USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 858 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 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 41 GLN : amide:sc= -1.16 X(o=-1.2,f=-1) USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS :FLIP no HE2:sc= 0.177 F(o=-1.3,f=0.18) USER MOD Single : A 22 GLN : amide:sc= -20.7! C(o=-21!,f=-30!) USER MOD Single : A 29 SER OG : rot 150:sc= -2.33! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -14:sc= 0.734! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -132:sc= -0.0975 (180deg=-1.78!) USER MOD Single : A 47 TYR OH : rot 165:sc= -0.57 USER MOD Single : A 48 GLN :FLIP amide:sc= -1.64! C(o=-4.6!,f=-1.6!) USER MOD Single : A 50 GLN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0822 K(o=-0.082,f=-2.2!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 65 SER OG : rot -7:sc= 0.701! USER MOD Single : A 66 LYS NZ :NH3+ -128:sc= -1.26 (180deg=-3.21!) USER MOD Single : A 68 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.16) USER MOD Single : A 75 HIS : no HE2:sc= -0.403 K(o=-0.4,f=-1.3) USER MOD Single : A 76 GLN : amide:sc= -0.0496 X(o=-0.05,f=-0.53) USER MOD Single : A 80 TYR OH : rot -177:sc= -0.485 USER MOD Single : A 83 GLN : amide:sc= -0.267 K(o=-0.27,f=-2.4!) USER MOD Single : A 84 MET CE :methyl 174:sc= -13! (180deg=-13.6!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.469 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -56:sc= 0.742 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 26:sc= 0.214! USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.668 -13.545 -9.011 1.00 0.00 N ATOM 2 CA GLY A 1 7.356 -14.940 -8.470 1.00 0.00 C ATOM 3 C GLY A 1 6.024 -15.545 -8.751 1.00 0.00 C ATOM 4 O GLY A 1 5.311 -15.944 -7.852 1.00 0.00 O ATOM 0 H1 GLY A 1 8.631 -13.271 -8.729 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.600 -13.552 -10.049 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.986 -12.862 -8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.114 -15.620 -8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.481 -14.908 -7.388 1.00 0.00 H new ATOM 10 N SER A 2 5.653 -15.629 -9.998 1.00 0.00 N ATOM 11 CA SER A 2 4.333 -16.224 -10.343 1.00 0.00 C ATOM 12 C SER A 2 3.225 -15.473 -9.604 1.00 0.00 C ATOM 13 O SER A 2 3.483 -14.635 -8.761 1.00 0.00 O ATOM 14 CB SER A 2 4.310 -17.696 -9.927 1.00 0.00 C ATOM 15 OG SER A 2 5.367 -18.385 -10.582 1.00 0.00 O ATOM 0 H SER A 2 6.207 -15.311 -10.793 1.00 0.00 H new ATOM 0 HA SER A 2 4.173 -16.146 -11.418 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.419 -17.782 -8.846 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.351 -18.145 -10.187 1.00 0.00 H new ATOM 0 HG SER A 2 5.357 -19.328 -10.317 1.00 0.00 H new ATOM 21 N SER A 3 1.993 -15.768 -9.911 1.00 0.00 N ATOM 22 CA SER A 3 0.866 -15.078 -9.226 1.00 0.00 C ATOM 23 C SER A 3 -0.031 -16.123 -8.566 1.00 0.00 C ATOM 24 O SER A 3 -1.129 -16.384 -9.013 1.00 0.00 O ATOM 25 CB SER A 3 0.054 -14.283 -10.248 1.00 0.00 C ATOM 26 OG SER A 3 0.735 -14.292 -11.495 1.00 0.00 O ATOM 0 H SER A 3 1.718 -16.459 -10.609 1.00 0.00 H new ATOM 0 HA SER A 3 1.258 -14.397 -8.470 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.939 -14.718 -10.359 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.084 -13.258 -9.903 1.00 0.00 H new ATOM 0 HG SER A 3 0.217 -13.785 -12.154 1.00 0.00 H new ATOM 32 N LEU A 4 0.429 -16.730 -7.507 1.00 0.00 N ATOM 33 CA LEU A 4 -0.403 -17.761 -6.831 1.00 0.00 C ATOM 34 C LEU A 4 -0.947 -17.212 -5.512 1.00 0.00 C ATOM 35 O LEU A 4 -2.131 -17.279 -5.250 1.00 0.00 O ATOM 36 CB LEU A 4 0.442 -19.006 -6.562 1.00 0.00 C ATOM 37 CG LEU A 4 0.117 -20.075 -7.606 1.00 0.00 C ATOM 38 CD1 LEU A 4 0.424 -19.535 -9.005 1.00 0.00 C ATOM 39 CD2 LEU A 4 0.965 -21.320 -7.339 1.00 0.00 C ATOM 0 H LEU A 4 1.341 -16.557 -7.083 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.240 -18.024 -7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.502 -18.755 -6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.240 -19.387 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.940 -20.335 -7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.192 -20.298 -9.748 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.181 -18.648 -9.194 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.480 -19.274 -9.071 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.735 -22.083 -8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.022 -21.060 -7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.743 -21.704 -6.343 1.00 0.00 H new ATOM 51 N GLU A 5 -0.104 -16.675 -4.667 1.00 0.00 N ATOM 52 CA GLU A 5 -0.618 -16.144 -3.374 1.00 0.00 C ATOM 53 C GLU A 5 -0.209 -14.674 -3.110 1.00 0.00 C ATOM 54 O GLU A 5 -0.096 -14.296 -1.965 1.00 0.00 O ATOM 55 CB GLU A 5 -0.084 -17.015 -2.234 1.00 0.00 C ATOM 56 CG GLU A 5 -0.588 -18.451 -2.405 1.00 0.00 C ATOM 57 CD GLU A 5 -0.991 -19.015 -1.043 1.00 0.00 C ATOM 58 OE1 GLU A 5 -0.516 -18.498 -0.045 1.00 0.00 O ATOM 59 OE2 GLU A 5 -1.769 -19.955 -1.018 1.00 0.00 O ATOM 0 H GLU A 5 0.901 -16.583 -4.814 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.706 -16.171 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.006 -16.999 -2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.411 -16.616 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.440 -18.470 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.190 -19.070 -2.851 1.00 0.00 H new ATOM 66 N PRO A 6 -0.027 -13.860 -4.137 1.00 0.00 N ATOM 67 CA PRO A 6 0.321 -12.438 -3.932 1.00 0.00 C ATOM 68 C PRO A 6 -0.953 -11.648 -3.607 1.00 0.00 C ATOM 69 O PRO A 6 -2.044 -12.149 -3.796 1.00 0.00 O ATOM 70 CB PRO A 6 0.880 -12.001 -5.286 1.00 0.00 C ATOM 71 CG PRO A 6 0.295 -12.979 -6.331 1.00 0.00 C ATOM 72 CD PRO A 6 -0.127 -14.246 -5.564 1.00 0.00 C ATOM 0 HA PRO A 6 1.025 -12.276 -3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.594 -10.974 -5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 6 1.969 -12.036 -5.287 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.559 -12.534 -6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.035 -13.218 -7.095 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.141 -14.549 -5.824 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.526 -15.087 -5.795 1.00 0.00 H new ATOM 80 N PRO A 7 -0.786 -10.434 -3.147 1.00 0.00 N ATOM 81 CA PRO A 7 -1.923 -9.562 -2.816 1.00 0.00 C ATOM 82 C PRO A 7 -2.517 -8.985 -4.093 1.00 0.00 C ATOM 83 O PRO A 7 -2.180 -7.898 -4.517 1.00 0.00 O ATOM 84 CB PRO A 7 -1.314 -8.470 -1.947 1.00 0.00 C ATOM 85 CG PRO A 7 0.201 -8.448 -2.278 1.00 0.00 C ATOM 86 CD PRO A 7 0.535 -9.817 -2.914 1.00 0.00 C ATOM 0 HA PRO A 7 -2.733 -10.083 -2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.773 -7.504 -2.158 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.478 -8.677 -0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.436 -7.634 -2.964 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.792 -8.285 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.091 -9.700 -3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.149 -10.426 -2.251 1.00 0.00 H new ATOM 94 N MET A 8 -3.394 -9.715 -4.717 1.00 0.00 N ATOM 95 CA MET A 8 -4.005 -9.217 -5.977 1.00 0.00 C ATOM 96 C MET A 8 -5.523 -9.134 -5.819 1.00 0.00 C ATOM 97 O MET A 8 -6.137 -9.953 -5.163 1.00 0.00 O ATOM 98 CB MET A 8 -3.655 -10.171 -7.122 1.00 0.00 C ATOM 99 CG MET A 8 -4.074 -9.547 -8.454 1.00 0.00 C ATOM 100 SD MET A 8 -2.629 -8.805 -9.254 1.00 0.00 S ATOM 101 CE MET A 8 -3.290 -8.774 -10.939 1.00 0.00 C ATOM 0 H MET A 8 -3.714 -10.634 -4.410 1.00 0.00 H new ATOM 0 HA MET A 8 -3.617 -8.223 -6.200 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.584 -10.375 -7.125 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.161 -11.126 -6.981 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.512 -10.306 -9.102 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.840 -8.790 -8.288 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.548 -8.346 -11.613 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.525 -9.790 -11.256 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.196 -8.168 -10.964 1.00 0.00 H new ATOM 111 N LEU A 9 -6.128 -8.151 -6.422 1.00 0.00 N ATOM 112 CA LEU A 9 -7.605 -8.008 -6.321 1.00 0.00 C ATOM 113 