USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 588 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 31 ASN : amide:sc= 0.086 K(o=0.19,f=-0.44) USER MOD Set 1.2: A 76 SER OG : rot -45:sc= 0.105 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0933 X(o=-0.093,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -6.02! C(o=-6!,f=-4.9!) USER MOD Single : A 23 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.57) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.282 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -4.54! C(o=-4.5!,f=-7.3!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.68) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -17.935 -6.206 -6.332 1.00 6.51 N ATOM 2 CA ILE A 6 -18.658 -5.016 -5.899 1.00 5.95 C ATOM 3 C ILE A 6 -18.913 -5.060 -4.396 1.00 5.14 C ATOM 4 O ILE A 6 -19.078 -4.021 -3.756 1.00 5.46 O ATOM 5 CB ILE A 6 -19.982 -4.910 -6.648 1.00 6.67 C ATOM 6 CG1 ILE A 6 -20.648 -3.565 -6.368 1.00 7.44 C ATOM 7 CG2 ILE A 6 -20.915 -6.057 -6.275 1.00 6.84 C ATOM 8 CD1 ILE A 6 -20.090 -2.466 -7.268 1.00 8.10 C ATOM 0 HA ILE A 6 -18.049 -4.140 -6.122 1.00 5.95 H new ATOM 0 HB ILE A 6 -19.773 -4.979 -7.716 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -21.724 -3.651 -6.522 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -20.496 -3.293 -5.323 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -21.852 -5.957 -6.823 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -20.445 -7.006 -6.530 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -21.117 -6.029 -5.204 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -20.587 -1.523 -7.041 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -19.019 -2.363 -7.095 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -20.265 -2.727 -8.312 1.00 8.10 H new ATOM 20 N ASN A 7 -18.942 -6.267 -3.837 1.00 4.48 N ATOM 21 CA ASN A 7 -19.176 -6.444 -2.408 1.00 4.06 C ATOM 22 C ASN A 7 -18.243 -5.554 -1.598 1.00 3.11 C ATOM 23 O ASN A 7 -17.381 -4.872 -2.155 1.00 3.46 O ATOM 24 CB ASN A 7 -18.960 -7.904 -2.022 1.00 4.82 C ATOM 25 CG ASN A 7 -20.274 -8.670 -2.097 1.00 5.60 C ATOM 26 OD1 ASN A 7 -21.086 -8.623 -1.173 1.00 5.87 O ATOM 27 ND2 ASN A 7 -20.483 -9.379 -3.199 1.00 6.34 N ATOM 0 H ASN A 7 -18.806 -7.137 -4.353 1.00 4.48 H new ATOM 0 HA ASN A 7 -20.206 -6.161 -2.189 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -18.227 -8.359 -2.689 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -18.553 -7.964 -1.013 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -21.345 -9.914 -3.305 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -19.782 -9.389 -3.940 1.00 6.34 H new ATOM 34 N ARG A 8 -18.418 -5.564 -0.282 1.00 2.49 N ATOM 35 CA ARG A 8 -17.591 -4.756 0.607 1.00 2.11 C ATOM 36 C ARG A 8 -16.386 -5.554 1.085 1.00 1.69 C ATOM 37 O ARG A 8 -16.323 -6.771 0.908 1.00 2.38 O ATOM 38 CB ARG A 8 -18.412 -4.290 1.805 1.00 2.95 C ATOM 39 CG ARG A 8 -19.732 -3.661 1.372 1.00 3.61 C ATOM 40 CD ARG A 8 -19.824 -2.199 1.797 1.00 4.57 C ATOM 41 NE ARG A 8 -20.544 -1.424 0.794 1.00 5.39 N ATOM 42 CZ ARG A 8 -21.867 -1.309 0.817 1.00 6.19 C ATOM 43 NH1 ARG A 8 -22.632 -2.376 0.630 1.00 6.68 N ATOM 44 NH2 ARG A 8 -22.428 -0.126 1.029 1.00 6.74 N ATOM 0 H ARG A 8 -19.126 -6.123 0.194 1.00 2.49 H new ATOM 0 HA ARG A 8 -17.237 -3.885 0.055 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -18.610 -5.137 2.462 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -17.836 -3.567 2.382 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -19.832 -3.733 0.289 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -20.561 -4.219 1.806 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -20.333 -2.124 2.758 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -18.823 -1.789 1.933 1.00 4.57 H new ATOM 0 HE ARG A 8 -20.018 -0.958 0.055 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -22.205 -3.288 0.468 1.00 6.68 H new ATOM 0 HH12 ARG A 8 -23.648 -2.285 0.648 1.00 6.68 H new ATOM 0 HH21 ARG A 8 -21.843 0.697 1.175 1.00 6.74 H new ATOM 0 HH22 ARG A 8 -23.444 -0.039 1.046 1.00 6.74 H new ATOM 58 N MET A 9 -15.431 -4.860 1.692 1.00 1.18 N ATOM 59 CA MET A 9 -14.223 -5.499 2.200 1.00 0.82 C ATOM 60 C MET A 9 -13.433 -6.127 1.060 1.00 0.72 C ATOM 61 O MET A 9 -13.839 -7.145 0.500 1.00 0.97 O ATOM 62 CB MET A 9 -14.590 -6.566 3.227 1.00 1.08 C ATOM 63 CG MET A 9 -14.489 -6.032 4.653 1.00 1.61 C ATOM 64 SD MET A 9 -16.100 -5.664 5.370 1.00 2.27 S ATOM 65 CE MET A 9 -15.660 -5.445 7.102 1.00 2.82 C ATOM 0 H MET A 9 -15.470 -3.852 1.845 1.00 1.18 H new ATOM 0 HA MET A 9 -13.603 -4.740 2.678 1.00 0.82 H new ATOM 0 HB2 MET A 9 -15.605 -6.917 3.041 1.00 1.08 H new ATOM 0 HB3 MET A 9 -13.929 -7.425 3.112 1.00 1.08 H new ATOM 0 HG2 MET A 9 -13.977 -6.765 5.276 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.879 -5.129 4.657 1.00 1.61 H new ATOM 0 HE1 MET A 9 -16.555 -5.211 7.678 1.00 2.82 H new ATOM 0 HE2 MET A 9 -15.213 -6.363 7.483 1.00 2.82 H new ATOM 0 HE3 MET A 9 -14.945 -4.628 7.195 1.00 2.82 H new ATOM 75 N ASP A 10 -12.303 -5.516 0.718 1.00 0.49 N ATOM 76 CA ASP A 10 -11.459 -6.020 -0.360 1.00 0.42 C ATOM 77 C ASP A 10 -9.987 -5.837 -0.017 1.00 0.38 C ATOM 78 O ASP A 10 -9.607 -4.868 0.641 1.00 0.54 O ATOM 79 CB ASP A 10 -11.780 -5.291 -1.661 1.00 0.44 C ATOM 80 CG ASP A 10 -13.284 -5.284 -1.906 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.983 -4.447 -1.297 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.759 -6.115 -2.708 1.00 1.53 O ATOM 0 H ASP A 10 -11.951 -4.673 1.171 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.660 -7.084 -0.486 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.408 -4.268 -1.614 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.271 -5.777 -2.493 1.00 0.44 H new ATOM 87 N TYR A 11 -9.159 -6.775 -0.468 1.00 0.40 N ATOM 88 CA TYR A 11 -7.725 -6.718 -0.209 1.00 0.37 C ATOM 89 C TYR A 11 -6.938 -6.990 -1.485 1.00 0.34 C ATOM 90 O TYR A 11 -7.464 -7.548 -2.447 1.00 0.38 O ATOM 91 CB TYR A 11 -7.345 -7.735 0.863 1.00 0.42 C ATOM 92 CG TYR A 11 -7.684 -9.154 0.482 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.837 -9.874 -0.343 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.844 -9.742 0.954 1.00 0.54 C ATOM 95 CE1 TYR A 11 -7.150 -11.176 -0.695 1.00 0.67 C ATOM 96 CE2 TYR A 11 -9.157 -11.044 0.603 1.00 0.63 C ATOM 97 CZ TYR A 11 -8.300 -11.758 -0.213 1.00 0.67 C ATOM 98 OH TYR A 11 -8.619 -13.048 -0.569 1.00 0.78 O ATOM 0 H TYR A 11 -9.457 -7.583 -1.014 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.478 -5.717 0.145 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.275 -7.664 1.059 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.857 -7.483 1.792 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.930 -9.419 -0.713 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.507 -9.184 1.598 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -6.493 -11.733 -1.346 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -10.067 -11.500 0.965 1.00 0.63 H new ATOM 0 HH TYR A 11 -9.462 -13.306 -0.141 1.00 0.78 H new ATOM 108 N VAL A 12 -5.672 -6.588 -1.482 1.00 0.34 N ATOM 109 CA VAL A 12 -4.797 -6.778 -2.632 1.00 0.34 C ATOM 110 C VAL A 12 -3.358 -6.446 -2.259 1.00 0.35 C ATOM 111 O VAL A 12 -3.105 -5.806 -1.238 1.00 0.51 O ATOM 112 CB VAL A 12 -5.252 -5.887 -3.785 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.129 -4.414 -3.409 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.452 -6.192 -5.048 1.00 0.81 C ATOM 0 H VAL A 12 -5.227 -6.125 -0.690 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.849 -7.821 -2.944 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.302 -6.099 -3.987 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.458 -3.796 -4.245 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.751 -4.208 -2.538 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.090 -4.184 -3.175 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.791 -5.547 -5.858 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.393 -6.013 -4.860 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.599 -7.235 -5.329 1.00 0.81 H new ATOM 124 N GLU A 13 -2.417 -6.886 -3.087 1.00 0.49 N ATOM 125 CA GLU A 13 -1.002 -6.635 -2.837 1.00 0.54 C ATOM 126 C GLU A 13 -0.281 -6.289 -4.134 1.00 0.50 C ATOM 127 O GLU A 13 -0.564 -6.867 -5.184 1.00 0.60 O ATOM 128 CB GLU A 13 -0.357 -7.863 -2.198 1.00 0.67 C ATOM 129 CG GLU A 13 -1.262 -8.489 -1.139 1.00 1.05 C ATOM 130 CD GLU A 13 -0.584 -9.701 -0.514 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.303 -10.290 -1.168 1.00 1.97 O ATOM 132 OE2 GLU A 13 -0.941 -10.060 0.627 1.00 2.05 O ATOM 0 H GLU A 13 -2.608 -7.418 -3.936 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.918 -5.789 -2.155 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.135 -8.601 -2.969 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.593 -7.581 -1.744 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.492 -7.754 -0.367 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.209 -8.786 -1.590 1.00 1.05 H new ATOM 139 N ILE A 14 0.654 -5.349 -4.055 1.00 0.48 N ATOM 140 CA ILE A 14 1.419 -4.928 -5.223 1.00 0.49 C ATOM 141 C ILE A 14 2.853 -5.434 -5.128 1.00 0.48 C ATOM 142 O ILE A 14 3.491 -5.329 -4.082 1.00 0.43 O ATOM 143 CB ILE A 14 1.410 -3.407 -5.341 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.888 -2.760 -4.043 1.00 0.51 C ATOM 145 CG2 ILE A 14 0.022 -2.896 -5.713 1.00 0.64 C ATOM 146 CD1 ILE A 14 2.379 -1.333 -4.279 1.00 0.63 C ATOM 0 H ILE A 14 0.901 -4.863 -3.193 1.00 0.48 H new ATOM 0 HA ILE A 14 0.954 -5.354 -6.112 1.00 0.49 H new ATOM 0 HB ILE A 14 2.100 -3.129 -6.138 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.074 -2.751 -3.318 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.692 -3.356 -3.612 1.00 0.51 H new ATOM 0 HG21 ILE A 14 0.043 -1.809 -5.791 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.278 -3.322 -6.670 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.692 -3.191 -4.944 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.712 -0.902 -3.335 1.00 0.63 H new ATOM 0 HD12 ILE A 14 3.210 -1.346 -4.985 1.00 0.63 H new ATOM 0 HD13 ILE A 14 1.566 -0.731 -4.686 1.00 0.63 H new ATOM 158 N ASN A 15 3.354 -5.985 -6.229 1.00 0.59 N ATOM 159 CA ASN A 15 4.714 -6.509 -6.269 1.00 0.62 C ATOM 160 C ASN A 15 5.723 -5.373 -6.159 1.00 0.60 C ATOM 161 O ASN A 15 5.701 -4.432 -6.950 1.00 0.78 O ATOM 162 CB ASN A 15 4.934 -7.280 -7.567 1.00 0.79 C ATOM 163 CG ASN A 15 5.540 -8.646 -7.275 1.00 1.31 C ATOM 164 OD1 ASN A 15 5.035 -9.671 -7.734 1.00 2.20 O ATOM 165 ND2 ASN A 15 6.625 -8.661 -6.509 1.00 1.54 N ATOM 0 H ASN A 15 2.839 -6.080 -7.104 1.00 0.59 H new ATOM 0 HA ASN A 15 4.856 -7.183 -5.424 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.986 -7.400 -8.092 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.594 -6.715 -8.226 1.00 0.79 H new ATOM 0 HD21 ASN A 15 7.075 -9.547 -6.279 1.00 1.54 H new ATOM 0 HD22 ASN A 15 7.009 -7.786 -6.151 1.00 1.54 H new ATOM 172 N ILE A 16 6.605 -5.466 -5.169 1.00 0.49 N ATOM 173 CA ILE A 16 7.622 -4.444 -4.950 1.00 0.49 C ATOM 174 C ILE A 16 8.976 -5.083 -4.667 1.00 0.56 C ATOM 175 O ILE A 16 9.057 -6.262 -4.320 1.00 0.66 O ATOM 176 CB ILE A 16 7.217 -3.552 -3.782 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.853 -2.915 -4.041 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.269 -2.479 -3.528 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.859 -2.073 -5.313 1.00 0.84 C ATOM 0 H ILE A 16 6.636 -6.240 -4.505 1.00 0.49 H new ATOM 0 HA ILE A 16 7.706 -3.841 -5.854 1.00 0.49 H new ATOM 0 HB ILE A 16 7.144 -4.174 -2.890 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.096 -3.695 -4.124 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.575 -2.291 -3.192 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.958 -1.855 -2.690 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.222 -2.952 -3.293 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.381 -1.861 -4.419 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.872 -1.636 -5.465 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.598 -1.277 -5.219 1.00 0.84 H new ATOM 0 HD13 ILE A 16 6.111 -2.704 -6.166 1.00 0.84 H new ATOM 191 N ASP A 17 10.038 -4.298 -4.818 1.00 0.63 N ATOM 192 CA ASP A 17 11.391 -4.783 -4.578 1.00 0.75 C ATOM 193 C ASP A 17 11.829 -4.468 -3.153 1.00 1.00 C ATOM 194 O ASP A 17 12.025 -5.373 -2.341 1.00 1.75 O ATOM 195 CB ASP A 17 12.355 -4.144 -5.574 1.00 1.27 C ATOM 196 CG ASP A 17 11.884 -4.394 -7.000 1.00 1.63 C ATOM 197 OD1 ASP A 17 10.847 -3.820 -7.394 1.00 2.21 O ATOM 198 OD2 ASP A 17 12.552 -5.164 -7.721 1.00 2.16 O ATOM 0 H ASP A 17 9.986 -3.321 -5.106 1.00 0.63 H new ATOM 0 HA ASP A 17 11.402 -5.865 -4.711 1.00 0.75 H new ATOM 0 HB2 ASP A 17 12.422 -3.072 -5.389 1.00 1.27 H new ATOM 0 HB3 ASP A 17 13.355 -4.555 -5.437 1.00 1.27 H new ATOM 203 N HIS A 18 11.980 -3.181 -2.852 1.00 1.27 N ATOM 204 CA HIS A 18 12.395 -2.751 -1.521 1.00 1.85 C ATOM 205 C HIS A 18 12.629 -1.244 -1.489 1.00 1.32 C ATOM 206 O HIS A 18 12.271 -0.572 -0.522 1.00 2.00 O ATOM 207 CB HIS A 18 13.669 -3.480 -1.112 1.00 2.83 C ATOM 208 CG HIS A 18 14.680 -3.549 -2.214 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.917 -4.682 -2.948 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.530 -2.620 -2.723 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.848 -4.474 -3.850 1.00 4.73 C ATOM 212 NE2 HIS A 18 16.249 -3.218 -3.742 1.00 4.84 N ATOM 0 H HIS A 18 11.821 -2.419 -3.511 1.00 1.27 H new ATOM 0 HA HIS A 18 11.599 -2.994 -0.817 1.00 1.85 H new ATOM 0 HB2 HIS A 18 14.110 -2.976 -0.252 1.00 2.83 H new ATOM 0 HB3 HIS A 18 13.417 -4.491 -0.793 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.627 -1.597 -2.391 1.00 4.16 H new ATOM 0 HE1 HIS A 18 16.221 -5.201 -4.556 1.00 4.73 H new ATOM 0 HE2 HIS A 18 16.965 -2.768 -4.312 1.00 4.84 H new ATOM 220 N LYS A 19 13.239 -0.722 -2.549 1.00 0.82 N ATOM 221 CA LYS A 19 13.527 0.706 -2.639 1.00 0.84 C ATOM 222 C LYS A 19 12.245 1.525 -2.563 1.00 0.77 C ATOM 223 O LYS A 19 12.265 2.687 -2.159 1.00 1.13 O ATOM 224 CB LYS A 19 14.259 1.009 -3.943 1.00 1.47 C ATOM 225 CG LYS A 19 13.471 0.527 -5.157 1.00 1.97 C ATOM 226 CD LYS A 19 14.004 1.140 -6.449 1.00 2.72 C ATOM 227 CE LYS A 19 13.273 0.596 -7.674 1.00 3.37 C ATOM 228 NZ LYS A 19 14.037 0.864 -8.924 1.00 4.03 N ATOM 0 H LYS A 19 13.543 -1.266 -3.357 1.00 0.82 H new ATOM 0 HA LYS A 19 14.161 0.981 -1.796 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.431 2.082 -4.023 1.00 1.47 H new ATOM 0 HB3 LYS A 19 15.238 0.530 -3.931 1.00 1.47 H new ATOM 0 HG2 LYS A 19 13.525 -0.560 -5.219 1.00 1.97 H new ATOM 0 HG3 LYS A 19 12.419 0.787 -5.036 1.00 1.97 H new ATOM 0 HD2 LYS A 19 13.894 2.224 -6.411 1.00 2.72 H new ATOM 0 HD3 LYS A 19 15.070 0.931 -6.539 1.00 2.72 H new ATOM 0 HE2 LYS A 19 13.120 -0.477 -7.562 1.00 3.37 H new ATOM 0 HE3 LYS A 19 12.286 1.053 -7.744 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 13.515 0.483 -9.739 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 14.161 1.890 -9.042 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 14.969 0.407 -8.866 1.00 4.03 H new ATOM 242 N PHE A 20 11.130 0.915 -2.956 1.00 0.63 N ATOM 243 CA PHE A 20 9.839 1.595 -2.933 1.00 0.61 C ATOM 244 C PHE A 20 9.440 1.948 -1.507 1.00 0.62 C ATOM 245 O PHE A 20 9.091 3.092 -1.215 1.00 0.95 O ATOM 246 CB PHE A 20 8.769 0.708 -3.565 1.00 0.62 C ATOM 247 CG PHE A 20 8.198 1.291 -4.833 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.030 1.906 -5.754 1.00 1.08 C ATOM 249 CD2 PHE A 20 6.837 1.215 -5.081 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.504 2.441 -6.917 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.312 1.750 -6.244 1.00 1.17 C ATOM 252 CZ PHE A 20 7.152 2.361 -7.165 1.00 1.19 C ATOM 0 H PHE A 20 11.095 -0.047 -3.293 1.00 0.63 H new ATOM 0 HA PHE A 20 9.928 2.517 -3.507 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.197 -0.271 -3.782 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.963 0.552 -2.848 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.091 1.968 -5.564 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.185 0.737 -4.365 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.155 2.922 -7.632 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.251 1.692 -6.435 1.00 1.17 H new ATOM 0 HZ PHE A 20 6.745 2.774 -8.076 1.00 1.19 H new ATOM 262 N HIS A 21 9.491 0.958 -0.621 1.00 0.53 N ATOM 263 CA HIS A 21 9.132 1.163 0.777 1.00 0.57 C ATOM 264 C HIS A 21 9.859 2.371 1.346 1.00 0.69 C ATOM 265 O HIS A 21 9.239 3.383 1.676 1.00 1.03 O ATOM 266 CB HIS A 21 9.481 -0.076 1.594 1.00 0.54 C ATOM 267 CG HIS A 21 8.793 -1.312 1.105 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.635 -2.438 1.870 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.202 -1.610 -0.081 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.991 -3.371 1.207 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.709 -2.898 0.004 1.00 0.42 N ATOM 0 H HIS A 21 9.778 0.006 -0.847 1.00 0.53 H new ATOM 0 HA HIS A 21 8.058 1.342 0.832 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.559 -0.232 1.565 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.211 0.095 2.636 1.00 0.54 H new ATOM 0 HD2 HIS A 21 8.130 -0.957 -0.938 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.736 -4.352 1.579 1.00 0.45 H new ATOM 0 HE2 HIS A 21 7.213 -3.398 -0.734 1.00 0.42 H new ATOM 279 N ARG A 22 11.180 2.261 1.455 1.00 0.68 N ATOM 280 CA ARG A 22 12.002 3.343 1.986 1.00 0.80 C ATOM 281 C ARG A 22 11.632 4.672 1.336 1.00 0.81 C ATOM 282 O ARG A 22 11.771 5.732 1.946 1.00 0.92 O ATOM 283 CB ARG A 22 13.477 3.042 1.743 1.00 0.93 C ATOM 284 CG ARG A 22 14.377 4.116 2.345 1.00 1.64 C ATOM 285 CD ARG A 22 14.871 5.095 1.283 1.00 2.14 C ATOM 286 NE ARG A 22 16.287 5.382 1.476 1.00 2.73 N ATOM 287 CZ ARG A 22 16.881 