLN A 53 15.954 -2.594 -10.803 1.00 0.00 C ATOM 840 OE1 GLN A 53 17.027 -2.951 -10.322 1.00 0.00 O ATOM 841 NE2 GLN A 53 15.632 -2.811 -12.069 1.00 0.00 N ATOM 0 H GLN A 53 11.678 -3.507 -8.729 1.00 0.00 H new ATOM 0 HA GLN A 53 13.250 -3.443 -11.110 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.221 -2.136 -8.719 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.522 -3.275 -8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.361 -1.185 -10.618 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.458 -1.213 -9.252 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.730 -2.497 -12.427 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.286 -3.292 -12.686 1.00 0.00 H new ATOM 850 N LEU A 54 13.723 -5.874 -8.928 1.00 0.00 N ATOM 851 CA LEU A 54 14.330 -7.189 -8.748 1.00 0.00 C ATOM 852 C LEU A 54 13.953 -8.112 -9.909 1.00 0.00 C ATOM 853 O LEU A 54 14.807 -8.798 -10.470 1.00 0.00 O ATOM 854 CB LEU A 54 13.888 -7.805 -7.413 1.00 0.00 C ATOM 855 CG LEU A 54 14.973 -8.568 -6.638 1.00 0.00 C ATOM 856 CD1 LEU A 54 14.426 -9.046 -5.302 1.00 0.00 C ATOM 857 CD2 LEU A 54 15.503 -9.747 -7.443 1.00 0.00 C ATOM 0 H LEU A 54 13.102 -5.590 -8.171 1.00 0.00 H new ATOM 0 HA LEU A 54 15.414 -7.071 -8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.505 -7.008 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.059 -8.486 -7.605 1.00 0.00 H new ATOM 0 HG LEU A 54 15.803 -7.884 -6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.204 -9.585 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.104 -8.188 -4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.577 -9.708 -5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.269 -10.266 -6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.686 -10.434 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.934 -9.386 -8.377 1.00 0.00 H new ATOM 869 N ASP A 55 12.673 -8.112 -10.276 1.00 0.00 N ATOM 870 CA ASP A 55 12.194 -8.931 -11.389 1.00 0.00 C ATOM 871 C ASP A 55 12.773 -8.435 -12.711 1.00 0.00 C ATOM 872 O ASP A 55 13.212 -9.231 -13.546 1.00 0.00 O ATOM 873 CB ASP A 55 10.661 -8.923 -11.448 1.00 0.00 C ATOM 874 CG ASP A 55 10.118 -9.760 -12.592 1.00 0.00 C ATOM 875 OD1 ASP A 55 10.022 -10.998 -12.441 1.00 0.00 O ATOM 876 OD2 ASP A 55 9.777 -9.188 -13.647 1.00 0.00 O ATOM 0 H ASP A 55 11.950 -7.555 -9.820 1.00 0.00 H new ATOM 0 HA ASP A 55 12.530 -9.955 -11.224 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.263 -9.299 -10.506 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.310 -7.897 -11.555 1.00 0.00 H new ATOM 881 N GLU A 56 12.784 -7.117 -12.885 1.00 0.00 N ATOM 882 CA GLU A 56 13.352 -6.496 -14.076 1.00 0.00 C ATOM 883 C GLU A 56 14.840 -6.805 -14.199 1.00 0.00 C ATOM 884 O GLU A 56 15.330 -7.143 -15.280 1.00 0.00 O ATOM 885 CB GLU A 56 13.115 -4.983 -14.040 1.00 0.00 C ATOM 886 CG GLU A 56 11.690 -4.585 -14.394 1.00 0.00 C ATOM 887 CD GLU A 56 11.508 -3.084 -14.479 1.00 0.00 C ATOM 888 OE1 GLU A 56 11.781 -2.513 -15.557 1.00 0.00 O ATOM 889 OE2 GLU A 56 11.085 -2.468 -13.478 1.00 0.00 O ATOM 0 H GLU A 56 12.403 -6.454 -12.210 1.00 0.00 H new ATOM 0 HA GLU A 56 12.854 -6.910 -14.952 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.352 -4.609 -13.044 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.802 -4.499 -14.734 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.418 -5.035 -15.349 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.008 -4.988 -13.646 1.00 0.00 H new ATOM 896 N PHE A 57 15.551 -6.696 -13.087 1.00 0.00 N ATOM 897 CA PHE A 57 16.964 -7.041 -13.033 1.00 0.00 C ATOM 898 C PHE A 57 17.165 -8.510 -13.388 1.00 0.00 C ATOM 899 O PHE A 57 18.060 -8.855 -14.159 1.00 0.00 O ATOM 900 CB PHE A 57 17.522 -6.747 -11.635 1.00 0.00 C ATOM 901 CG PHE A 57 18.944 -7.190 -11.430 1.00 0.00 C ATOM 902 CD1 PHE A 57 20.001 -6.416 -11.882 1.00 0.00 C ATOM 903 CD2 PHE A 57 19.224 -8.382 -10.782 1.00 0.00 C ATOM 904 CE1 PHE A 57 21.307 -6.824 -11.691 1.00 0.00 C ATOM 905 CE2 PHE A 57 20.528 -8.795 -10.588 1.00 0.00 C ATOM 906 CZ PHE A 57 21.570 -8.014 -11.044 1.00 0.00 C ATOM 0 H PHE A 57 15.168 -6.368 -12.201 1.00 0.00 H new ATOM 0 HA PHE A 57 17.503 -6.434 -13.761 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.458 -5.675 -11.449 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.891 -7.238 -10.894 1.00 0.00 H new ATOM 0 HD1 PHE A 57 19.802 -5.484 -12.389 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.412 -8.997 -10.424 1.00 0.00 H new ATOM 0 HE1 PHE A 57 22.122 -6.212 -12.048 1.00 0.00 H new ATOM 0 HE2 PHE A 57 20.731 -9.727 -10.081 1.00 0.00 H new ATOM 0 HZ PHE A 57 22.591 -8.334 -10.895 1.00 0.00 H new ATOM 916 N ARG A 58 16.312 -9.363 -12.836 1.00 0.00 N ATOM 917 CA ARG A 58 16.371 -10.788 -13.097 1.00 0.00 C ATOM 918 C ARG A 58 16.189 -11.074 -14.580 1.00 0.00 C ATOM 919 O ARG A 58 16.968 -11.818 -15.171 1.00 0.00 O ATOM 920 CB ARG A 58 15.297 -11.512 -12.292 1.00 0.00 C ATOM 921 CG ARG A 58 15.722 -11.890 -10.882 1.00 0.00 C ATOM 922 CD ARG A 58 14.559 -12.490 -10.113 1.00 0.00 C ATOM 923 NE ARG A 58 14.992 -13.283 -8.965 1.00 0.00 N ATOM 924 CZ ARG A 58 14.354 -14.383 -8.560 1.00 0.00 C ATOM 925 NH1 ARG A 58 13.270 -14.788 -9.212 1.00 0.00 N ATOM 926 NH2 ARG A 58 14.798 -15.079 -7.516 1.00 0.00 N ATOM 0 H ARG A 58 15.565 -9.085 -12.199 1.00 0.00 H new ATOM 0 HA ARG A 58 17.353 -11.151 -12.794 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.413 -10.878 -12.235 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.006 -12.416 -12.826 1.00 0.00 H new ATOM 0 HG2 ARG A 58 16.544 -12.605 -10.924 1.00 0.00 H new ATOM 0 HG3 ARG A 58 16.093 -11.008 -10.360 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.904 -11.689 -9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.971 -13.118 -10.783 1.00 0.00 H new ATOM 0 HE ARG A 58 15.819 -12.982 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.931 -14.259 -10.016 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.777 -15.628 -8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.633 -14.773 -7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.303 -15.918 -7.215 1.00 0.00 H new ATOM 940 N LYS A 59 15.174 -10.457 -15.178 1.00 0.00 N ATOM 941 CA LYS A 59 14.876 -10.668 -16.592 1.00 0.00 C ATOM 942 C LYS A 59 16.051 -10.247 -17.463 1.00 0.00 C ATOM 943 O LYS A 59 16.486 -10.995 -18.340 1.00 0.00 O ATOM 944 CB LYS A 59 13.630 -9.885 -17.016 1.00 0.00 C ATOM 945 CG LYS A 59 13.309 -10.030 -18.494 1.00 0.00 C ATOM 946 CD LYS A 59 12.226 -9.064 -18.937 1.00 0.00 C ATOM 947 CE LYS A 59 12.041 -9.117 -20.443 1.00 0.00 C ATOM 948 NZ LYS A 59 11.045 -8.127 -20.923 1.00 0.00 N ATOM 0 H LYS A 59 14.544 -9.808 -14.707 1.00 0.00 H new ATOM 0 HA LYS A 59 14.690 -11.733 -16.728 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.777 -10.226 -16.430 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.775 -8.830 -16.784 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.212 -9.856 -19.080 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.989 -11.052 -18.697 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.287 -9.311 -18.442 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.490 -8.051 -18.634 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.998 -8.932 -20.931 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.723 -10.119 -20.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.953 -8.201 -21.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.124 -8.318 -20.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.359 -7.168 -20.671 1.00 0.00 H new ATOM 962 N SER A 60 16.564 -9.053 -17.203 1.00 0.00 N ATOM 963 CA SER A 60 17.644 -8.489 -18.003 1.00 0.00 C ATOM 964 C SER A 60 18.919 -9.318 -17.872 1.00 0.00 C ATOM 965 O SER A 60 19.593 -9.601 -18.864 1.00 0.00 O ATOM 966 CB SER A 60 17.894 -7.041 -17.578 1.00 0.00 C ATOM 967 OG SER A 60 16.687 -6.288 -17.607 1.00 0.00 O ATOM 0 H SER A 60 16.249 -8.453 -16.441 1.00 0.00 H new ATOM 0 HA SER A 60 17.348 -8.508 -19.052 1.00 0.00 H new ATOM 0 HB2 SER A 60 18.316 -7.020 -16.573 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.628 -6.584 -18.242 1.00 0.00 H new ATOM 0 HG SER A 60 16.153 -6.495 -16.812 1.00 0.00 H new ATOM 973 N THR A 61 19.230 -9.723 -16.651 1.00 0.00 N ATOM 974 CA THR A 61 20.425 -10.509 -16.383 1.00 0.00 C ATOM 975 C THR A 61 20.311 -11.906 -16.989 1.00 0.00 C ATOM 976 O THR A 61 21.237 -12.387 -17.644 1.00 0.00 O ATOM 977 CB THR A 61 20.683 -10.622 -14.869 1.00 0.00 C ATOM 978 OG1 THR A 61 20.701 -9.315 -14.284 1.00 0.00 O ATOM 979 CG2 THR A 61 22.005 -11.323 -14.593 1.00 0.00 C ATOM 0 H THR A 61 18.668 -9.519 -15.825 1.00 0.00 H new ATOM 0 HA THR A 61 21.265 -9.992 -16.847 1.00 0.00 H new ATOM 0 HB THR A 61 19.881 -11.213 -14.427 1.00 0.00 H new ATOM 0 HG1 THR A 61 19.781 -9.001 -14.156 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.164 -11.390 -13.517 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.981 -12.326 -15.019 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.819 -10.756 -15.045 1.00 0.00 H new ATOM 987 N ALA A 62 19.160 -12.541 -16.796 1.00 0.00 N ATOM 988 CA ALA A 62 18.930 -13.886 -17.305 1.00 0.00 C ATOM 989 C ALA A 62 19.025 -13.923 -18.824 1.00 0.00 C ATOM 990 O ALA A 62 19.629 -14.828 -19.392 1.00 0.00 O ATOM 991 CB ALA A 62 17.574 -14.404 -16.844 1.00 0.00 C ATOM 0 H ALA A 62 18.370 -12.143 -16.289 1.00 0.00 H new ATOM 0 HA ALA A 62 19.708 -14.535 -16.904 1.00 0.00 H new ATOM 0 HB1 ALA A 62 17.418 -15.410 -17.233 1.00 0.00 H new ATOM 0 HB2 ALA A 62 17.545 -14.427 -15.755 1.00 0.00 H new ATOM 0 HB3 ALA A 62 16.788 -13.746 -17.214 1.00 0.00 H new ATOM 997 N SER A 63 18.452 -12.923 -19.474 1.00 0.00 N ATOM 998 CA SER A 63 18.456 -12.857 -20.928 1.00 0.00 C ATOM 999 C SER A 63 19.856 -12.557 -21.461 1.00 0.00 C ATOM 1000 O SER A 63 20.191 -12.913 -22.591 1.00 0.00 O ATOM 1001 CB SER A 63 17.466 -11.797 -21.406 1.00 0.00 C ATOM 1002 OG SER A 63 16.173 -12.037 -20.875 1.00 0.00 O ATOM 0 H SER A 63 17.977 -12.144 -19.018 1.00 0.00 H new ATOM 0 HA SER A 63 18.151 -13.829 -21.316 1.00 0.00 H new ATOM 0 HB2 SER A 63 17.811 -10.808 -21.102 1.00 0.00 H new ATOM 0 HB3 SER A 63 17.422 -11.799 -22.495 1.00 0.00 H new ATOM 0 HG SER A 63 16.138 -11.726 -19.946 1.00 0.00 H new ATOM 1008 N LEU A 64 20.676 -11.917 -20.636 1.00 0.00 N ATOM 1009 CA LEU A 64 22.026 -11.548 -21.037 1.00 0.00 C ATOM 1010 C LEU A 64 22.966 -12.742 -20.884 1.00 0.00 C ATOM 1011 O LEU A 64 23.754 -13.048 -21.778 1.00 0.00 O ATOM 1012 CB LEU A 64 22.517 -10.358 -20.193 1.00 0.00 C ATOM 1013 CG LEU A 64 23.595 -9.467 -20.833 1.00 0.00 C ATOM 1014 CD1 LEU A 64 24.932 -10.185 -20.933 1.00 0.00 C ATOM 1015 CD2 LEU A 64 23.141 -8.990 -22.205 1.00 0.00 C ATOM 0 H LEU A 64 20.429 -11.643 -19.685 1.00 0.00 H new ATOM 0 HA LEU A 64 22.018 -11.250 -22.086 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.657 -9.734 -19.950 