C LEU A 9 -8.207 -8.150 -7.723 1.00 0.00 C ATOM 114 O LEU A 9 -7.851 -7.430 -8.635 1.00 0.00 O ATOM 115 CB LEU A 9 -7.946 -6.625 -5.737 1.00 0.00 C ATOM 116 CG LEU A 9 -9.350 -6.158 -6.171 1.00 0.00 C ATOM 117 CD1 LEU A 9 -9.275 -5.565 -7.578 1.00 0.00 C ATOM 118 CD2 LEU A 9 -10.349 -7.327 -6.163 1.00 0.00 C ATOM 0 H LEU A 9 -5.661 -7.438 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.016 -8.777 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.895 -6.666 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.203 -5.898 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.696 -5.404 -5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.267 -5.234 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.592 -4.715 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.912 -6.322 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.331 -6.969 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.010 -8.100 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.415 -7.742 -5.157 1.00 0.00 H new ATOM 130 N GLN A 10 -9.118 -9.063 -7.900 1.00 0.00 N ATOM 131 CA GLN A 10 -9.745 -9.241 -9.241 1.00 0.00 C ATOM 132 C GLN A 10 -11.205 -9.645 -9.056 1.00 0.00 C ATOM 133 O GLN A 10 -11.748 -9.571 -7.972 1.00 0.00 O ATOM 134 CB GLN A 10 -9.005 -10.330 -10.028 1.00 0.00 C ATOM 135 CG GLN A 10 -8.356 -11.324 -9.061 1.00 0.00 C ATOM 136 CD GLN A 10 -7.565 -12.370 -9.850 1.00 0.00 C ATOM 137 OE1 GLN A 10 -7.855 -12.583 -11.105 1.00 0.00 O flip ATOM 138 NE2 GLN A 10 -6.672 -12.999 -9.318 1.00 0.00 N flip ATOM 0 H GLN A 10 -9.457 -9.695 -7.175 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.686 -8.305 -9.796 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.700 -10.851 -10.686 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.243 -9.878 -10.663 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.695 -10.798 -8.372 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.122 -11.812 -8.458 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.445 -12.833 -8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.149 -13.693 -9.852 1.00 0.00 H new ATOM 147 N ALA A 11 -11.848 -10.070 -10.102 1.00 0.00 N ATOM 148 CA ALA A 11 -13.274 -10.475 -9.976 1.00 0.00 C ATOM 149 C ALA A 11 -13.340 -11.959 -9.614 1.00 0.00 C ATOM 150 O ALA A 11 -12.415 -12.510 -9.052 1.00 0.00 O ATOM 151 CB ALA A 11 -13.996 -10.238 -11.305 1.00 0.00 C ATOM 0 H ALA A 11 -11.451 -10.155 -11.038 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.756 -9.884 -9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.040 -10.536 -11.210 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.942 -9.181 -11.565 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.520 -10.829 -12.088 1.00 0.00 H new ATOM 157 N LEU A 12 -14.424 -12.609 -9.928 1.00 0.00 N ATOM 158 CA LEU A 12 -14.538 -14.055 -9.595 1.00 0.00 C ATOM 159 C LEU A 12 -15.141 -14.808 -10.780 1.00 0.00 C ATOM 160 O LEU A 12 -16.000 -14.305 -11.478 1.00 0.00 O ATOM 161 CB LEU A 12 -15.438 -14.227 -8.374 1.00 0.00 C ATOM 162 CG LEU A 12 -15.129 -15.563 -7.700 1.00 0.00 C ATOM 163 CD1 LEU A 12 -14.867 -15.335 -6.211 1.00 0.00 C ATOM 164 CD2 LEU A 12 -16.325 -16.500 -7.869 1.00 0.00 C ATOM 0 H LEU A 12 -15.233 -12.204 -10.399 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.548 -14.455 -9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -15.279 -13.408 -7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -16.486 -14.192 -8.673 1.00 0.00 H new ATOM 0 HG LEU A 12 -14.246 -16.009 -8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.647 -16.288 -5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -14.018 -14.662 -6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.750 -14.892 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.110 -17.455 -7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -17.206 -16.053 -7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -16.514 -16.661 -8.930 1.00 0.00 H new ATOM 176 N ASP A 13 -14.699 -16.013 -11.013 1.00 0.00 N ATOM 177 CA ASP A 13 -15.247 -16.800 -12.152 1.00 0.00 C ATOM 178 C ASP A 13 -16.603 -17.387 -11.758 1.00 0.00 C ATOM 179 O ASP A 13 -16.713 -18.138 -10.809 1.00 0.00 O ATOM 180 CB ASP A 13 -14.282 -17.933 -12.503 1.00 0.00 C ATOM 181 CG ASP A 13 -13.928 -17.857 -13.989 1.00 0.00 C ATOM 182 OD1 ASP A 13 -14.820 -17.592 -14.777 1.00 0.00 O ATOM 183 OD2 ASP A 13 -12.770 -18.063 -14.313 1.00 0.00 O ATOM 0 H ASP A 13 -13.982 -16.486 -10.463 1.00 0.00 H new ATOM 0 HA ASP A 13 -15.370 -16.149 -13.018 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.378 -17.856 -11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -14.737 -18.897 -12.275 1.00 0.00 H new ATOM 188 N ILE A 14 -17.637 -17.049 -12.476 1.00 0.00 N ATOM 189 CA ILE A 14 -18.985 -17.586 -12.140 1.00 0.00 C ATOM 190 C ILE A 14 -19.446 -18.542 -13.239 1.00 0.00 C ATOM 191 O ILE A 14 -19.059 -18.422 -14.385 1.00 0.00 O ATOM 192 CB ILE A 14 -19.979 -16.430 -12.017 1.00 0.00 C ATOM 193 CG1 ILE A 14 -19.341 -15.298 -11.207 1.00 0.00 C ATOM 194 CG2 ILE A 14 -21.245 -16.912 -11.308 1.00 0.00 C ATOM 195 CD1 ILE A 14 -18.972 -15.808 -9.812 1.00 0.00 C ATOM 0 H ILE A 14 -17.607 -16.424 -13.281 1.00 0.00 H new ATOM 0 HA ILE A 14 -18.934 -18.123 -11.193 1.00 0.00 H new ATOM 0 HB ILE A 14 -20.239 -16.068 -13.012 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -18.451 -14.929 -11.717 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -20.033 -14.460 -11.127 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -21.951 -16.086 -11.222 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -21.699 -17.719 -11.883 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -20.989 -17.275 -10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -18.518 -15.000 -9.238 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -19.871 -16.155 -9.302 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -18.264 -16.632 -9.901 1.00 0.00 H new ATOM 207 N GLY A 15 -20.269 -19.491 -12.895 1.00 0.00 N ATOM 208 CA GLY A 15 -20.759 -20.464 -13.914 1.00 0.00 C ATOM 209 C GLY A 15 -21.556 -21.572 -13.215 1.00 0.00 C ATOM 210 O GLY A 15 -22.410 -21.291 -12.397 1.00 0.00 O ATOM 0 H GLY A 15 -20.625 -19.637 -11.950 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.386 -19.956 -14.647 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.918 -20.893 -14.458 1.00 0.00 H new ATOM 214 N PRO A 16 -21.255 -22.803 -13.551 1.00 0.00 N ATOM 215 CA PRO A 16 -21.934 -23.970 -12.963 1.00 0.00 C ATOM 216 C PRO A 16 -21.376 -24.258 -11.567 1.00 0.00 C ATOM 217 O PRO A 16 -21.762 -25.207 -10.915 1.00 0.00 O ATOM 218 CB PRO A 16 -21.600 -25.108 -13.932 1.00 0.00 C ATOM 219 CG PRO A 16 -20.319 -24.677 -14.685 1.00 0.00 C ATOM 220 CD PRO A 16 -20.217 -23.146 -14.544 1.00 0.00 C ATOM 0 HA PRO A 16 -23.008 -23.827 -12.840 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -21.439 -26.042 -13.394 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -22.421 -25.279 -14.628 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.440 -25.164 -14.263 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.371 -24.966 -15.735 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.226 -22.842 -14.205 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -20.396 -22.646 -15.496 1.00 0.00 H new ATOM 228 N ASP A 17 -20.466 -23.443 -11.104 1.00 0.00 N ATOM 229 CA ASP A 17 -19.881 -23.668 -9.753 1.00 0.00 C ATOM 230 C ASP A 17 -19.953 -22.372 -8.944 1.00 0.00 C ATOM 231 O ASP A 17 -19.004 -21.982 -8.294 1.00 0.00 O ATOM 232 CB ASP A 17 -18.420 -24.096 -9.896 1.00 0.00 C ATOM 233 CG ASP A 17 -17.672 -23.083 -10.766 1.00 0.00 C ATOM 234 OD1 ASP A 17 -18.120 -21.950 -10.843 1.00 0.00 O ATOM 235 OD2 ASP A 17 -16.663 -23.457 -11.342 1.00 0.00 O ATOM 0 H ASP A 17 -20.103 -22.631 -11.604 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.442 -24.449 -9.240 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.952 -24.163 -8.914 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.363 -25.088 -10.344 1.00 0.00 H new ATOM 240 N VAL A 18 -21.070 -21.702 -8.978 1.00 0.00 N ATOM 241 CA VAL A 18 -21.196 -20.433 -8.209 1.00 0.00 C ATOM 242 C VAL A 18 -22.381 -20.531 -7.252 1.00 0.00 C ATOM 243 O VAL A 18 -23.155 -19.608 -7.121 1.00 0.00 O ATOM 244 CB VAL A 18 -21.419 -19.269 -9.176 1.00 0.00 C ATOM 245 CG1 VAL