6.407 0.873 1.00 3.33 C ATOM 288 NH1 ARG A 22 16.867 6.500 -0.449 1.00 3.72 N ATOM 289 NH2 ARG A 22 17.490 7.339 1.593 1.00 3.95 N ATOM 0 H ARG A 22 11.705 1.430 1.182 1.00 0.68 H new ATOM 0 HA ARG A 22 11.820 3.419 3.058 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.727 2.073 2.175 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.662 2.970 0.671 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.830 4.660 3.116 1.00 1.64 H new ATOM 0 HG3 ARG A 22 15.231 3.645 2.832 1.00 1.64 H new ATOM 0 HD2 ARG A 22 14.710 4.676 0.290 1.00 2.14 H new ATOM 0 HD3 ARG A 22 14.296 6.019 1.335 1.00 2.14 H new ATOM 0 HE ARG A 22 16.836 4.781 2.090 1.00 2.73 H new ATOM 0 HH11 ARG A 22 16.400 5.784 -1.006 1.00 3.72 H new ATOM 0 HH12 ARG A 22 17.323 7.287 -0.910 1.00 3.72 H new ATOM 0 HH21 ARG A 22 17.503 7.270 2.611 1.00 3.95 H new ATOM 0 HH22 ARG A 22 17.946 8.125 1.129 1.00 3.95 H new ATOM 303 N HIS A 23 11.158 4.605 0.096 1.00 0.90 N ATOM 304 CA HIS A 23 10.763 5.800 -0.641 1.00 0.98 C ATOM 305 C HIS A 23 9.354 6.226 -0.249 1.00 0.96 C ATOM 306 O HIS A 23 9.056 7.417 -0.163 1.00 1.12 O ATOM 307 CB HIS A 23 10.827 5.532 -2.143 1.00 1.02 C ATOM 308 CG HIS A 23 11.887 6.331 -2.838 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.229 7.606 -2.472 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.695 6.040 -3.889 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.183 8.077 -3.241 1.00 2.07 C ATOM 312 NE2 HIS A 23 13.496 7.143 -4.124 1.00 1.86 N ATOM 0 H HIS A 23 11.038 3.734 -0.420 1.00 0.90 H new ATOM 0 HA HIS A 23 11.453 6.606 -0.392 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.013 4.471 -2.309 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.858 5.760 -2.588 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.710 5.113 -4.443 1.00 1.56 H new ATOM 0 HE1 HIS A 23 13.633 9.056 -3.166 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.206 7.222 -4.852 1.00 1.86 H new ATOM 320 N LEU A 24 8.489 5.245 -0.010 1.00 0.86 N ATOM 321 CA LEU A 24 7.107 5.517 0.373 1.00 0.87 C ATOM 322 C LEU A 24 7.029 5.933 1.836 1.00 0.97 C ATOM 323 O LEU A 24 6.495 6.993 2.162 1.00 1.16 O ATOM 324 CB LEU A 24 6.245 4.280 0.140 1.00 0.73 C ATOM 325 CG LEU A 24 5.847 4.139 -1.326 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.342 2.814 -1.896 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.334 4.266 -1.489 1.00 1.25 C ATOM 0 H LEU A 24 8.721 4.254 -0.075 1.00 0.86 H new ATOM 0 HA LEU A 24 6.734 6.335 -0.243 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.791 3.391 0.456 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.348 4.340 0.757 1.00 0.73 H new ATOM 0 HG LEU A 24 6.319 4.947 -1.886 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.047 2.735 -2.942 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.428 2.769 -1.821 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.905 1.990 -1.333 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.072 4.162 -2.542 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.839 3.484 -0.913 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.010 5.242 -1.129 1.00 1.25 H new ATOM 339 N ILE A 25 7.562 5.091 2.717 1.00 0.92 N ATOM 340 CA ILE A 25 7.548 5.373 4.149 1.00 1.10 C ATOM 341 C ILE A 25 8.206 6.718 4.440 1.00 1.41 C ATOM 342 O ILE A 25 7.916 7.354 5.453 1.00 1.91 O ATOM 343 CB ILE A 25 8.266 4.259 4.910 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.752 4.215 4.553 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.615 2.910 4.633 1.00 1.06 C ATOM 346 CD1 ILE A 25 10.598 3.784 5.748 1.00 0.91 C ATOM 0 H ILE A 25 8.008 4.209 2.465 1.00 0.92 H new ATOM 0 HA ILE A 25 6.511 5.419 4.482 1.00 1.10 H new ATOM 0 HB ILE A 25 8.179 4.475 5.975 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.909 3.523 3.725 1.00 0.90 H new ATOM 0 HG13 ILE A 25 10.075 5.198 4.212 1.00 0.90 H new ATOM 0 HG21 ILE A 25 8.142 2.132 5.185 1.00 1.06 H new ATOM 0 HG22 ILE A 25 6.573 2.937 4.950 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.664 2.695 3.566 1.00 1.06 H new ATOM 0 HD11 ILE A 25 11.649 3.763 5.461 1.00 0.91 H new ATOM 0 HD12 ILE A 25 10.459 4.491 6.566 1.00 0.91 H new ATOM 0 HD13 ILE A 25 10.290 2.790 6.072 1.00 0.91 H new ATOM 358 N GLY A 26 9.093 7.145 3.546 1.00 1.49 N ATOM 359 CA GLY A 26 9.792 8.415 3.707 1.00 1.87 C ATOM 360 C GLY A 26 11.017 8.253 4.597 1.00 1.82 C ATOM 361 O GLY A 26 12.072 7.810 4.143 1.00 2.29 O ATOM 0 H GLY A 26 9.345 6.630 2.702 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.094 8.794 2.731 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.118 9.153 4.141 1.00 1.87 H new ATOM 365 N LYS A 27 10.871 8.613 5.868 1.00 1.86 N ATOM 366 CA LYS A 27 11.964 8.507 6.826 1.00 1.91 C ATOM 367 C LYS A 27 11.665 7.427 7.859 1.00 1.62 C ATOM 368 O LYS A 27 12.578 6.797 8.395 1.00 2.38 O ATOM 369 CB LYS A 27 12.184 9.846 7.525 1.00 2.21 C ATOM 370 CG LYS A 27 10.863 10.531 7.866 1.00 2.65 C ATOM 371 CD LYS A 27 10.426 11.491 6.763 1.00 3.30 C ATOM 372 CE LYS A 27 10.047 12.859 7.324 1.00 3.80 C ATOM 373 NZ LYS A 27 11.203 13.797 7.287 1.00 4.51 N ATOM 0 H LYS A 27 10.004 8.982 6.259 1.00 1.86 H new ATOM 0 HA LYS A 27 12.870 8.234 6.285 1.00 1.91 H new ATOM 0 HB2 LYS A 27 12.759 9.689 8.438 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.777 10.498 6.883 1.00 2.21 H new ATOM 0 HG2 LYS A 27 10.091 9.777 8.020 1.00 2.65 H new ATOM 0 HG3 LYS A 27 10.967 11.077 8.804 1.00 2.65 H new ATOM 0 HD2 LYS A 27 11.233 11.605 6.039 1.00 3.30 H new ATOM 0 HD3 LYS A 27 9.575 11.068 6.228 1.00 3.30 H new ATOM 0 HE2 LYS A 27 9.220 13.274 6.748 1.00 3.80 H new ATOM 0 HE3 LYS A 27 9.697 12.749 8.351 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 10.915 14.718 7.674 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 11.982 13.410 7.857 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 11.520 13.919 6.304 1.00 4.51 H new ATOM 387 N SER A 28 10.382 7.216 8.131 1.00 1.28 N ATOM 388 CA SER A 28 9.959 6.211 9.099 1.00 1.60 C ATOM 389 C SER A 28 8.762 5.431 8.571 1.00 1.60 C ATOM 390 O SER A 28 8.744 4.201 8.610 1.00 2.28 O ATOM 391 CB SER A 28 9.601 6.879 10.422 1.00 1.99 C ATOM 392 OG SER A 28 9.155 8.209 10.199 1.00 2.57 O ATOM 0 H SER A 28 9.616 7.728 7.694 1.00 1.28 H new ATOM 0 HA SER A 28 10.784 5.517 9.260 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.822 6.307 10.927 1.00 1.99 H new ATOM 0 HB3 SER A 28 10.470 6.885 11.081 1.00 1.99 H new ATOM 0 HG SER A 28 8.927 8.626 11.056 1.00 2.57 H new ATOM 398 N GLY A 29 7.761 6.154 8.078 1.00 1.21 N ATOM 399 CA GLY A 29 6.558 5.530 7.541 1.00 1.23 C ATOM 400 C GLY A 29 5.311 6.295 7.963 1.00 1.36 C ATOM 401 O GLY A 29 4.538 5.828 8.798 1.00 2.05 O ATOM 0 H GLY A 29 7.760 7.173 8.040 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.617 5.495 6.453 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.492 4.499 7.890 1.00 1.23 H new ATOM 405 N ALA A 30 5.122 7.475 7.381 1.00 1.00 N ATOM 406 CA ALA A 30 3.966 8.307 7.695 1.00 1.10 C ATOM 407 C ALA A 30 3.192 8.672 6.430 1.00 1.06 C ATOM 408 O ALA A 30 2.387 9.603 6.436 1.00 1.43 O ATOM 409 CB ALA A 30 4.419 9.577 8.408 1.00 1.27 C ATOM 0 H ALA A 30 5.755 7.877 6.689 1.00 1.00 H new ATOM 0 HA ALA A 30 3.305 7.738 8.349 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.551 10.194 8.640 1.00 1.27 H new ATOM 0 HB2 ALA A 30 4.933 9.312 9.332 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.098 10.134 7.763 1.00 1.27 H new ATOM 415 N ASN A 31 3.431 7.933 5.349 1.00 0.73 N ATOM 416 CA ASN A 31 2.746 8.184 4.086 1.00 0.69 C ATOM 417 C ASN A 31 1.464 7.365 4.013 1.00 0.60 C ATOM 418 O ASN A 31 0.393 7.889 3.698 1.00 0.58 O ATOM 419 CB ASN A 31 3.660 7.827 2.916 1.00 0.71 C ATOM 420 CG ASN A 31 3.474 8.821 1.777 1.00 1.24 C ATOM 421 OD1 ASN A 31 2.353 9.225 1.466 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.577 9.218 1.152 1.00 1.42 N ATOM 0 H ASN A 31 4.093 7.157 5.323 1.00 0.73 H new ATOM 0 HA ASN A 31 2.492 9.242 4.028 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.700 7.830 3.244 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.438 6.818 2.567 1.00 0.71 H new ATOM 0 HD21 ASN A 31 4.515 9.883 0.381 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.486 8.858 1.443 1.00 1.42 H new ATOM 429 N ILE A 32 1.582 6.074 4.314 1.00 0.58 N ATOM 430 CA ILE A 32 0.434 5.174 4.291 1.00 0.56 C ATOM 431 C ILE A 32 -0.727 5.769 5.083 1.00 0.52 C ATOM 432 O ILE A 32 -1.889 5.463 4.822 1.00 0.51 O ATOM 433 CB ILE A 32 0.821 3.807 4.861 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.041 3.874 6.376 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.060 3.258 4.158 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.284 4.682 6.736 1.00 1.07 C ATOM 0 H ILE A 32 2.461 5.629 4.577 1.00 0.58 H new ATOM 0 HA ILE A 32 0.116 5.044 3.257 1.00 0.56 H new ATOM 0 HB ILE A 32 -0.009 3.125 4.677 1.00 0.63 H new ATOM 0 HG12 ILE A 32 0.167 4.321 6.850 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.137 