USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 699 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 THR OG1 : rot 180:sc= -0.267 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= -0.0295 USER MOD Set 2.1: A 59 GLN : amide:sc= -0.553 K(o=-4.4,f=-3.4) USER MOD Set 2.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 64 GLN : amide:sc= -3.8! C(o=-4.4!,f=-3.4!) USER MOD Set 3.1: A 13 SER OG : rot -94:sc= 0.0512 USER MOD Set 3.2: A 60 GLN : amide:sc= 0.0504 X(o=0.1,f=0.42) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.472 (180deg=-2.18!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.59) USER MOD Single : A 8 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.82) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 81:sc= 0.238 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.513 K(o=-0.51,f=-0.0027) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0276 USER MOD Single : A 36 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.52) USER MOD Single : A 38 ASN : amide:sc= -4.18! K(o=-4.2!,f=-1.6) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= -0.164 (180deg=-0.741) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -4.7! C(o=-4.7!,f=-1.5!) USER MOD Single : A 57 SER OG : rot 78:sc= -1.45! USER MOD Single : A 63 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.4) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -55:sc= 0.198 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.095 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 21:sc= 1.52 USER MOD Single : A 81 SER OG : rot -60:sc= 0.269 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc=-0.00134 X(o=-0.0013,f=-0.18) USER MOD Single : A 86 HIS : no HE2:sc= -0.0314 K(o=-0.031,f=-0.62) USER MOD Single : A 87 HIS : no HD1:sc= 0.0104 K(o=0.01,f=-0.87) USER MOD Single : A 88 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.52) USER MOD Single : A 89 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.829 -1.840 -6.225 1.00 0.00 N ATOM 2 CA MET A 1 -24.118 -2.144 -4.955 1.00 0.00 C ATOM 3 C MET A 1 -22.661 -2.518 -5.215 1.00 0.00 C ATOM 4 O MET A 1 -22.151 -2.331 -6.320 1.00 0.00 O ATOM 5 CB MET A 1 -24.842 -3.296 -4.252 1.00 0.00 C ATOM 6 CG MET A 1 -26.354 -3.253 -4.409 1.00 0.00 C ATOM 7 SD MET A 1 -27.221 -3.348 -2.830 1.00 0.00 S ATOM 8 CE MET A 1 -28.916 -3.110 -3.361 1.00 0.00 C ATOM 0 H1 MET A 1 -25.631 -1.207 -6.031 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.175 -1.376 -6.887 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.179 -2.724 -6.647 1.00 0.00 H new ATOM 0 HA MET A 1 -24.122 -1.257 -4.322 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.471 -4.242 -4.647 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.595 -3.275 -3.191 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.636 -2.332 -4.919 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.673 -4.079 -5.044 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.577 -3.143 -2.495 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.011 -2.142 -3.853 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.193 -3.900 -4.059 1.00 0.00 H new ATOM 20 N ARG A 2 -21.999 -3.046 -4.189 1.00 0.00 N ATOM 21 CA ARG A 2 -20.600 -3.446 -4.306 1.00 0.00 C ATOM 22 C ARG A 2 -20.361 -4.789 -3.622 1.00 0.00 C ATOM 23 O ARG A 2 -20.724 -4.977 -2.461 1.00 0.00 O ATOM 24 CB ARG A 2 -19.689 -2.380 -3.695 1.00 0.00 C ATOM 25 CG ARG A 2 -18.933 -1.560 -4.729 1.00 0.00 C ATOM 26 CD ARG A 2 -19.642 -0.250 -5.032 1.00 0.00 C ATOM 27 NE ARG A 2 -20.037 0.457 -3.816 1.00 0.00 N ATOM 28 CZ ARG A 2 -20.241 1.771 -3.757 1.00 0.00 C ATOM 29 NH1 ARG A 2 -20.076 2.521 -4.839 1.00 0.00 N ATOM 30 NH2 ARG A 2 -20.609 2.336 -2.616 1.00 0.00 N ATOM 0 H ARG A 2 -22.408 -3.207 -3.269 1.00 0.00 H new ATOM 0 HA ARG A 2 -20.365 -3.550 -5.365 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -20.290 -1.710 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -18.972 -2.864 -3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -17.926 -1.354 -4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -18.828 -2.138 -5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -18.986 0.388 -5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -20.526 -0.449 -5.638 1.00 0.00 H new ATOM 0 HE ARG A 2 -20.164 -0.088 -2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -19.792 2.091 -5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -20.233 3.528 -4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -20.736 1.764 -1.781 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -20.765 3.343 -2.573 1.00 0.00 H new ATOM 44 N GLY A 3 -19.748 -5.717 -4.349 1.00 0.00 N ATOM 45 CA GLY A 3 -19.471 -7.029 -3.797 1.00 0.00 C ATOM 46 C GLY A 3 -18.826 -7.960 -4.806 1.00 0.00 C ATOM 47 O GLY A 3 -19.492 -8.461 -5.712 1.00 0.00 O ATOM 0 H GLY A 3 -19.438 -5.583 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -18.815 -6.925 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -20.400 -7.473 -3.440 1.00 0.00 H new ATOM 51 N SER A 4 -17.527 -8.190 -4.648 1.00 0.00 N ATOM 52 CA SER A 4 -16.789 -9.066 -5.550 1.00 0.00 C ATOM 53 C SER A 4 -15.600 -9.699 -4.835 1.00 0.00 C ATOM 54 O SER A 4 -14.865 -9.024 -4.114 1.00 0.00 O ATOM 55 CB SER A 4 -16.307 -8.288 -6.775 1.00 0.00 C ATOM 56 OG SER A 4 -15.324 -9.017 -7.489 1.00 0.00 O ATOM 0 H SER A 4 -16.963 -7.781 -3.903 1.00 0.00 H new ATOM 0 HA SER A 4 -17.461 -9.859 -5.877 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.152 -8.074 -7.429 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.896 -7.328 -6.461 1.00 0.00 H new ATOM 0 HG SER A 4 -15.034 -8.498 -8.268 1.00 0.00 H new ATOM 62 N ASN A 5 -15.420 -11.000 -5.034 1.00 0.00 N ATOM 63 CA ASN A 5 -14.323 -11.724 -4.404 1.00 0.00 C ATOM 64 C ASN A 5 -13.275 -12.137 -5.433 1.00 0.00 C ATOM 65 O ASN A 5 -13.494 -12.027 -6.639 1.00 0.00 O ATOM 66 CB ASN A 5 -14.852 -12.960 -3.677 1.00 0.00 C ATOM 67 CG ASN A 5 -16.021 -13.601 -4.399 1.00 0.00 C ATOM 68 OD1 ASN A 5 -17.160 -13.150 -4.281 1.00 0.00 O ATOM 69 ND2 ASN A 5 -15.744 -14.658 -5.152 1.00 0.00 N ATOM 0 H ASN A 5 -16.020 -11.574 -5.626 1.00 0.00 H new ATOM 0 HA ASN A 5 -13.852 -11.057 -3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -14.048 -13.689 -3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -15.160 -12.681 -2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -16.490 -15.131 -5.662 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -14.785 -14.998 -5.221 1.00 0.00 H new ATOM 76 N ALA A 6 -12.134 -12.614 -4.944 1.00 0.00 N ATOM 77 CA ALA A 6 -11.047 -13.046 -5.814 1.00 0.00 C ATOM 78 C ALA A 6 -10.294 -14.227 -5.204 1.00 0.00 C ATOM 79 O ALA A 6 -9.812 -14.147 -4.074 1.00 0.00 O ATOM 80 CB ALA A 6 -10.094 -11.890 -6.080 1.00 0.00 C ATOM 0 H ALA A 6 -11.939 -12.711 -3.948 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.478 -13.372 -6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.287 -12.226 -6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.635 -11.076 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.677 -11.538 -5.137 1.00 0.00 H new ATOM 86 N PRO A 7 -10.183 -15.346 -5.946 1.00 0.00 N ATOM 87 CA PRO A 7 -9.486 -16.546 -5.467 1.00 0.00 C ATOM 88 C PRO A 7 -8.037 -16.266 -5.083 1.00 0.00 C ATOM 89 O PRO A 7 -7.313 -15.581 -5.806 1.00 0.00 O ATOM 90 CB PRO A 7 -9.543 -17.501 -6.665 1.00 0.00 C ATOM 91 CG PRO A 7 -10.694 -17.023 -7.481 1.00 0.00 C ATOM 92 CD PRO A 7 -10.730 -15.533 -7.302 1.00 0.00 C ATOM 0 HA PRO A 7 -9.948 -16.945 -4.564 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.615 -17.474 -7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.689 -18.532 -6.342 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.566 -17.288 -8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.626 -17.480 -7.148 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.128 -15.022 -8.053 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.744 -15.141 -7.385 1.00 0.00 H new ATOM 100 N GLN A 8 -7.621 -16.803 -3.940 1.00 0.00 N ATOM 101 CA GLN A 8 -6.257 -16.618 -3.456 1.00 0.00 C ATOM 102 C GLN A 8 -5.654 -17.952 -3.016 1.00 0.00 C ATOM 103 O GLN A 8 -5.946 -18.441 -1.924 1.00 0.00 O ATOM 104 CB GLN A 8 -6.234 -15.625 -2.291 1.00 0.00 C ATOM 105 CG GLN A 8 -7.044 -14.365 -2.547 1.00 0.00 C ATOM 106 CD GLN A 8 -6.222 -13.100 -2.392 1.00 0.00 C ATOM 107 OE1 GLN A 8 -5.296 -13.043 -1.583 1.00 0.00 O ATOM 108 NE2 GLN A 8 -6.559 -12.076 -3.168 1.00 0.00 N ATOM 0 H GLN A 8 -8.210 -17.371 -3.331 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.658 -16.218 -4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.617 -16.118 -1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.201 -15.346 -2.083 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.459 -14.403 -3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.887 -14.333 -1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.334 -12.167 -3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.043 -11.198 -3.107 1.00 0.00 H new ATOM 117 N PRO A 9 -4.805 -18.562 -3.862 1.00 0.00 N ATOM 118 CA PRO A 9 -4.167 -19.846 -3.551 1.00 0.00 C ATOM 119 C PRO A 9 -3.129 -19.728 -2.439 1.00 0.00 C ATOM 120 O PRO A 9 -3.122 -20.521 -1.497 1.00 0.00 O ATOM 121 CB PRO A 9 -3.492 -20.238 -4.868 1.00 0.00 C ATOM 122 CG PRO A 9 -3.253 -18.945 -5.567 1.00 0.00 C ATOM 123 CD PRO A 9 -4.402 -18.052 -5.188 1.00 0.00 C ATOM 0 HA PRO A 9 -4.889 -20.579 -3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.558 -20.772 -4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.129 -20.896 -5.459 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.302 -18.507 -5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.209 -19.087 -6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.100 -17.006 -5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.217 -18.117 -5.909 1.00 0.00 H new ATOM 131 N SER A 10 -2.252 -18.735 -2.556 1.00 0.00 N ATOM 132 CA SER A 10 -1.210 -18.516 -1.561 1.00 0.00 C ATOM 133 C SER A 10 -1.129 -17.042 -1.178 1.00 0.00 C ATOM 134 O SER A 10 -1.826 -16.204 -1.749 1.00 0.00 O ATOM 135 CB SER A 10 0.143 -18.991 -2.093 1.00 0.00 C ATOM 136 OG SER A 10 0.196 -20.406 -2.162 1.00 0.00 O ATOM 0 H SER A 10 -2.243 -18.070 -3.330 1.00 0.00 H new ATOM 0 HA SER A 10 -1.464 -19.093 -0.672 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.317 -18.569 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.940 -18.625 -1.446 1.00 0.00 H new ATOM 0 HG SER A 10 1.070 -20.684 -2.507 1.00 0.00 H new ATOM 142 N HIS A 11 -0.275 -16.735 -0.207 1.00 0.00 N ATOM 143 CA HIS A 11 -0.104 -15.361 0.251 1.00 0.00 C ATOM 144 C HIS A 11 1.287 -15.144 0.837 1.00 0.00 C ATOM 145 O HIS A 11 1.877 -16.054 1.419 1.00 0.00 O ATOM 146 CB HIS A 11 -1.168 -15.011 1.295 1.00 0.00 C ATOM 147 CG HIS A 11 -1.435 -16.110 2.275 1.00 0.00 C ATOM 148 ND1 HIS A 11 -2.500 -16.964 2.122 1.00 0.00 N ATOM 149 CD2 HIS A 11 -0.757 -16.447 3.401 1.00 0.00 C ATOM 150 CE1 HIS A 11 -2.450 -17.795 3.148 1.00 0.00 C ATOM 151 NE2 HIS A 11 -1.410 -17.520 3.951 1.00 0.00 N ATOM 0 H HIS A 11 0.308 -17.418 0.277 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.219 -14.705 -0.612 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.852 -14.121 1.839 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.097 -14.759 0.783 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.127 -15.963 3.789 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -3.156 -18.594 3.319 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.155 -18.014 4.806 1.00 0.00 H new ATOM 159 N ILE A 12 1.800 -13.930 0.679 1.00 0.00 N ATOM 160 CA ILE A 12 3.119 -13.578 1.191 1.00 0.00 C ATOM 161 C ILE A 12 3.105 -13.495 2.715 1.00 0.00 C ATOM 162 O ILE A 12 2.066 -13.230 3.320 1.00 0.00 O ATOM 163 CB ILE A 12 3.594 -12.228 0.615 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.885 -11.766 1.296 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.504 -11.179 0.771 1.00 0.00 C ATOM 166 CD1 ILE A 12 6.019 -11.514 0.330 1.00 0.00 C ATOM 0 H ILE A 12 1.320 -13.169 0.198 1.00 0.00 H new ATOM 0 HA ILE A 12 3.809 -14.362 0.879 1.00 0.00 H new ATOM 0 HB ILE A 12 3.803 -12.362 -0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.685 -10.852 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.195 -12.520 2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.851 -10.230 0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.610 -11.501 0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.269 -11.053 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.901 -11.190 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.247 -12.432 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.728 -10.738 -0.378 1.00 0.00 H new ATOM 178 N SER A 13 4.267 -13.714 3.328 1.00 0.00 N ATOM 179 CA SER A 13 4.389 -13.652 4.777 1.00 0.00 C ATOM 180 C SER A 13 3.828 -12.334 5.302 1.00 0.00 C ATOM 181 O SER A 13 3.140 -12.305 6.322 1.00 0.00 O ATOM 182 CB SER A 13 5.853 -13.805 5.195 1.00 0.00 C ATOM 183 OG SER A 13 6.325 -15.115 4.933 1.00 0.00 O ATOM 0 H SER A 13 5.135 -13.936 2.841 1.00 0.00 H new ATOM 0 HA SER A 13 3.814 -14.472 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.465 -13.081 4.658 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.956 -13.584 6.257 1.00 0.00 H new ATOM 0 HG SER A 13 6.226 -15.666 5.738 1.00 0.00 H new ATOM 189 N LYS A 14 4.120 -11.243 4.591 1.00 0.00 N ATOM 190 CA LYS A 14 3.634 -9.925 4.986 1.00 0.00 C ATOM 191 C LYS A 14 3.935 -8.868 3.921 1.00 0.00 C ATOM 192 O LYS A 14 4.935 -8.951 3.210 1.00 0.00 O ATOM 193 CB LYS A 14 4.254 -9.510 6.325 1.00 0.00 C ATOM 194 CG LYS A 14 5.716 -9.109 6.223 1.00 0.00 C ATOM 195 CD LYS A 14 6.516 -9.601 7.420 1.00 0.00 C ATOM 196 CE LYS A 14 7.563 -8.586 7.843 1.00 0.00 C ATOM 197 NZ LYS A 14 8.378 -9.072 8.992 1.00 0.00 N ATOM 0 H LYS A 14 4.688 -11.248 3.744 1.00 0.00 H new ATOM 0 HA LYS A 14 2.551 -9.992 5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.685 -8.676 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.161 -10.336 7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.143 -9.517 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.792 -8.024 6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.842 -9.799 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.002 -10.545 7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.218 -8.368 7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.073 -7.651 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.081 -8.350 9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.756 -9.256 9.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.867 -9.950 8.724 1.00 0.00 H new ATOM 211 N TYR A 15 3.057 -7.870 3.833 1.00 0.00 N ATOM 212 CA TYR A 15 3.207 -6.773 2.877 1.00 0.00 C ATOM 213 C TYR A 15 3.626 -5.500 3.612 1.00 0.00 C ATOM 214 O TYR A 15 3.056 -5.165 4.645 1.00 0.00 O ATOM 215 CB TYR A 15 1.880 -6.527 2.144 1.00 0.00 C ATOM 216 CG TYR A 15 1.897 -6.869 0.667 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.813 -6.280 -0.195 1.00 0.00 C ATOM 218 CD2 TYR A 15 0.981 -7.767 0.134 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.818 -6.578 -1.546 1.00 0.00 C ATOM 220 CE2 TYR A 15 0.979 -8.071 -1.214 1.00 0.00 C ATOM 221 CZ TYR A 15 1.899 -7.473 -2.049 1.00 0.00 C ATOM 222 OH TYR A 15 1.899 -7.771 -3.393 1.00 0.00 O ATOM 0 H TYR A 15 2.225 -7.799 4.419 1.00 0.00 H new ATOM 0 HA TYR A 15 3.973 -7.042 2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.099 -7.112 2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.608 -5.477 2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.534 -5.577 0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.258 -8.236 0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.538 -6.112 -2.202 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.261 -8.773 -1.611 1.00 0.00 H new ATOM 0 HH TYR A 15 2.597 -8.432 -3.581 1.00 0.00 H new ATOM 232 N ILE A 16 4.618 -4.791 3.082 1.00 0.00 N ATOM 233 CA ILE A 16 5.088 -3.559 3.715 1.00 0.00 C ATOM 234 C ILE A 16 4.804 -2.348 2.838 1.00 0.00 C ATOM 235 O ILE A 16 5.287 -2.257 1.712 1.00 0.00 O ATOM 236 CB ILE A 16 6.603 -3.616 4.026 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.844 -4.339 5.355 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.209 -2.213 4.060 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.569 -3.483 6.576 1.00 0.00 C ATOM 0 H ILE A 16 5.109 -5.043 2.224 1.00 0.00 H new ATOM 0 HA ILE A 16 4.541 -3.462 4.653 1.00 0.00 H new ATOM 0 HB ILE A 16 7.095 -4.174 3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.212 -5.226 5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.878 -4.682 5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.274 -2.282 4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.069 -1.733 3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.716 -1.622 4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.762 -4.063 7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.219 -2.608 6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.528 -3.161 6.568 1.00 0.00 H new ATOM 251 N LEU A 17 4.029 -1.412 3.371 1.00 0.00 N ATOM 252 CA LEU A 17 3.688 -0.200 2.644 1.00 0.00 C ATOM 253 C LEU A 17 4.491 0.977 3.176 1.00 0.00 C ATOM 254 O LEU A 17 4.326 1.385 4.326 1.00 0.00 O ATOM 255 CB LEU A 17 2.193 0.093 2.776 1.00 0.00 C ATOM 256 CG LEU A 17 1.499 0.520 1.483 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.126 -0.123 1.376 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.381 2.036 1.417 1.00 0.00 C ATOM 0 H LEU A 17 3.625 -1.471 4.306 1.00 0.00 H new ATOM 0 HA LEU A 17 3.930 -0.348 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.696 -0.798 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.057 0.878 3.520 1.00 0.00 H new ATOM 0 HG LEU A 17 2.104 0.183 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.353 0.193 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.231 -1.208 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.487 0.184 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.884 2.322 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.798 2.393 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.376 2.480 1.448 1.00 0.00 H new ATOM 270 N ARG A 18 5.361 1.519 2.333 1.00 0.00 N ATOM 271 CA ARG A 18 6.192 2.650 2.716 1.00 0.00 C ATOM 272 C ARG A 18 5.858 3.868 1.870 1.00 0.00 C ATOM 273 O ARG A 18 5.815 3.785 0.645 1.00 0.00 O ATOM 274 CB ARG A 18 7.673 2.299 2.562 1.00 0.00 C ATOM 275 CG ARG A 18 8.087 1.059 3.337 1.00 0.00 C ATOM 276 CD ARG A 18 9.147 0.267 2.589 1.00 0.00 C ATOM 277 NE ARG A 18 10.462 0.389 3.210 1.00 0.00 N ATOM 278 CZ ARG A 18 11.246 -0.648 3.486 1.00 0.00 C ATOM 279 NH1 ARG A 18 10.846 -1.880 3.203 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.433 -0.456 4.045 1.00 0.00 N ATOM 0 H ARG A 18 5.508 1.192 1.378 1.00 0.00 H new ATOM 0 HA ARG A 18 5.991 2.884 3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.894 2.148 1.505 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.275 3.144 2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.470 1.350 4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.215 0.429 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.858 -0.783 2.556 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.200 0.616 1.558 1.00 0.00 H new ATOM 0 HE ARG A 18 10.798 1.323 3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.934 -2.034 2.772 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.450 -2.674 3.416 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.746 0.490 4.264 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.033 -1.254 4.256 1.00 0.00 H new ATOM 294 N TRP A 19 5.622 4.998 2.525 1.00 0.00 N ATOM 295 CA TRP A 19 5.294 6.223 1.813 1.00 0.00 C ATOM 296 C TRP A 19 5.672 7.457 2.622 1.00 0.00 C ATOM 297 O TRP A 19 5.821 7.398 3.845 1.00 0.00 O ATOM 298 CB TRP A 19 3.804 6.255 1.460 1.00 0.00 C ATOM 299 CG TRP A 19 2.905 6.489 2.636 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.315 7.667 2.993 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.489 5.521 3.606 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.559 7.492 4.126 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.650 6.183 4.523 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.745 4.160 3.789 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.065 5.529 5.604 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.163 3.512 4.864 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.331 4.195 5.758 1.00 0.00 C ATOM 0 H TRP A 19 5.652 5.090 3.540 1.00 0.00 H new ATOM 0 HA TRP A 19 5.876 6.236 0.892 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.632 7.039 0.723 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.532 5.310 0.990 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.427 8.601 2.462 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.018 8.218 4.596 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.385 3.624 3.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.424 6.055 6.