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.907 -10.744 -19.251 1.00 0.00 H new ATOM 0 HG LEU A 64 23.736 -8.601 -20.186 1.00 0.00 H new ATOM 0 HD11 LEU A 64 25.667 -9.523 -21.390 1.00 0.00 H new ATOM 0 HD12 LEU A 64 25.269 -10.468 -19.936 1.00 0.00 H new ATOM 0 HD13 LEU A 64 24.820 -11.080 -21.545 1.00 0.00 H new ATOM 0 HD21 LEU A 64 23.914 -8.361 -22.646 1.00 0.00 H new ATOM 0 HD22 LEU A 64 22.963 -9.851 -22.849 1.00 0.00 H new ATOM 0 HD23 LEU A 64 22.220 -8.416 -22.104 1.00 0.00 H new ATOM 1027 N GLU A 65 22.860 -13.432 -19.756 1.00 0.00 N ATOM 1028 CA GLU A 65 23.730 -14.571 -19.468 1.00 0.00 C ATOM 1029 C GLU A 65 23.269 -15.802 -20.232 1.00 0.00 C ATOM 1030 O GLU A 65 23.958 -16.824 -20.271 1.00 0.00 O ATOM 1031 CB GLU A 65 23.729 -14.872 -17.969 1.00 0.00 C ATOM 1032 CG GLU A 65 24.863 -15.791 -17.527 1.00 0.00 C ATOM 1033 CD GLU A 65 24.786 -16.178 -16.062 1.00 0.00 C ATOM 1034 OE1 GLU A 65 25.282 -15.415 -15.212 1.00 0.00 O ATOM 1035 OE2 GLU A 65 24.241 -17.263 -15.753 1.00 0.00 O ATOM 0 H GLU A 65 22.181 -13.225 -19.024 1.00 0.00 H new ATOM 0 HA GLU A 65 24.741 -14.315 -19.784 1.00 0.00 H new ATOM 0 HB2 GLU A 65 23.799 -13.934 -17.419 1.00 0.00 H new ATOM 0 HB3 GLU A 65 22.777 -15.329 -17.700 1.00 0.00 H new ATOM 0 HG2 GLU A 65 24.847 -16.695 -18.136 1.00 0.00 H new ATOM 0 HG3 GLU A 65 25.816 -15.297 -17.715 1.00 0.00 H new ATOM 1042 N HIS A 66 22.091 -15.680 -20.829 1.00 0.00 N ATOM 1043 CA HIS A 66 21.440 -16.781 -21.540 1.00 0.00 C ATOM 1044 C HIS A 66 21.008 -17.836 -20.520 1.00 0.00 C ATOM 1045 O HIS A 66 20.923 -19.028 -20.810 1.00 0.00 O ATOM 1046 CB HIS A 66 22.376 -17.374 -22.608 1.00 0.00 C ATOM 1047 CG HIS A 66 21.722 -18.361 -23.527 1.00 0.00 C ATOM 1048 ND1 HIS A 66 22.179 -19.650 -23.698 1.00 0.00 N ATOM 1049 CD2 HIS A 66 20.647 -18.238 -24.338 1.00 0.00 C ATOM 1050 CE1 HIS A 66 21.411 -20.275 -24.570 1.00 0.00 C ATOM 1051 NE2 HIS A 66 20.474 -19.440 -24.975 1.00 0.00 N ATOM 0 H HIS A 66 21.555 -14.812 -20.836 1.00 0.00 H new ATOM 0 HA HIS A 66 20.559 -16.412 -22.065 1.00 0.00 H new ATOM 0 HB2 HIS A 66 22.789 -16.560 -23.204 1.00 0.00 H new ATOM 0 HB3 HIS A 66 23.214 -17.861 -22.109 1.00 0.00 H new ATOM 0 HD2 HIS A 66 20.037 -17.355 -24.461 1.00 0.00 H new ATOM 0 HE1 HIS A 66 21.530 -21.297 -24.897 1.00 0.00 H new ATOM 0 HE2 HIS A 66 19.741 -19.653 -25.651 1.00 0.00 H new ATOM 1060 N HIS A 67 20.707 -17.351 -19.325 1.00 0.00 N ATOM 1061 CA HIS A 67 20.331 -18.191 -18.199 1.00 0.00 C ATOM 1062 C HIS A 67 18.821 -18.116 -17.996 1.00 0.00 C ATOM 1063 O HIS A 67 18.339 -17.455 -17.078 1.00 0.00 O ATOM 1064 CB HIS A 67 21.067 -17.706 -16.942 1.00 0.00 C ATOM 1065 CG HIS A 67 21.096 -18.677 -15.800 1.00 0.00 C ATOM 1066 ND1 HIS A 67 22.201 -18.836 -14.994 1.00 0.00 N ATOM 1067 CD2 HIS A 67 20.155 -19.522 -15.310 1.00 0.00 C ATOM 1068 CE1 HIS A 67 21.943 -19.732 -14.061 1.00 0.00 C ATOM 1069 NE2 HIS A 67 20.707 -20.164 -14.229 1.00 0.00 N ATOM 0 H HIS A 67 20.717 -16.354 -19.108 1.00 0.00 H new ATOM 0 HA HIS A 67 20.608 -19.227 -18.394 1.00 0.00 H new ATOM 0 HB2 HIS A 67 22.093 -17.461 -17.214 1.00 0.00 H new ATOM 0 HB3 HIS A 67 20.598 -16.783 -16.600 1.00 0.00 H new ATOM 0 HD1 HIS A 67 23.084 -18.337 -15.102 1.00 0.00 H new ATOM 0 HD2 HIS A 67 19.157 -19.664 -15.698 1.00 0.00 H new ATOM 0 HE1 HIS A 67 22.627 -20.057 -13.291 1.00 0.00 H new ATOM 1078 N HIS A 68 18.074 -18.778 -18.865 1.00 0.00 N ATOM 1079 CA HIS A 68 16.626 -18.660 -18.859 1.00 0.00 C ATOM 1080 C HIS A 68 15.981 -20.019 -18.608 1.00 0.00 C ATOM 1081 O HIS A 68 16.495 -21.047 -19.045 1.00 0.00 O ATOM 1082 CB HIS A 68 16.153 -18.083 -20.197 1.00 0.00 C ATOM 1083 CG HIS A 68 14.744 -17.571 -20.190 1.00 0.00 C ATOM 1084 ND1 HIS A 68 13.690 -18.244 -20.766 1.00 0.00 N ATOM 1085 CD2 HIS A 68 14.223 -16.424 -19.692 1.00 0.00 C ATOM 1086 CE1 HIS A 68 12.585 -17.535 -20.624 1.00 0.00 C ATOM 1087 NE2 HIS A 68 12.881 -16.425 -19.976 1.00 0.00 N ATOM 0 H HIS A 68 18.446 -19.401 -19.582 1.00 0.00 H new ATOM 0 HA HIS A 68 16.327 -17.988 -18.055 1.00 0.00 H new ATOM 0 HB2 HIS A 68 16.820 -17.270 -20.484 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.242 -18.854 -20.963 1.00 0.00 H new ATOM 0 HD2 HIS A 68 14.765 -15.651 -19.168 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.604 -17.817 -20.979 1.00 0.00 H new ATOM 0 HE2 HIS A 68 12.221 -15.689 -19.727 1.00 0.00 H new ATOM 1096 N HIS A 69 14.861 -20.017 -17.897 1.00 0.00 N ATOM 1097 CA HIS A 69 14.145 -21.251 -17.598 1.00 0.00 C ATOM 1098 C HIS A 69 12.985 -21.419 -18.563 1.00 0.00 C ATOM 1099 O HIS A 69 12.303 -20.448 -18.891 1.00 0.00 O ATOM 1100 CB HIS A 69 13.606 -21.242 -16.162 1.00 0.00 C ATOM 1101 CG HIS A 69 14.658 -21.098 -15.106 1.00 0.00 C ATOM 1102 ND1 HIS A 69 15.387 -22.158 -14.618 1.00 0.00 N ATOM 1103 CD2 HIS A 69 15.092 -20.007 -14.434 1.00 0.00 C ATOM 1104 CE1 HIS A 69 16.221 -21.728 -13.690 1.00 0.00 C ATOM 1105 NE2 HIS A 69 16.063 -20.423 -13.558 1.00 0.00 N ATOM 0 H HIS A 69 14.429 -19.175 -17.517 1.00 0.00 H new ATOM 0 HA HIS A 69 14.843 -22.081 -17.705 1.00 0.00 H new ATOM 0 HB2 HIS A 69 12.892 -20.424 -16.060 1.00 0.00 H new ATOM 0 HB3 HIS A 69 13.058 -22.168 -15.987 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.739 -18.995 -14.563 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.915 -22.339 -13.133 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.577 -19.824 -12.912 1.00 0.00 H new ATOM 1114 N HIS A 70 12.767 -22.640 -19.026 1.00 0.00 N ATOM 1115 CA HIS A 70 11.642 -22.922 -19.900 1.00 0.00 C ATOM 1116 C HIS A 70 10.970 -24.227 -19.492 1.00 0.00 C ATOM 1117 O HIS A 70 11.210 -25.279 -20.090 1.00 0.00 O ATOM 1118 CB HIS A 70 12.090 -23.003 -21.362 1.00 0.00 C ATOM 1119 CG HIS A 70 10.998 -22.699 -22.339 1.00 0.00 C ATOM 1120 ND1 HIS A 70 10.006 -23.592 -22.673 1.00 0.00 N ATOM 1121 CD2 HIS A 70 10.748 -21.577 -23.050 1.00 0.00 C ATOM 1122 CE1 HIS A 70 9.194 -23.032 -23.548 1.00 0.00 C ATOM 1123 NE2 HIS A 70 9.622 -21.808 -23.795 1.00 0.00 N ATOM 0 H HIS A 70 13.352 -23.448 -18.812 1.00 0.00 H new ATOM 0 HA HIS A 70 10.927 -22.105 -19.803 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.913 -22.306 -21.521 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.476 -24.003 -21.560 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.329 -20.667 -23.034 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.324 -23.497 -23.989 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.186 -21.144 -24.435 1.00 0.00 H new ATOM 1132 N HIS A 71 10.153 -24.164 -18.453 1.00 0.00 N ATOM 1133 CA HIS A 71 9.449 -25.337 -17.960 1.00 0.00 C ATOM 1134 C HIS A 71 8.205 -24.897 -17.203 1.00 0.00 C ATOM 1135 O HIS A 71 7.164 -24.674 -17.856 1.00 0.00 O ATOM 1136 CB HIS A 71 10.361 -26.175 -17.052 1.00 0.00 C ATOM 1137 CG HIS A 71 9.806 -27.530 -16.720 1.00 0.00 C ATOM 1138 ND1 HIS A 71 8.972 -27.765 -15.647 1.00 0.00 N ATOM 1139 CD2 HIS A 71 9.977 -28.729 -17.328 1.00 0.00 C ATOM 1140 CE1 HIS A 71 8.659 -29.046 -15.608 1.00 0.00 C ATOM 1141 NE2 HIS A 71 9.254 -29.653 -16.617 1.00 0.00 N ATOM 1142 OXT HIS A 71 8.276 -24.753 -15.963 1.00 0.00 O ATOM 0 H HIS A 71 9.960 -23.308 -17.932 1.00 0.00 H new ATOM 0 HA HIS A 71 9.155 -25.958 -18.806 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.328 -26.298 -17.539 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.538 -25.628 -16.126 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.572 -28.921 -18.209 1.00 0.00 H new ATOM 0 HE1 HIS A 71 8.023 -29.518 -14.874 1.00 0.00 H new ATOM 0 HE2 HIS A 71 9.187 -30.648 -16.833 1.00 0.00 H new TER 1151 HIS A 71 ATOM 1152 N MET B 1 -30.423 18.024 4.509 1.00 0.00 N ATOM 1153 CA MET B 1 -29.287 17.521 3.703 1.00 0.00 C ATOM 1154 C MET B 1 -28.027 18.313 4.028 1.00 0.00 C ATOM 1155 O MET B 1 -28.115 19.447 4.503 1.00 0.00 O ATOM 1156 CB MET B 1 -29.620 17.588 2.203 1.00 0.00 C ATOM 1157 CG MET B 1 -29.945 18.979 1.677 1.00 0.00 C ATOM 1158 SD MET B 1 -28.475 19.983 1.374 1.00 0.00 S ATOM 1159 CE MET B 1 -29.217 21.502 0.783 1.00 0.00 C ATOM 0 H1 MET B 1 -31.286 18.029 3.928 1.00 0.00 H new ATOM 0 H2 MET B 1 -30.565 17.406 5.333 1.00 0.00 H new ATOM 0 H3 MET B 1 -30.218 18.991 4.833 1.00 0.00 H new ATOM 0 HA MET B 1 -29.106 16.476 3.955 1.00 0.00 H new ATOM 0 HB2 MET B 1 -28.775 17.192 1.641 1.00 0.00 H new ATOM 0 HB3 MET B 1 -30.469 16.934 2.005 1.00 0.00 H new ATOM 0 HG2 MET B 1 -30.512 18.887 0.751 1.00 0.00 H new ATOM 0 HG3 MET B 1 -30.586 19.491 2.394 1.00 0.00 H new ATOM 0 HE1 MET B 1 -28.434 22.224 0.553 1.00 0.00 H new ATOM 0 HE2 MET B 1 -29.798 21.297 -0.117 1.00 0.00 H new ATOM 0 HE3 MET B 1 -29.872 21.910 1.553 1.00 0.00 H new ATOM 1171 N SER B 2 -26.862 17.693 3.803 1.00 0.00 N ATOM 1172 CA SER B 2 -25.553 18.305 4.081 1.00 0.00 C ATOM 1173 C SER B 2 -25.274 18.410 5.580 1.00 0.00 C ATOM 1174 O SER B 2 -24.184 18.796 6.003 1.00 0.00 O ATOM 1175 CB SER B 2 -25.446 19.678 3.426 1.00 0.00 C ATOM 1176 OG SER B 2 -25.501 19.573 2.011 1.00 0.00 O ATOM 0 H SER B 2 -26.799 16.749 3.422 1.00 0.00 H new ATOM 0 HA SER B 2 -24.797 17.648 3.651 1.00 0.00 H new ATOM 0 HB2 SER B 2 -26.256 20.317 3.778 1.00 0.00 H new ATOM 0 HB3 SER B 2 -24.512 20.155 3.723 1.00 0.00 H new ATOM 0 HG SER B 2 -26.435 19.611 1.716 1.00 0.00 H new ATOM 1182 N GLU B 3 -26.268 18.060 6.361 1.00 0.00 N ATOM 1183 CA GLU B 3 -26.155 18.006 7.805 1.00 0.00 C ATOM 1184 C GLU B 3 -27.089 16.934 8.339 1.00 0.00 C ATOM 1185 O GLU B 3 -27.682 16.180 7.562 1.00 0.00 O ATOM 1186 CB GLU B 3 -26.493 19.361 8.430 1.00 0.00 C ATOM 1187 CG GLU B 3 -27.945 19.785 8.251 1.00 0.00 C ATOM 1188 CD GLU B 3 -28.302 21.000 9.082 1.00 0.00 C ATOM 1189 OE1 GLU B 3 -28.379 20.874 10.322 1.00 0.00 O ATOM 1190 OE2 GLU B 3 -28.506 22.087 8.500 1.00 0.00 O ATOM 0 H GLU B 3 -27.190 17.801 6.011 1.00 0.00 H new ATOM 0 HA GLU B 3 -25.127 17.762 8.071 1.00 0.00 H new ATOM 0 HB2 GLU B 3 -26.265 19.324 9.495 1.00 0.00 H new ATOM 0 HB3 GLU B 3 -25.847 20.122 7.992 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -28.130 20.002 7.199 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -28.598 18.957 8.525 1.00 0.00 H new ATOM 1197 N GLY B 4 -27.235 16.874 9.649 1.00 0.00 N ATOM 1198 CA GLY B 4 -28.075 15.862 10.249 1.00 0.00 C ATOM 1199 C GLY B 4 -27.355 14.538 10.380 1.00 0.00 C ATOM 1200 O GLY B 4 -26.616 14.131 9.483 1.00 0.00 O ATOM 0 H GLY B 4 -26.787 17.508 10.310 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -28.401 16.197 11.234 1.00 0.00 H new ATOM 0 HA3 GLY B 4 -28.972 15.729 9.644 1.00 0.00 H new ATOM 1204 N ALA B 5 -27.583 13.857 11.491 1.00 0.00 N ATOM 1205 CA ALA B 5 -26.894 12.605 11.781 1.00 0.00 C ATOM 1206 C ALA B 5 -27.208 11.528 10.745 1.00 0.00 C ATOM 1207 O ALA B 5 -26.413 10.618 10.540 1.00 0.00 O ATOM 1208 CB ALA B 5 -27.258 12.118 13.176 1.00 0.00 C ATOM 0 H ALA B 5 -28.243 14.150 12.212 1.00 0.00 H new ATOM 0 HA ALA B 5 -25.823 