A 18 -22.800 -19.397 -9.824 1.00 0.00 C ATOM 246 CG2 VAL A 18 -21.338 -17.948 -8.409 1.00 0.00 C ATOM 0 H VAL A 18 -21.900 -21.977 -9.504 1.00 0.00 H new ATOM 0 HA VAL A 18 -20.282 -20.263 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 18 -20.652 -19.290 -9.950 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -22.957 -18.567 -10.513 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -22.860 -20.338 -10.371 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -23.568 -19.377 -9.051 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.497 -17.118 -9.097 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.105 -17.929 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -20.355 -17.855 -7.948 1.00 0.00 H new ATOM 256 N VAL A 19 -22.526 -21.645 -6.584 1.00 0.00 N ATOM 257 CA VAL A 19 -23.662 -21.817 -5.630 1.00 0.00 C ATOM 258 C VAL A 19 -24.990 -21.803 -6.395 1.00 0.00 C ATOM 259 O VAL A 19 -25.526 -22.843 -6.715 1.00 0.00 O ATOM 260 CB VAL A 19 -23.653 -20.684 -4.600 1.00 0.00 C ATOM 261 CG1 VAL A 19 -24.933 -20.745 -3.767 1.00 0.00 C ATOM 262 CG2 VAL A 19 -22.439 -20.843 -3.682 1.00 0.00 C ATOM 0 H VAL A 19 -21.902 -22.449 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 19 -23.552 -22.772 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 19 -23.599 -19.724 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -24.928 -19.939 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -25.798 -20.635 -4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -24.987 -21.704 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -22.430 -20.038 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -22.495 -21.802 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -21.526 -20.802 -4.276 1.00 0.00 H new ATOM 272 N SER A 20 -25.511 -20.627 -6.670 1.00 0.00 N ATOM 273 CA SER A 20 -26.811 -20.480 -7.409 1.00 0.00 C ATOM 274 C SER A 20 -27.911 -20.106 -6.416 1.00 0.00 C ATOM 275 O SER A 20 -28.265 -20.875 -5.545 1.00 0.00 O ATOM 276 CB SER A 20 -27.196 -21.774 -8.129 1.00 0.00 C ATOM 277 OG SER A 20 -28.247 -21.506 -9.048 1.00 0.00 O ATOM 0 H SER A 20 -25.079 -19.742 -6.406 1.00 0.00 H new ATOM 0 HA SER A 20 -26.692 -19.698 -8.159 1.00 0.00 H new ATOM 0 HB2 SER A 20 -26.333 -22.182 -8.655 1.00 0.00 H new ATOM 0 HB3 SER A 20 -27.513 -22.526 -7.406 1.00 0.00 H new ATOM 0 HG SER A 20 -28.495 -22.333 -9.512 1.00 0.00 H new ATOM 283 N HIS A 21 -28.450 -18.924 -6.540 1.00 0.00 N ATOM 284 CA HIS A 21 -29.523 -18.493 -5.602 1.00 0.00 C ATOM 285 C HIS A 21 -30.157 -17.195 -6.112 1.00 0.00 C ATOM 286 O HIS A 21 -31.344 -16.974 -5.965 1.00 0.00 O ATOM 287 CB HIS A 21 -28.917 -18.258 -4.217 1.00 0.00 C ATOM 288 CG HIS A 21 -29.599 -19.148 -3.213 1.00 0.00 C ATOM 289 ND1 HIS A 21 -29.935 -20.478 -3.247 1.00 0.00 N flip ATOM 290 CD2 HIS A 21 -30.022 -18.681 -1.979 1.00 0.00 C flip ATOM 291 CE1 HIS A 21 -30.559 -20.833 -2.054 1.00 0.00 C flip ATOM 292 NE2 HIS A 21 -30.586 -19.714 -1.326 1.00 0.00 N flip ATOM 0 H HIS A 21 -28.193 -18.239 -7.251 1.00 0.00 H new ATOM 0 HA HIS A 21 -30.288 -19.267 -5.539 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -27.847 -18.467 -4.236 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -29.033 -17.213 -3.930 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -29.755 -21.110 -4.027 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -29.918 -17.672 -1.609 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -30.940 -21.805 -1.777 1.00 0.00 H new ATOM 300 N GLN A 22 -29.379 -16.333 -6.712 1.00 0.00 N ATOM 301 CA GLN A 22 -29.943 -15.055 -7.228 1.00 0.00 C ATOM 302 C GLN A 22 -29.745 -14.995 -8.756 1.00 0.00 C ATOM 303 O GLN A 22 -29.024 -15.798 -9.312 1.00 0.00 O ATOM 304 CB GLN A 22 -29.246 -13.886 -6.530 1.00 0.00 C ATOM 305 CG GLN A 22 -27.869 -13.673 -7.143 1.00 0.00 C ATOM 306 CD GLN A 22 -27.995 -12.719 -8.323 1.00 0.00 C ATOM 307 OE1 GLN A 22 -27.568 -13.038 -9.411 1.00 0.00 O ATOM 308 NE2 GLN A 22 -28.556 -11.552 -8.145 1.00 0.00 N ATOM 0 H GLN A 22 -28.379 -16.460 -6.866 1.00 0.00 H new ATOM 0 HA GLN A 22 -31.011 -14.994 -7.019 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -29.844 -12.980 -6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -29.153 -14.090 -5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -27.185 -13.264 -6.399 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -27.451 -14.625 -7.471 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -28.913 -11.292 -7.225 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -28.637 -10.901 -8.926 1.00 0.00 H new ATOM 317 N PRO A 23 -30.435 -14.077 -9.390 1.00 0.00 N ATOM 318 CA PRO A 23 -30.410 -13.920 -10.864 1.00 0.00 C ATOM 319 C PRO A 23 -29.174 -13.173 -11.405 1.00 0.00 C ATOM 320 O PRO A 23 -28.452 -13.698 -12.230 1.00 0.00 O ATOM 321 CB PRO A 23 -31.679 -13.114 -11.150 1.00 0.00 C ATOM 322 CG PRO A 23 -32.042 -12.379 -9.838 1.00 0.00 C ATOM 323 CD PRO A 23 -31.314 -13.113 -8.698 1.00 0.00 C ATOM 0 HA PRO A 23 -30.362 -14.892 -11.354 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -31.512 -12.403 -11.959 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -32.491 -13.769 -11.464 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -31.734 -11.334 -9.883 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -33.120 -12.387 -9.676 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -30.739 -12.421 -8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -32.018 -13.619 -8.037 1.00 0.00 H new ATOM 331 N GLY A 24 -28.936 -11.953 -10.994 1.00 0.00 N ATOM 332 CA GLY A 24 -27.774 -11.209 -11.543 1.00 0.00 C ATOM 333 C GLY A 24 -26.907 -10.630 -10.421 1.00 0.00 C ATOM 334 O GLY A 24 -27.109 -9.520 -9.970 1.00 0.00 O ATOM 0 H GLY A 24 -29.495 -11.447 -10.307 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -27.174 -11.874 -12.164 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -28.126 -10.403 -12.187 1.00 0.00 H new ATOM 338 N CYS A 25 -25.928 -11.371 -9.991 1.00 0.00 N ATOM 339 CA CYS A 25 -25.011 -10.870 -8.916 1.00 0.00 C ATOM 340 C CYS A 25 -23.573 -10.819 -9.441 1.00 0.00 C ATOM 341 O CYS A 25 -23.298 -11.137 -10.580 1.00 0.00 O ATOM 342 CB CYS A 25 -25.031 -11.803 -7.701 1.00 0.00 C ATOM 343 SG CYS A 25 -25.091 -10.823 -6.178 1.00 0.00 S ATOM 0 H CYS A 25 -25.717 -12.308 -10.335 1.00 0.00 H new ATOM 0 HA CYS A 25 -25.354 -9.877 -8.625 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -25.895 -12.465 -7.753 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -24.144 -12.436 -7.702 1.00 0.00 H new ATOM 348 N LEU A 26 -22.657 -10.433 -8.598 1.00 0.00 N ATOM 349 CA LEU A 26 -21.225 -10.364 -8.996 1.00 0.00 C ATOM 350 C LEU A 26 -20.383 -10.997 -7.887 1.00 0.00 C ATOM 351 O LEU A 26 -20.835 -11.153 -6.770 1.00 0.00 O ATOM 352 CB LEU A 26 -20.810 -8.903 -9.164 1.00 0.00 C ATOM 353 CG LEU A 26 -20.544 -8.609 -10.637 1.00 0.00 C ATOM 354 CD1 LEU A 26 -20.114 -7.148 -10.789 1.00 0.00 C ATOM 355 CD2 LEU A 26 -19.430 -9.524 -11.151 1.00 0.00 C ATOM 0 H LEU A 26 -22.844 -10.158 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 26 -21.075 -10.893 -9.937 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -21.595 -8.247 -8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -19.915 -8.699 -8.575 1.00 0.00 H new ATOM 0 HG LEU A 26 -21.451 -8.787 -11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.923 -6.933 -11.840 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.907 -6.495 -10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.206 -6.974 -10.212 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.242 -9.312 -12.204 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -18.520 -9.348 -10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.733 -10.565 -11.039 1.00 0.00 H new ATOM 367 N TRP A 27 -19.166 -11.360 -8.176 1.00 0.00 N ATOM 368 CA TRP A 27 -18.314 -11.975 -7.124 1.00 0.00 C ATOM 369 C TRP A 27 -16.873 -11.483 -7.279 1.00 0.00 C ATOM 370 O TRP A 27 -16.248 -11.672 -8.302 1.00 0.00 O ATOM 371 CB TRP A 27 -18.356 -13.498 -7.259 1.00 0.00 C ATOM 372 CG TRP A 27 -19.676 -14.008 -6.773 1.00 0.00 C ATOM 373 CD1 TRP A 27 -19.919 -14.450 -5.519 1.00 0.00 C ATOM 374 CD2 TRP A 27 -20.931 -14.139 -7.505 1.00 0.00 C ATOM 375 NE1 TRP A 27 -21.242 -14.846 -5.432 1.00 0.00 N ATOM 376 CE2 TRP A 27 -21.907 -14.675 -6.630 1.00 0.00 C ATOM 377 