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.354 2.460 5.016 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.890 3.659 6.586 1.00 0.00 H new ATOM 318 N ARG A 20 5.828 8.572 1.915 1.00 0.00 N ATOM 319 CA ARG A 20 6.190 9.844 2.526 1.00 0.00 C ATOM 320 C ARG A 20 5.804 10.992 1.592 1.00 0.00 C ATOM 321 O ARG A 20 5.561 10.770 0.405 1.00 0.00 O ATOM 322 CB ARG A 20 7.696 9.877 2.829 1.00 0.00 C ATOM 323 CG ARG A 20 8.526 10.596 1.775 1.00 0.00 C ATOM 324 CD ARG A 20 9.709 9.756 1.325 1.00 0.00 C ATOM 325 NE ARG A 20 9.733 9.583 -0.125 1.00 0.00 N ATOM 326 CZ ARG A 20 10.784 9.871 -0.886 1.00 0.00 C ATOM 327 NH1 ARG A 20 11.895 10.346 -0.339 1.00 0.00 N ATOM 328 NH2 ARG A 20 10.723 9.685 -2.198 1.00 0.00 N ATOM 0 H ARG A 20 5.707 8.618 0.903 1.00 0.00 H new ATOM 0 HA ARG A 20 5.649 9.958 3.466 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.851 10.363 3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.059 8.854 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.898 10.831 0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.884 11.544 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.635 10.230 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.665 8.779 1.807 1.00 0.00 H new ATOM 0 HE ARG A 20 8.895 9.220 -0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.945 10.492 0.669 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.699 10.566 -0.927 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.870 9.321 -2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.529 9.906 -2.782 1.00 0.00 H new ATOM 342 N PRO A 21 5.740 12.237 2.100 1.00 0.00 N ATOM 343 CA PRO A 21 5.381 13.395 1.275 1.00 0.00 C ATOM 344 C PRO A 21 6.324 13.552 0.086 1.00 0.00 C ATOM 345 O PRO A 21 7.516 13.807 0.257 1.00 0.00 O ATOM 346 CB PRO A 21 5.525 14.583 2.232 1.00 0.00 C ATOM 347 CG PRO A 21 5.416 13.993 3.597 1.00 0.00 C ATOM 348 CD PRO A 21 6.008 12.617 3.499 1.00 0.00 C ATOM 0 HA PRO A 21 4.382 13.303 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.482 15.087 2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.746 15.326 2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.953 14.598 4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.376 13.949 3.922 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.076 12.621 3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.541 11.926 4.201 1.00 0.00 H new ATOM 356 N LYS A 22 5.782 13.382 -1.118 1.00 0.00 N ATOM 357 CA LYS A 22 6.569 13.489 -2.343 1.00 0.00 C ATOM 358 C LYS A 22 7.379 14.782 -2.372 1.00 0.00 C ATOM 359 O LYS A 22 8.468 14.830 -2.945 1.00 0.00 O ATOM 360 CB LYS A 22 5.654 13.421 -3.567 1.00 0.00 C ATOM 361 CG LYS A 22 6.339 12.880 -4.811 1.00 0.00 C ATOM 362 CD LYS A 22 5.405 12.889 -6.011 1.00 0.00 C ATOM 363 CE LYS A 22 5.851 13.899 -7.056 1.00 0.00 C ATOM 364 NZ LYS A 22 4.951 13.904 -8.242 1.00 0.00 N ATOM 0 H LYS A 22 4.796 13.169 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 22 7.266 12.651 -2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.795 12.792 -3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.270 14.419 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.222 13.480 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.683 11.863 -4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.372 11.894 -6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.393 13.125 -5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.873 14.895 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.868 13.669 -7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.289 14.606 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.949 12.961 -8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.985 14.149 -7.944 1.00 0.00 H new ATOM 378 N ASN A 23 6.844 15.829 -1.750 1.00 0.00 N ATOM 379 CA ASN A 23 7.524 17.119 -1.707 1.00 0.00 C ATOM 380 C ASN A 23 8.757 17.053 -0.811 1.00 0.00 C ATOM 381 O ASN A 23 9.785 17.662 -1.106 1.00 0.00 O ATOM 382 CB ASN A 23 6.573 18.208 -1.208 1.00 0.00 C ATOM 383 CG ASN A 23 7.190 19.592 -1.284 1.00 0.00 C ATOM 384 OD1 ASN A 23 7.103 20.376 -0.340 1.00 0.00 O ATOM 385 ND2 ASN A 23 7.818 19.898 -2.414 1.00 0.00 N ATOM 0 H ASN A 23 5.944 15.809 -1.270 1.00 0.00 H new ATOM 0 HA ASN A 23 7.844 17.366 -2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.658 18.188 -1.801 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.290 17.995 -0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.252 20.814 -2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.866 19.217 -3.172 1.00 0.00 H new ATOM 392 N SER A 24 8.646 16.308 0.285 1.00 0.00 N ATOM 393 CA SER A 24 9.749 16.158 1.228 1.00 0.00 C ATOM 394 C SER A 24 10.621 14.961 0.857 1.00 0.00 C ATOM 395 O SER A 24 10.392 14.307 -0.160 1.00 0.00 O ATOM 396 CB SER A 24 9.212 15.995 2.649 1.00 0.00 C ATOM 397 OG SER A 24 9.737 16.990 3.510 1.00 0.00 O ATOM 0 H SER A 24 7.801 15.798 0.542 1.00 0.00 H new ATOM 0 HA SER A 24 10.362 17.058 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.124 16.056 2.639 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.473 15.007 3.028 1.00 0.00 H new ATOM 0 HG SER A 24 9.377 16.865 4.413 1.00 0.00 H new ATOM 403 N VAL A 25 11.620 14.680 1.689 1.00 0.00 N ATOM 404 CA VAL A 25 12.525 13.561 1.446 1.00 0.00 C ATOM 405 C VAL A 25 12.668 12.684 2.685 1.00 0.00 C ATOM 406 O VAL A 25 13.561 11.839 2.758 1.00 0.00 O ATOM 407 CB VAL A 25 13.920 14.052 1.014 1.00 0.00 C ATOM 408 CG1 VAL A 25 13.845 14.766 -0.327 1.00 0.00 C ATOM 409 CG2 VAL A 25 14.522 14.960 2.076 1.00 0.00 C ATOM 0 H VAL A 25 11.823 15.211 2.536 1.00 0.00 H new ATOM 0 HA VAL A 25 12.087 12.972 0.640 1.00 0.00 H new ATOM 0 HB VAL A 25 14.569 13.184 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.840 15.105 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.462 14.081 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 25 13.179 15.625 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.507 15.296 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.875 15.824 2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 25 14.616 14.411 3.013 1.00 0.00 H new ATOM 419 N GLY A 26 11.785 12.888 3.658 1.00 0.00 N ATOM 420 CA GLY A 26 11.836 12.106 4.879 1.00 0.00 C ATOM 421 C GLY A 26 10.458 11.751 5.403 1.00 0.00 C ATOM 422 O GLY A 26 9.475 11.788 4.663 1.00 0.00 O ATOM 0 H GLY A 26 11.036 13.580 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.398 11.190 4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.378 12.665 5.642 1.00 0.00 H new ATOM 426 N ARG A 27 10.390 11.407 6.687 1.00 0.00 N ATOM 427 CA ARG A 27 9.128 11.041 7.323 1.00 0.00 C ATOM 428 C ARG A 27 8.472 9.862 6.607 1.00 0.00 C ATOM 429 O ARG A 27 7.447 10.019 5.942 1.00 0.00 O ATOM 430 CB ARG A 27 8.174 12.238 7.344 1.00 0.00 C ATOM 431 CG ARG A 27 8.813 13.518 7.858 1.00 0.00 C ATOM 432 CD ARG A 27 8.509 14.698 6.947 1.00 0.00 C ATOM 433 NE ARG A 27 8.732 15.977 7.616 1.00 0.00 N ATOM 434 CZ ARG A 27 9.938 16.473 7.879 1.00 0.00 C ATOM 435 NH1 ARG A 27 11.027 15.797 7.537 1.00 0.00 N ATOM 436 NH2 ARG A 27 10.056 17.645 8.487 1.00 0.00 N ATOM 0 H ARG A 27 11.198 11.374 7.309 1.00 0.00 H new ATOM 0 HA ARG A 27 9.345 10.741 8.348 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.798 12.409 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.314 11.995 7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.448 13.730 8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.892 13.383 7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.136 14.640 6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.473 14.640 6.612 1.00 0.00 H new ATOM 0 HE ARG A 27 7.916 16.521 7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.941 14.894 7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.950 16.180 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.222 18.167 8.754 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.981 18.024 8.688 1.00 0.00 H new ATOM 450 N TRP A 28 9.068 8.681 6.752 1.00 0.00 N ATOM 451 CA TRP A 28 8.539 7.475 6.123 1.00 0.00 C ATOM 452 C TRP A 28 7.452 6.847 6.990 1.00 0.00 C ATOM 453 O TRP A 28 7.347 7.141 8.180 1.00 0.00 O ATOM 454 CB TRP A 28 9.660 6.459 5.893 1.00 0.00 C ATOM 455 CG TRP A 28 10.424 6.675 4.621 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.682 7.193 4.502 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.983 6.377 3.290 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.052 7.232 3.179 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.026 6.738 2.416 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.810 5.840 2.754 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.931 6.578 1.036 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.717 5.681 1.383 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.771 6.048 0.538 1.00 0.00 C ATOM 0 H TRP A 28 9.916 8.534 7.299 1.00 0.00 H new ATOM 0 HA TRP A 28 8.106 7.757 5.163 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.353 6.501 6.733 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.232 5.457 5.883 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.296 7.524 5.327 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.945 7.573 2.823 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.991 5.554 3.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.743 6.862 0.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.815 5.266 0.957 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.667 5.910 -0.528 1.00 0.00 H new ATOM 474 N LYS A 29 6.651 5.972 6.387 1.00 0.00 N ATOM 475 CA LYS A 29 5.580 5.293 7.105 1.00 0.00 C ATOM 476 C LYS A 29 5.480 3.847 6.639 1.00 0.00 C ATOM 477 O LYS A 29 5.512 3.575 5.441 1.00 0.00 O ATOM 478 CB LYS A 29 4.248 6.012 6.887 1.00 0.00 C ATOM 479 CG LYS A 29 4.187 7.391 7.526 1.00 0.00 C ATOM 480 CD LYS A 29 2.877 8.095 7.211 1.00 0.00 C ATOM 481 CE LYS A 29 2.418 8.966 8.369 1.00 0.00 C ATOM 482 NZ LYS A 29 2.972 10.345 8.282 1.00 0.00 N ATOM 0 H LYS A 29 6.725 5.718 5.402 1.00 0.00 H new ATOM 0 HA LYS A 29 5.808 5.308 8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.068 6.109 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.443 5.398 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.300 7.298 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.021 7.995 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.999 8.709 6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.110 7.354 6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.329 9.013 8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.726 8.510 9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.635 10.906 9.