12.800 11.735 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -26.738 11.182 13.382 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -26.963 12.867 13.911 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -28.334 11.956 13.235 1.00 0.00 H new ATOM 1214 N GLU B 6 -28.355 11.644 10.083 1.00 0.00 N ATOM 1215 CA GLU B 6 -28.788 10.632 9.124 1.00 0.00 C ATOM 1216 C GLU B 6 -27.896 10.604 7.894 1.00 0.00 C ATOM 1217 O GLU B 6 -27.310 9.573 7.562 1.00 0.00 O ATOM 1218 CB GLU B 6 -30.230 10.889 8.700 1.00 0.00 C ATOM 1219 CG GLU B 6 -31.204 10.875 9.856 1.00 0.00 C ATOM 1220 CD GLU B 6 -32.627 11.108 9.412 1.00 0.00 C ATOM 1221 OE1 GLU B 6 -33.308 10.127 9.055 1.00 0.00 O ATOM 1222 OE2 GLU B 6 -33.071 12.273 9.413 1.00 0.00 O ATOM 0 H GLU B 6 -29.000 12.426 10.192 1.00 0.00 H new ATOM 0 HA GLU B 6 -28.717 9.663 9.619 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -30.287 11.854 8.197 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -30.528 10.133 7.973 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -31.139 9.916 10.371 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -30.920 11.643 10.576 1.00 0.00 H new ATOM 1229 N GLU B 7 -27.776 11.741 7.235 1.00 0.00 N ATOM 1230 CA GLU B 7 -26.995 11.825 6.007 1.00 0.00 C ATOM 1231 C GLU B 7 -25.512 11.713 6.320 1.00 0.00 C ATOM 1232 O GLU B 7 -24.722 11.219 5.512 1.00 0.00 O ATOM 1233 CB GLU B 7 -27.286 13.134 5.277 1.00 0.00 C ATOM 1234 CG GLU B 7 -27.007 13.066 3.784 1.00 0.00 C ATOM 1235 CD GLU B 7 -27.331 14.356 3.062 1.00 0.00 C ATOM 1236 OE1 GLU B 7 -28.506 14.557 2.696 1.00 0.00 O ATOM 1237 OE2 GLU B 7 -26.408 15.171 2.847 1.00 0.00 O ATOM 0 H GLU B 7 -28.206 12.619 7.525 1.00 0.00 H new ATOM 0 HA GLU B 7 -27.279 10.997 5.357 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -28.331 13.404 5.432 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -26.683 13.929 5.716 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -25.956 12.822 3.627 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -27.591 12.255 3.348 1.00 0.00 H new ATOM 1244 N LEU B 8 -25.147 12.164 7.507 1.00 0.00 N ATOM 1245 CA LEU B 8 -23.786 12.052 7.985 1.00 0.00 C ATOM 1246 C LEU B 8 -23.415 10.594 8.219 1.00 0.00 C ATOM 1247 O LEU B 8 -22.300 10.172 7.921 1.00 0.00 O ATOM 1248 CB LEU B 8 -23.633 12.862 9.271 1.00 0.00 C ATOM 1249 CG LEU B 8 -23.078 14.278 9.088 1.00 0.00 C ATOM 1250 CD1 LEU B 8 -23.942 15.090 8.136 1.00 0.00 C ATOM 1251 CD2 LEU B 8 -22.961 14.979 10.433 1.00 0.00 C ATOM 0 H LEU B 8 -25.785 12.616 8.162 1.00 0.00 H new ATOM 0 HA LEU B 8 -23.108 12.449 7.230 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -24.607 12.931 9.756 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -22.977 12.317 9.949 1.00 0.00 H new ATOM 0 HG LEU B 8 -22.084 14.196 8.648 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -23.522 16.090 8.027 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -23.970 14.600 7.163 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -24.954 15.163 8.535 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -22.565 15.984 10.286 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -23.945 15.041 10.898 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -22.289 14.415 11.080 1.00 0.00 H new ATOM 1263 N LYS B 9 -24.365 9.823 8.731 1.00 0.00 N ATOM 1264 CA LYS B 9 -24.137 8.413 9.003 1.00 0.00 C ATOM 1265 C LYS B 9 -24.164 7.616 7.710 1.00 0.00 C ATOM 1266 O LYS B 9 -23.463 6.620 7.571 1.00 0.00 O ATOM 1267 CB LYS B 9 -25.192 7.887 9.972 1.00 0.00 C ATOM 1268 CG LYS B 9 -24.774 6.629 10.711 1.00 0.00 C ATOM 1269 CD LYS B 9 -25.668 6.382 11.910 1.00 0.00 C ATOM 1270 CE LYS B 9 -25.196 5.189 12.718 1.00 0.00 C ATOM 1271 NZ LYS B 9 -25.917 5.086 14.012 1.00 0.00 N ATOM 0 H LYS B 9 -25.301 10.152 8.966 1.00 0.00 H new ATOM 0 HA LYS B 9 -23.154 8.299 9.461 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -25.423 8.665 10.700 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -26.110 7.685 9.420 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -24.820 5.774 10.036 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -23.738 6.722 11.038 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -25.683 7.269 12.543 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -26.691 6.213 11.574 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -25.348 4.276 12.142 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -24.125 5.275 12.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -25.569 4.259 14.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -25.752 5.947 14.571 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -26.936 4.979 13.834 1.00 0.00 H new ATOM 1285 N ALA B 10 -24.979 8.063 6.767 1.00 0.00 N ATOM 1286 CA ALA B 10 -25.003 7.463 5.439 1.00 0.00 C ATOM 1287 C ALA B 10 -23.643 7.622 4.764 1.00 0.00 C ATOM 1288 O ALA B 10 -23.112 6.681 4.168 1.00 0.00 O ATOM 1289 CB ALA B 10 -26.099 8.087 4.589 1.00 0.00 C ATOM 0 H ALA B 10 -25.631 8.837 6.894 1.00 0.00 H new ATOM 0 HA ALA B 10 -25.217 6.399 5.542 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -26.101 7.626 3.601 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -27.066 7.926 5.066 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -25.917 9.157 4.489 1.00 0.00 H new ATOM 1295 N LYS B 11 -23.085 8.823 4.871 1.00 0.00 N ATOM 1296 CA LYS B 11 -21.736 9.091 4.384 1.00 0.00 C ATOM 1297 C LYS B 11 -20.723 8.236 5.143 1.00 0.00 C ATOM 1298 O LYS B 11 -19.834 7.623 4.551 1.00 0.00 O ATOM 1299 CB LYS B 11 -21.397 10.571 4.574 1.00 0.00 C ATOM 1300 CG LYS B 11 -20.031 10.970 4.032 1.00 0.00 C ATOM 1301 CD LYS B 11 -19.949 10.808 2.521 1.00 0.00 C ATOM 1302 CE LYS B 11 -18.551 11.107 2.003 1.00 0.00 C ATOM 1303 NZ LYS B 11 -18.481 11.012 0.524 1.00 0.00 N ATOM 0 H LYS B 11 -23.547 9.629 5.292 1.00 0.00 H new ATOM 0 HA LYS B 11 -21.692 8.842 3.324 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -22.161 11.174 4.083 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -21.438 10.809 5.637 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -19.824 12.007 4.297 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -19.261 10.360 4.505 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -20.230 9.791 2.247 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -20.666 11.476 2.043 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -18.253 12.107 2.318 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -17.842 10.408 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -17.513 11.222 0.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -18.742 10.051 0.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -19.140 11.696 0.101 1.00 0.00 H new ATOM 1317 N LEU B 12 -20.871 8.217 6.460 1.00 0.00 N ATOM 1318 CA LEU B 12 -20.008 7.428 7.332 1.00 0.00 C ATOM 1319 C LEU B 12 -20.057 5.945 6.963 1.00 0.00 C ATOM 1320 O LEU B 12 -19.029 5.274 6.957 1.00 0.00 O ATOM 1321 CB LEU B 12 -20.424 7.627 8.795 1.00 0.00 C ATOM 1322 CG LEU B 12 -19.599 6.862 9.835 1.00 0.00 C ATOM 1323 CD1 LEU B 12 -18.145 7.305 9.801 1.00 0.00 C ATOM 1324 CD2 LEU B 12 -20.182 7.064 11.226 1.00 0.00 C ATOM 0 H LEU B 12 -21.590 8.746 6.954 1.00 0.00 H new ATOM 0 HA LEU B 12 -18.982 7.771 7.201 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -20.369 8.691 9.027 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -21.468 7.332 8.899 1.00 0.00 H new ATOM 0 HG LEU B 12 -19.639 5.801 9.590 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -17.578 6.749 10.547 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -17.729 7.113 8.812 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -18.084 8.371 10.019 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -19.585 6.514 11.954 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -20.171 8.125 11.475 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -21.208 6.697 11.247 1.00 0.00 H new ATOM 1336 N LYS B 13 -21.249 5.444 6.653 1.00 0.00 N ATOM 1337 CA LYS B 13 -21.417 4.050 6.255 1.00 0.00 C ATOM 1338 C LYS B 13 -20.609 3.754 4.999 1.00 0.00 C ATOM 1339 O LYS B 13 -19.893 2.758 4.932 1.00 0.00 O ATOM 1340 CB LYS B 13 -22.890 3.726 6.000 1.00 0.00 C ATOM 1341 CG LYS B 13 -23.136 2.244 5.762 1.00 0.00 C ATOM 1342 CD LYS B 13 -24.602 1.931 5.511 1.00 0.00 C ATOM 1343 CE LYS B 13 -24.801 0.444 5.269 1.00 0.00 C ATOM 1344 NZ LYS B 13 -26.230 0.085 5.075 1.00 0.00 N ATOM 0 H LYS B 13 -22.114 5.984 6.670 1.00 0.00 H new ATOM 0 HA LYS B 13 -21.056 3.426 7.073 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -23.483 4.055 6.854 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -23.237 4.291 5.134 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -22.546 1.914 4.907 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -22.790 1.678 6.627 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -25.198 2.248 6.367 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -24.957 2.495 4.649 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -24.232 0.143 4.390 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -24.401 -0.115 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -26.312 -0.939 4.914 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -26.772 0.346 5.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -26.608 0.596 4.252 1.00 0.00 H new ATOM 1358 N LYS B 14 -20.742 4.624 4.007 1.00 0.00 N ATOM 1359 CA LYS B 14 -19.978 4.517 2.776 1.00 0.00 C ATOM 1360 C LYS B 14 -18.480 4.414 3.067 1.00 0.00 C ATOM 1361 O LYS B 14 -17.786 3.556 2.520 1.00 0.00 O ATOM 1362 CB LYS B 14 -20.261 5.735 1.894 1.00 0.00 C ATOM 1363 CG LYS B 14 -19.560 5.699 0.548 1.00 0.00 C ATOM 1364 CD LYS B 14 -19.949 4.465 -0.247 1.00 0.00 C ATOM 1365 CE LYS B 14 -21.419 4.477 -0.638 1.00 0.00 C ATOM 1366 NZ LYS B 14 -21.773 3.317 -1.500 1.00 0.00 N ATOM 0 H LYS B 14 -21.380 5.419 4.034 1.00 0.00 H new ATOM 0 HA LYS B 14 -20.282 3.609 2.254 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -21.336 5.810 1.730 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -19.956 6.635 2.427 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -19.813 6.594 -0.020 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -18.480 5.712 0.698 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -19.336 4.405 -1.146 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -19.738 3.573 0.343 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -22.034 4.462 0.262 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -21.647 5.404 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -22.783 3.362 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -21.204 3.345 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -21.580 2.432 -0.988 1.00 0.00 H new ATOM 1380 N LEU B 15 -17.999 5.285 3.941 1.00 0.00 N ATOM 1381 CA LEU B 15 -16.589 5.310 4.305 1.00 0.00 C ATOM 1382 C LEU B 15 -16.203 4.068 5.110 1.00 0.00 C ATOM 1383 O LEU B 15 -15.157 3.463 4.869 1.00 0.00 O ATOM 1384 CB LEU B 15 -16.284 6.577 5.105 1.00 0.00 C ATOM 1385 CG LEU B 15 -16.449 7.886 4.330 1.00 0.00 C ATOM 1386 CD1 LEU B 15 -16.113 9.070 5.219 1.00 0.00 C ATOM 1387 CD2 LEU B 15 -15.571 7.888 3.085 1.00 0.00 C ATOM 0 H LEU B 15 -18.567 5.988 4.414 1.00 0.00 H new ATOM 0 HA LEU B 15 -15.998 5.311 3.389 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -16.937 6.604 5.977 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -15.260 6.518 5.475 1.00 0.00 H new ATOM 0 HG LEU B 15 -17.489 7.971 4.014 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -16.235 9.995 4.655 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -16.781 9.080 6.080 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -15.081 8.987 5.561 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -15.703 8.827 2.548 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -14.526 7.780 3.376 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -15.855 7.058 2.438 1.00 0.00 H new ATOM 1399 N ASN B 16 -17.059 3.693 6.053 1.00 0.00 N ATOM 1400 CA ASN B 16 -16.831 2.525 6.899 1.00 0.00 C ATOM 1401 C ASN B 16 -16.752 1.262 6.045 1.00 0.00 C ATOM 1402 O ASN B 16 -15.831 0.454 6.195 1.00 0.00 O ATOM 1403 CB ASN B 16 -17.957 2.403 7.938 1.00 0.00 C ATOM 1404 CG ASN B 16 -17.706 1.340 8.997 1.00 0.00 C ATOM 1405 OD1 ASN B 16 -17.087 0.309 8.745 1.00 0.00 O ATOM 1406 ND2 ASN B 16 -18.203 1.581 10.199 1.00 0.00 N ATOM 0 H ASN B 16 -17.928 4.187 6.253 1.00 0.00 H new ATOM 0 HA ASN B 16 -15.883 2.646 7.423 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -18.091 3.367 8.429 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -18.890 2.176 7.423 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -18.077 0.901 10.949 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -18.712 2.447 10.376 1.00 0.00 H new ATOM 1413 N ALA B 17 -17.710 1.108 5.138 1.00 0.00 N ATOM 1414 CA ALA B 17 -17.749 -0.051 4.257 1.00 0.00 C ATOM 1415 C ALA B 17 -16.510 -0.101 3.372 1.00 0.00 C ATOM 1416 O ALA B 17 -15.893 -1.155 3.213 1.00 0.00 O ATOM 1417 CB ALA B 17 -19.008 -0.029 3.405 1.00 0.00 C ATOM 0 H ALA B 17 -18.470 1.773 4.994 1.00 0.00 H new ATOM 0 HA ALA B 17 -17.763 -0.948 4.876 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -19.021 -0.902 2.753 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -19.885 -0.046 4.052 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -19.021 0.877 2.799 1.00 0.00 H new ATOM 1423 N GLN B 18 -16.142 1.051 2.820 1.00 0.00 N ATOM 1424 CA GLN B 18 -14.972 1.151 1.956 1.00 0.00 C ATOM 1425 C GLN B 18 -13.708 0.771 2.722 1.00 0.00 C ATOM 1426 O GLN B 18 -12.903 -0.034 2.255 1.00 0.00 O ATOM 1427 CB GLN B 18 -14.838 2.574 1.404 1.00 0.00 C ATOM 1428 CG GLN B 18 -13.835 2.695 0.268 1.00 0.00 C ATOM 1429 CD GLN B 18 -14.319 2.036 -1.007 1.00 0.00 C ATOM 1430 OE1 GLN B 18 -14.091 0.849 -1.239 1.00 0.00 O ATOM 1431 NE2 GLN B 18 -14.998 2.801 -1.845 1.00 0.00 N ATOM 0 H GLN B 18 -16.639 1.931 2.957 1.00 0.00 H new ATOM 0 HA GLN B 18 -15.100 0.459 1.124 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -15.813 2.912 1.054 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -14.541 3.242 2.213 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -13.635 3.749 0.075 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -12.891 2.242 0.571 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -15.167 3.781 -1.618 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -15.353 2.411 -2.718 1.00 0.00 H new ATOM 1440 N ALA B 19 -13.554 1.347 3.911 1.00 0.00 N ATOM 1441 CA ALA B 19 -12.394 1.082 4.753 1.00 0.00 C ATOM 1442 C ALA B 19 -12.312 -0.395 5.125 1.00 0.00 C ATOM 1443 O ALA B 19 -11.238 -0.990 5.099 1.00 0.00 O ATOM 1444 CB ALA B 19 -12.442 1.943 6.008 1.00 0.00 C ATOM 0 H ALA B 19 -14.223 2.004 4.314 1.00 0.00 H new ATOM 0 HA ALA B 19 -11.499 1.338 4.186 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.569 1.734 6.626 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.443 2.996 5.727 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -13.348 1.716 6.570 1.00 0.00 H new ATOM 1450 N THR B 20 -13.455 -0.986 5.448 1.00 0.00 N ATOM 1451 CA THR B 20 -13.508 -2.393 5.822 1.00 0.00 C ATOM 1452 C THR B 20 -13.183 -3.290 4.626 1.00 0.00 C ATOM 1453 O THR B 20 -12.508 -4.314 4.769 1.00 0.00 O ATOM 1454 CB THR B 20 -14.893 -2.766 6.391 1.00 0.00 C ATOM 1455 OG1 THR B 20 -15.228 -1.887 7.478 1.00 0.00 O ATOM 1456 CG2 THR B 20 -14.915 -4.207 6.886 1.00 0.00 C ATOM 0 H THR B 20 -14.358 -0.512 5.458 1.00 0.00 H new ATOM 0 HA THR B 20 -12.758 -2.552 6.597 1.00 0.00 H new ATOM 0 HB THR B 20 -15.624 -2.662 5.590 1.00 0.00 H new ATOM 0 HG1 THR B 20 -15.322 -0.972 7.141 1.00 0.00 H new ATOM 0 HG21 THR B 20 -15.904 -4.441 7.281 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.686 -4.879 6.059 1.00 0.00 H new ATOM 0 HG23 THR B 20 -14.171 -4.333 7.672 1.00 0.00 H new ATOM 1464 N ALA B 21 -13.652 -2.896 3.447 1.00 0.00 N ATOM 1465 CA ALA B 21 -13.392 -3.653 2.231 1.00 0.00 C ATOM 1466 C ALA B 21 -11.900 -3.686 1.920 1.00 0.00 C ATOM 1467 O ALA B 21 -11.333 -4.751 1.667 1.00 0.00 O ATOM 1468 CB ALA B 21 -14.165 -3.062 1.064 1.00 0.00 C ATOM 0 H ALA B 21 -14.214 -2.056 3.309 1.00 0.00 H new ATOM 0 HA ALA B 21 -13.728 -4.678 2.389 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -13.960 -3.639 0.162 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -15.233 -3.095 1.281 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -13.858 -2.028 0.910 1.00 0.00 H new ATOM 1474 N LEU B 22 -11.267 -2.520 1.958 1.00 0.00 N ATOM 1475 CA LEU B 22 -9.834 -2.415 1.703 1.00 0.00 C ATOM 1476 C LEU B 22 -9.030 -3.066 2.822 1.00 0.00 C ATOM 1477 O LEU B 22 -7.950 -3.599 2.584 1.00 0.00 O ATOM 1478 CB LEU B 22 -9.409 -0.951 1.529 1.00 0.00 C ATOM 1479 CG LEU B 22 -9.570 -0.376 0.114 1.00 0.00 C ATOM 1480 CD1 LEU B 22 -8.798 -1.212 -0.897 1.00 0.00 C ATOM 1481 CD2 LEU B 22 -11.036 -0.287 -0.282 1.00 0.00 C ATOM 0 H LEU B 22 -11.724 -1.631 2.163 1.00 0.00 H new ATOM 0 HA LEU B 22 -9.627 -2.946 0.774 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.990 -0.339 2.219 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.363 -0.858 1.823 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.159 0.634 0.118 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -8.925 -0.788 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -7.740 -1.213 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -9.175 -2.235 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -11.117 0.124 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -11.480 -1.282 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -11.563 0.361 0.418 1.00 0.00 H new ATOM 1493 N LYS B 23 -9.570 -3.029 4.035 1.00 0.00 N ATOM 1494 CA LYS B 23 -8.936 -3.667 5.183 1.00 0.00 C ATOM 1495 C LYS B 23 -8.649 -5.138 4.894 1.00 0.00 C ATOM 1496 O LYS B 23 -7.524 -5.612 5.066 1.00 0.00 O ATOM 1497 CB LYS B 23 -9.840 -3.545 6.414 1.00 0.00 C ATOM 1498 CG LYS B 23 -9.287 -4.225 7.657 1.00 0.00 C ATOM 1499 CD LYS B 23 -10.245 -4.111 8.831 1.00 0.00 C ATOM 1500 CE LYS B 23 -9.703 -4.818 10.065 1.00 0.00 C ATOM 1501 NZ LYS B 23 -10.651 -4.739 11.208 1.00 0.00 N ATOM 0 H LYS B 23 -10.451 -2.561 4.249 1.00 0.00 H new ATOM 0 HA LYS B 23 -7.990 -3.162 5.379 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -10.001 -2.489 6.631 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -10.814 -3.974 6.181 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -9.097 -5.277 7.443 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -8.330 -3.776 7.923 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -10.418 -3.059 9.060 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -11.209 -4.541 8.558 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -9.506 -5.863 9.828 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -8.751 -4.371 10.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -10.246 -5.232 12.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -10.820 -3.742 11.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -11.551 -5.188 10.944 1.00 0.00 H new ATOM 1515 N MET B 24 -9.670 -5.849 4.438 1.00 0.00 N ATOM 1516 CA MET B 24 -9.532 -7.262 4.131 1.00 0.00 C ATOM 1517 C MET B 24 -8.772 -7.457 2.823 1.00 0.00 C ATOM 1518 O MET B 24 -7.953 -8.368 2.700 1.00 0.00 O ATOM 1519 CB MET B 24 -10.908 -7.925 4.046 1.00 0.00 C ATOM 1520 CG MET B 24 -10.849 -9.420 3.781 1.00 0.00 C ATOM 1521 SD MET B 24 -12.484 -10.181 3.730 1.00 0.00 S ATOM 1522 CE MET B 24 -13.085 -9.811 5.377 1.00 0.00 C ATOM 0 H MET B 24 -10.602 -5.469 4.273 1.00 0.00 H new ATOM 0 HA MET B 24 -8.964 -7.733 4.934 1.00 0.00 H new ATOM 0 HB2 MET B 24 -11.444 -7.751 4.979 1.00 0.00 H new ATOM 0 HB3 MET B 24 -11.484 -7.447 3.254 1.00 0.00 H new ATOM 0 HG2 MET B 24 -10.340 -9.597 2.834 1.00 0.00 H new ATOM 0 HG3 MET B 24 -10.253 -9.900 4.558 1.00 0.00 H new ATOM 0 HE1 MET B 24 -13.899 -10.491 5.629 1.00 0.00 H new ATOM 0 HE2 MET B 24 -12.275 -9.933 6.096 1.00 0.00 H new ATOM 0 HE3 MET B 24 -13.448 -8.784 5.410 1.00 0.00 H new ATOM 1532 N ASP B 25 -9.028 -6.577 1.860 1.00 0.00 N ATOM 1533 CA ASP B 25 -8.443 -6.693 0.525 1.00 0.00 C ATOM 1534 C ASP B 25 -6.925 -6.540 0.582 1.00 0.00 C ATOM 1535 O ASP B 25 -6.185 -7.312 -0.030 1.00 0.00 O ATOM 1536 CB ASP B 25 -9.044 -5.636 -0.406 1.00 0.00 C ATOM 1537 CG ASP B 25 -8.912 -6.005 -1.872 1.00 0.00 C ATOM 1538 OD1 ASP B 25 -7.846 -5.760 -2.462 1.00 0.00 O ATOM 1539 OD2 ASP B 25 -9.891 -6.538 -2.443 1.00 0.00 O ATOM 0 H ASP B 25 -9.641 -5.770 1.979 1.00 0.00 H new ATOM 0 HA ASP B 25 -8.673 -7.684 0.135 1.00 0.00 H new ATOM 0 HB2 ASP B 25 -10.098 -5.500 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP B 25 -8.551 -4.680 -0.230 1.00 0.00 H new ATOM 1544 N LEU B 26 -6.468 -5.550 1.342 1.00 0.00 N ATOM 1545 CA LEU B 26 -5.040 -5.287 1.488 1.00 0.00 C ATOM 1546 C LEU B 26 -4.353 -6.427 2.231 1.00 0.00 C ATOM 1547 O LEU B 26 -3.297 -6.902 1.816 1.00 0.00 O ATOM 1548 CB LEU B 26 -4.807 -3.967 2.233 1.00 0.00 C ATOM 1549 CG LEU B 26 -3.338 -3.604 2.477 1.00 0.00 C ATOM 1550 CD1 LEU B 26 -2.621 -3.335 1.160 1.00 0.00 C ATOM 1551 CD2 LEU B 26 -3.236 -2.398 3.397 1.00 0.00 C ATOM 0 H LEU B 26 -7.068 -4.915 1.868 1.00 0.00 H new ATOM 0 HA LEU B 26 -4.610 -5.210 0.489 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -5.274 -3.162 1.666 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -5.317 -4.017 3.195 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.852 -4.451 2.961 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.580 -3.079 1.358 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.663 -4.226 0.534 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.106 -2.506 0.644 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -2.187 -2.153 3.561 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -3.740 -1.547 2.939 