2.864 6.774 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.317 2.286 4.579 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.856 3.149 3.093 1.00 0.69 H new ATOM 0 HG23 ILE A 32 2.893 3.946 4.299 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.402 4.704 7.819 1.00 1.07 H new ATOM 0 HD12 ILE A 32 3.162 4.220 6.284 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.177 5.700 6.362 1.00 1.07 H new ATOM 448 N ASN A 33 -0.402 6.628 6.046 1.00 0.56 N ATOM 449 CA ASN A 33 -1.416 7.273 6.868 1.00 0.59 C ATOM 450 C ASN A 33 -2.173 8.305 6.044 1.00 0.54 C ATOM 451 O ASN A 33 -3.399 8.388 6.107 1.00 0.55 O ATOM 452 CB ASN A 33 -0.764 7.946 8.074 1.00 0.71 C ATOM 453 CG ASN A 33 -1.761 8.055 9.221 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.634 8.924 9.218 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.630 7.174 10.205 1.00 1.62 N ATOM 0 H ASN A 33 0.556 6.892 6.274 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.117 6.517 7.222 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.106 7.372 8.393 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.408 8.938 7.797 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.268 7.200 11.001 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -0.892 6.471 10.165 1.00 1.62 H new ATOM 462 N ARG A 34 -1.431 9.086 5.265 1.00 0.55 N ATOM 463 CA ARG A 34 -2.030 10.110 4.419 1.00 0.56 C ATOM 464 C ARG A 34 -3.055 9.483 3.485 1.00 0.48 C ATOM 465 O ARG A 34 -4.134 10.034 3.272 1.00 0.48 O ATOM 466 CB ARG A 34 -0.952 10.821 3.607 1.00 0.65 C ATOM 467 CG ARG A 34 -1.381 12.235 3.223 1.00 0.89 C ATOM 468 CD ARG A 34 -0.389 12.882 2.262 1.00 1.22 C ATOM 469 NE ARG A 34 0.810 13.302 2.978 1.00 1.69 N ATOM 470 CZ ARG A 34 2.008 13.283 2.404 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.393 14.293 1.636 1.00 2.78 N ATOM 472 NH2 ARG A 34 2.822 12.254 2.598 1.00 2.90 N ATOM 0 H ARG A 34 -0.415 9.029 5.203 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.530 10.840 5.055 1.00 0.56 H new ATOM 0 HB2 ARG A 34 -0.029 10.864 4.185 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.737 10.248 2.705 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -2.368 12.203 2.761 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.469 12.846 4.122 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -0.122 12.177 1.475 1.00 1.22 H new ATOM 0 HD3 ARG A 34 -0.851 13.742 1.777 1.00 1.22 H new ATOM 0 HE ARG A 34 0.727 13.618 3.944 1.00 1.69 H new ATOM 0 HH11 ARG A 34 1.769 15.086 1.485 1.00 2.78 H new ATOM 0 HH12 ARG A 34 3.313 14.277 1.196 1.00 2.78 H new ATOM 0 HH21 ARG A 34 2.529 11.476 3.189 1.00 2.90 H new ATOM 0 HH22 ARG A 34 3.741 12.241 2.157 1.00 2.90 H new ATOM 486 N ILE A 35 -2.715 8.321 2.935 1.00 0.45 N ATOM 487 CA ILE A 35 -3.615 7.615 2.029 1.00 0.40 C ATOM 488 C ILE A 35 -4.714 6.915 2.822 1.00 0.34 C ATOM 489 O ILE A 35 -5.899 7.068 2.529 1.00 0.34 O ATOM 490 CB ILE A 35 -2.837 6.597 1.201 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.744 7.288 0.388 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.773 5.818 0.282 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.463 7.455 1.200 1.00 1.29 C ATOM 0 H ILE A 35 -1.826 7.850 3.100 1.00 0.45 H new ATOM 0 HA ILE A 35 -4.073 8.339 1.355 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.365 5.892 1.886 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.534 6.706 -0.509 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -2.097 8.265 0.059 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.197 5.098 -0.299 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.515 5.290 0.881 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.277 6.509 -0.394 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.293 7.950 0.590 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.669 8.059 2.084 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -0.097 6.475 1.507 1.00 1.29 H new ATOM 505 N LYS A 36 -4.308 6.151 3.834 1.00 0.35 N ATOM 506 CA LYS A 36 -5.243 5.420 4.691 1.00 0.36 C ATOM 507 C LYS A 36 -6.460 6.279 5.032 1.00 0.39 C ATOM 508 O LYS A 36 -7.591 5.795 5.038 1.00 0.51 O ATOM 509 CB LYS A 36 -4.535 4.995 5.975 1.00 0.44 C ATOM 510 CG LYS A 36 -5.437 4.145 6.865 1.00 1.09 C ATOM 511 CD LYS A 36 -5.123 4.350 8.345 1.00 1.41 C ATOM 512 CE LYS A 36 -5.764 3.269 9.209 1.00 2.17 C ATOM 513 NZ LYS A 36 -7.242 3.436 9.276 1.00 2.76 N ATOM 0 H LYS A 36 -3.328 6.021 4.083 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.588 4.538 4.152 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.636 4.432 5.725 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.214 5.881 6.523 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.480 4.399 6.675 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.314 3.093 6.609 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.043 4.342 8.493 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.481 5.330 8.661 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -5.525 2.286 8.803 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -5.345 3.308 10.215 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -7.649 2.686 9.871 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -7.468 4.365 9.686 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -7.642 3.374 8.318 1.00 2.76 H new ATOM 527 N ASP A 37 -6.217 7.556 5.309 1.00 0.40 N ATOM 528 CA ASP A 37 -7.288 8.485 5.644 1.00 0.45 C ATOM 529 C ASP A 37 -7.889 9.078 4.378 1.00 0.44 C ATOM 530 O ASP A 37 -9.110 9.168 4.239 1.00 0.60 O ATOM 531 CB ASP A 37 -6.748 9.598 6.531 1.00 0.51 C ATOM 532 CG ASP A 37 -5.445 10.144 5.962 1.00 0.82 C ATOM 533 OD1 ASP A 37 -4.443 9.398 5.946 1.00 1.56 O ATOM 534 OD2 ASP A 37 -5.428 11.317 5.533 1.00 1.37 O ATOM 0 H ASP A 37 -5.285 7.971 5.308 1.00 0.40 H new ATOM 0 HA ASP A 37 -8.067 7.944 6.181 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -7.483 10.399 6.608 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -6.582 9.220 7.540 1.00 0.51 H new ATOM 539 N GLN A 38 -7.023 9.475 3.452 1.00 0.41 N ATOM 540 CA GLN A 38 -7.458 10.056 2.187 1.00 0.46 C ATOM 541 C GLN A 38 -8.288 9.053 1.403 1.00 0.42 C ATOM 542 O GLN A 38 -9.492 9.227 1.221 1.00 0.68 O ATOM 543 CB GLN A 38 -6.242 10.463 1.363 1.00 0.54 C ATOM 544 CG GLN A 38 -6.642 11.082 0.033 1.00 0.65 C ATOM 545 CD GLN A 38 -6.699 12.600 0.151 1.00 1.05 C ATOM 546 OE1 GLN A 38 -5.667 13.271 0.165 1.00 1.65 O ATOM 547 NE2 GLN A 38 -7.908 13.141 0.236 1.00 1.66 N ATOM 0 H GLN A 38 -6.011 9.404 3.555 1.00 0.41 H new ATOM 0 HA GLN A 38 -8.068 10.934 2.397 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.641 11.175 1.929 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.616 9.589 1.183 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.926 10.797 -0.738 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.614 10.698 -0.277 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -8.736 12.545 0.220 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -8.009 14.153 0.317 1.00 1.66 H new ATOM 556 N TYR A 39 -7.626 8.001 0.940 1.00 0.34 N ATOM 557 CA TYR A 39 -8.283 6.953 0.169 1.00 0.34 C ATOM 558 C TYR A 39 -9.151 6.061 1.056 1.00 0.30 C ATOM 559 O TYR A 39 -9.817 5.152 0.559 1.00 0.32 O ATOM 560 CB TYR A 39 -7.234 6.109 -0.547 1.00 0.39 C ATOM 561 CG TYR A 39 -6.608 6.822 -1.719 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.843 7.957 -1.517 1.00 0.53 C ATOM 563 CD2 TYR A 39 -6.796 6.342 -3.003 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.269 8.610 -2.595 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.221 6.993 -4.080 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.463 8.136 -3.866 1.00 0.66 C ATOM 567 OH TYR A 39 -4.889 8.772 -4.943 1.00 0.77 O ATOM 0 H TYR A 39 -6.628 7.850 1.086 1.00 0.34 H new ATOM 0 HA TYR A 39 -8.935 7.431 -0.562 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.454 5.830 0.161 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -7.694 5.184 -0.894 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.693 8.335 -0.516 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -7.393 5.457 -3.165 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.668 9.493 -2.434 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.361 6.614 -5.082 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.051 9.196 -4.664 1.00 0.77 H new ATOM 577 N LYS A 40 -9.148 6.313 2.366 1.00 0.28 N ATOM 578 CA LYS A 40 -9.942 5.515 3.293 1.00 0.31 C ATOM 579 C LYS A 40 -9.620 4.039 3.115 1.00 0.29 C ATOM 580 O LYS A 40 -10.513 3.211 2.940 1.00 0.39 O ATOM 581 CB LYS A 40 -11.429 5.759 3.051 1.00 0.38 C ATOM 582 CG LYS A 40 -12.248 5.520 4.316 1.00 0.86 C ATOM 583 CD LYS A 40 -13.118 6.725 4.657 1.00 1.29 C ATOM 584 CE LYS A 40 -14.532 6.304 5.046 1.00 1.88 C ATOM 585 NZ LYS A 40 -15.535 6.802 4.065 1.00 2.56 N ATOM 0 H LYS A 40 -8.607 7.059 2.804 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.698 5.810 4.314 