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.011 10.303 8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.658 10.790 7.396 1.00 0.00 H new ATOM 496 N GLU A 30 5.373 2.919 7.584 1.00 0.00 N ATOM 497 CA GLU A 30 5.290 1.504 7.244 1.00 0.00 C ATOM 498 C GLU A 30 4.000 0.869 7.754 1.00 0.00 C ATOM 499 O GLU A 30 3.623 1.038 8.914 1.00 0.00 O ATOM 500 CB GLU A 30 6.495 0.748 7.810 1.00 0.00 C ATOM 501 CG GLU A 30 6.989 1.294 9.141 1.00 0.00 C ATOM 502 CD GLU A 30 7.935 0.340 9.846 1.00 0.00 C ATOM 503 OE1 GLU A 30 8.845 -0.194 9.179 1.00 0.00 O ATOM 504 OE2 GLU A 30 7.765 0.128 11.065 1.00 0.00 O ATOM 0 H GLU A 30 5.342 3.119 8.584 1.00 0.00 H new ATOM 0 HA GLU A 30 5.292 1.434 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.229 -0.302 7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.309 0.787 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.495 2.245 8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.134 1.496 9.787 1.00 0.00 H new ATOM 511 N ALA A 31 3.344 0.122 6.872 1.00 0.00 N ATOM 512 CA ALA A 31 2.106 -0.568 7.208 1.00 0.00 C ATOM 513 C ALA A 31 2.183 -2.019 6.750 1.00 0.00 C ATOM 514 O ALA A 31 2.222 -2.296 5.550 1.00 0.00 O ATOM 515 CB ALA A 31 0.915 0.133 6.572 1.00 0.00 C ATOM 0 H ALA A 31 3.654 -0.021 5.911 1.00 0.00 H new ATOM 0 HA ALA A 31 1.972 -0.548 8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.001 -0.396 6.834 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.859 1.158 6.937 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.033 0.140 5.488 1.00 0.00 H new ATOM 521 N THR A 32 2.227 -2.940 7.705 1.00 0.00 N ATOM 522 CA THR A 32 2.328 -4.359 7.383 1.00 0.00 C ATOM 523 C THR A 32 0.968 -5.030 7.271 1.00 0.00 C ATOM 524 O THR A 32 0.117 -4.898 8.151 1.00 0.00 O ATOM 525 CB THR A 32 3.159 -5.130 8.426 1.00 0.00 C ATOM 526 OG1 THR A 32 4.478 -4.576 8.513 1.00 0.00 O ATOM 527 CG2 THR A 32 3.242 -6.609 8.059 1.00 0.00 C ATOM 0 H THR A 32 2.195 -2.732 8.703 1.00 0.00 H new ATOM 0 HA THR A 32 2.826 -4.396 6.414 1.00 0.00 H new ATOM 0 HB THR A 32 2.667 -5.037 9.394 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.998 -5.072 9.180 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.833 -7.137 8.807 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.238 -7.032 8.025 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.714 -6.716 7.082 1.00 0.00 H new ATOM 535 N ILE A 33 0.796 -5.784 6.194 1.00 0.00 N ATOM 536 CA ILE A 33 -0.429 -6.528 5.959 1.00 0.00 C ATOM 537 C ILE A 33 -0.077 -7.923 5.456 1.00 0.00 C ATOM 538 O ILE A 33 0.319 -8.091 4.303 1.00 0.00 O ATOM 539 CB ILE A 33 -1.339 -5.833 4.925 1.00 0.00 C ATOM 540 CG1 ILE A 33 -1.152 -4.314 4.968 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.795 -6.196 5.175 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.887 -3.701 3.611 1.00 0.00 C ATOM 0 H ILE A 33 1.499 -5.896 5.463 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.974 -6.581 6.902 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.057 -6.182 3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.045 -3.858 5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.322 -4.077 5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.426 -5.699 4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.921 -7.275 5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.084 -5.874 6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.765 -2.623 3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.022 -4.130 3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.727 -3.908 2.948 1.00 0.00 H new ATOM 554 N PRO A 34 -0.203 -8.946 6.316 1.00 0.00 N ATOM 555 CA PRO A 34 0.121 -10.327 5.948 1.00 0.00 C ATOM 556 C PRO A 34 -0.730 -10.827 4.786 1.00 0.00 C ATOM 557 O PRO A 34 -1.916 -11.114 4.952 1.00 0.00 O ATOM 558 CB PRO A 34 -0.179 -11.122 7.223 1.00 0.00 C ATOM 559 CG PRO A 34 -0.144 -10.116 8.321 1.00 0.00 C ATOM 560 CD PRO A 34 -0.650 -8.841 7.717 1.00 0.00 C ATOM 0 HA PRO A 34 1.152 -10.428 5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.152 -11.609 7.165 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.561 -11.906 7.382 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.769 -10.428 9.158 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.868 -9.992 8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.734 -8.760 7.791 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.231 -7.965 8.211 1.00 0.00 H new ATOM 568 N GLY A 35 -0.119 -10.921 3.608 1.00 0.00 N ATOM 569 CA GLY A 35 -0.840 -11.377 2.434 1.00 0.00 C ATOM 570 C GLY A 35 -1.953 -10.425 2.042 1.00 0.00 C ATOM 571 O GLY A 35 -1.721 -9.452 1.325 1.00 0.00 O ATOM 0 H GLY A 35 0.861 -10.690 3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.145 -11.484 1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.260 -12.364 2.628 1.00 0.00 H new ATOM 575 N HIS A 36 -3.161 -10.705 2.520 1.00 0.00 N ATOM 576 CA HIS A 36 -4.317 -9.865 2.224 1.00 0.00 C ATOM 577 C HIS A 36 -5.520 -10.278 3.065 1.00 0.00 C ATOM 578 O HIS A 36 -6.099 -11.345 2.858 1.00 0.00 O ATOM 579 CB HIS A 36 -4.671 -9.945 0.737 1.00 0.00 C ATOM 580 CG HIS A 36 -5.076 -8.629 0.145 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.307 -8.491 -1.201 1.00 0.00 N ATOM 582 CD2 HIS A 36 -5.280 -7.434 0.754 1.00 0.00 C ATOM 583 CE1 HIS A 36 -5.643 -7.227 -1.384 1.00 0.00 C ATOM 584 NE2 HIS A 36 -5.640 -6.546 -0.227 1.00 0.00 N ATOM 0 H HIS A 36 -3.365 -11.508 3.115 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.056 -8.836 2.472 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.813 -10.332 0.188 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.483 -10.659 0.603 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.178 -7.223 1.808 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.889 -6.796 -2.343 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -5.863 -5.558 -0.102 1.00 0.00 H new ATOM 592 N LEU A 37 -5.890 -9.427 4.017 1.00 0.00 N ATOM 593 CA LEU A 37 -7.024 -9.702 4.894 1.00 0.00 C ATOM 594 C LEU A 37 -8.338 -9.315 4.224 1.00 0.00 C ATOM 595 O LEU A 37 -9.367 -9.959 4.432 1.00 0.00 O ATOM 596 CB LEU A 37 -6.878 -8.932 6.208 1.00 0.00 C ATOM 597 CG LEU A 37 -5.738 -9.391 7.119 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.392 -8.962 6.556 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.930 -8.830 8.520 1.00 0.00 C ATOM 0 H LEU A 37 -5.421 -8.540 4.201 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.036 -10.772 5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.732 -7.877 5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.815 -9.010 6.760 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.754 -10.480 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.596 -9.299 7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.253 -9.404 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.361 -7.875 6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.113 -9.163 9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.937 -7.741 8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.877 -9.184 8.927 1.00 0.00 H new ATOM 611 N ASN A 38 -8.289 -8.254 3.424 1.00 0.00 N ATOM 612 CA ASN A 38 -9.467 -7.757 2.718 1.00 0.00 C ATOM 613 C ASN A 38 -9.088 -6.562 1.842 1.00 0.00 C ATOM 614 O ASN A 38 -8.340 -6.709 0.875 1.00 0.00 O ATOM 615 CB ASN A 38 -10.564 -7.371 3.722 1.00 0.00 C ATOM 616 CG ASN A 38 -10.002 -6.738 4.984 1.00 0.00 C ATOM 617 OD1 ASN A 38 -9.662 -7.433 5.940 1.00 0.00 O ATOM 618 ND2 ASN A 38 -9.904 -5.412 4.995 1.00 0.00 N ATOM 0 H ASN A 38 -7.439 -7.718 3.247 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.855 -8.547 2.075 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.257 -6.676 3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.136 -8.259 3.989 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.536 -4.935 5.818 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.197 -4.872 4.181 1.00 0.00 H new ATOM 625 N SER A 39 -9.585 -5.379 2.192 1.00 0.00 N ATOM 626 CA SER A 39 -9.274 -4.169 1.445 1.00 0.00 C ATOM 627 C SER A 39 -8.620 -3.145 2.364 1.00 0.00 C ATOM 628 O SER A 39 -9.287 -2.524 3.193 1.00 0.00 O ATOM 629 CB SER A 39 -10.544 -3.585 0.821 1.00 0.00 C ATOM 630 OG SER A 39 -11.144 -4.507 -0.072 1.00 0.00 O ATOM 0 H SER A 39 -10.205 -5.235 2.989 1.00 0.00 H new ATOM 0 HA SER A 39 -8.580 -4.421 0.643 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.252 -3.322 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.302 -2.665 0.290 1.00 0.00 H new ATOM 0 HG SER A 39 -11.954 -4.111 -0.456 1.00 0.00 H new ATOM 636 N TYR A 40 -7.310 -2.980 2.219 1.00 0.00 N ATOM 637 CA TYR A 40 -6.563 -2.038 3.043 1.00 0.00 C ATOM 638 C TYR A 40 -6.300 -0.744 2.285 1.00 0.00 C ATOM 639 O TYR A 40 -5.502 -0.709 1.349 1.00 0.00 O ATOM 640 CB TYR A 40 -5.241 -2.663 3.494 1.00 0.00 C ATOM 641 CG TYR A 40 -4.684 -2.058 4.765 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.070 -0.812 4.754 1.00 0.00 C ATOM 643 CD2 TYR A 40 -4.772 -2.734 5.975 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.558 -0.258 5.912 1.00 0.00 C ATOM 645 CE2 TYR A 40 -4.265 -2.187 7.138 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.657 -0.949 7.101 1.00 0.00 C ATOM 647 OH TYR A 40 -3.150 -0.399 8.256 1.00 0.00 O ATOM 0 H TYR A 40 -6.744 -3.486 1.538 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.163 -1.804 3.922 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.388 -3.732 3.645 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.506 -2.552 2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.991 -0.267 3.825 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.245 -3.704 6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.083 0.711 5.886 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.344 -2.725 8.071 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.302 -1.013 9.005 1.00 0.00 H new ATOM 657 N THR A 41 -6.982 0.320 2.697 1.00 0.00 N ATOM 658 CA THR A 41 -6.829 1.622 2.058 1.00 0.00 C ATOM 659 C THR A 41 -6.359 2.673 3.057 1.00 0.00 C ATOM 660 O THR A 41 -6.906 2.791 4.154 1.00 0.00 O ATOM 661 CB THR A 41 -8.148 2.089 1.417 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.831 0.974 0.831 1.00 0.00 O ATOM 663 CG2 THR A 41 -7.891 3.146 0.352 1.00 0.00 C ATOM 0 H THR A 41 -7.646 0.306 3.471 1.00 0.00 H new ATOM 0 HA THR A 41 -6.076 1.507 1.278 1.00 0.00 H new ATOM 0 HB THR A 41 -8.769 2.527 2.199 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.670 1.280 0.427 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.839 3.459 -0.086 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.398 4.006 0.805 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.252 2.730 -0.427 1.00 0.00 H new ATOM 671 N ILE A 42 -5.341 3.437 2.670 1.00 0.00 N ATOM 672 CA ILE A 42 -4.795 4.479 3.530 1.00 0.00 C ATOM 673 C ILE A 42 -5.352 5.849 3.154 1.00 0.00 C ATOM 674 O ILE A 42 -5.296 6.254 1.993 1.00 0.00 O ATOM 675 CB ILE A 42 -3.256 4.521 3.458 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.665 3.239 4.046 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.716 5.743 4.190 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.400 2.784 3.353 1.00 0.00 C ATOM 0 H ILE A 42 -4.878 3.353 1.765 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.094 4.237 4.550 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.960 4.594 2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.453 3.398 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.409 2.444 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.628 5.753 4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.115 6.648 3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.018 5.703 5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.037 1.870 3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.610 2.593 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.640 3.561 3.436 1.00 0.00 H new ATOM 690 N LYS A 43 -5.884 6.557 4.145 1.00 0.00 N ATOM 691 CA LYS A 43 -6.449 7.882 3.921 1.00 0.00 C ATOM 692 C LYS A 43 -5.863 8.894 4.900 1.00 0.00 C ATOM 693 O LYS A 43 -4.856 8.624 5.557 1.00 0.00 O ATOM 694 CB LYS A 43 -7.972 7.839 4.059 1.00 0.00 C ATOM 695 CG LYS A 43 -8.708 8.089 2.753 1.00 0.00 C ATOM 696 CD LYS A 43 -9.249 6.797 2.163 1.00 0.00 C ATOM 697 CE LYS A 43 -9.684 6.983 0.718 1.00 0.00 C ATOM 698 NZ LYS A 43 -8.573 7.487 -0.136 1.00 0.00 N ATOM 0 H LYS A 43 -5.936 6.235 5.111 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.193 8.195 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.266 6.865 4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.283 8.585 4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.530 8.784 2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.034 8.562 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.484 6.023 2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.095 6.451 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.044 6.033 0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.519 7.682 0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.767 7.255 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.494 8.519 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.681 7.040 0.156 1.00 0.00 H new ATOM 712 N GLY A 44 -6.496 10.059 4.993 1.00 0.00 N ATOM 713 CA GLY A 44 -6.021 11.093 5.893 1.00 0.00 C ATOM 714 C GLY A 44 -4.935 11.946 5.269 1.00 0.00 C ATOM 715 O GLY A 44 -4.065 12.465 5.968 1.00 0.00 O ATOM 0 H GLY A 44 -7.330 10.305 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.857 11.729 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.639 10.631 6.803 1.00 0.00 H new ATOM 719 N LEU A 45 -4.986 12.090 3.948 1.00 0.00 N ATOM 720 CA LEU A 45 -4.000 12.885 3.226 1.00 0.00 C ATOM 721 C LEU A 45 -4.495 14.314 3.031 1.00 0.00 C ATOM 722 O LEU A 45 -5.646 14.630 3.335 1.00 0.00 O ATOM 723 CB LEU A 45 -3.685 12.243 1.869 1.00 0.00 C ATOM 724 CG LEU A 45 -3.717 10.713 1.854 1.00 0.00 C ATOM 725 CD1 LEU A 45 -4.094 10.203 0.472 1.00 0.00 C ATOM 726 CD2 LEU A 45 -2.373 10.147 2.284 1.00 0.00 C ATOM 0 H LEU A 45 -5.700 11.666 3.356 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.087 12.916 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.400 12.614 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.697 12.574 1.548 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.473 10.377 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.112 9.113 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.080 10.581 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.360 10.549 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.415 9.058 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.598 10.491 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.142 10.486 3.294 1.00 0.00 H new ATOM 738 N LYS A 46 -3.617 15.177 2.531 1.00 0.00 N ATOM 739 CA LYS A 46 -3.955 16.569 2.302 1.00 0.00 C ATOM 740 C LYS A 46 -3.731 16.954 0.839 1.00 0.00 C ATOM 741 O LYS A 46 -2.722 16.582 0.241 1.00 0.00 O ATOM 742 CB LYS A 46 -3.123 17.465 3.217 1.00 0.00 C ATOM 743 CG LYS A 46 -1.698 16.975 3.408 1.00 0.00 C ATOM 744 CD LYS A 46 -0.956 17.801 4.445 1.00 0.00 C ATOM 745 CE LYS A 46 0.122 16.983 5.139 1.00 0.00 C ATOM 746 NZ LYS A 46 -0.433 16.162 6.251 1.00 0.00 N ATOM 0 H LYS A 46 -2.661 14.930 2.276 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.012 16.707 2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.100 18.473 2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.610 17.531 4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.711 15.930 3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.167 17.021 2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.504 18.669 3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.662 18.178 5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.606 16.330 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.890 17.651 5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.333 15.620 6.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.873 16.786 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.148 15.506 5.875 1.00 0.00 H new ATOM 760 N PRO A 47 -4.675 17.706 0.241 1.00 0.00 N ATOM 761 CA PRO A 47 -4.575 18.137 -1.160 1.00 0.00 C ATOM 762 C PRO A 47 -3.386 19.062 -1.402 1.00 0.00 C ATOM 763 O PRO A 47 -2.795 19.589 -0.459 1.00 0.00 O ATOM 764 CB PRO A 47 -5.890 18.889 -1.410 1.00 0.00 C ATOM 765 CG PRO A 47 -6.799 18.469 -0.304 1.00 0.00 C ATOM 766 CD PRO A 47 -5.912 18.192 0.873 1.00 0.00 C ATOM 0 HA PRO A 47 -4.422 17.289 -1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.734 19.968 -1.403 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.310 18.634 -2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.521 19.252 -0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.368 17.582 -0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.737 19.089 1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.346 17.447 1.540 1.00 0.00 H new ATOM 774 N GLY A 48 -3.044 19.256 -2.673 1.00 0.00 N ATOM 775 CA GLY A 48 -1.929 20.120 -3.021 1.00 0.00 C ATOM 776 C GLY A 48 -0.596 19.399 -2.986 1.00 0.00 C ATOM 777 O GLY A 48 0.305 19.709 -3.764 1.00 0.00 O ATOM 0 H GLY A 48 -3.519 18.830 -3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.090 20.529 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.899 20.963 -2.331 1.00 0.00 H new ATOM 781 N VAL A 49 -0.470 18.436 -2.078 1.00 0.00 N ATOM 782 CA VAL A 49 0.761 17.670 -1.943 1.00 0.00 C ATOM 783 C VAL A 49 0.508 16.185 -2.188 1.00 0.00 C ATOM 784 O VAL A 49 -0.227 15.539 -1.440 1.00 0.00 O ATOM 785 CB VAL A 49 1.388 17.865 -0.545 1.00 0.00 C ATOM 786 CG1 VAL A 49 0.332 17.723 0.539 1.00 0.00 C ATOM 787 CG2 VAL A 49 2.530 16.884 -0.318 1.00 0.00 C ATOM 0 H VAL A 49 -1.207 18.169 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 49 1.459 18.040 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 49 1.797 18.874 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.793 17.864 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.444 18.475 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.112 16.729 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.954 17.042 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.154 15.864 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.301 17.042 -1.072 1.00 0.00 H new ATOM 797 N VAL A 50 1.119 15.649 -3.241 1.00 0.00 N ATOM 798 CA VAL A 50 0.956 14.242 -3.586 1.00 0.00 C ATOM 799 C VAL A 50 1.804 13.355 -2.681 1.00 0.00 C ATOM 800 O VAL A 50 2.911 13.726 -2.291 1.00 0.00 O ATOM 801 CB VAL A 50 1.342 13.973 -5.053 1.00 0.00 C ATOM 802 CG1 VAL A 50 1.131 12.507 -5.403 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.549 14.870 -5.990 1.00 0.00 C ATOM 0 H VAL A 50 1.731 16.169 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.098 14.002 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 50 2.400 14.204 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.409 12.338 -6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.750 11.886 -4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.082 12.246 -5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.837 14.664 -7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.516 14.676 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.757 15.914 -5.757 1.00 0.00 H new ATOM 813 N TYR A 51 1.275 12.181 -2.352 1.00 0.00 N ATOM 814 CA TYR A 51 1.976 11.239 -1.500 1.00 0.00 C ATOM 815 C TYR A 51 2.588 10.116 -2.334 1.00 0.00 C ATOM 816 O TYR A 51 1.897 9.467 -3.119 1.00 0.00 O ATOM 817 CB TYR A 51 1.012 10.667 -0.467 1.00 0.00 C ATOM 818 CG TYR A 51 1.072 11.364 0.873 1.00 0.00 C ATOM 819 CD1 TYR A 51 2.096 11.097 1.774 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.104 12.291 1.237 1.00 0.00 C ATOM 821 CE1 TYR A 51 2.152 11.734 2.999 1.00 0.00 C ATOM 822 CE2 TYR A 51 0.154 12.933 2.460 1.00 0.00 C ATOM 823 CZ TYR A 51 1.180 12.651 3.337 1.00 0.00 C ATOM 824 OH TYR A 51 1.233 13.287 4.557 1.00 0.00 O ATOM 0 H TYR A 51 0.359 11.862 -2.666 1.00 0.00 H new ATOM 0 HA TYR A 51 2.783 11.760 -0.985 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.004 10.733 -0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.231 9.609 -0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.860 10.380 1.513 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.701 12.514 0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.954 11.514 3.688 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.607 13.652 2.727 1.00 0.00 H new ATOM 0 HH TYR A 51 0.475 13.903 4.638 1.00 0.00 H new ATOM 834 N GLU A 52 3.886 9.897 -2.163 1.00 0.00 N ATOM 835 CA GLU A 52 4.593 8.857 -2.902 1.00 0.00 C ATOM 836 C GLU A 52 4.873 7.656 -2.005 1.00 0.00 C ATOM 837 O GLU A 52 5.381 7.806 -0.893 1.00 0.00 O ATOM 838 CB GLU A 52 5.904 9.415 -3.476 1.00 0.00 C ATOM 839 CG GLU A 52 7.042 8.403 -3.530 1.00 0.00 C ATOM 840 CD GLU A 52 7.868 8.518 -4.798 1.00 0.00 C ATOM 841 OE1 GLU A 52 7.282 8.796 -5.866 1.00 0.00 O ATOM 842 OE2 GLU A 52 9.101 8.329 -4.722 1.00 0.00 O ATOM 0 H GLU A 52 4.472 10.427 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 52 3.961 8.527 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.717 9.789 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.218 10.267 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.690 8.545 -2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.631 7.396 -3.459 1.00 0.00 H new ATOM 849 N GLY A 53 4.538 6.468 -2.494 1.00 0.00 N ATOM 850 CA GLY A 53 4.761 5.264 -1.719 1.00 0.00 C ATOM 851 C GLY A 53 4.913 4.029 -2.580 1.00 0.00 C ATOM 852 O GLY A 53 4.460 3.998 -3.724 1.00 0.00 O ATOM 0 H GLY A 53 4.117 6.318 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.657 5.390 -1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.927 5.121 -1.031 1.00 0.00 H new ATOM 856 N GLN A 54 5.550 3.007 -2.022 1.00 0.00 N ATOM 857 CA GLN A 54 5.763 1.752 -2.731 1.00 0.00 C ATOM 858 C GLN A 54 5.383 0.574 -1.845 1.00 0.00 C ATOM 859 O GLN A 54 5.580 0.612 -0.630 1.00 0.00 O ATOM 860 CB GLN A 54 7.225 1.622 -3.171 1.00 0.00 C ATOM 861 CG GLN A 54 8.087 2.821 -2.812 1.00 0.00 C ATOM 862 CD GLN A 54 9.483 2.726 -3.394 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.476 2.774 -2.668 1.00 0.00 O ATOM 864 NE2 GLN A 54 9.565 2.591 -4.712 1.00 0.00 N ATOM 0 H GLN A 54 5.930 3.024 -1.075 1.00 0.00 H new ATOM 0 HA GLN A 54 5.129 1.749 -3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.653 0.730 -2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.257 1.474 -4.250 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.607 3.731 -3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.154 2.905 -1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.715 2.556 -5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.478 2.522 -5.162 1.00 0.00 H new ATOM 873 N LEU A 55 4.840 -0.476 -2.453 1.00 0.00 N ATOM 874 CA LEU A 55 