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -3.708 -2.628 4.352 1.00 0.00 H new ATOM 1563 N HIS B 27 -4.960 -6.868 3.326 1.00 0.00 N ATOM 1564 CA HIS B 27 -4.378 -7.931 4.137 1.00 0.00 C ATOM 1565 C HIS B 27 -4.304 -9.235 3.346 1.00 0.00 C ATOM 1566 O HIS B 27 -3.307 -9.946 3.409 1.00 0.00 O ATOM 1567 CB HIS B 27 -5.182 -8.130 5.426 1.00 0.00 C ATOM 1568 CG HIS B 27 -4.618 -9.188 6.331 1.00 0.00 C ATOM 1569 ND1 HIS B 27 -5.280 -10.361 6.616 1.00 0.00 N ATOM 1570 CD2 HIS B 27 -3.440 -9.251 7.001 1.00 0.00 C ATOM 1571 CE1 HIS B 27 -4.536 -11.101 7.418 1.00 0.00 C ATOM 1572 NE2 HIS B 27 -3.415 -10.452 7.668 1.00 0.00 N ATOM 0 H HIS B 27 -5.850 -6.509 3.672 1.00 0.00 H new ATOM 0 HA HIS B 27 -3.364 -7.636 4.407 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.223 -7.185 5.968 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -6.207 -8.394 5.167 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -2.666 -8.498 7.009 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -4.801 -12.074 7.804 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -2.654 -10.787 8.259 1.00 0.00 H new ATOM 1581 N ASP B 28 -5.357 -9.528 2.593 1.00 0.00 N ATOM 1582 CA ASP B 28 -5.398 -10.725 1.756 1.00 0.00 C ATOM 1583 C ASP B 28 -4.252 -10.713 0.748 1.00 0.00 C ATOM 1584 O ASP B 28 -3.600 -11.734 0.519 1.00 0.00 O ATOM 1585 CB ASP B 28 -6.742 -10.812 1.028 1.00 0.00 C ATOM 1586 CG ASP B 28 -6.820 -11.980 0.063 1.00 0.00 C ATOM 1587 OD1 ASP B 28 -6.994 -13.130 0.521 1.00 0.00 O ATOM 1588 OD2 ASP B 28 -6.724 -11.752 -1.159 1.00 0.00 O ATOM 0 H ASP B 28 -6.198 -8.952 2.543 1.00 0.00 H new ATOM 0 HA ASP B 28 -5.286 -11.600 2.396 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -7.542 -10.901 1.763 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -6.913 -9.885 0.482 1.00 0.00 H new ATOM 1593 N LEU B 29 -3.999 -9.545 0.173 1.00 0.00 N ATOM 1594 CA LEU B 29 -2.916 -9.374 -0.785 1.00 0.00 C ATOM 1595 C LEU B 29 -1.553 -9.497 -0.099 1.00 0.00 C ATOM 1596 O LEU B 29 -0.622 -10.082 -0.651 1.00 0.00 O ATOM 1597 CB LEU B 29 -3.047 -8.010 -1.469 1.00 0.00 C ATOM 1598 CG LEU B 29 -1.971 -7.672 -2.505 1.00 0.00 C ATOM 1599 CD1 LEU B 29 -1.995 -8.663 -3.660 1.00 0.00 C ATOM 1600 CD2 LEU B 29 -2.167 -6.257 -3.023 1.00 0.00 C ATOM 0 H LEU B 29 -4.534 -8.696 0.356 1.00 0.00 H new ATOM 0 HA LEU B 29 -2.985 -10.162 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -4.021 -7.963 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -3.038 -7.238 -0.700 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.998 -7.740 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.221 -8.400 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.811 -9.668 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.970 -8.631 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.396 -6.029 -3.759 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -3.149 -6.173 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -2.097 -5.553 -2.194 1.00 0.00 H new ATOM 1612 N ALA B 30 -1.452 -8.960 1.112 1.00 0.00 N ATOM 1613 CA ALA B 30 -0.201 -8.981 1.862 1.00 0.00 C ATOM 1614 C ALA B 30 0.182 -10.397 2.282 1.00 0.00 C ATOM 1615 O ALA B 30 1.356 -10.762 2.270 1.00 0.00 O ATOM 1616 CB ALA B 30 -0.309 -8.082 3.082 1.00 0.00 C ATOM 0 H ALA B 30 -2.224 -8.503 1.597 1.00 0.00 H new ATOM 0 HA ALA B 30 0.586 -8.607 1.207 1.00 0.00 H new ATOM 0 HB1 ALA B 30 0.630 -8.105 3.635 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -0.518 -7.061 2.764 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -1.116 -8.435 3.724 1.00 0.00 H new ATOM 1622 N GLU B 31 -0.810 -11.192 2.655 1.00 0.00 N ATOM 1623 CA GLU B 31 -0.578 -12.566 3.065 1.00 0.00 C ATOM 1624 C GLU B 31 -0.243 -13.445 1.868 1.00 0.00 C ATOM 1625 O GLU B 31 0.368 -14.505 2.009 1.00 0.00 O ATOM 1626 CB GLU B 31 -1.814 -13.118 3.767 1.00 0.00 C ATOM 1627 CG GLU B 31 -2.236 -12.329 4.993 1.00 0.00 C ATOM 1628 CD GLU B 31 -1.108 -12.136 5.981 1.00 0.00 C ATOM 1629 OE1 GLU B 31 -0.686 -13.128 6.616 1.00 0.00 O ATOM 1630 OE2 GLU B 31 -0.644 -10.996 6.140 1.00 0.00 O ATOM 0 H GLU B 31 -1.789 -10.905 2.682 1.00 0.00 H new ATOM 0 HA GLU B 31 0.269 -12.573 3.751 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -2.642 -13.138 3.059 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.621 -14.150 4.061 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -2.611 -11.354 4.681 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -3.060 -12.845 5.486 1.00 0.00 H new ATOM 1637 N ASP B 32 -0.653 -13.001 0.692 1.00 0.00 N ATOM 1638 CA ASP B 32 -0.501 -13.789 -0.523 1.00 0.00 C ATOM 1639 C ASP B 32 0.487 -13.125 -1.476 1.00 0.00 C ATOM 1640 O ASP B 32 0.403 -13.294 -2.692 1.00 0.00 O ATOM 1641 CB ASP B 32 -1.857 -13.979 -1.201 1.00 0.00 C ATOM 1642 CG ASP B 32 -1.897 -15.214 -2.076 1.00 0.00 C ATOM 1643 OD1 ASP B 32 -1.638 -16.322 -1.554 1.00 0.00 O ATOM 1644 OD2 ASP B 32 -2.217 -15.092 -3.276 1.00 0.00 O ATOM 0 H ASP B 32 -1.097 -12.093 0.551 1.00 0.00 H new ATOM 0 HA ASP B 32 -0.106 -14.768 -0.254 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -2.634 -14.051 -0.440 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -2.084 -13.101 -1.806 1.00 0.00 H new ATOM 1649 N LEU B 33 1.400 -12.342 -0.899 1.00 0.00 N ATOM 1650 CA LEU B 33 2.459 -11.638 -1.638 1.00 0.00 C ATOM 1651 C LEU B 33 3.117 -12.497 -2.725 1.00 0.00 C ATOM 1652 O LEU B 33 3.010 -13.726 -2.714 1.00 0.00 O ATOM 1653 CB LEU B 33 3.482 -11.048 -0.665 1.00 0.00 C ATOM 1654 CG LEU B 33 3.113 -9.664 -0.120 1.00 0.00 C ATOM 1655 CD1 LEU B 33 4.201 -9.147 0.810 1.00 0.00 C ATOM 1656 CD2 LEU B 33 2.877 -8.683 -1.268 1.00 0.00 C ATOM 0 H LEU B 33 1.428 -12.174 0.107 1.00 0.00 H new ATOM 0 HA LEU B 33 1.985 -10.818 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU B 33 3.606 -11.734 0.173 1.00 0.00 H new ATOM 0 HB3 LEU B 33 4.447 -10.982 -1.168 1.00 0.00 H new ATOM 0 HG LEU B 33 2.189 -9.754 0.451 1.00 0.00 H new ATOM 0 HD11 LEU B 33 3.921 -8.163 1.187 1.00 0.00 H new ATOM 0 HD12 LEU B 33 4.322 -9.835 1.647 1.00 0.00 H new ATOM 0 HD13 LEU B 33 5.141 -9.072 0.264 1.00 0.00 H new ATOM 0 HD21 LEU B 33 2.616 -7.705 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU B 33 3.784 -8.598 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU B 33 2.062 -9.046 -1.895 1.00 0.00 H new ATOM 1668 N PRO B 34 3.926 -11.848 -3.596 1.00 0.00 N ATOM 1669 CA PRO B 34 3.932 -12.042 -5.022 1.00 0.00 C ATOM 1670 C PRO B 34 2.944 -13.069 -5.555 1.00 0.00 C ATOM 1671 O PRO B 34 3.003 -14.257 -5.260 1.00 0.00 O ATOM 1672 CB PRO B 34 5.384 -12.433 -5.227 1.00 0.00 C ATOM 1673 CG PRO B 34 6.125 -11.559 -4.244 1.00 0.00 C ATOM 1674 CD PRO B 34 5.086 -11.019 -3.271 1.00 0.00 C ATOM 0 HA PRO B 34 3.599 -11.165 -5.577 1.00 0.00 H new ATOM 0 HB2 PRO B 34 5.547 -13.492 -5.025 1.00 0.00 H new ATOM 0 HB3 PRO B 34 5.709 -12.250 -6.251 1.00 0.00 H new ATOM 0 HG2 PRO B 34 6.889 -12.131 -3.717 1.00 0.00 H new ATOM 0 HG3 PRO B 34 6.635 -10.744 -4.758 1.00 0.00 H new ATOM 0 HD2 PRO B 34 5.396 -11.136 -2.233 1.00 0.00 H new ATOM 0 HD3 PRO B 34 4.889 -9.958 -3.427 1.00 0.00 H new ATOM 1682 N THR B 35 2.117 -12.533 -6.443 1.00 0.00 N ATOM 1683 CA THR B 35 1.074 -13.227 -7.201 1.00 0.00 C ATOM 1684 C THR B 35 0.228 -12.157 -7.892 1.00 0.00 C ATOM 1685 O THR B 35 0.161 -12.089 -9.118 1.00 0.00 O ATOM 1686 CB THR B 35 0.148 -14.124 -6.328 1.00 0.00 C ATOM 1687 OG1 THR B 35 0.839 -15.308 -5.908 1.00 0.00 O ATOM 1688 CG2 THR B 35 -1.109 -14.526 -7.092 1.00 0.00 C ATOM 0 H THR B 35 2.156 -11.539 -6.670 1.00 0.00 H new ATOM 0 HA THR B 35 1.564 -13.899 -7.906 1.00 0.00 H new ATOM 0 HB THR B 35 -0.139 -13.540 -5.453 1.00 0.00 H new ATOM 0 HG1 THR B 35 1.550 -15.066 -5.279 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.736 -15.152 -6.457 1.00 0.00 H new ATOM 0 HG22 THR B 35 -1.662 -13.632 -7.379 1.00 0.00 H new ATOM 0 HG23 THR B 35 -0.829 -15.082 -7.986 1.00 0.00 H new ATOM 1696 N GLY B 36 -0.376 -11.292 -7.080 1.00 0.00 N ATOM 1697 CA GLY B 36 -1.146 -10.173 -7.597 1.00 0.00 C ATOM 1698 C GLY B 36 -0.658 -8.847 -7.040 1.00 0.00 C ATOM 1699 O GLY B 36 -1.408 -7.875 -6.962 1.00 0.00 O ATOM 0 H GLY B 36 -0.345 -11.348 -6.062 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -1.079 -10.157 -8.685 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -2.198 -10.308 -7.345 1.00 0.00 H new ATOM 1703 N TRP B 37 0.619 -8.813 -6.669 1.00 0.00 N ATOM 1704 CA TRP B 37 1.246 -7.634 -6.072 1.00 0.00 C ATOM 1705 C TRP B 37 1.285 -6.455 -7.044 1.00 0.00 C ATOM 1706 O TRP B 37 1.577 -5.329 -6.651 1.00 0.00 O ATOM 1707 CB TRP B 37 2.666 -7.976 -5.610 1.00 0.00 C ATOM 1708 CG TRP B 37 3.554 -8.487 -6.709 1.00 0.00 C ATOM 1709 CD1 TRP B 37 3.512 -9.724 -7.283 1.00 0.00 C ATOM 1710 CD2 TRP B 37 4.614 -7.778 -7.366 1.00 0.00 C ATOM 1711 NE1 TRP B 37 4.477 -9.833 -8.249 1.00 0.00 N ATOM 1712 CE2 TRP B 37 5.168 -8.650 -8.322 1.00 0.00 C ATOM 1713 CE3 TRP B 37 5.152 -6.492 -7.239 1.00 0.00 C ATOM 1714 CZ2 TRP B 37 6.229 -8.278 -9.146 1.00 0.00 C ATOM 1715 CZ3 TRP B 37 6.203 -6.125 -8.058 1.00 0.00 C ATOM 1716 CH2 TRP B 37 6.732 -7.013 -9.001 1.00 0.00 C ATOM 0 H TRP B 37 1.252 -9.606 -6.774 1.00 0.00 H new ATOM 0 HA TRP B 37 0.642 -7.336 -5.215 1.00 0.00 H new ATOM 0 HB2 TRP B 37 3.120 -7.087 -5.173 1.00 0.00 H new ATOM 0 HB3 TRP B 37 2.611 -8.726 -4.821 1.00 0.00 H new ATOM 0 HD1 TRP B 37 2.817 -10.506 -7.014 1.00 0.00 H new ATOM 0 HE1 TRP B 37 4.653 -10.659 -8.821 1.00 0.00 H new ATOM 0 HE3 TRP B 37 4.753 -5.799 -6.514 1.00 0.00 H new ATOM 0 HZ2 TRP B 37 6.640 -8.963 -9.873 1.00 0.00 H new ATOM 0 HZ3 TRP B 37 6.624 -5.134 -7.968 1.00 0.00 H new ATOM 0 HH2 TRP B 37 7.553 -6.694 -9.626 1.00 0.00 H new ATOM 1727 N ASN B 38 0.975 -6.715 -8.307 1.00 0.00 N ATOM 1728 CA ASN B 38 0.928 -5.659 -9.317 1.00 0.00 C ATOM 1729 C ASN B 38 -0.223 -4.697 -9.018 1.00 0.00 C ATOM 1730 O ASN B 38 -0.304 -3.603 -9.578 1.00 0.00 O ATOM 1731 CB ASN B 38 0.760 -6.271 -10.716 1.00 0.00 C ATOM 1732 CG ASN B 38 0.914 -5.254 -11.834 1.00 0.00 C ATOM 1733 OD1 ASN B 38 1.696 -4.308 -11.729 1.00 0.00 O ATOM 1734 ND2 ASN B 38 0.166 -5.443 -12.908 1.00 0.00 N ATOM 0 H ASN B 38 0.752 -7.646 -8.659 1.00 0.00 H new ATOM 0 HA ASN B 38 1.865 -5.103 -9.289 1.00 0.00 H new ATOM 0 HB2 ASN B 38 1.496 -7.064 -10.850 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -0.224 -6.734 -10.788 1.00 0.00 H new ATOM 0 HD21 ASN B 38 0.224 -4.792 -13.691 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -0.469 -6.240 -12.954 1.00 0.00 H new ATOM 1741 N ARG B 39 -1.113 -5.113 -8.125 1.00 0.00 N ATOM 1742 CA ARG B 39 -2.258 -4.297 -7.743 1.00 0.00 C ATOM 1743 C ARG B 39 -2.036 -3.657 -6.366 1.00 0.00 C ATOM 1744 O ARG B 39 -2.896 -2.931 -5.864 1.00 0.00 O ATOM 1745 CB ARG B 39 -3.523 -5.168 -7.718 1.00 0.00 C ATOM 1746 CG ARG B 39 -4.819 -4.384 -7.569 1.00 0.00 C ATOM 1747 CD ARG B 39 -6.011 -5.307 -7.379 1.00 0.00 C