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.580 6.782 2.707 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.782 5.100 2.258 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -12.879 4.641 4.181 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.578 5.307 5.149 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.665 7.281 5.477 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.161 7.398 3.801 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -14.587 5.217 5.105 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.768 6.689 6.038 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -16.486 6.500 4.357 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -15.498 7.841 4.028 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -15.322 6.414 3.124 1.00 2.56 H new ATOM 599 N VAL A 41 -8.331 3.722 3.150 1.00 0.23 N ATOM 600 CA VAL A 41 -7.870 2.351 2.981 1.00 0.23 C ATOM 601 C VAL A 41 -6.937 1.960 4.120 1.00 0.27 C ATOM 602 O VAL A 41 -6.802 2.694 5.097 1.00 0.33 O ATOM 603 CB VAL A 41 -7.159 2.227 1.639 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.162 2.348 0.498 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.069 3.287 1.506 1.00 0.23 C ATOM 0 H VAL A 41 -7.584 4.401 3.295 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.725 1.675 3.000 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.688 1.245 1.588 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.641 2.258 -0.455 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.906 1.556 0.582 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.657 3.317 0.550 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.574 3.181 0.541 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.515 4.279 1.578 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.338 3.160 2.305 1.00 0.23 H new ATOM 615 N SER A 42 -6.297 0.802 3.995 1.00 0.29 N ATOM 616 CA SER A 42 -5.380 0.317 5.021 1.00 0.34 C ATOM 617 C SER A 42 -4.156 -0.327 4.382 1.00 0.30 C ATOM 618 O SER A 42 -4.149 -1.526 4.103 1.00 0.36 O ATOM 619 CB SER A 42 -6.089 -0.694 5.914 1.00 0.43 C ATOM 620 OG SER A 42 -5.542 -0.663 7.226 1.00 0.93 O ATOM 0 H SER A 42 -6.397 0.181 3.192 1.00 0.29 H new ATOM 0 HA SER A 42 -5.054 1.164 5.624 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.155 -0.471 5.952 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.987 -1.695 5.494 1.00 0.43 H new ATOM 0 HG SER A 42 -6.007 -1.316 7.790 1.00 0.93 H new ATOM 626 N VAL A 43 -3.120 0.475 4.153 1.00 0.33 N ATOM 627 CA VAL A 43 -1.889 -0.019 3.545 1.00 0.34 C ATOM 628 C VAL A 43 -0.962 -0.595 4.604 1.00 0.35 C ATOM 629 O VAL A 43 -1.097 -0.299 5.792 1.00 0.55 O ATOM 630 CB VAL A 43 -1.183 1.112 2.804 1.00 0.49 C ATOM 631 CG1 VAL A 43 0.100 0.611 2.148 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.107 1.737 1.767 1.00 1.25 C ATOM 0 H VAL A 43 -3.109 1.470 4.379 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.147 -0.808 2.839 1.00 0.34 H new ATOM 0 HB VAL A 43 -0.917 1.879 3.531 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.587 1.434 1.625 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.771 0.219 2.913 1.00 0.54 H new ATOM 0 HG13 VAL A 43 -0.140 -0.179 1.437 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -1.583 2.541 1.251 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.409 0.979 1.045 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -2.991 2.139 2.262 1.00 1.25 H new ATOM 642 N ARG A 44 -0.016 -1.420 4.167 1.00 0.31 N ATOM 643 CA ARG A 44 0.940 -2.040 5.078 1.00 0.42 C ATOM 644 C ARG A 44 2.232 -2.384 4.348 1.00 0.40 C ATOM 645 O ARG A 44 2.268 -3.300 3.527 1.00 0.41 O ATOM 646 CB ARG A 44 0.338 -3.303 5.686 1.00 0.52 C ATOM 647 CG ARG A 44 -0.297 -3.023 7.046 1.00 0.78 C ATOM 648 CD ARG A 44 -1.529 -3.891 7.281 1.00 1.05 C ATOM 649 NE ARG A 44 -1.612 -4.287 8.683 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.821 -5.550 9.040 1.00 1.74 C ATOM 651 NH1 ARG A 44 -2.923 -6.176 8.654 1.00 2.28 N ATOM 652 NH2 ARG A 44 -0.928 -6.186 9.786 1.00 2.27 N ATOM 0 H ARG A 44 0.109 -1.675 3.187 1.00 0.31 H new ATOM 0 HA ARG A 44 1.168 -1.331 5.874 1.00 0.42 H new ATOM 0 HB2 ARG A 44 -0.413 -3.711 5.010 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.114 -4.061 5.795 1.00 0.52 H new ATOM 0 HG2 ARG A 44 0.434 -3.207 7.834 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -0.575 -1.971 7.108 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.427 -3.343 6.998 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.483 -4.777 6.648 1.00 1.05 H new ATOM 0 HE ARG A 44 -1.507 -3.577 9.407 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -3.613 -5.689 8.082 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -3.082 -7.145 8.929 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -0.080 -5.706 10.086 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -1.089 -7.155 10.059 1.00 2.27 H new ATOM 666 N ILE A 45 3.294 -1.646 4.656 1.00 0.46 N ATOM 667 CA ILE A 45 4.595 -1.872 4.036 1.00 0.47 C ATOM 668 C ILE A 45 5.339 -2.991 4.772 1.00 0.53 C ATOM 669 O ILE A 45 5.750 -2.820 5.919 1.00 0.64 O ATOM 670 CB ILE A 45 5.411 -0.573 4.061 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.803 0.454 3.106 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.879 -0.819 3.711 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.031 0.074 1.643 1.00 0.56 C ATOM 0 H ILE A 45 3.279 -0.884 5.334 1.00 0.46 H new ATOM 0 HA ILE A 45 4.454 -2.177 2.999 1.00 0.47 H new ATOM 0 HB ILE A 45 5.375 -0.181 5.077 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.733 0.539 3.297 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.240 1.434 3.299 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.423 0.125 3.740 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.314 -1.511 4.433 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.948 -1.247 2.711 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.584 0.829 0.997 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.101 0.015 1.445 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.571 -0.894 1.442 1.00 0.56 H new ATOM 685 N PRO A 46 5.525 -4.154 4.120 1.00 0.48 N ATOM 686 CA PRO A 46 6.224 -5.290 4.729 1.00 0.58 C ATOM 687 C PRO A 46 7.741 -5.105 4.706 1.00 0.61 C ATOM 688 O PRO A 46 8.349 -5.059 3.637 1.00 0.56 O ATOM 689 CB PRO A 46 5.803 -6.475 3.866 1.00 0.57 C ATOM 690 CG PRO A 46 5.448 -5.894 2.535 1.00 0.47 C ATOM 691 CD PRO A 46 5.070 -4.452 2.752 1.00 0.41 C ATOM 0 HA PRO A 46 5.971 -5.416 5.782 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.611 -7.201 3.774 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.953 -6.998 4.305 1.00 0.57 H new ATOM 0 HG2 PRO A 46 6.291 -5.969 1.848 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.620 -6.443 2.086 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.552 -3.801 2.023 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.995 -4.304 2.650 1.00 0.41 H new ATOM 699 N PRO A 47 8.377 -4.999 5.886 1.00 0.74 N ATOM 700 CA PRO A 47 9.826 -4.824 5.980 1.00 0.81 C ATOM 701 C PRO A 47 10.574 -6.143 5.828 1.00 0.87 C ATOM 702 O PRO A 47 11.117 -6.676 6.796 1.00 1.53 O ATOM 703 CB PRO A 47 10.023 -4.229 7.370 1.00 0.98 C ATOM 704 CG PRO A 47 8.839 -4.669 8.172 1.00 1.03 C ATOM 705 CD PRO A 47 7.740 -5.046 7.212 1.00 0.85 C ATOM 0 HA PRO A 47 10.220 -4.191 5.185 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.952 -4.581 7.818 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.083 -3.142 7.325 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.101 -5.518 8.804 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.509 -3.869 8.834 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.347 -6.039 7.429 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.902 -4.351 7.275 1.00 0.85 H new ATOM 713 N ASP A 48 10.594 -6.668 4.606 1.00 1.32 N ATOM 714 CA ASP A 48 11.274 -7.928 4.323 1.00 1.46 C ATOM 715 C ASP A 48 12.068 -7.825 3.027 1.00 1.48 C ATOM 716 O ASP A 48 11.520 -7.991 1.937 1.00 2.18 O ATOM 717 CB ASP A 48 10.252 -9.056 4.218 1.00 2.16 C ATOM 718 CG ASP A 48 9.098 -8.642 3.315 1.00 2.56 C ATOM 719 OD1 ASP A 48 9.362 -8.184 2.182 1.00 3.01 O ATOM 720 OD2 ASP A 48 7.930 -8.775 3.739 1.00 3.03 O ATOM 0 H ASP A 48 10.147 -6.240 3.795 1.00 1.32 H new ATOM 0 HA ASP A 48 11.965 -8.143 5.138 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.729 -9.952 3.822 1.00 2.16 H new ATOM 0 HB3 ASP A 48 9.875 -9.307 5.209 1.00 2.16 H new ATOM 725 N SER A 49 13.362 -7.549 3.151 1.00 1.59 N ATOM 726 CA SER A 49 14.234 -7.421 1.988 1.00 2.11 C ATOM 727 C SER A 49 15.152 -8.632 1.869 1.00 1.90 C ATOM 728 O SER A 49 16.236 -8.660 2.452 1.00 2.33 O ATOM 729 CB SER A 49 15.068 -6.148 2.101 1.00 3.03 C ATOM 730 OG SER A 49 15.152 -5.495 0.843 1.00 3.81 O ATOM 0 H SER A 49 13.831 -7.409 4.046 1.00 1.59 H new ATOM 0 HA SER A 49 13.613 -7.367 1.094 1.00 2.11 H new ATOM 0 HB2 SER A 49 14.622 -5.478 2.836 1.00 3.03 H new ATOM 0 HB3 SER