4.441 -1.659 -1.703 1.00 0.00 C ATOM 875 C LEU A 55 5.488 -2.759 -1.833 1.00 0.00 C ATOM 876 O LEU A 55 5.619 -3.386 -2.884 1.00 0.00 O ATOM 877 CB LEU A 55 3.079 -2.171 -2.185 1.00 0.00 C ATOM 878 CG LEU A 55 2.252 -2.968 -1.158 1.00 0.00 C ATOM 879 CD1 LEU A 55 2.946 -3.045 0.196 1.00 0.00 C ATOM 880 CD2 LEU A 55 0.878 -2.349 -0.994 1.00 0.00 C ATOM 0 H LEU A 55 4.667 -0.531 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 55 4.358 -1.379 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.487 -1.316 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.239 -2.801 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 55 2.152 -3.983 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.328 -3.616 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.912 -3.536 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.095 -2.038 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.305 -2.923 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.981 -1.321 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.358 -2.358 -1.952 1.00 0.00 H new ATOM 892 N ILE A 56 6.229 -2.987 -0.756 1.00 0.00 N ATOM 893 CA ILE A 56 7.263 -4.011 -0.739 1.00 0.00 C ATOM 894 C ILE A 56 6.823 -5.211 0.088 1.00 0.00 C ATOM 895 O ILE A 56 6.643 -5.104 1.299 1.00 0.00 O ATOM 896 CB ILE A 56 8.581 -3.463 -0.160 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.093 -2.295 -1.006 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.628 -4.566 -0.085 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.516 -0.955 -0.605 1.00 0.00 C ATOM 0 H ILE A 56 6.132 -2.474 0.120 1.00 0.00 H new ATOM 0 HA ILE A 56 7.427 -4.319 -1.772 1.00 0.00 H new ATOM 0 HB ILE A 56 8.390 -3.099 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.179 -2.251 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.855 -2.484 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.553 -4.162 0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.265 -5.369 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.816 -4.958 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.925 -0.176 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.431 -0.980 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.776 -0.743 0.432 1.00 0.00 H new ATOM 911 N SER A 57 6.656 -6.352 -0.569 1.00 0.00 N ATOM 912 CA SER A 57 6.237 -7.569 0.113 1.00 0.00 C ATOM 913 C SER A 57 7.435 -8.347 0.640 1.00 0.00 C ATOM 914 O SER A 57 8.350 -8.686 -0.112 1.00 0.00 O ATOM 915 CB SER A 57 5.417 -8.450 -0.826 1.00 0.00 C ATOM 916 OG SER A 57 4.281 -8.976 -0.167 1.00 0.00 O ATOM 0 H SER A 57 6.804 -6.460 -1.572 1.00 0.00 H new ATOM 0 HA SER A 57 5.618 -7.278 0.962 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.102 -7.869 -1.693 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.036 -9.266 -1.198 1.00 0.00 H new ATOM 0 HG SER A 57 3.591 -8.283 -0.101 1.00 0.00 H new ATOM 922 N ILE A 58 7.415 -8.629 1.935 1.00 0.00 N ATOM 923 CA ILE A 58 8.490 -9.371 2.579 1.00 0.00 C ATOM 924 C ILE A 58 8.082 -10.823 2.818 1.00 0.00 C ATOM 925 O ILE A 58 7.071 -11.100 3.466 1.00 0.00 O ATOM 926 CB ILE A 58 8.899 -8.721 3.918 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.601 -7.385 3.662 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.801 -9.653 4.716 1.00 0.00 C ATOM 929 CD1 ILE A 58 9.548 -6.436 4.839 1.00 0.00 C ATOM 0 H ILE A 58 6.661 -8.353 2.564 1.00 0.00 H new ATOM 0 HA ILE A 58 9.347 -9.348 1.906 1.00 0.00 H new ATOM 0 HB ILE A 58 7.998 -8.537 4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.643 -7.575 3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.144 -6.904 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.077 -9.175 5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.271 -10.583 4.924 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.701 -9.869 4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.065 -5.511 4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.509 -6.215 5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.032 -6.897 5.700 1.00 0.00 H new ATOM 941 N GLN A 59 8.879 -11.742 2.284 1.00 0.00 N ATOM 942 CA GLN A 59 8.619 -13.169 2.422 1.00 0.00 C ATOM 943 C GLN A 59 9.489 -13.778 3.515 1.00 0.00 C ATOM 944 O GLN A 59 10.212 -13.070 4.215 1.00 0.00 O ATOM 945 CB GLN A 59 8.862 -13.891 1.100 1.00 0.00 C ATOM 946 CG GLN A 59 7.664 -14.697 0.630 1.00 0.00 C ATOM 947 CD GLN A 59 8.057 -16.018 0.001 1.00 0.00 C ATOM 948 OE1 GLN A 59 7.993 -16.183 -1.216 1.00 0.00 O ATOM 949 NE2 GLN A 59 8.466 -16.971 0.833 1.00 0.00 N ATOM 0 H GLN A 59 9.717 -11.520 1.747 1.00 0.00 H new ATOM 0 HA GLN A 59 7.573 -13.292 2.703 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.121 -13.158 0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.719 -14.556 1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.003 -14.885 1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.097 -14.110 -0.093 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.504 -16.791 1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.742 -17.883 0.468 1.00 0.00 H new ATOM 958 N GLN A 60 9.408 -15.098 3.658 1.00 0.00 N ATOM 959 CA GLN A 60 10.181 -15.810 4.668 1.00 0.00 C ATOM 960 C GLN A 60 11.680 -15.614 4.459 1.00 0.00 C ATOM 961 O GLN A 60 12.462 -15.680 5.408 1.00 0.00 O ATOM 962 CB GLN A 60 9.849 -17.303 4.627 1.00 0.00 C ATOM 963 CG GLN A 60 9.247 -17.825 5.916 1.00 0.00 C ATOM 964 CD GLN A 60 7.905 -18.498 5.703 1.00 0.00 C ATOM 965 OE1 GLN A 60 6.857 -17.856 5.777 1.00 0.00 O ATOM 966 NE2 GLN A 60 7.930 -19.798 5.437 1.00 0.00 N ATOM 0 H GLN A 60 8.813 -15.696 3.085 1.00 0.00 H new ATOM 0 HA GLN A 60 9.914 -15.402 5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.153 -17.490 3.809 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.758 -17.863 4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.937 -18.535 6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.128 -16.999 6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.822 -20.291 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.058 -20.304 5.285 1.00 0.00 H new ATOM 975 N TYR A 61 12.075 -15.383 3.212 1.00 0.00 N ATOM 976 CA TYR A 61 13.483 -15.187 2.885 1.00 0.00 C ATOM 977 C TYR A 61 13.797 -13.711 2.660 1.00 0.00 C ATOM 978 O TYR A 61 14.905 -13.358 2.255 1.00 0.00 O ATOM 979 CB TYR A 61 13.860 -16.001 1.643 1.00 0.00 C ATOM 980 CG TYR A 61 12.865 -17.087 1.288 1.00 0.00 C ATOM 981 CD1 TYR A 61 12.542 -18.093 2.195 1.00 0.00 C ATOM 982 CD2 TYR A 61 12.246 -17.106 0.043 1.00 0.00 C ATOM 983 CE1 TYR A 61 11.636 -19.083 1.870 1.00 0.00 C ATOM 984 CE2 TYR A 61 11.338 -18.094 -0.288 1.00 0.00 C ATOM 985 CZ TYR A 61 11.036 -19.080 0.628 1.00 0.00 C ATOM 986 OH TYR A 61 10.133 -20.065 0.301 1.00 0.00 O ATOM 0 H TYR A 61 11.443 -15.327 2.413 1.00 0.00 H new ATOM 0 HA TYR A 61 14.075 -15.535 3.731 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.960 -15.324 0.795 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.837 -16.457 1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.008 -18.099 3.169 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.479 -16.336 -0.677 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.398 -19.856 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.867 -18.094 -1.260 1.00 0.00 H new ATOM 0 HH TYR A 61 9.802 -19.916 -0.609 1.00 0.00 H new ATOM 996 N GLY A 62 12.818 -12.853 2.929 1.00 0.00 N ATOM 997 CA GLY A 62 13.011 -11.425 2.752 1.00 0.00 C ATOM 998 C GLY A 62 12.128 -10.847 1.662 1.00 0.00 C ATOM 999 O GLY A 62 11.415 -11.584 0.981 1.00 0.00 O ATOM 0 H GLY A 62 11.894 -13.121 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.802 -10.915 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.056 -11.231 2.509 1.00 0.00 H new ATOM 1003 N HIS A 63 12.176 -9.527 1.499 1.00 0.00 N ATOM 1004 CA HIS A 63 11.374 -8.852 0.483 1.00 0.00 C ATOM 1005 C HIS A 63 11.651 -9.430 -0.900 1.00 0.00 C ATOM 1006 O HIS A 63 12.702 -10.027 -1.133 1.00 0.00 O ATOM 1007 CB HIS A 63 11.654 -7.347 0.490 1.00 0.00 C ATOM 1008 CG HIS A 63 13.095 -7.004 0.705 1.00 0.00 C ATOM 1009 ND1 HIS A 63 14.067 -7.393 -0.184 1.00 0.00 N ATOM 1010 CD2 HIS A 63 13.674 -6.314 1.719 1.00 0.00 C ATOM 1011 CE1 HIS A 63 15.206 -6.936 0.303 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.019 -6.276 1.455 1.00 0.00 N ATOM 0 H HIS A 63 12.761 -8.905 2.057 1.00 0.00 H new ATOM 0 HA HIS A 63 10.323 -9.015 0.721 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.326 -6.921 -0.458 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.058 -6.879 1.273 1.00 0.00 H new ATOM 0 HD2 HIS A 63 13.172 -5.878 2.570 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.168 -7.076 -0.168 1.00 0.00 H new ATOM 0 HE2 HIS A 63 15.739 -5.831 2.025 1.00 0.00 H new ATOM 1020 N GLN A 64 10.701 -9.257 -1.814 1.00 0.00 N ATOM 1021 CA GLN A 64 10.845 -9.771 -3.171 1.00 0.00 C ATOM 1022 C GLN A 64 9.884 -9.080 -4.133 1.00 0.00 C ATOM 1023 O GLN A 64 10.058 -9.143 -5.349 1.00 0.00 O ATOM 1024 CB GLN A 64 10.598 -11.282 -3.187 1.00 0.00 C ATOM 1025 CG GLN A 64 9.461 -11.721 -2.277 1.00 0.00 C ATOM 1026 CD GLN A 64 8.437 -12.580 -2.994 1.00 0.00 C ATOM 1027 OE1 GLN A 64 8.469 -12.716 -4.217 1.00 0.00 O ATOM 1028 NE2 GLN A 64 7.520 -13.166 -2.232 1.00 0.00 N ATOM 0 H GLN A 64 9.824 -8.765 -1.640 1.00 0.00 H new ATOM 0 HA GLN A 64 11.863 -9.564 -3.502 1.00 0.00 H new ATOM 0 HB2 GLN A 64 10.378 -11.595 -4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.512 -11.795 -2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.870 -12.278 -1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.967 -10.840 -1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.531 -13.026 -1.222 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.805 -13.756 -2.657 1.00 0.00 H new ATOM 1037 N GLU A 65 8.865 -8.427 -3.582 1.00 0.00 N ATOM 1038 CA GLU A 65 7.873 -7.732 -4.397 1.00 0.00 C ATOM 1039 C GLU A 65 7.935 -6.225 -4.174 1.00 0.00 C ATOM 1040 O GLU A 65 7.882 -5.756 -3.040 1.00 0.00 O ATOM 1041 CB GLU A 65 6.469 -8.245 -4.069 1.00 0.00 C ATOM 1042 CG GLU A 65 5.620 -8.516 -5.300 1.00 0.00 C ATOM 1043 CD GLU A 65 4.741 -9.741 -5.143 1.00 0.00 C ATOM 1044 OE1 GLU A 65 4.089 -9.873 -4.085 1.00 0.00 O ATOM 1045 OE2 GLU A 65 4.703 -10.569 -6.078 1.00 0.00 O ATOM 0 H GLU A 65 8.704 -8.364 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 65 8.098 -7.934 -5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.553 -9.162 -3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.961 -7.513 -3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.994 -7.647 -5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.271 -8.649 -6.164 1.00 0.00 H new ATOM 1052 N VAL A 66 8.044 -5.469 -5.264 1.00 0.00 N ATOM 1053 CA VAL A 66 8.106 -4.014 -5.177 1.00 0.00 C ATOM 1054 C VAL A 66 7.182 -3.355 -6.197 1.00 0.00 C ATOM 1055 O VAL A 66 7.208 -3.691 -7.382 1.00 0.00 O ATOM 1056 CB VAL A 66 9.538 -3.489 -5.394 1.00 0.00 