ATOM 1748 NE ARG B 39 -7.268 -4.567 -7.253 1.00 0.00 N ATOM 1749 CZ ARG B 39 -8.124 -4.720 -6.240 1.00 0.00 C ATOM 1750 NH1 ARG B 39 -7.847 -5.565 -5.254 1.00 0.00 N ATOM 1751 NH2 ARG B 39 -9.261 -4.033 -6.217 1.00 0.00 N ATOM 0 H ARG B 39 -1.063 -6.014 -7.650 1.00 0.00 H new ATOM 0 HA ARG B 39 -2.378 -3.499 -8.475 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -3.568 -5.750 -8.638 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -3.445 -5.878 -6.895 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -4.741 -3.709 -6.717 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -4.974 -3.765 -8.453 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -6.077 -5.991 -8.225 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.859 -5.916 -6.488 1.00 0.00 H new ATOM 0 HE ARG B 39 -7.504 -3.894 -7.983 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -6.978 -6.099 -5.269 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -8.503 -5.680 -4.481 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -9.482 -3.387 -6.975 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -9.913 -4.152 -5.442 1.00 0.00 H new ATOM 1765 N ILE B 40 -0.862 -3.900 -5.776 1.00 0.00 N ATOM 1766 CA ILE B 40 -0.598 -3.495 -4.395 1.00 0.00 C ATOM 1767 C ILE B 40 -0.701 -1.980 -4.216 1.00 0.00 C ATOM 1768 O ILE B 40 -1.185 -1.502 -3.192 1.00 0.00 O ATOM 1769 CB ILE B 40 0.788 -3.994 -3.909 1.00 0.00 C ATOM 1770 CG1 ILE B 40 0.847 -3.973 -2.379 1.00 0.00 C ATOM 1771 CG2 ILE B 40 1.923 -3.161 -4.497 1.00 0.00 C ATOM 1772 CD1 ILE B 40 2.159 -4.468 -1.809 1.00 0.00 C ATOM 0 H ILE B 40 -0.083 -4.374 -6.233 1.00 0.00 H new ATOM 0 HA ILE B 40 -1.368 -3.963 -3.782 1.00 0.00 H new ATOM 0 HB ILE B 40 0.917 -5.018 -4.258 1.00 0.00 H new ATOM 0 HG12 ILE B 40 0.673 -2.954 -2.032 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.037 -4.587 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.878 -3.540 -4.134 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.896 -3.226 -5.585 1.00 0.00 H new ATOM 0 HG23 ILE B 40 1.806 -2.121 -4.193 1.00 0.00 H new ATOM 0 HD11 ILE B 40 2.123 -4.423 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE B 40 2.327 -5.498 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.973 -3.840 -2.172 1.00 0.00 H new ATOM 1784 N MET B 41 -0.276 -1.234 -5.230 1.00 0.00 N ATOM 1785 CA MET B 41 -0.292 0.224 -5.165 1.00 0.00 C ATOM 1786 C MET B 41 -1.719 0.741 -5.073 1.00 0.00 C ATOM 1787 O MET B 41 -2.041 1.510 -4.173 1.00 0.00 O ATOM 1788 CB MET B 41 0.405 0.835 -6.385 1.00 0.00 C ATOM 1789 CG MET B 41 1.863 0.431 -6.528 1.00 0.00 C ATOM 1790 SD MET B 41 2.878 0.943 -5.126 1.00 0.00 S ATOM 1791 CE MET B 41 2.765 2.725 -5.258 1.00 0.00 C ATOM 0 H MET B 41 0.083 -1.614 -6.106 1.00 0.00 H new ATOM 0 HA MET B 41 0.251 0.523 -4.268 1.00 0.00 H new ATOM 0 HB2 MET B 41 -0.134 0.539 -7.285 1.00 0.00 H new ATOM 0 HB3 MET B 41 0.344 1.921 -6.320 1.00 0.00 H new ATOM 0 HG2 MET B 41 1.925 -0.652 -6.638 1.00 0.00 H new ATOM 0 HG3 MET B 41 2.267 0.868 -7.441 1.00 0.00 H new ATOM 0 HE1 MET B 41 3.515 3.186 -4.615 1.00 0.00 H new ATOM 0 HE2 MET B 41 2.940 3.025 -6.291 1.00 0.00 H new ATOM 0 HE3 MET B 41 1.772 3.051 -4.949 1.00 0.00 H new ATOM 1801 N GLU B 42 -2.569 0.289 -5.992 1.00 0.00 N ATOM 1802 CA GLU B 42 -3.964 0.729 -6.040 1.00 0.00 C ATOM 1803 C GLU B 42 -4.667 0.448 -4.720 1.00 0.00 C ATOM 1804 O GLU B 42 -5.382 1.297 -4.180 1.00 0.00 O ATOM 1805 CB GLU B 42 -4.709 0.010 -7.164 1.00 0.00 C ATOM 1806 CG GLU B 42 -6.056 0.626 -7.479 1.00 0.00 C ATOM 1807 CD GLU B 42 -6.827 -0.155 -8.522 1.00 0.00 C ATOM 1808 OE1 GLU B 42 -6.438 -0.124 -9.704 1.00 0.00 O ATOM 1809 OE2 GLU B 42 -7.839 -0.789 -8.167 1.00 0.00 O ATOM 0 H GLU B 42 -2.317 -0.384 -6.716 1.00 0.00 H new ATOM 0 HA GLU B 42 -3.968 1.803 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -4.093 0.020 -8.063 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -4.851 -1.035 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.647 0.684 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -5.910 1.648 -7.830 1.00 0.00 H new ATOM 1816 N VAL B 43 -4.464 -0.755 -4.211 1.00 0.00 N ATOM 1817 CA VAL B 43 -5.043 -1.151 -2.938 1.00 0.00 C ATOM 1818 C VAL B 43 -4.537 -0.247 -1.818 1.00 0.00 C ATOM 1819 O VAL B 43 -5.316 0.229 -0.994 1.00 0.00 O ATOM 1820 CB VAL B 43 -4.730 -2.624 -2.600 1.00 0.00 C ATOM 1821 CG1 VAL B 43 -5.399 -3.030 -1.298 1.00 0.00 C ATOM 1822 CG2 VAL B 43 -5.175 -3.538 -3.732 1.00 0.00 C ATOM 0 H VAL B 43 -3.901 -1.477 -4.661 1.00 0.00 H new ATOM 0 HA VAL B 43 -6.124 -1.047 -3.028 1.00 0.00 H new ATOM 0 HB VAL B 43 -3.651 -2.724 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -5.166 -4.072 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -5.034 -2.398 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -6.479 -2.912 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -4.946 -4.572 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -6.249 -3.431 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -4.649 -3.266 -4.647 1.00 0.00 H new ATOM 1832 N ALA B 44 -3.234 0.011 -1.810 1.00 0.00 N ATOM 1833 CA ALA B 44 -2.631 0.883 -0.811 1.00 0.00 C ATOM 1834 C ALA B 44 -3.195 2.299 -0.906 1.00 0.00 C ATOM 1835 O ALA B 44 -3.479 2.927 0.116 1.00 0.00 O ATOM 1836 CB ALA B 44 -1.119 0.897 -0.969 1.00 0.00 C ATOM 0 H ALA B 44 -2.574 -0.373 -2.486 1.00 0.00 H new ATOM 0 HA ALA B 44 -2.876 0.491 0.176 1.00 0.00 H new ATOM 0 HB1 ALA B 44 -0.681 1.552 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA B 44 -0.730 -0.113 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA B 44 -0.860 1.262 -1.963 1.00 0.00 H new ATOM 1842 N GLU B 45 -3.356 2.791 -2.134 1.00 0.00 N ATOM 1843 CA GLU B 45 -3.961 4.092 -2.381 1.00 0.00 C ATOM 1844 C GLU B 45 -5.324 4.188 -1.711 1.00 0.00 C ATOM 1845 O GLU B 45 -5.555 5.055 -0.868 1.00 0.00 O ATOM 1846 CB GLU B 45 -4.125 4.315 -3.888 1.00 0.00 C ATOM 1847 CG GLU B 45 -2.819 4.368 -4.663 1.00 0.00 C ATOM 1848 CD GLU B 45 -3.032 4.591 -6.149 1.00 0.00 C ATOM 1849 OE1 GLU B 45 -3.718 3.767 -6.788 1.00 0.00 O ATOM 1850 OE2 GLU B 45 -2.515 5.595 -6.689 1.00 0.00 O ATOM 0 H GLU B 45 -3.071 2.298 -2.980 1.00 0.00 H new ATOM 0 HA GLU B 45 -3.306 4.857 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -4.743 3.515 -4.296 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -4.666 5.248 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -2.196 5.169 -4.265 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -2.274 3.436 -4.513 1.00 0.00 H new ATOM 1857 N LYS B 46 -6.207 3.268 -2.073 1.00 0.00 N ATOM 1858 CA LYS B 46 -7.582 3.292 -1.598 1.00 0.00 C ATOM 1859 C LYS B 46 -7.654 3.052 -0.093 1.00 0.00 C ATOM 1860 O LYS B 46 -8.441 3.697 0.601 1.00 0.00 O ATOM 1861 CB LYS B 46 -8.411 2.245 -2.344 1.00 0.00 C ATOM 1862 CG LYS B 46 -9.721 2.790 -2.896 1.00 0.00 C ATOM 1863 CD LYS B 46 -9.486 3.945 -3.863 1.00 0.00 C ATOM 1864 CE LYS B 46 -8.602 3.531 -5.028 1.00 0.00 C ATOM 1865 NZ LYS B 46 -8.351 4.657 -5.965 1.00 0.00 N ATOM 0 H LYS B 46 -5.993 2.491 -2.698 1.00 0.00 H new ATOM 0 HA LYS B 46 -7.993 4.282 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -7.819 1.842 -3.166 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -8.627 1.416 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -10.261 1.992 -3.406 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -10.351 3.127 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -10.443 4.303 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -9.022 4.776 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -7.651 3.158 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -9.074 2.709 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -7.744 4.331 -6.744 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -9.256 4.997 -6.349 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -7.877 5.432 -5.458 1.00 0.00 H new ATOM 1879 N THR B 47 -6.836 2.130 0.402 1.00 0.00 N ATOM 1880 CA THR B 47 -6.797 1.831 1.828 1.00 0.00 C ATOM 1881 C THR B 47 -6.399 3.070 2.628 1.00 0.00 C ATOM 1882 O THR B 47 -7.083 3.451 3.582 1.00 0.00 O ATOM 1883 CB THR B 47 -5.809 0.682 2.135 1.00 0.00 C ATOM 1884 OG1 THR B 47 -6.158 -0.484 1.379 1.00 0.00 O ATOM 1885 CG2 THR B 47 -5.811 0.340 3.617 1.00 0.00 C ATOM 0 H THR B 47 -6.191 1.577 -0.163 1.00 0.00 H new ATOM 0 HA THR B 47 -7.799 1.518 2.122 1.00 0.00 H new ATOM 0 HB THR B 47 -4.810 1.016 1.855 1.00 0.00 H new ATOM 0 HG1 THR B 47 -5.812 -0.398 0.466 1.00 0.00 H new ATOM 0 HG21 THR B 47 -5.107 -0.471 3.804 1.00 0.00 H new ATOM 0 HG22 THR B 47 -5.516 1.217 4.193 1.00 0.00 H new ATOM 0 HG23 THR B 47 -6.812 0.029 3.917 1.00 0.00 H new ATOM 1893 N TYR B 48 -5.309 3.708 2.218 1.00 0.00 N ATOM 1894 CA TYR B 48 -4.818 4.895 2.903 1.00 0.00 C ATOM 1895 C TYR B 48 -5.854 6.013 2.849 1.00 0.00 C ATOM 1896 O TYR B 48 -6.172 6.627 3.871 1.00 0.00 O ATOM 1897 CB TYR B 48 -3.501 5.366 2.279 1.00 0.00 C ATOM 1898 CG TYR B 48 -2.967 6.652 2.877 1.00 0.00 C ATOM 1899 CD1 TYR B 48 -2.781 6.778 4.246 1.00 0.00 C ATOM 1900 CD2 TYR B 48 -2.646 7.738 2.070 1.00 0.00 C ATOM 1901 CE1 TYR B 48 -2.294 7.946 4.795 1.00 0.00 C ATOM 1902 CE2 TYR B 48 -2.157 8.912 2.616 1.00 0.00 C ATOM 1903 CZ TYR B 48 -1.983 9.008 3.980 1.00 0.00 C ATOM 1904 OH TYR B 48 -1.492 10.166 4.532 1.00 0.00 O ATOM 0 H TYR B 48 -4.749 3.422 1.415 1.00 0.00 H new ATOM 0 HA TYR B 48 -4.639 4.638 3.947 1.00 0.00 H new ATOM 0 HB2 TYR B 48 -2.753 4.583 2.398 1.00 0.00 H new ATOM 0 HB3 TYR B 48 -3.647 5.507 1.208 1.00 0.00 H new ATOM 0 HD1 TYR B 48 -3.022 5.947 4.893 1.00 0.00 H new ATOM 0 HD2 TYR B 48 -2.780 7.664 1.001 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -2.157 8.026 5.863 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -1.913 9.748 1.977 1.00 0.00 H new ATOM 0 HH TYR B 48 -0.831 9.945 5.221 1.00 0.00 H new ATOM 1914 N GLU B 49 -6.382 6.262 1.654 1.00 0.00 N ATOM 1915 CA GLU B 49 -7.358 7.320 1.446 1.00 0.00 C ATOM 1916 C GLU B 49 -8.610 7.128 2.295 1.00 0.00 C ATOM 1917 O GLU B 49 -9.086 8.075 2.907 1.00 0.00 O ATOM 1918 CB GLU B 49 -7.730 7.405 -0.027 1.00 0.00 C ATOM 1919 CG GLU B 49 -6.709 8.157 -0.853 1.00 0.00 C ATOM 1920 CD GLU B 49 -7.123 8.297 -2.298 1.00 0.00 C ATOM 1921 OE1 GLU B 49 -8.136 8.975 -2.571 1.00 0.00 O ATOM 1922 OE2 GLU B 49 -6.437 7.735 -3.173 1.00 0.00 O ATOM 0 H GLU B 49 -6.146 5.739 0.811 1.00 0.00 H new ATOM 0 HA GLU B 49 -6.895 8.255 1.761 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -7.841 6.397 -0.427 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -8.699 7.895 -0.124 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -6.558 9.148 -0.424 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -5.752 7.638 -0.801 1.00 0.00 H new ATOM 1929 N ALA B 50 -9.132 5.909 2.339 1.00 0.00 N ATOM 1930 CA ALA B 50 -10.360 5.630 3.083 1.00 0.00 C ATOM 1931 C ALA B 50 -10.195 5.937 4.572 1.00 0.00 C ATOM 