A 49 16.068 -6.392 2.458 1.00 3.03 H new ATOM 0 HG SER A 49 15.688 -4.680 0.933 1.00 3.81 H new ATOM 736 N GLU A 50 14.713 -9.627 1.107 1.00 1.92 N ATOM 737 CA GLU A 50 15.495 -10.842 0.906 1.00 2.27 C ATOM 738 C GLU A 50 15.689 -11.109 -0.580 1.00 2.09 C ATOM 739 O GLU A 50 16.800 -11.392 -1.030 1.00 2.74 O ATOM 740 CB GLU A 50 14.793 -12.029 1.560 1.00 3.06 C ATOM 741 CG GLU A 50 15.679 -12.701 2.605 1.00 3.83 C ATOM 742 CD GLU A 50 15.450 -14.207 2.604 1.00 4.43 C ATOM 743 OE1 GLU A 50 14.510 -14.667 3.285 1.00 4.75 O ATOM 744 OE2 GLU A 50 16.213 -14.924 1.922 1.00 4.97 O ATOM 0 H GLU A 50 13.818 -9.617 0.617 1.00 1.92 H new ATOM 0 HA GLU A 50 16.473 -10.707 1.368 1.00 2.27 H new ATOM 0 HB2 GLU A 50 13.868 -11.692 2.029 1.00 3.06 H new ATOM 0 HB3 GLU A 50 14.517 -12.755 0.795 1.00 3.06 H new ATOM 0 HG2 GLU A 50 16.727 -12.486 2.396 1.00 3.83 H new ATOM 0 HG3 GLU A 50 15.461 -12.294 3.592 1.00 3.83 H new ATOM 751 N LYS A 51 14.602 -11.017 -1.339 1.00 1.76 N ATOM 752 CA LYS A 51 14.648 -11.248 -2.779 1.00 1.77 C ATOM 753 C LYS A 51 13.468 -10.575 -3.466 1.00 1.55 C ATOM 754 O LYS A 51 13.627 -9.925 -4.500 1.00 2.20 O ATOM 755 CB LYS A 51 14.632 -12.746 -3.068 1.00 2.14 C ATOM 756 CG LYS A 51 15.840 -13.171 -3.897 1.00 2.60 C ATOM 757 CD LYS A 51 16.622 -14.292 -3.217 1.00 3.36 C ATOM 758 CE LYS A 51 18.013 -14.452 -3.824 1.00 4.12 C ATOM 759 NZ LYS A 51 19.046 -14.646 -2.769 1.00 4.81 N ATOM 0 H LYS A 51 13.676 -10.784 -0.980 1.00 1.76 H new ATOM 0 HA LYS A 51 15.570 -10.818 -3.170 1.00 1.77 H new ATOM 0 HB2 LYS A 51 14.622 -13.298 -2.128 1.00 2.14 H new ATOM 0 HB3 LYS A 51 13.716 -13.005 -3.599 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.508 -13.503 -4.881 1.00 2.60 H new ATOM 0 HG3 LYS A 51 16.494 -12.313 -4.054 1.00 2.60 H new ATOM 0 HD2 LYS A 51 16.711 -14.080 -2.151 1.00 3.36 H new ATOM 0 HD3 LYS A 51 16.073 -15.229 -3.311 1.00 3.36 H new ATOM 0 HE2 LYS A 51 18.020 -15.304 -4.503 1.00 4.12 H new ATOM 0 HE3 LYS A 51 18.257 -13.570 -4.417 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 19.980 -14.752 -3.213 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 19.055 -13.821 -2.136 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 18.825 -15.501 -2.220 1.00 4.81 H new ATOM 773 N SER A 52 12.282 -10.735 -2.888 1.00 1.19 N ATOM 774 CA SER A 52 11.072 -10.143 -3.447 1.00 1.04 C ATOM 775 C SER A 52 10.213 -9.539 -2.343 1.00 0.92 C ATOM 776 O SER A 52 10.232 -10.004 -1.203 1.00 1.19 O ATOM 777 CB SER A 52 10.276 -11.203 -4.204 1.00 1.25 C ATOM 778 OG SER A 52 9.592 -12.055 -3.297 1.00 2.03 O ATOM 0 H SER A 52 12.133 -11.270 -2.032 1.00 1.19 H new ATOM 0 HA SER A 52 11.360 -9.350 -4.137 1.00 1.04 H new ATOM 0 HB2 SER A 52 9.560 -10.721 -4.870 1.00 1.25 H new ATOM 0 HB3 SER A 52 10.947 -11.792 -4.829 1.00 1.25 H new ATOM 0 HG SER A 52 9.085 -12.727 -3.799 1.00 2.03 H new ATOM 784 N ASN A 53 9.460 -8.501 -2.689 1.00 0.68 N ATOM 785 CA ASN A 53 8.589 -7.829 -1.730 1.00 0.61 C ATOM 786 C ASN A 53 7.193 -7.652 -2.314 1.00 0.59 C ATOM 787 O ASN A 53 7.016 -7.647 -3.532 1.00 0.99 O ATOM 788 CB ASN A 53 9.174 -6.468 -1.359 1.00 0.60 C ATOM 789 CG ASN A 53 9.255 -6.323 0.155 1.00 0.89 C ATOM 790 OD1 ASN A 53 8.395 -6.817 0.884 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.291 -5.641 0.630 1.00 1.28 N ATOM 0 H ASN A 53 9.435 -8.105 -3.629 1.00 0.68 H new ATOM 0 HA ASN A 53 8.517 -8.444 -0.833 1.00 0.61 H new ATOM 0 HB2 ASN A 53 10.167 -6.360 -1.795 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.555 -5.673 -1.775 1.00 0.60 H new ATOM 0 HD21 ASN A 53 10.397 -5.510 1.636 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.980 -5.249 -0.011 1.00 1.28 H new ATOM 798 N LEU A 54 6.203 -7.506 -1.439 1.00 0.55 N ATOM 799 CA LEU A 54 4.820 -7.330 -1.870 1.00 0.51 C ATOM 800 C LEU A 54 4.028 -6.552 -0.827 1.00 0.44 C ATOM 801 O LEU A 54 3.629 -7.102 0.199 1.00 0.57 O ATOM 802 CB LEU A 54 4.169 -8.690 -2.104 1.00 0.65 C ATOM 803 CG LEU A 54 4.292 -9.133 -3.558 1.00 0.82 C ATOM 804 CD1 LEU A 54 4.653 -10.613 -3.642 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.001 -8.850 -4.322 1.00 1.49 C ATOM 0 H LEU A 54 6.332 -7.506 -0.427 1.00 0.55 H new ATOM 0 HA LEU A 54 4.819 -6.765 -2.802 1.00 0.51 H new ATOM 0 HB2 LEU A 54 4.636 -9.433 -1.457 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.116 -8.642 -1.826 1.00 0.65 H new ATOM 0 HG LEU A 54 5.094 -8.558 -4.021 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.736 -10.909 -4.688 1.00 1.49 H new ATOM 0 HD12 LEU A 54 5.605 -10.784 -3.140 1.00 1.49 H new ATOM 0 HD13 LEU A 54 3.876 -11.205 -3.158 1.00 1.49 H new ATOM 0 HD21 LEU A 54 3.112 -9.174 -5.357 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.177 -9.393 -3.858 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.791 -7.781 -4.297 1.00 1.49 H new ATOM 817 N ILE A 55 3.800 -5.271 -1.096 1.00 0.31 N ATOM 818 CA ILE A 55 3.050 -4.421 -0.179 1.00 0.26 C ATOM 819 C ILE A 55 1.634 -4.953 -0.011 1.00 0.27 C ATOM 820 O ILE A 55 1.043 -5.479 -0.955 1.00 0.34 O ATOM 821 CB ILE A 55 3.017 -2.990 -0.702 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.435 -2.452 -0.877 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.214 -2.089 0.232 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.437 -1.041 -1.456 1.00 0.35 C ATOM 0 H ILE A 55 4.123 -4.799 -1.940 1.00 0.31 H new ATOM 0 HA ILE A 55 3.544 -4.428 0.793 1.00 0.26 H new ATOM 0 HB ILE A 55 2.526 -2.994 -1.675 1.00 0.27 H new ATOM 0 HG12 ILE A 55 4.945 -2.450 0.086 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.997 -3.116 -1.534 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.205 -1.073 -0.162 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.191 -2.459 0.305 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.672 -2.090 1.221 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.464 -0.694 -1.565 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.950 -1.047 -2.431 1.00 0.35 H new ATOM 0 HD13 ILE A 55 3.897 -0.372 -0.786 1.00 0.35 H new ATOM 836 N ARG A 56 1.095 -4.822 1.196 1.00 0.29 N ATOM 837 CA ARG A 56 -0.251 -5.302 1.486 1.00 0.32 C ATOM 838 C ARG A 56 -1.235 -4.143 1.575 1.00 0.29 C ATOM 839 O ARG A 56 -1.191 -3.343 2.511 1.00 0.42 O ATOM 840 CB ARG A 56 -0.253 -6.088 2.792 1.00 0.42 C ATOM 841 CG ARG A 56 0.537 -7.387 2.662 1.00 0.55 C ATOM 842 CD ARG A 56 1.501 -7.579 3.828 1.00 0.84 C ATOM 843 NE ARG A 56 1.663 -8.997 4.127 1.00 1.44 N ATOM 844 CZ ARG A 56 2.629 -9.437 4.928 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.685 -9.028 6.189 1.00 2.19 N ATOM 846 NH2 ARG A 56 3.539 -10.285 4.468 1.00 2.33 N ATOM 0 H ARG A 56 1.569 -4.388 1.988 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.564 -5.955 0.672 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.176 -5.477 3.586 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.280 -6.312 3.082 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.153 -8.230 2.617 1.00 0.55 H new ATOM 0 HG3 ARG A 56 1.095 -7.382 1.726 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.468 -7.140 3.584 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.126 -7.056 4.708 1.00 0.84 H new ATOM 0 HE ARG A 56 1.018 -9.669 3.711 1.00 1.44 H new ATOM 0 HH11 ARG A 56 1.987 -8.375 6.545 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.426 -9.366 6.802 1.00 2.19 H new ATOM 0 HH21 ARG A 56 3.498 -10.600 3.499 1.00 2.33 H new ATOM 0 HH22 ARG A 56 4.279 -10.622 5.083 1.00 2.33 H new ATOM 860 N ILE A 57 -2.128 -4.064 0.595 1.00 0.24 N ATOM 861 CA ILE A 57 -3.138 -3.011 0.553 1.00 0.24 C ATOM 862 C ILE A 57 -4.521 -3.617 0.735 1.00 0.26 C ATOM 863 O ILE A 57 -4.859 -4.608 0.094 1.00 0.40 O ATOM 864 CB ILE A 57 -3.083 -2.260 -0.778 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.646 -2.097 -1.264 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.760 -0.898 -0.657 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.121 -3.382 -1.896 1.00 1.32 C ATOM 0 H ILE A 57 -2.174 -4.720 -0.185 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.935 -2.308 1.361 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.623 -2.854 -1.515 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.596 -1.286 -1.991 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.007 -1.815 -0.427 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.710 -0.380 -1.615 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.803 -1.034 -0.373 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.251 -0.305 0.103 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.095 -3.230 -2.231 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.147 -4.186 -1.161 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.745 -3.649 -2.749 1.00 1.32 H new ATOM 879 N GLU A 58 -5.322 -3.022 1.611 1.00 0.23 N ATOM 880 CA GLU A 58 -6.666 -3.521 1.867 1.00 0.25 C ATOM 881 C GLU A 58 -7.553 -2.419 2.422 1.00 0.24 C ATOM 882 O GLU A 58 -7.138 -1.644 3.283 1.00 0.26 O ATOM 883 CB GLU