C ATOM 1057 CG1 VAL A 66 9.608 -2.001 -5.086 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.529 -4.263 -4.538 1.00 0.00 C ATOM 0 H VAL A 66 8.091 -5.839 -6.213 1.00 0.00 H new ATOM 0 HA VAL A 66 7.780 -3.754 -4.170 1.00 0.00 H new ATOM 0 HB VAL A 66 9.806 -3.637 -6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.626 -1.644 -5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.928 -1.461 -5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.320 -1.830 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.534 -3.877 -4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.268 -4.149 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.496 -5.319 -4.808 1.00 0.00 H new ATOM 1068 N THR A 67 6.375 -2.408 -5.728 1.00 0.00 N ATOM 1069 CA THR A 67 5.448 -1.689 -6.596 1.00 0.00 C ATOM 1070 C THR A 67 5.448 -0.199 -6.274 1.00 0.00 C ATOM 1071 O THR A 67 5.157 0.198 -5.149 1.00 0.00 O ATOM 1072 CB THR A 67 4.012 -2.229 -6.458 1.00 0.00 C ATOM 1073 OG1 THR A 67 3.993 -3.356 -5.573 1.00 0.00 O ATOM 1074 CG2 THR A 67 3.452 -2.633 -7.812 1.00 0.00 C ATOM 0 H THR A 67 6.344 -2.120 -4.750 1.00 0.00 H new ATOM 0 HA THR A 67 5.788 -1.842 -7.620 1.00 0.00 H new ATOM 0 HB THR A 67 3.389 -1.435 -6.047 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.076 -3.691 -5.490 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.437 -3.011 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.438 -1.767 -8.473 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.078 -3.412 -8.247 1.00 0.00 H new ATOM 1082 N ARG A 68 5.775 0.622 -7.265 1.00 0.00 N ATOM 1083 CA ARG A 68 5.811 2.069 -7.078 1.00 0.00 C ATOM 1084 C ARG A 68 4.512 2.709 -7.551 1.00 0.00 C ATOM 1085 O ARG A 68 4.020 2.406 -8.638 1.00 0.00 O ATOM 1086 CB ARG A 68 7.001 2.665 -7.829 1.00 0.00 C ATOM 1087 CG ARG A 68 8.295 1.898 -7.610 1.00 0.00 C ATOM 1088 CD ARG A 68 9.369 2.310 -8.605 1.00 0.00 C ATOM 1089 NE ARG A 68 10.624 2.657 -7.941 1.00 0.00 N ATOM 1090 CZ ARG A 68 11.784 2.788 -8.577 1.00 0.00 C ATOM 1091 NH1 ARG A 68 11.849 2.609 -9.889 1.00 0.00 N ATOM 1092 NH2 ARG A 68 12.883 3.097 -7.900 1.00 0.00 N ATOM 0 H ARG A 68 6.019 0.312 -8.206 1.00 0.00 H new ATOM 0 HA ARG A 68 5.924 2.276 -6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.775 2.686 -8.895 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.141 3.698 -7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.653 2.071 -6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.104 0.829 -7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.544 1.496 -9.308 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.018 3.163 -9.186 1.00 0.00 H new ATOM 0 HE ARG A 68 10.609 2.807 -6.932 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.007 2.370 -10.413 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.741 2.710 -10.374 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.838 3.234 -6.890 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.772 3.197 -8.389 1.00 0.00 H new ATOM 1106 N PHE A 69 3.952 3.590 -6.725 1.00 0.00 N ATOM 1107 CA PHE A 69 2.702 4.260 -7.067 1.00 0.00 C ATOM 1108 C PHE A 69 2.550 5.590 -6.338 1.00 0.00 C ATOM 1109 O PHE A 69 3.132 5.806 -5.274 1.00 0.00 O ATOM 1110 CB PHE A 69 1.513 3.354 -6.736 1.00 0.00 C ATOM 1111 CG PHE A 69 1.667 2.605 -5.443 1.00 0.00 C ATOM 1112 CD1 PHE A 69 1.452 3.237 -4.228 1.00 0.00 C ATOM 1113 CD2 PHE A 69 2.026 1.266 -5.441 1.00 0.00 C ATOM 1114 CE1 PHE A 69 1.593 2.550 -3.038 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.168 0.573 -4.254 1.00 0.00 C ATOM 1116 CZ PHE A 69 1.950 1.216 -3.050 1.00 0.00 C ATOM 0 H PHE A 69 4.342 3.855 -5.820 1.00 0.00 H new ATOM 0 HA PHE A 69 2.724 4.466 -8.137 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.608 3.960 -6.689 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.376 2.638 -7.546 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.171 4.280 -4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.197 0.758 -6.379 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.424 3.056 -2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.449 -0.470 -4.267 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.059 0.676 -2.121 1.00 0.00 H new ATOM 1126 N ASP A 70 1.737 6.468 -6.916 1.00 0.00 N ATOM 1127 CA ASP A 70 1.462 7.775 -6.336 1.00 0.00 C ATOM 1128 C ASP A 70 0.001 7.829 -5.921 1.00 0.00 C ATOM 1129 O ASP A 70 -0.868 7.338 -6.643 1.00 0.00 O ATOM 1130 CB ASP A 70 1.769 8.886 -7.343 1.00 0.00 C ATOM 1131 CG ASP A 70 3.252 9.008 -7.637 1.00 0.00 C ATOM 1132 OD1 ASP A 70 3.966 9.641 -6.831 1.00 0.00 O ATOM 1133 OD2 ASP A 70 3.699 8.471 -8.672 1.00 0.00 O ATOM 0 H ASP A 70 1.252 6.293 -7.796 1.00 0.00 H new ATOM 0 HA ASP A 70 2.099 7.927 -5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.233 8.689 -8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.399 9.835 -6.956 1.00 0.00 H new ATOM 1138 N PHE A 71 -0.277 8.391 -4.753 1.00 0.00 N ATOM 1139 CA PHE A 71 -1.649 8.446 -4.279 1.00 0.00 C ATOM 1140 C PHE A 71 -1.914 9.663 -3.395 1.00 0.00 C ATOM 1141 O PHE A 71 -1.078 10.053 -2.579 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.962 7.159 -3.514 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.569 7.207 -2.062 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.233 7.167 -1.684 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.537 7.293 -1.075 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.125 7.211 -0.350 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -2.184 7.335 0.261 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.852 7.294 0.624 1.00 0.00 C ATOM 0 H PHE A 71 0.414 8.807 -4.129 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.302 8.541 -5.147 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.030 6.955 -3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.446 6.327 -3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.534 7.101 -2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.580 7.328 -1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.167 7.181 -0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.949 7.400 1.020 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.574 7.327 1.667 1.00 0.00 H new ATOM 1158 N THR A 72 -3.099 10.239 -3.559 1.00 0.00 N ATOM 1159 CA THR A 72 -3.515 11.393 -2.778 1.00 0.00 C ATOM 1160 C THR A 72 -5.029 11.390 -2.593 1.00 0.00 C ATOM 1161 O THR A 72 -5.740 10.649 -3.272 1.00 0.00 O ATOM 1162 CB THR A 72 -3.084 12.717 -3.435 1.00 0.00 C ATOM 1163 OG1 THR A 72 -2.318 12.453 -4.616 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.261 13.555 -2.470 1.00 0.00 C ATOM 0 H THR A 72 -3.794 9.920 -4.234 1.00 0.00 H new ATOM 0 HA THR A 72 -3.024 11.319 -1.808 1.00 0.00 H new ATOM 0 HB THR A 72 -3.982 13.273 -3.702 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.049 13.301 -5.028 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.967 14.486 -2.955 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.856 13.779 -1.585 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.369 13.001 -2.177 1.00 0.00 H new ATOM 1172 N THR A 73 -5.518 12.222 -1.684 1.00 0.00 N ATOM 1173 CA THR A 73 -6.952 12.311 -1.432 1.00 0.00 C ATOM 1174 C THR A 73 -7.588 13.385 -2.308 1.00 0.00 C ATOM 1175 O THR A 73 -7.123 14.524 -2.340 1.00 0.00 O ATOM 1176 CB THR A 73 -7.251 12.617 0.047 1.00 0.00 C ATOM 1177 OG1 THR A 73 -8.655 12.829 0.231 1.00 0.00 O ATOM 1178 CG2 THR A 73 -6.484 13.844 0.512 1.00 0.00 C ATOM 0 H THR A 73 -4.947 12.843 -1.110 1.00 0.00 H new ATOM 0 HA THR A 73 -7.381 11.340 -1.678 1.00 0.00 H new ATOM 0 HB THR A 73 -6.932 11.761 0.642 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.836 13.021 1.175 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.712 14.040 1.560 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.414 13.668 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.775 14.705 -0.090 1.00 0.00 H new ATOM 1186 N THR A 74 -8.649 13.004 -3.021 1.00 0.00 N ATOM 1187 CA THR A 74 -9.367 13.913 -3.916 1.00 0.00 C ATOM 1188 C THR A 74 -8.411 14.734 -4.785 1.00 0.00 C ATOM 1189 O THR A 74 -8.756 15.820 -5.253 1.00 0.00 O ATOM 1190 CB THR A 74 -10.314 14.859 -3.137 1.00 0.00 C ATOM 1191 OG1 THR A 74 -11.302 15.396 -4.023 1.00 0.00 O ATOM 1192 CG2 THR A 74 -9.553 16.001 -2.474 1.00 0.00 C ATOM 0 H THR A 74 -9.034 12.060 -2.995 1.00 0.00 H new ATOM 0 HA THR A 74 -9.970 13.283 -4.570 1.00 0.00 H new ATOM 0 HB THR A 74 -10.794 14.273 -2.353 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.860 15.826 -4.784 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.253 16.642 -1.938 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.824 15.594 -1.773 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.037 16.585 -3.236 1.00 0.00 H new ATOM 1200 N SER A 75 -7.211 14.204 -5.003 1.00 0.00 N ATOM 1201 CA SER A 75 -6.212 14.885 -5.817 1.00 0.00 C ATOM 1202 C SER A 75 -5.561 13.920 -6.803 1.00 0.00 C ATOM 1203 O SER A 75 -5.763 14.023 -8.013 1.00 0.00 O ATOM 1204 CB SER A 75 -5.145 15.522 -4.925 1.00 0.00 C ATOM 1205 OG SER A 75 -3.893 15.585 -5.587 1.00 0.00 O ATOM 0 H SER A 75 -6.908 13.306 -4.627 1.00 0.00 H new ATOM 0 HA SER A 75 -6.715 15.668 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.459 16.526 -4.639 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.044 14.945 -4.006 1.00 0.00 H new ATOM 0 HG SER A 75 -3.230 15.998 -4.995 1.00 0.00 H new ATOM 1211 N THR A 76 -4.777 12.982 -6.273 1.00 0.00 N ATOM 1212 CA THR A 76 -4.089 11.994 -7.097 1.00 0.00 C ATOM 1213 C THR A 76 -3.140 12.663 -8.089 1.00 0.00 C ATOM 1214 O THR A 76 -3.050 13.890 -8.145 1.00 0.00 O ATOM 1215 CB THR A 76 -5.083 11.104 -7.870 1.00 0.00 C ATOM 1216 OG1 THR A 76 -6.357 11.107 -7.215 1.00 0.00 O ATOM 1217 CG2 THR A 76 -4.564 9.678 -7.971 1.00 0.00 C ATOM 0 H THR A 76 -4.603 12.887 -5.272 1.00 0.00 H new ATOM 0 HA THR A 76 -3.513 11.368 -6.415 1.00 0.00 H new ATOM 0 HB THR A 76 -5.192 11.508 -8.876 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.982 10.541 -7.714 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.281 9.068 -8.520 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.608 9.675 -8.495 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.430 9.268 -6.970 1.00 0.00 H new ATOM 1225 N SER A 77 -2.433 11.850 -8.868 1.00 0.00 N ATOM 1226 CA SER A 77 -1.491 12.367 -9.855 1.00 0.00 C ATOM 1227 C SER A 77 -1.316 11.384 -11.008 1.00 0.00 C ATOM 1228 O SER A 77 -1.019 10.209 -10.790 1.00 0.00 O ATOM 1229 CB SER A 77 -0.138 12.647 -9.200 1.00 0.00 C ATOM 1230 OG SER A 77 0.467 13.804 -9.752 1.00 0.00 O ATOM 0 H SER A 77 -2.494 10.832 -8.835 1.00 0.00 H new ATOM 0 HA SER A 77 -1.895 13.298 -10.253 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.271 12.780 -8.126 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.520 11.789 -9.336 1.00 0.00 H new ATOM 0 HG SER A 77 1.330 13.962 -9.315 1.00 0.00 H new ATOM 1236 N THR A 78 -1.505 