1932 O ALA B 50 -11.059 6.571 5.174 1.00 0.00 O ATOM 1933 CB ALA B 50 -10.797 4.182 2.879 1.00 0.00 C ATOM 0 H ALA B 50 -8.728 5.098 1.871 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.138 6.286 2.693 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.712 3.996 3.441 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.979 4.003 1.819 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.012 3.512 3.231 1.00 0.00 H new ATOM 1939 N TYR B 51 -9.085 5.499 5.161 1.00 0.00 N ATOM 1940 CA TYR B 51 -8.809 5.794 6.561 1.00 0.00 C ATOM 1941 C TYR B 51 -8.580 7.288 6.752 1.00 0.00 C ATOM 1942 O TYR B 51 -9.015 7.876 7.745 1.00 0.00 O ATOM 1943 CB TYR B 51 -7.595 5.006 7.048 1.00 0.00 C ATOM 1944 CG TYR B 51 -7.834 3.516 7.153 1.00 0.00 C ATOM 1945 CD1 TYR B 51 -8.897 3.014 7.892 1.00 0.00 C ATOM 1946 CD2 TYR B 51 -6.990 2.613 6.524 1.00 0.00 C ATOM 1947 CE1 TYR B 51 -9.111 1.653 8.000 1.00 0.00 C ATOM 1948 CE2 TYR B 51 -7.200 1.251 6.625 1.00 0.00 C ATOM 1949 CZ TYR B 51 -8.259 0.776 7.364 1.00 0.00 C ATOM 1950 OH TYR B 51 -8.467 -0.580 7.471 1.00 0.00 O ATOM 0 H TYR B 51 -8.369 4.943 4.694 1.00 0.00 H new ATOM 0 HA TYR B 51 -9.674 5.494 7.152 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.762 5.184 6.368 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -7.295 5.386 8.025 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -9.567 3.698 8.391 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -6.155 2.980 5.946 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -9.942 1.279 8.580 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -6.535 0.562 6.126 1.00 0.00 H new ATOM 0 HH TYR B 51 -8.454 -0.984 6.578 1.00 0.00 H new ATOM 1960 N ARG B 52 -7.897 7.891 5.789 1.00 0.00 N ATOM 1961 CA ARG B 52 -7.678 9.331 5.769 1.00 0.00 C ATOM 1962 C ARG B 52 -9.013 10.078 5.765 1.00 0.00 C ATOM 1963 O ARG B 52 -9.258 10.940 6.608 1.00 0.00 O ATOM 1964 CB ARG B 52 -6.854 9.696 4.530 1.00 0.00 C ATOM 1965 CG ARG B 52 -6.776 11.182 4.237 1.00 0.00 C ATOM 1966 CD ARG B 52 -5.968 11.930 5.280 1.00 0.00 C ATOM 1967 NE ARG B 52 -5.844 13.337 4.927 1.00 0.00 N ATOM 1968 CZ ARG B 52 -4.684 13.975 4.804 1.00 0.00 C ATOM 1969 NH1 ARG B 52 -3.550 13.364 5.123 1.00 0.00 N ATOM 1970 NH2 ARG B 52 -4.661 15.237 4.393 1.00 0.00 N ATOM 0 H ARG B 52 -7.479 7.397 5.000 1.00 0.00 H new ATOM 0 HA ARG B 52 -7.133 9.626 6.666 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -5.842 9.311 4.657 1.00 0.00 H new ATOM 0 HB3 ARG B 52 -7.281 9.191 3.664 1.00 0.00 H new ATOM 0 HG2 ARG B 52 -6.328 11.334 3.255 1.00 0.00 H new ATOM 0 HG3 ARG B 52 -7.784 11.596 4.195 1.00 0.00 H new ATOM 0 HD2 ARG B 52 -6.448 11.836 6.254 1.00 0.00 H new ATOM 0 HD3 ARG B 52 -4.977 11.484 5.368 1.00 0.00 H new ATOM 0 HE ARG B 52 -6.700 13.866 4.764 1.00 0.00 H new ATOM 0 HH11 ARG B 52 -3.567 12.403 5.463 1.00 0.00 H new ATOM 0 HH12 ARG B 52 -2.661 13.856 5.028 1.00 0.00 H new ATOM 0 HH21 ARG B 52 -5.533 15.717 4.172 1.00 0.00 H new ATOM 0 HH22 ARG B 52 -3.771 15.726 4.299 1.00 0.00 H new ATOM 1984 N GLN B 53 -9.867 9.721 4.817 1.00 0.00 N ATOM 1985 CA GLN B 53 -11.185 10.327 4.676 1.00 0.00 C ATOM 1986 C GLN B 53 -12.041 10.079 5.914 1.00 0.00 C ATOM 1987 O GLN B 53 -12.791 10.957 6.342 1.00 0.00 O ATOM 1988 CB GLN B 53 -11.882 9.755 3.436 1.00 0.00 C ATOM 1989 CG GLN B 53 -11.195 10.111 2.128 1.00 0.00 C ATOM 1990 CD GLN B 53 -11.953 9.612 0.911 1.00 0.00 C ATOM 1991 OE1 GLN B 53 -12.676 8.617 0.974 1.00 0.00 O ATOM 1992 NE2 GLN B 53 -11.776 10.288 -0.212 1.00 0.00 N ATOM 0 H GLN B 53 -9.666 9.002 4.122 1.00 0.00 H new ATOM 0 HA GLN B 53 -11.059 11.404 4.563 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -11.931 8.670 3.526 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -12.909 10.119 3.407 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -11.085 11.194 2.063 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -10.190 9.688 2.123 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -11.169 11.108 -0.224 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -12.247 9.990 -1.066 1.00 0.00 H new ATOM 2001 N LEU B 54 -11.923 8.885 6.480 1.00 0.00 N ATOM 2002 CA LEU B 54 -12.664 8.526 7.683 1.00 0.00 C ATOM 2003 C LEU B 54 -12.262 9.427 8.849 1.00 0.00 C ATOM 2004 O LEU B 54 -13.117 10.008 9.522 1.00 0.00 O ATOM 2005 CB LEU B 54 -12.409 7.059 8.042 1.00 0.00 C ATOM 2006 CG LEU B 54 -13.244 6.511 9.202 1.00 0.00 C ATOM 2007 CD1 LEU B 54 -14.722 6.524 8.850 1.00 0.00 C ATOM 2008 CD2 LEU B 54 -12.792 5.106 9.562 1.00 0.00 C ATOM 0 H LEU B 54 -11.318 8.145 6.123 1.00 0.00 H new ATOM 0 HA LEU B 54 -13.727 8.664 7.487 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -12.600 6.448 7.159 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -11.354 6.941 8.289 1.00 0.00 H new ATOM 0 HG LEU B 54 -13.095 7.154 10.069 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -15.299 6.131 9.687 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -15.037 7.546 8.640 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -14.892 5.904 7.970 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -13.395 4.730 10.388 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -12.913 4.452 8.698 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -11.743 5.126 9.858 1.00 0.00 H new ATOM 2020 N ASP B 55 -10.957 9.553 9.068 1.00 0.00 N ATOM 2021 CA ASP B 55 -10.434 10.381 10.151 1.00 0.00 C ATOM 2022 C ASP B 55 -10.780 11.846 9.920 1.00 0.00 C ATOM 2023 O ASP B 55 -11.201 12.546 10.844 1.00 0.00 O ATOM 2024 CB ASP B 55 -8.916 10.210 10.272 1.00 0.00 C ATOM 2025 CG ASP B 55 -8.308 11.101 11.340 1.00 0.00 C ATOM 2026 OD1 ASP B 55 -8.526 10.833 12.539 1.00 0.00 O ATOM 2027 OD2 ASP B 55 -7.609 12.073 10.985 1.00 0.00 O ATOM 0 H ASP B 55 -10.240 9.091 8.509 1.00 0.00 H new ATOM 0 HA ASP B 55 -10.898 10.057 11.083 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -8.689 9.169 10.501 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -8.452 10.433 9.311 1.00 0.00 H new ATOM 2032 N GLU B 56 -10.621 12.293 8.682 1.00 0.00 N ATOM 2033 CA GLU B 56 -10.940 13.665 8.309 1.00 0.00 C ATOM 2034 C GLU B 56 -12.420 13.973 8.506 1.00 0.00 C ATOM 2035 O GLU B 56 -12.778 15.041 9.015 1.00 0.00 O ATOM 2036 CB GLU B 56 -10.518 13.931 6.863 1.00 0.00 C ATOM 2037 CG GLU B 56 -9.050 14.303 6.733 1.00 0.00 C ATOM 2038 CD GLU B 56 -8.716 14.926 5.396 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -8.843 16.163 5.268 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -8.297 14.194 4.483 1.00 0.00 O ATOM 0 H GLU B 56 -10.270 11.721 7.914 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.381 14.330 8.967 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -10.717 13.043 6.263 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -11.129 14.736 6.454 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -8.785 14.999 7.529 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -8.440 13.410 6.875 1.00 0.00 H new ATOM 2047 N PHE B 57 -13.275 13.039 8.120 1.00 0.00 N ATOM 2048 CA PHE B 57 -14.708 13.196 8.317 1.00 0.00 C ATOM 2049 C PHE B 57 -15.025 13.264 9.804 1.00 0.00 C ATOM 2050 O PHE B 57 -15.802 14.110 10.246 1.00 0.00 O ATOM 2051 CB PHE B 57 -15.465 12.039 7.658 1.00 0.00 C ATOM 2052 CG PHE B 57 -16.964 12.133 7.789 1.00 0.00 C ATOM 2053 CD1 PHE B 57 -17.689 12.995 6.981 1.00 0.00 C ATOM 2054 CD2 PHE B 57 -17.644 11.361 8.720 1.00 0.00 C ATOM 2055 CE1 PHE B 57 -19.063 13.087 7.100 1.00 0.00 C ATOM 2056 CE2 PHE B 57 -19.020 11.451 8.843 1.00 0.00 C ATOM 2057 CZ PHE B 57 -19.730 12.316 8.032 1.00 0.00 C ATOM 0 H PHE B 57 -13.003 12.166 7.669 1.00 0.00 H new ATOM 0 HA PHE B 57 -15.029 14.127 7.849 1.00 0.00 H new ATOM 0 HB2 PHE B 57 -15.205 12.004 6.600 1.00 0.00 H new ATOM 0 HB3 PHE B 57 -15.130 11.101 8.100 1.00 0.00 H new ATOM 0 HD1 PHE B 57 -17.175 13.601 6.250 1.00 0.00 H new ATOM 0 HD2 PHE B 57 -17.094 10.683 9.355 1.00 0.00 H new ATOM 0 HE1 PHE B 57 -19.616 13.762 6.464 1.00 0.00 H new ATOM 0 HE2 PHE B 57 -19.538 10.846 9.572 1.00 0.00 H new ATOM 0 HZ PHE B 57 -20.803 12.389 8.127 1.00 0.00 H new ATOM 2067 N ARG B 58 -14.398 12.384 10.570 1.00 0.00 N ATOM 2068 CA ARG B 58 -14.595 12.334 12.007 1.00 0.00 C ATOM 2069 C ARG B 58 -14.165 13.637 12.667 1.00 0.00 C ATOM 2070 O ARG B 58 -14.904 14.210 13.464 1.00 0.00 O ATOM 2071 CB ARG B 58 -13.801 11.171 12.586 1.00 0.00 C ATOM 2072 CG ARG B 58 -14.488 9.819 12.463 1.00 0.00 C ATOM 2073 CD ARG B 58 -15.573 9.640 13.512 1.00 0.00 C ATOM 2074 NE ARG B 58 -16.764 10.455 13.250 1.00 0.00 N ATOM 2075 CZ ARG B 58 -17.374 11.198 14.178 1.00 0.00 C ATOM 2076 NH1 ARG B 58 -16.823 11.364 15.373 1.00 0.00 N ATOM 2077 NH2 ARG B 58 -18.525 11.801 13.904 1.00 0.00 N ATOM 0 H ARG B 58 -13.742 11.689 10.214 1.00 0.00 H new ATOM 0 HA ARG B 58 -15.657 12.191 12.206 1.00 0.00 H new ATOM 0 HB2 ARG B 58 -12.835 11.121 12.084 1.00 0.00 H new ATOM 0 HB3 ARG B 58 -13.603 11.370 13.639 1.00 0.00 H new ATOM 0 HG2 ARG B 58 -14.924 9.722 11.469 1.00 0.00 H new ATOM 0 HG3 ARG B 58 -13.749 9.025 12.566 1.00 0.00 H new ATOM 0 HD2 ARG B 58 -15.860 8.589 13.554 1.00 0.00 H new ATOM 0 HD3 ARG B 58 -15.170 9.899 14.491 1.00 0.00 H new ATOM 0 HE ARG B 58 -17.149 10.455 12.305 1.00 0.00 H new ATOM 0 HH11 ARG B 58 -15.929 10.923 15.588 1.00 0.00 H new ATOM 0 HH12 ARG B 58 -17.294 11.932 16.077 1.00 0.00 H new ATOM 0 HH21 ARG B 58 -18.948 11.698 12.981 1.00 0.00 H new ATOM 0 HH22 ARG B 58 -18.986 12.367 14.616 1.00 0.00 H new ATOM 2091 N LYS B 59 -12.976 14.106 12.302 1.00 0.00 N ATOM 2092 CA LYS B 59 -12.392 15.301 12.899 1.00 0.00 C ATOM 2093 C LYS B 59 -13.283 16.514 12.643 1.00 0.00 C ATOM 2094 O LYS B 59 -13.545 17.316 13.541 1.00 0.00 O ATOM 2095 CB LYS B 59 -10.997 15.537 12.309 1.00 0.00 C ATOM 2096 CG LYS B 59 -10.136 16.513 13.094 1.00 0.00 C ATOM 2097 CD LYS B 59 -9.820 15.976 14.479 1.00 0.00 C ATOM 2098 CE LYS B 59 -8.724 16.779 15.162 1.00 0.00 C ATOM 2099 NZ LYS B 59 -9.093 18.206 15.338 1.00 0.00 N ATOM 0 H LYS B 59 -12.393 13.670 11.587 1.00 0.00 H new ATOM 0 HA LYS B 59 -12.309 15.157 13.976 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -10.476 14.581 12.247 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -11.106 15.907 11.290 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -9.208 16.700 12.553 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -10.652 17.469 13.181 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -10.721 15.998 15.091 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -9.512 14.933 14.403 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -8.509 16.340 16.136 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -7.809 16.713 14.573 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -8.360 18.688 15.