A 58 -6.609 -4.689 2.846 1.00 0.32 C ATOM 884 CG GLU A 58 -8.001 -5.225 3.167 1.00 0.37 C ATOM 885 CD GLU A 58 -7.925 -6.260 4.281 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.285 -7.313 4.073 1.00 1.56 O ATOM 887 OE2 GLU A 58 -8.505 -6.017 5.360 1.00 1.47 O ATOM 0 H GLU A 58 -5.065 -2.197 2.153 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.093 -3.863 0.924 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.000 -5.488 2.424 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.121 -4.369 3.767 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.653 -4.405 3.467 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.440 -5.672 2.275 1.00 0.37 H new ATOM 894 N GLY A 59 -8.777 -2.359 1.918 1.00 0.25 N ATOM 895 CA GLY A 59 -9.740 -1.359 2.346 1.00 0.27 C ATOM 896 C GLY A 59 -11.151 -1.895 2.190 1.00 0.39 C ATOM 897 O GLY A 59 -11.445 -3.019 2.601 1.00 0.59 O ATOM 0 H GLY A 59 -9.128 -2.999 1.205 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.558 -1.089 3.386 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.620 -0.451 1.755 1.00 0.27 H new ATOM 901 N ASP A 60 -12.024 -1.103 1.582 1.00 0.53 N ATOM 902 CA ASP A 60 -13.398 -1.535 1.375 1.00 0.70 C ATOM 903 C ASP A 60 -13.965 -0.985 0.070 1.00 0.59 C ATOM 904 O ASP A 60 -14.204 -1.743 -0.870 1.00 1.04 O ATOM 905 CB ASP A 60 -14.270 -1.116 2.555 1.00 1.22 C ATOM 906 CG ASP A 60 -14.633 -2.327 3.406 1.00 1.93 C ATOM 907 OD1 ASP A 60 -13.711 -2.965 3.955 1.00 2.66 O ATOM 908 OD2 ASP A 60 -15.838 -2.634 3.519 1.00 2.31 O ATOM 0 H ASP A 60 -11.809 -0.171 1.228 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.399 -2.623 1.305 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.741 -0.382 3.163 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.178 -0.634 2.191 1.00 1.22 H new ATOM 913 N PRO A 61 -14.196 0.336 -0.017 1.00 0.72 N ATOM 914 CA PRO A 61 -14.744 0.942 -1.235 1.00 1.14 C ATOM 915 C PRO A 61 -13.707 0.995 -2.348 1.00 0.88 C ATOM 916 O PRO A 61 -12.655 0.360 -2.258 1.00 1.22 O ATOM 917 CB PRO A 61 -15.149 2.341 -0.787 1.00 1.82 C ATOM 918 CG PRO A 61 -14.275 2.647 0.381 1.00 1.82 C ATOM 919 CD PRO A 61 -13.949 1.335 1.040 1.00 1.17 C ATOM 0 HA PRO A 61 -15.576 0.373 -1.650 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.005 3.067 -1.587 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.203 2.376 -0.510 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.365 3.154 0.060 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.782 3.314 1.078 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.915 1.306 1.383 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.579 1.158 1.912 1.00 1.17 H new ATOM 927 N GLN A 62 -14.000 1.761 -3.390 1.00 0.64 N ATOM 928 CA GLN A 62 -13.081 1.900 -4.512 1.00 0.47 C ATOM 929 C GLN A 62 -11.730 2.432 -4.034 1.00 0.41 C ATOM 930 O GLN A 62 -10.722 2.301 -4.728 1.00 0.47 O ATOM 931 CB GLN A 62 -13.671 2.845 -5.554 1.00 0.69 C ATOM 932 CG GLN A 62 -14.537 2.096 -6.563 1.00 0.85 C ATOM 933 CD GLN A 62 -16.013 2.340 -6.277 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.628 3.235 -6.855 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.582 1.542 -5.381 1.00 1.73 N ATOM 0 H GLN A 62 -14.864 2.295 -3.482 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.930 0.919 -4.962 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.269 3.609 -5.057 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.865 3.361 -6.077 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.296 2.425 -7.574 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -14.322 1.028 -6.515 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.033 0.813 -4.926 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -17.568 1.658 -5.148 1.00 1.73 H new ATOM 944 N GLY A 63 -11.719 3.039 -2.848 1.00 0.37 N ATOM 945 CA GLY A 63 -10.503 3.600 -2.276 1.00 0.34 C ATOM 946 C GLY A 63 -9.356 2.595 -2.259 1.00 0.27 C ATOM 947 O GLY A 63 -8.210 2.959 -2.523 1.00 0.29 O ATOM 0 H GLY A 63 -12.547 3.154 -2.263 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.206 4.478 -2.849 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.704 3.936 -1.259 1.00 0.34 H new ATOM 951 N VAL A 64 -9.648 1.337 -1.933 1.00 0.24 N ATOM 952 CA VAL A 64 -8.602 0.320 -1.877 1.00 0.21 C ATOM 953 C VAL A 64 -8.028 0.046 -3.265 1.00 0.24 C ATOM 954 O VAL A 64 -6.811 0.000 -3.440 1.00 0.28 O ATOM 955 CB VAL A 64 -9.114 -0.974 -1.221 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.909 -1.847 -2.189 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.935 -1.757 -0.654 1.00 0.26 C ATOM 0 H VAL A 64 -10.585 1.002 -1.707 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.796 0.708 -1.254 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.796 -0.690 -0.419 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.246 -2.747 -1.674 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.773 -1.292 -2.554 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.276 -2.126 -3.031 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.297 -2.674 -0.189 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.243 -2.007 -1.459 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.420 -1.151 0.092 1.00 0.26 H new ATOM 967 N GLN A 65 -8.900 -0.129 -4.253 1.00 0.25 N ATOM 968 CA GLN A 65 -8.453 -0.388 -5.617 1.00 0.30 C ATOM 969 C GLN A 65 -7.759 0.843 -6.181 1.00 0.30 C ATOM 970 O GLN A 65 -6.822 0.734 -6.971 1.00 0.34 O ATOM 971 CB GLN A 65 -9.636 -0.772 -6.500 1.00 0.37 C ATOM 972 CG GLN A 65 -10.690 0.329 -6.536 1.00 0.42 C ATOM 973 CD GLN A 65 -11.686 0.070 -7.658 1.00 0.78 C ATOM 974 OE1 GLN A 65 -11.950 -1.077 -8.016 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.242 1.139 -8.216 1.00 0.82 N ATOM 0 H GLN A 65 -9.913 -0.097 -4.136 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.746 -1.218 -5.601 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.285 -0.974 -7.512 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.084 -1.694 -6.128 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.212 0.374 -5.580 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.210 1.297 -6.683 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.994 2.073 -7.888 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.917 1.027 -8.973 1.00 0.82 H new ATOM 984 N GLN A 66 -8.220 2.017 -5.760 1.00 0.29 N ATOM 985 CA GLN A 66 -7.640 3.275 -6.212 1.00 0.31 C ATOM 986 C GLN A 66 -6.255 3.459 -5.607 1.00 0.29 C ATOM 987 O GLN A 66 -5.260 3.550 -6.327 1.00 0.36 O ATOM 988 CB GLN A 66 -8.541 4.440 -5.810 1.00 0.35 C ATOM 989 CG GLN A 66 -8.856 5.344 -6.998 1.00 0.79 C ATOM 990 CD GLN A 66 -9.427 6.670 -6.515 1.00 1.10 C ATOM 991 OE1 GLN A 66 -8.852 7.732 -6.759 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.561 6.611 -5.828 1.00 1.31 N ATOM 0 H GLN A 66 -8.995 2.122 -5.105 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.552 3.252 -7.298 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.470 4.054 -5.390 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.055 5.023 -5.028 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -7.951 5.520 -7.580 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -9.569 4.852 -7.659 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.003 5.709 -5.649 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -10.991 7.468 -5.479 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.195 3.500 -4.280 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.930 3.660 -3.575 1.00 0.27 C ATOM 1003 C ALA A 67 -3.961 2.561 -3.989 1.00 0.26 C ATOM 1004 O ALA A 67 -2.747 2.762 -4.012 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.161 3.610 -2.067 1.00 0.29 C ATOM 0 H ALA A 67 -7.010 3.424 -3.671 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.501 4.628 -3.835 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.210 3.730 -1.549 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.837 4.414 -1.776 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.602 2.650 -1.798 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.511 1.397 -4.325 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.704 0.261 -4.750 1.00 0.28 C ATOM 1013 C LYS A 68 -2.931 0.613 -6.015 1.00 0.31 C ATOM 1014 O LYS A 68 -1.729 0.875 -5.966 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.604 -0.948 -5.000 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.822 -2.143 -5.535 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.598 -2.880 -6.624 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.671 -3.411 -7.713 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.423 -3.717 -8.963 1.00 0.88 N ATOM 0 H LYS A 68 -5.515 1.217 -4.310 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.991 0.015 -3.963 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.102 -1.227 -4.071 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.384 -0.678 -5.711 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.866 -1.804 -5.935 