CE3 TRP A 27 -21.313 -13.851 -8.828 1.00 0.00 C ATOM 378 CZ2 TRP A 27 -23.214 -14.916 -7.053 1.00 0.00 C ATOM 379 CZ3 TRP A 27 -22.628 -14.092 -9.257 1.00 0.00 C ATOM 380 CH2 TRP A 27 -23.577 -14.624 -8.370 1.00 0.00 C ATOM 0 H TRP A 27 -18.726 -11.258 -9.091 1.00 0.00 H new ATOM 0 HA TRP A 27 -18.688 -11.689 -6.141 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -18.204 -13.785 -8.299 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.547 -13.947 -6.683 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -19.198 -14.488 -4.716 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -21.673 -15.219 -4.586 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -20.590 -13.442 -9.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -23.941 -15.326 -6.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -22.911 -13.867 -10.275 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -24.587 -14.807 -8.705 1.00 0.00 H new ATOM 391 N LEU A 28 -16.339 -10.857 -6.264 1.00 0.00 N ATOM 392 CA LEU A 28 -14.932 -10.359 -6.352 1.00 0.00 C ATOM 393 C LEU A 28 -14.048 -11.204 -5.439 1.00 0.00 C ATOM 394 O LEU A 28 -14.471 -12.215 -4.917 1.00 0.00 O ATOM 395 CB LEU A 28 -14.854 -8.894 -5.903 1.00 0.00 C ATOM 396 CG LEU A 28 -16.130 -8.151 -6.308 1.00 0.00 C ATOM 397 CD1 LEU A 28 -16.269 -6.887 -5.461 1.00 0.00 C ATOM 398 CD2 LEU A 28 -16.044 -7.762 -7.784 1.00 0.00 C ATOM 0 H LEU A 28 -16.813 -10.669 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.594 -10.433 -7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.722 -8.843 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.985 -8.413 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 28 -16.994 -8.796 -6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -17.177 -6.355 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.325 -7.160 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.405 -6.243 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.952 -7.233 -8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.181 -7.115 -7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.938 -8.661 -8.392 1.00 0.00 H new ATOM 410 N SER A 29 -12.825 -10.804 -5.238 1.00 0.00 N ATOM 411 CA SER A 29 -11.934 -11.599 -4.349 1.00 0.00 C ATOM 412 C SER A 29 -10.504 -11.056 -4.396 1.00 0.00 C ATOM 413 O SER A 29 -9.821 -11.155 -5.396 1.00 0.00 O ATOM 414 CB SER A 29 -11.934 -13.059 -4.802 1.00 0.00 C ATOM 415 OG SER A 29 -12.417 -13.139 -6.135 1.00 0.00 O ATOM 0 H SER A 29 -12.406 -9.969 -5.646 1.00 0.00 H new ATOM 0 HA SER A 29 -12.306 -11.526 -3.327 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.926 -13.469 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.560 -13.657 -4.140 1.00 0.00 H new ATOM 0 HG SER A 29 -12.001 -13.902 -6.589 1.00 0.00 H new ATOM 421 N TRP A 30 -10.041 -10.505 -3.308 1.00 0.00 N ATOM 422 CA TRP A 30 -8.647 -9.980 -3.264 1.00 0.00 C ATOM 423 C TRP A 30 -8.016 -10.407 -1.943 1.00 0.00 C ATOM 424 O TRP A 30 -8.708 -10.697 -0.990 1.00 0.00 O ATOM 425 CB TRP A 30 -8.650 -8.454 -3.364 1.00 0.00 C ATOM 426 CG TRP A 30 -9.303 -7.864 -2.157 1.00 0.00 C ATOM 427 CD1 TRP A 30 -8.673 -7.570 -0.995 1.00 0.00 C ATOM 428 CD2 TRP A 30 -10.696 -7.485 -1.976 1.00 0.00 C ATOM 429 NE1 TRP A 30 -9.597 -7.037 -0.112 1.00 0.00 N ATOM 430 CE2 TRP A 30 -10.857 -6.964 -0.672 1.00 0.00 C ATOM 431 CE3 TRP A 30 -11.827 -7.544 -2.812 1.00 0.00 C ATOM 432 CZ2 TRP A 30 -12.094 -6.517 -0.212 1.00 0.00 C ATOM 433 CZ3 TRP A 30 -13.074 -7.094 -2.353 1.00 0.00 C ATOM 434 CH2 TRP A 30 -13.206 -6.581 -1.054 1.00 0.00 C ATOM 0 H TRP A 30 -10.571 -10.395 -2.443 1.00 0.00 H new ATOM 0 HA TRP A 30 -8.077 -10.378 -4.104 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -7.628 -8.085 -3.452 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -9.180 -8.141 -4.264 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -7.624 -7.725 -0.791 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -9.374 -6.735 0.836 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -11.734 -7.938 -3.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -12.192 -6.124 0.