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -9.174 18.661 14.406 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -10.005 18.270 15.835 1.00 0.00 H new ATOM 2113 N SER B 60 -13.759 16.627 11.413 1.00 0.00 N ATOM 2114 CA SER B 60 -14.606 17.743 11.022 1.00 0.00 C ATOM 2115 C SER B 60 -15.973 17.664 11.699 1.00 0.00 C ATOM 2116 O SER B 60 -16.469 18.658 12.232 1.00 0.00 O ATOM 2117 CB SER B 60 -14.756 17.771 9.501 1.00 0.00 C ATOM 2118 OG SER B 60 -13.481 17.812 8.875 1.00 0.00 O ATOM 0 H SER B 60 -13.573 15.958 10.666 1.00 0.00 H new ATOM 0 HA SER B 60 -14.131 18.668 11.349 1.00 0.00 H new ATOM 0 HB2 SER B 60 -15.303 16.889 9.168 1.00 0.00 H new ATOM 0 HB3 SER B 60 -15.342 18.641 9.204 1.00 0.00 H new ATOM 0 HG SER B 60 -13.100 16.909 8.849 1.00 0.00 H new ATOM 2124 N THR B 61 -16.558 16.474 11.701 1.00 0.00 N ATOM 2125 CA THR B 61 -17.883 16.275 12.273 1.00 0.00 C ATOM 2126 C THR B 61 -17.875 16.514 13.781 1.00 0.00 C ATOM 2127 O THR B 61 -18.741 17.208 14.298 1.00 0.00 O ATOM 2128 CB THR B 61 -18.419 14.857 11.981 1.00 0.00 C ATOM 2129 OG1 THR B 61 -18.388 14.605 10.573 1.00 0.00 O ATOM 2130 CG2 THR B 61 -19.844 14.697 12.492 1.00 0.00 C ATOM 0 H THR B 61 -16.135 15.631 11.313 1.00 0.00 H new ATOM 0 HA THR B 61 -18.543 17.003 11.801 1.00 0.00 H new ATOM 0 HB THR B 61 -17.781 14.140 12.498 1.00 0.00 H new ATOM 0 HG1 THR B 61 -17.458 14.593 10.263 1.00 0.00 H new ATOM 0 HG21 THR B 61 -20.198 13.689 12.274 1.00 0.00 H new ATOM 0 HG22 THR B 61 -19.865 14.864 13.569 1.00 0.00 H new ATOM 0 HG23 THR B 61 -20.491 15.423 12.000 1.00 0.00 H new ATOM 2138 N ALA B 62 -16.880 15.962 14.472 1.00 0.00 N ATOM 2139 CA ALA B 62 -16.783 16.101 15.923 1.00 0.00 C ATOM 2140 C ALA B 62 -16.707 17.573 16.324 1.00 0.00 C ATOM 2141 O ALA B 62 -17.270 17.980 17.338 1.00 0.00 O ATOM 2142 CB ALA B 62 -15.574 15.338 16.448 1.00 0.00 C ATOM 0 H ALA B 62 -16.130 15.414 14.050 1.00 0.00 H new ATOM 0 HA ALA B 62 -17.682 15.676 16.369 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -15.515 15.451 17.531 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -15.674 14.282 16.198 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -14.667 15.735 15.992 1.00 0.00 H new ATOM 2148 N SER B 63 -16.024 18.367 15.507 1.00 0.00 N ATOM 2149 CA SER B 63 -15.901 19.797 15.758 1.00 0.00 C ATOM 2150 C SER B 63 -17.265 20.485 15.665 1.00 0.00 C ATOM 2151 O SER B 63 -17.622 21.300 16.516 1.00 0.00 O ATOM 2152 CB SER B 63 -14.929 20.420 14.754 1.00 0.00 C ATOM 2153 OG SER B 63 -13.689 19.733 14.760 1.00 0.00 O ATOM 0 H SER B 63 -15.547 18.044 14.665 1.00 0.00 H new ATOM 0 HA SER B 63 -15.515 19.939 16.767 1.00 0.00 H new ATOM 0 HB2 SER B 63 -15.362 20.389 13.754 1.00 0.00 H new ATOM 0 HB3 SER B 63 -14.769 21.470 14.999 1.00 0.00 H new ATOM 0 HG SER B 63 -13.804 18.846 14.359 1.00 0.00 H new ATOM 2159 N LEU B 64 -18.028 20.136 14.635 1.00 0.00 N ATOM 2160 CA LEU B 64 -19.339 20.736 14.409 1.00 0.00 C ATOM 2161 C LEU B 64 -20.386 20.154 15.355 1.00 0.00 C ATOM 2162 O LEU B 64 -21.338 20.834 15.741 1.00 0.00 O ATOM 2163 CB LEU B 64 -19.774 20.544 12.950 1.00 0.00 C ATOM 2164 CG LEU B 64 -19.298 21.625 11.969 1.00 0.00 C ATOM 2165 CD1 LEU B 64 -19.792 22.999 12.402 1.00 0.00 C ATOM 2166 CD2 LEU B 64 -17.780 21.623 11.842 1.00 0.00 C ATOM 0 H LEU B 64 -17.760 19.438 13.941 1.00 0.00 H new ATOM 0 HA LEU B 64 -19.256 21.803 14.614 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -19.407 19.578 12.604 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -20.863 20.502 12.917 1.00 0.00 H new ATOM 0 HG LEU B 64 -19.720 21.396 10.990 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -19.444 23.751 11.694 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -20.882 23.002 12.428 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -19.405 23.229 13.395 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -17.473 22.399 11.141 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -17.333 21.817 12.817 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -17.447 20.651 11.477 1.00 0.00 H new ATOM 2178 N GLU B 65 -20.192 18.904 15.742 1.00 0.00 N ATOM 2179 CA GLU B 65 -21.120 18.217 16.629 1.00 0.00 C ATOM 2180 C GLU B 65 -20.980 18.747 18.046 1.00 0.00 C ATOM 2181 O GLU B 65 -21.861 18.583 18.883 1.00 0.00 O ATOM 2182 CB GLU B 65 -20.834 16.716 16.611 1.00 0.00 C ATOM 2183 CG GLU B 65 -21.915 15.870 17.262 1.00 0.00 C ATOM 2184 CD GLU B 65 -21.458 14.454 17.537 1.00 0.00 C ATOM 2185 OE1 GLU B 65 -21.258 13.687 16.574 1.00 0.00 O ATOM 2186 OE2 GLU B 65 -21.280 14.106 18.725 1.00 0.00 O ATOM 0 H GLU B 65 -19.393 18.339 15.453 1.00 0.00 H new ATOM 0 HA GLU B 65 -22.138 18.396 16.283 1.00 0.00 H new ATOM 0 HB2 GLU B 65 -20.709 16.393 15.577 1.00 0.00 H new ATOM 0 HB3 GLU B 65 -19.888 16.531 17.120 1.00 0.00 H new ATOM 0 HG2 GLU B 65 -22.223 16.337 18.198 1.00 0.00 H new ATOM 0 HG3 GLU B 65 -22.792 15.846 16.615 1.00 0.00 H new ATOM 2193 N HIS B 66 -19.869 19.415 18.283 1.00 0.00 N ATOM 2194 CA HIS B 66 -19.566 19.973 19.594 1.00 0.00 C ATOM 2195 C HIS B 66 -20.292 21.299 19.797 1.00 0.00 C ATOM 2196 O HIS B 66 -20.383 21.800 20.919 1.00 0.00 O ATOM 2197 CB HIS B 66 -18.053 20.162 19.751 1.00 0.00 C ATOM 2198 CG HIS B 66 -17.640 20.641 21.110 1.00 0.00 C ATOM 2199 ND1 HIS B 66 -17.199 21.921 21.352 1.00 0.00 N ATOM 2200 CD2 HIS B 66 -17.601 20.002 22.301 1.00 0.00 C ATOM 2201 CE1 HIS B 66 -16.905 22.051 22.630 1.00 0.00 C ATOM 2202 NE2 HIS B 66 -17.142 20.901 23.227 1.00 0.00 N ATOM 0 H HIS B 66 -19.151 19.588 17.579 1.00 0.00 H new ATOM 0 HA HIS B 66 -19.913 19.275 20.355 1.00 0.00 H new ATOM 0 HB2 HIS B 66 -17.555 19.215 19.543 1.00 0.00 H new ATOM 0 HB3 HIS B 66 -17.706 20.876 19.004 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -17.880 18.975 22.487 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -16.534 22.946 23.106 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -17.006 20.710 24.220 1.00 0.00 H new ATOM 2211 N HIS B 67 -20.814 21.853 18.706 1.00 0.00 N ATOM 2212 CA HIS B 67 -21.519 23.128 18.753 1.00 0.00 C ATOM 2213 C HIS B 67 -22.680 23.061 19.741 1.00 0.00 C ATOM 2214 O HIS B 67 -22.644 23.710 20.789 1.00 0.00 O ATOM 2215 CB HIS B 67 -22.025 23.513 17.355 1.00 0.00 C ATOM 2216 CG HIS B 67 -22.739 24.832 17.300 1.00 0.00 C ATOM 2217 ND1 HIS B 67 -24.111 24.947 17.207 1.00 0.00 N ATOM 2218 CD2 HIS B 67 -22.263 26.100 17.320 1.00 0.00 C ATOM 2219 CE1 HIS B 67 -24.445 26.221 17.173 1.00 0.00 C ATOM 2220 NE2 HIS B 67 -23.344 26.942 17.238 1.00 0.00 N ATOM 0 H HIS B 67 -20.761 21.436 17.776 1.00 0.00 H new ATOM 0 HA HIS B 67 -20.822 23.895 19.092 1.00 0.00 H new ATOM 0 HB2 HIS B 67 -21.178 23.542 16.670 1.00 0.00 H new ATOM 0 HB3 HIS B 67 -22.698 22.733 16.997 1.00 0.00 H new ATOM 0 HD2 HIS B 67 -21.226 26.394 17.388 1.00 0.00 H new ATOM 0 HE1 HIS B 67 -25.451 26.609 17.104 1.00 0.00 H new ATOM 0 HE2 HIS B 67 -23.302 27.961 17.229 1.00 0.00 H new ATOM 2229 N HIS B 68 -23.695 22.259 19.405 1.00 0.00 N ATOM 2230 CA HIS B 68 -24.869 22.063 20.264 1.00 0.00 C ATOM 2231 C HIS B 68 -25.572 23.387 20.574 1.00 0.00 C ATOM 2232 O HIS B 68 -25.261 24.435 20.000 1.00 0.00 O ATOM 2233 CB HIS B 68 -24.482 21.402 21.596 1.00 0.00 C ATOM 2234 CG HIS B 68 -23.937 20.009 21.483 1.00 0.00 C ATOM 2235 ND1 HIS B 68 -22.788 19.603 22.127 1.00 0.00 N ATOM 2236 CD2 HIS B 68 -24.411 18.915 20.840 1.00 0.00 C ATOM 2237 CE1 HIS B 68 -22.579 18.323 21.888 1.00 0.00 C ATOM 2238 NE2 HIS B 68 -23.547 17.879 21.109 1.00 0.00 N ATOM 0 H HIS B 68 -23.727 21.729 18.534 1.00 0.00 H new ATOM 0 HA HIS B 68 -25.547 21.413 19.710 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -23.738 22.027 22.091 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -25.360 21.380 22.241 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -25.301 18.865 20.230 1.00 0.00 H new ATOM 0 HE1 HIS B 68 -21.754 17.737 22.266 1.00 0.00 H new ATOM 0 HE2 HIS B 68 -23.639 16.924 20.763 1.00 0.00 H new ATOM 2247 N HIS B 69 -26.548 23.312 21.463 1.00 0.00 N ATOM 2248 CA HIS B 69 -27.107 24.496 22.095 1.00 0.00 C ATOM 2249 C HIS B 69 -26.463 24.670 23.465 1.00 0.00 C ATOM 2250 O HIS B 69 -26.241 23.690 24.174 1.00 0.00 O ATOM 2251 CB HIS B 69 -28.631 24.391 22.231 1.00 0.00 C ATOM 2252 CG HIS B 69 -29.366 24.583 20.943 1.00 0.00 C ATOM 2253 ND1 HIS B 69 -30.546 23.940 20.643 1.00 0.00 N ATOM 2254 CD2 HIS B 69 -29.093 25.376 19.880 1.00 0.00 C ATOM 2255 CE1 HIS B 69 -30.966 24.326 19.453 1.00 0.00 C ATOM 2256 NE2 HIS B 69 -30.105 25.201 18.967 1.00 0.00 N ATOM 0 H HIS B 69 -26.973 22.436 21.766 1.00 0.00 H new ATOM 0 HA HIS B 69 -26.896 25.364 21.470 1.00 0.00 H new ATOM 0 HB2 HIS B 69 -28.883 23.413 22.640 1.00 0.00 H new ATOM 0 HB3 HIS B 69 -28.975 25.135 22.949 1.00 0.00 H new ATOM 0 HD2 HIS B 69 -28.238 26.026 19.770 1.00 0.00 H new ATOM 0 HE1 HIS B 69 -31.864 23.984 18.959 1.00 0.00 H new ATOM 0 HE2 HIS B 69 -30.179 25.669 18.064 1.00 0.00 H new ATOM 2265 N HIS B 70 -26.157 25.902 23.837 1.00 0.00 N ATOM 2266 CA HIS B 70 -25.434 26.159 25.072 1.00 0.00 C ATOM 2267 C HIS B 70 -25.562 27.627 25.450 1.00 0.00 C ATOM 2268 O HIS B 70 -25.433 28.501 24.599 1.00 0.00 O ATOM 2269 CB HIS B 70 -23.956 25.782 24.899 1.00 0.00 C ATOM 2270 CG HIS B 70 -23.209 25.622 26.185 1.00 0.00 C ATOM 2271 ND1 HIS B 70 -22.470 26.628 26.761 1.00 0.00 N ATOM 2272 CD2 HIS B 70 -23.078 24.549 27.001 1.00 0.00 C ATOM 2273 CE1 HIS B 70 -21.915 26.183 27.871 1.00 0.00 C ATOM 2274 NE2 HIS B 70 -22.267 24.923 28.043 1.00 0.00 N ATOM 0 H HIS B 70 -26.397 26.738 23.304 1.00 0.00 H new ATOM 0 HA HIS B 70 -25.861 25.552 25.870 1.00 0.00 H new ATOM 0 HB2 HIS B 70 -23.894 24.850 24.337 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -23.465 26.549 24.300 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -23.529 23.578 26.858 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -21.278 26.755 28.530 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -21.984 24.327 28.820 1.00 0.00 H new ATOM 2283 N HIS B 71 -25.837 27.895 26.714 1.00 0.00 N ATOM 2284 CA HIS B 71 -25.962 29.267 27.188 1.00 0.00 C ATOM 2285 C HIS B 71 -24.818 29.586 28.138 1.00 0.00 C ATOM 2286 O HIS B 71 -25.005 29.451 29.364 1.00 0.00 O ATOM 2287 CB HIS B 71 -27.312 29.486 27.889 1.00 0.00 C ATOM 2288 CG HIS B 71 -28.497 29.487 26.968 1.00 0.00 C ATOM 2289 ND1 HIS B 71 -29.527 30.400 27.063 1.00 0.00 N ATOM 2290 CD2 HIS B 71 -28.822 28.669 25.941 1.00 0.00 C ATOM 2291 CE1 HIS B 71 -30.425 30.144 26.132 1.00 0.00 C ATOM 2292 NE2 HIS B 71 -30.022 29.101 25.438 1.00 0.00 N ATOM 2293 OXT HIS B 71 -23.721 29.927 27.651 1.00 0.00 O ATOM 0 H HIS B 71 -25.978 27.184 27.432 1.00 0.00 H new ATOM 0 HA HIS B 71 -25.916 29.937 26.329 1.00 0.00 H new ATOM 0 HB2 HIS B 71 -27.450 28.705 28.637 1.00 0.00 H new ATOM 0 HB3 HIS B 71 -27.281 30.436 28.422 1.00 0.00 H new ATOM 0 HD2 HIS B 71 -28.243 27.830 25.583 1.00 0.00 H new ATOM 0 HE1 HIS B 71 -31.338 30.697 25.967 1.00 0.00 H new ATOM 0 HE2 HIS B 71 -30.521 28.682 24.653 1.00 0.00 H new TER 2302 HIS B 71