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.600 -2.829 -4.718 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.151 -3.708 -6.180 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -5.332 -2.207 -7.067 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.895 -2.675 -7.924 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.169 -4.311 -7.359 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.766 -4.076 -9.685 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.147 -4.437 -8.765 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.882 -2.852 -9.313 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.629 0.622 -7.146 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.012 0.946 -8.426 1.00 0.43 C ATOM 1035 C ARG A 69 -2.221 2.246 -8.323 1.00 0.42 C ATOM 1036 O ARG A 69 -1.206 2.421 -8.998 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.085 1.080 -9.503 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.473 1.171 -10.897 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.533 1.043 -11.987 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.396 -0.234 -12.679 1.00 1.81 N ATOM 1041 CZ ARG A 69 -5.359 -0.713 -13.458 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -6.627 -0.627 -13.079 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -5.055 -1.280 -14.618 1.00 2.98 N ATOM 0 H ARG A 69 -4.625 0.408 -7.201 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.330 0.140 -8.696 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -4.758 0.224 -9.456 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.686 1.969 -9.310 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -2.953 2.123 -11.005 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -2.728 0.385 -11.020 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.527 1.121 -11.548 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -4.433 1.863 -12.699 1.00 1.36 H new ATOM 0 HE ARG A 69 -3.538 -0.773 -12.561 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -6.864 -0.192 -12.187 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -7.365 -0.996 -13.679 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -4.081 -1.348 -14.912 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -5.795 -1.648 -15.216 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.690 3.152 -7.471 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.025 4.435 -7.273 1.00 0.43 C ATOM 1059 C GLU A 70 -0.649 4.230 -6.654 1.00 0.44 C ATOM 1060 O GLU A 70 0.344 4.782 -7.128 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.873 5.328 -6.371 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.347 6.761 -6.346 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.154 7.637 -7.296 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.657 7.109 -8.309 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -3.280 8.850 -7.025 1.00 1.38 O ATOM 0 H GLU A 70 -3.529 3.021 -6.906 1.00 0.40 H new ATOM 0 HA GLU A 70 -1.904 4.918 -8.243 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.905 5.325 -6.721 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.878 4.924 -5.359 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.407 7.160 -5.333 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.295 6.775 -6.633 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.598 3.432 -5.593 1.00 0.40 N ATOM 1073 CA LEU A 71 0.656 3.150 -4.906 1.00 0.47 C ATOM 1074 C LEU A 71 1.691 2.613 -5.886 1.00 0.52 C ATOM 1075 O LEU A 71 2.843 3.043 -5.886 1.00 0.60 O ATOM 1076 CB LEU A 71 0.426 2.134 -3.792 1.00 0.51 C ATOM 1077 CG LEU A 71 -0.205 2.779 -2.561 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.977 1.745 -1.746 1.00 1.08 C ATOM 1079 CD2 LEU A 71 0.859 3.459 -1.703 1.00 1.15 C ATOM 0 H LEU A 71 -1.412 2.969 -5.190 1.00 0.40 H new ATOM 0 HA LEU A 71 1.029 4.078 -4.474 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.220 1.335 -4.156 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.376 1.675 -3.516 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.908 3.541 -2.898 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.419 2.226 -0.873 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.767 1.313 -2.361 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.298 0.957 -1.421 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.388 3.912 -0.831 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.591 2.720 -1.377 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.359 4.231 -2.288 1.00 1.15 H new ATOM 1091 N LEU A 72 1.272 1.666 -6.718 1.00 0.52 N ATOM 1092 CA LEU A 72 2.162 1.063 -7.705 1.00 0.63 C ATOM 1093 C LEU A 72 2.493 2.056 -8.813 1.00 0.67 C ATOM 1094 O LEU A 72 3.654 2.409 -9.017 1.00 0.83 O ATOM 1095 CB LEU A 72 1.505 -0.178 -8.300 1.00 0.66 C ATOM 1096 CG LEU A 72 2.526 -1.278 -8.581 1.00 0.88 C ATOM 1097 CD1 LEU A 72 1.827 -2.572 -8.985 1.00 1.04 C ATOM 1098 CD2 LEU A 72 3.512 -0.836 -9.659 1.00 1.99 C ATOM 0 H LEU A 72 0.321 1.299 -6.729 1.00 0.52 H new ATOM 0 HA LEU A 72 3.090 0.780 -7.208 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.746 -0.553 -7.613 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.994 0.089 -9.225 1.00 0.66 H new ATOM 0 HG LEU A 72 3.086 -1.466 -7.665 1.00 0.88 H new ATOM 0 HD11 LEU A 72 2.573 -3.343 -9.181 1.00 1.04 H new ATOM 0 HD12 LEU A 72 1.171 -2.898 -8.178 1.00 1.04 H new ATOM 0 HD13 LEU A 72 1.237 -2.401 -9.885 1.00 1.04 H new ATOM 0 HD21 LEU A 72 4.231 -1.634 -9.844 1.00 1.99 H new ATOM 0 HD22 LEU A 72 2.971 -0.615 -10.579 1.00 1.99 H new ATOM 0 HD23 LEU A 72 4.040 0.057 -9.325 1.00 1.99 H new ATOM 1110 N GLU A 73 1.466 2.498 -9.531 1.00 0.64 N ATOM 1111 CA GLU A 73 1.644 3.447 -10.625 1.00 0.74 C ATOM 1112 C GLU A 73 2.464 4.650 -10.174 1.00 0.71 C ATOM 1113 O GLU A 73 3.642 4.773 -10.511 1.00 0.88 O ATOM 1114 CB GLU A 73 0.284 3.911 -11.138 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.321 2.907 -12.115 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.780 3.615 -13.383 1.00 1.41 C ATOM 1117 OE1 GLU A 73 0.052 4.295 -14.020 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -1.971 3.488 -13.739 1.00 2.01 O ATOM 0 H GLU A 73 0.499 2.214 -9.375 1.00 0.64 H new ATOM 0 HA GLU A 73 2.183 2.945 -11.429 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.394 4.054 -10.296 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.391 4.878 -11.629 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.415 2.142 -12.363 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.165 2.398 -11.649 1.00 1.00 H new ATOM 1125 N LEU A 74 1.832 5.541 -9.417 1.00 0.64 N ATOM 1126 CA LEU A 74 2.498 6.741 -8.927 1.00 0.71 C ATOM 1127 C LEU A 74 3.549 6.389 -7.881 1.00 0.82 C ATOM 1128 O LEU A 74 4.741 6.623 -8.082 1.00 1.13 O ATOM 1129 CB LEU A 74 1.470 7.697 -8.328 1.00 0.85 C ATOM 1130 CG LEU A 74 0.548 8.273 -9.401 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.411 9.294 -8.796 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.358 8.899 -10.531 1.00 1.32 C ATOM 0 H LEU A 74 0.857 5.454 -9.129 1.00 0.64 H new ATOM 0 HA LEU A 74 2.997 7.225 -9.767 1.00 0.71 H new ATOM 0 HB2 LEU A 74 0.876 7.172 -7.580 1.00 0.85 H new ATOM 0 HB3 LEU A 74 1.984 8.509 -7.814 1.00 0.85 H new ATOM 0 HG LEU A 74 -0.041 7.456 -9.817 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.059 9.692 -9.577 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -1.019 8.813 -8.030 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.159 10.108 -8.348 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.681 9.303 -11.284 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.978 9.702 -10.133 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.995 8.140 -10.986 1.00 1.32 H new ATOM 1144 N ALA A 75 3.102 5.825 -6.764 1.00 0.78 N ATOM 1145 CA ALA A 75 4.005 5.442 -5.687 1.00 0.99 C ATOM 1146 C ALA A 75 4.673 6.672 -5.082 1.00 1.70 C ATOM 1147 O ALA A 75 5.742 7.091 -5.526 1.00 2.16 O ATOM 1148 CB ALA A 75 5.068 4.484 -6.216 1.00 1.14 C ATOM 0 H ALA A 75 2.119 5.623 -6.582 1.00 0.78 H new ATOM 0 HA ALA A 75 3.425 4.944 -4.910 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.740 4.202 -5.405 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.587 3.591 -6.616 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.638 4.973 -7.006 1.00 1.14 H new ATOM 1154 N SER A 76 4.034 7.246 -4.068 1.00 2.17 N ATOM 1155 CA SER A 76 4.563 8.430 -3.401 1.00 3.01 C ATOM 1156 C SER A 76 5.961 8.158 -2.857 1.00 3.57 C ATOM 1157 O SER A 76 6.484 7.049 -3.089 1.00 4.23 O ATOM 1158 CB SER A 76 3.637 8.842 -2.262 1.00 3.63 C ATOM 1159 OG SER A 76 3.829 10.213 -1.940 1.00 4.36 O ATOM 1160 OXT SER A 76 6.529 9.056 -2.201 1.00 3.89 O ATOM 0 H SER A 76 3.148 6.910 -3.690 1.00 2.17 H new ATOM 0 HA SER A 76 4.623 9.240 -4.128 1.00 3.01 H new ATOM 0 HB2 SER A 76 2.599 8.671 -2.548 1.00 3.63 H new ATOM 0 HB3 SER A 76 3.832 8.225 -1.385 1.00 3.63 H new ATOM 0 HG SER A 76 4.789 10.406 -1.890 1.00 4.36 H new TER 1166 SER A 76