11.877 -12.231 1.00 0.00 N ATOM 1237 CA THR A 78 -1.374 11.054 -13.430 1.00 0.00 C ATOM 1238 C THR A 78 -2.154 9.746 -13.299 1.00 0.00 C ATOM 1239 O THR A 78 -1.610 8.730 -12.863 1.00 0.00 O ATOM 1240 CB THR A 78 0.102 10.736 -13.746 1.00 0.00 C ATOM 1241 OG1 THR A 78 0.692 9.995 -12.672 1.00 0.00 O ATOM 1242 CG2 THR A 78 0.893 12.015 -13.977 1.00 0.00 C ATOM 0 H THR A 78 -1.751 12.849 -12.417 1.00 0.00 H new ATOM 0 HA THR A 78 -1.791 11.637 -14.251 1.00 0.00 H new ATOM 0 HB THR A 78 0.130 10.136 -14.656 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.014 9.568 -12.143 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.931 11.766 -14.198 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.464 12.561 -14.817 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.852 12.635 -13.082 1.00 0.00 H new ATOM 1250 N PRO A 79 -3.446 9.751 -13.677 1.00 0.00 N ATOM 1251 CA PRO A 79 -4.298 8.559 -13.599 1.00 0.00 C ATOM 1252 C PRO A 79 -3.871 7.479 -14.588 1.00 0.00 C ATOM 1253 O PRO A 79 -4.426 7.369 -15.681 1.00 0.00 O ATOM 1254 CB PRO A 79 -5.690 9.089 -13.951 1.00 0.00 C ATOM 1255 CG PRO A 79 -5.433 10.305 -14.771 1.00 0.00 C ATOM 1256 CD PRO A 79 -4.179 10.916 -14.213 1.00 0.00 C ATOM 0 HA PRO A 79 -4.247 8.085 -12.619 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.266 8.350 -14.508 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.261 9.329 -13.054 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -5.309 10.048 -15.823 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -6.269 11.002 -14.710 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.606 11.433 -14.983 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.399 11.647 -13.434 1.00 0.00 H new ATOM 1264 N GLY A 80 -2.880 6.684 -14.195 1.00 0.00 N ATOM 1265 CA GLY A 80 -2.391 5.624 -15.056 1.00 0.00 C ATOM 1266 C GLY A 80 -2.889 4.257 -14.630 1.00 0.00 C ATOM 1267 O GLY A 80 -2.708 3.271 -15.347 1.00 0.00 O ATOM 0 H GLY A 80 -2.407 6.756 -13.294 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.705 5.819 -16.081 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.301 5.629 -15.050 1.00 0.00 H new ATOM 1271 N SER A 81 -3.518 4.199 -13.458 1.00 0.00 N ATOM 1272 CA SER A 81 -4.048 2.945 -12.928 1.00 0.00 C ATOM 1273 C SER A 81 -2.946 1.897 -12.802 1.00 0.00 C ATOM 1274 O SER A 81 -3.044 0.808 -13.371 1.00 0.00 O ATOM 1275 CB SER A 81 -5.174 2.421 -13.822 1.00 0.00 C ATOM 1276 OG SER A 81 -5.775 1.266 -13.261 1.00 0.00 O ATOM 0 H SER A 81 -3.673 5.008 -12.856 1.00 0.00 H new ATOM 0 HA SER A 81 -4.450 3.141 -11.934 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.927 3.198 -13.957 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.779 2.186 -14.810 1.00 0.00 H new ATOM 0 HG SER A 81 -5.100 0.562 -13.160 1.00 0.00 H new ATOM 1282 N ARG A 82 -1.900 2.235 -12.053 1.00 0.00 N ATOM 1283 CA ARG A 82 -0.775 1.328 -11.846 1.00 0.00 C ATOM 1284 C ARG A 82 -0.188 0.873 -13.179 1.00 0.00 C ATOM 1285 O ARG A 82 -0.558 -0.178 -13.705 1.00 0.00 O ATOM 1286 CB ARG A 82 -1.211 0.112 -11.026 1.00 0.00 C ATOM 1287 CG ARG A 82 -2.043 0.469 -9.804 1.00 0.00 C ATOM 1288 CD ARG A 82 -1.634 -0.355 -8.593 1.00 0.00 C ATOM 1289 NE ARG A 82 -1.978 -1.767 -8.750 1.00 0.00 N ATOM 1290 CZ ARG A 82 -2.268 -2.575 -7.733 1.00 0.00 C ATOM 1291 NH1 ARG A 82 -2.260 -2.114 -6.489 1.00 0.00 N ATOM 1292 NH2 ARG A 82 -2.570 -3.846 -7.960 1.00 0.00 N ATOM 0 H ARG A 82 -1.808 3.133 -11.578 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.005 1.869 -11.296 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -1.787 -0.559 -11.664 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.325 -0.436 -10.705 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.927 1.529 -9.580 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.098 0.302 -10.019 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.560 -0.259 -8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.124 0.041 -7.703 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.997 -2.155 -9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -2.031 -1.137 -6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.483 -2.737 -5.713 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.580 -4.205 -8.915 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.792 -4.465 -7.180 1.00 0.00 H new ATOM 1306 N SER A 83 0.726 1.672 -13.720 1.00 0.00 N ATOM 1307 CA SER A 83 1.363 1.353 -14.992 1.00 0.00 C ATOM 1308 C SER A 83 2.826 1.784 -14.990 1.00 0.00 C ATOM 1309 O SER A 83 3.170 2.846 -14.473 1.00 0.00 O ATOM 1310 CB SER A 83 0.620 2.034 -16.142 1.00 0.00 C ATOM 1311 OG SER A 83 1.352 1.937 -17.351 1.00 0.00 O ATOM 0 H SER A 83 1.042 2.545 -13.297 1.00 0.00 H new ATOM 0 HA SER A 83 1.321 0.273 -15.131 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.360 1.574 -16.269 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.451 3.083 -15.899 1.00 0.00 H new ATOM 0 HG SER A 83 0.855 2.379 -18.071 1.00 0.00 H new ATOM 1317 N HIS A 84 3.683 0.950 -15.571 1.00 0.00 N ATOM 1318 CA HIS A 84 5.110 1.242 -15.638 1.00 0.00 C ATOM 1319 C HIS A 84 5.565 1.400 -17.085 1.00 0.00 C ATOM 1320 O HIS A 84 6.538 2.099 -17.367 1.00 0.00 O ATOM 1321 CB HIS A 84 5.911 0.130 -14.958 1.00 0.00 C ATOM 1322 CG HIS A 84 5.452 -0.174 -13.566 1.00 0.00 C ATOM 1323 ND1 HIS A 84 5.703 0.685 -12.525 1.00 0.00 N ATOM 1324 CD2 HIS A 84 4.768 -1.248 -13.099 1.00 0.00 C ATOM 1325 CE1 HIS A 84 5.170 0.124 -11.454 1.00 0.00 C ATOM 1326 NE2 HIS A 84 4.593 -1.050 -11.753 1.00 0.00 N ATOM 0 H HIS A 84 3.413 0.066 -16.002 1.00 0.00 H new ATOM 0 HA HIS A 84 5.289 2.181 -15.115 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.842 -0.776 -15.560 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.963 0.416 -14.931 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.427 -2.095 -13.675 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.195 0.555 -10.464 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.116 -1.675 -11.104 1.00 0.00 H new ATOM 1334 N HIS A 85 4.853 0.746 -17.997 1.00 0.00 N ATOM 1335 CA HIS A 85 5.182 0.813 -19.416 1.00 0.00 C ATOM 1336 C HIS A 85 4.433 1.955 -20.095 1.00 0.00 C ATOM 1337 O HIS A 85 3.656 1.737 -21.026 1.00 0.00 O ATOM 1338 CB HIS A 85 4.851 -0.514 -20.101 1.00 0.00 C ATOM 1339 CG HIS A 85 5.599 -1.681 -19.536 1.00 0.00 C ATOM 1340 ND1 HIS A 85 6.818 -1.521 -18.925 1.00 0.00 N ATOM 1341 CD2 HIS A 85 5.263 -2.994 -19.517 1.00 0.00 C ATOM 1342 CE1 HIS A 85 7.195 -2.730 -18.548 1.00 0.00 C ATOM 1343 NE2 HIS A 85 6.285 -3.656 -18.885 1.00 0.00 N ATOM 0 H HIS A 85 4.045 0.164 -17.779 1.00 0.00 H new ATOM 0 HA HIS A 85 6.252 1.002 -19.508 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.781 -0.702 -20.014 1.00 0.00 H new ATOM 0 HB3 HIS A 85 5.074 -0.430 -21.165 1.00 0.00 H new ATOM 0 HD2 HIS A 85 4.364 -3.434 -19.922 1.00 0.00 H new ATOM 0 HE1 HIS A 85 8.120 -2.946 -18.033 1.00 0.00 H new ATOM 0 HE2 HIS A 85 6.342 -4.659 -18.706 1.00 0.00 H new ATOM 1351 N HIS A 86 4.672 3.174 -19.622 1.00 0.00 N ATOM 1352 CA HIS A 86 4.022 4.354 -20.179 1.00 0.00 C ATOM 1353 C HIS A 86 4.995 5.155 -21.041 1.00 0.00 C ATOM 1354 O HIS A 86 5.707 6.027 -20.541 1.00 0.00 O ATOM 1355 CB HIS A 86 3.471 5.236 -19.057 1.00 0.00 C ATOM 1356 CG HIS A 86 2.662 6.397 -19.549 1.00 0.00 C ATOM 1357 ND1 HIS A 86 3.258 7.570 -19.941 1.00 0.00 N ATOM 1358 CD2 HIS A 86 1.319 6.513 -19.692 1.00 0.00 C ATOM 1359 CE1 HIS A 86 2.275 8.370 -20.311 1.00 0.00 C ATOM 1360 NE2 HIS A 86 1.081 7.773 -20.179 1.00 0.00 N ATOM 0 H HIS A 86 5.312 3.370 -18.853 1.00 0.00 H new ATOM 0 HA HIS A 86 3.197 4.021 -20.808 1.00 0.00 H new ATOM 0 HB2 HIS A 86 2.853 4.627 -18.398 1.00 0.00 H new ATOM 0 HB3 HIS A 86 4.302 5.610 -18.459 1.00 0.00 H new ATOM 0 HD1 HIS A 86 4.256 7.780 -19.945 1.00 0.00 H new ATOM 0 HD2 HIS A 86 0.579 5.759 -19.466 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.415 9.378 -20.674 1.00 0.00 H new ATOM 1368 N HIS A 87 5.020 4.854 -22.335 1.00 0.00 N ATOM 1369 CA HIS A 87 5.906 5.548 -23.263 1.00 0.00 C ATOM 1370 C HIS A 87 5.227 6.789 -23.837 1.00 0.00 C ATOM 1371 O HIS A 87 4.049 7.039 -23.577 1.00 0.00 O ATOM 1372 CB HIS A 87 6.330 4.612 -24.397 1.00 0.00 C ATOM 1373 CG HIS A 87 5.215 4.257 -25.332 1.00 0.00 C ATOM 1374 ND1 HIS A 87 4.266 3.324 -24.993 1.00 0.00 N ATOM 1375 CD2 HIS A 87 4.946 4.735 -26.571 1.00 0.00 C ATOM 1376 CE1 HIS A 87 3.443 3.255 -26.025 1.00 0.00 C ATOM 1377 NE2 HIS A 87 3.815 4.092 -27.006 1.00 0.00 N ATOM 0 H HIS A 87 4.438 4.135 -22.765 1.00 0.00 H new ATOM 0 HA HIS A 87 6.793 5.862 -22.713 1.00 0.00 H new ATOM 0 HB2 HIS A 87 7.132 5.083 -24.965 1.00 0.00 H new ATOM 0 HB3 HIS A 87 6.738 3.697 -23.968 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.513 5.479 -27.112 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.580 2.607 -26.073 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.347 4.225 -27.902 1.00 0.00 H new ATOM 1385 N HIS A 88 5.978 7.563 -24.615 1.00 0.00 N ATOM 1386 CA HIS A 88 5.447 8.778 -25.223 1.00 0.00 C ATOM 1387 C HIS A 88 5.330 8.623 -26.736 1.00 0.00 C ATOM 1388 O HIS A 88 5.942 7.734 -27.328 1.00 0.00 O ATOM 1389 CB HIS A 88 6.339 9.975 -24.888 1.00 0.00 C ATOM 1390 CG HIS A 88 5.572 11.201 -24.503 1.00 0.00 C ATOM 1391 ND1 HIS A 88 4.459 11.127 -23.702 1.00 0.00 N ATOM 1392 CD2 HIS A 88 5.796 12.497 -24.832 1.00 0.00 C ATOM 1393 CE1 HIS A 88 4.031 12.369 -23.561 1.00 0.00 C ATOM 1394 NE2 HIS A 88 4.809 13.234 -24.229 1.00 0.00 N ATOM 0 H HIS A 88 6.954 7.371 -24.839 1.00 0.00 H new ATOM 0 HA HIS A 88 4.451 8.952 -24.816 1.00 0.00 H new ATOM 0 HB2 HIS A 88 7.007 9.703 -24.071 1.00 0.00 H new ATOM 0 HB3 HIS A 88 6.966 10.204 -25.750 1.00 0.00 H new ATOM 0 HD2 HIS A 88 6.597 12.876 -25.450 1.00 0.00 H new ATOM 0 HE1 HIS A 88 3.165 12.652 -22.981 1.00 0.00 H new ATOM 0 HE2 HIS A 88 4.689 14.246 -24.279 1.00 0.00 H new ATOM 1402 N HIS A 89 4.539 9.494 -27.355 1.00 0.00 N ATOM 1403 CA HIS A 89 4.339 9.455 -28.799 1.00 0.00 C ATOM 1404 C HIS A 89 5.022 10.639 -29.476 1.00 0.00 C ATOM 1405 O HIS A 89 4.562 11.782 -29.272 1.00 0.00 O ATOM 1406 CB HIS A 89 2.845 9.458 -29.128 1.00 0.00 C ATOM 1407 CG HIS A 89 2.255 8.087 -29.237 1.00 0.00 C ATOM 1408 ND1 HIS A 89 2.942 7.055 -29.831 1.00 0.00 N ATOM 1409 CD2 HIS A 89 1.050 7.631 -28.818 1.00 0.00 C ATOM 1410 CE1 HIS A 89 2.148 6.003 -29.760 1.00 0.00 C ATOM 1411 NE2 HIS A 89 0.988 6.303 -29.154 1.00 0.00 N ATOM 1412 OXT HIS A 89 6.011 10.414 -30.204 1.00 0.00 O ATOM 0 H HIS A 89 4.026 10.236 -26.879 1.00 0.00 H new ATOM 0 HA HIS A 89 4.786 8.536 -29.177 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.312 10.014 -28.356 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.689 9.988 -30.068 1.00 0.00 H new ATOM 0 HD2 HIS A 89 0.285 8.204 -28.315 1.00 0.00 H new ATOM 0 HE1 HIS A 89 2.400 5.024 -30.141 1.00 0.00 H new ATOM 0 HE2 HIS A 89 0.211 5.666 -28.978 1.00 0.00 H new TER 1420 HIS A 89