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -13.936 -7.143 -3.002 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -14.168 -6.235 -0.705 1.00 0.00 H new ATOM 445 N LYS A 31 -6.714 -10.450 -1.871 1.00 0.00 N ATOM 446 CA LYS A 31 -6.060 -10.868 -0.597 1.00 0.00 C ATOM 447 C LYS A 31 -4.562 -11.064 -0.825 1.00 0.00 C ATOM 448 O LYS A 31 -4.142 -11.381 -1.922 1.00 0.00 O ATOM 449 CB LYS A 31 -6.658 -12.190 -0.110 1.00 0.00 C ATOM 450 CG LYS A 31 -6.578 -13.229 -1.228 1.00 0.00 C ATOM 451 CD LYS A 31 -6.385 -14.618 -0.616 1.00 0.00 C ATOM 452 CE LYS A 31 -5.946 -15.602 -1.701 1.00 0.00 C ATOM 453 NZ LYS A 31 -5.517 -16.880 -1.065 1.00 0.00 N ATOM 0 H LYS A 31 -6.078 -10.216 -2.633 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.225 -10.092 0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.118 -12.544 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.695 -12.043 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.489 -13.206 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.750 -12.996 -1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.637 -14.577 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.314 -14.957 -0.158 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.766 -15.786 -2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.126 -15.179 -2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.218 -17.551 -1.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.722 -16.697 -0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.311 -17.285 -0.530 1.00 0.00 H new ATOM 467 N PRO A 32 -3.807 -10.876 0.232 1.00 0.00 N ATOM 468 CA PRO A 32 -2.341 -11.021 0.211 1.00 0.00 C ATOM 469 C PRO A 32 -1.941 -12.499 0.206 1.00 0.00 C ATOM 470 O PRO A 32 -1.719 -13.083 -0.834 1.00 0.00 O ATOM 471 CB PRO A 32 -1.890 -10.339 1.504 1.00 0.00 C ATOM 472 CG PRO A 32 -3.114 -10.342 2.449 1.00 0.00 C ATOM 473 CD PRO A 32 -4.356 -10.503 1.554 1.00 0.00 C ATOM 0 HA PRO A 32 -1.885 -10.584 -0.678 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.052 -10.872 1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.552 -9.321 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.046 -11.157 3.169 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.165 -9.415 3.021 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.026 -11.272 1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.930 -9.578 1.500 1.00 0.00 H new ATOM 481 N TRP A 33 -1.839 -13.109 1.357 1.00 0.00 N ATOM 482 CA TRP A 33 -1.443 -14.545 1.393 1.00 0.00 C ATOM 483 C TRP A 33 -1.626 -15.117 2.802 1.00 0.00 C ATOM 484 O TRP A 33 -0.855 -15.943 3.244 1.00 0.00 O ATOM 485 CB TRP A 33 0.025 -14.672 0.979 1.00 0.00 C ATOM 486 CG TRP A 33 0.905 -14.129 2.059 1.00 0.00 C ATOM 487 CD1 TRP A 33 0.632 -13.037 2.809 1.00 0.00 C ATOM 488 CD2 TRP A 33 2.195 -14.629 2.517 1.00 0.00 C ATOM 489 NE1 TRP A 33 1.672 -12.836 3.699 1.00 0.00 N ATOM 490 CE2 TRP A 33 2.659 -13.791 3.558 1.00 0.00 C ATOM 491 CE3 TRP A 33 3.000 -15.718 2.132 1.00 0.00 C ATOM 492 CZ2 TRP A 33 3.877 -14.024 4.196 1.00 0.00 C ATOM 493 CZ3 TRP A 33 4.227 -15.955 2.773 1.00 0.00 C ATOM 494 CH2 TRP A 33 4.664 -15.110 3.802 1.00 0.00 C ATOM 0 H TRP A 33 -2.011 -12.679 2.266 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.076 -15.104 0.704 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.270 -15.717 0.789 1.00 0.00 H new ATOM 0 HB3 TRP A 33 0.198 -14.130 0.049 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -0.253 -12.423 2.727 1.00 0.00 H new ATOM 0 HE1 TRP A 33 1.705 -12.075 4.377 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.672 -16.375 1.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.210 -13.370 4.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.837 -16.793 2.471 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.609 -15.298 4.291 1.00 0.00 H new ATOM 505 N LYS A 34 -2.644 -14.699 3.505 1.00 0.00 N ATOM 506 CA LYS A 34 -2.872 -15.236 4.879 1.00 0.00 C ATOM 507 C LYS A 34 -3.924 -14.380 5.597 1.00 0.00 C ATOM 508 O LYS A 34 -3.819 -13.170 5.616 1.00 0.00 O ATOM 509 CB LYS A 34 -1.565 -15.194 5.675 1.00 0.00 C ATOM 510 CG LYS A 34 -0.906 -13.825 5.504 1.00 0.00 C ATOM 511 CD LYS A 34 -0.918 -13.086 6.843 1.00 0.00 C ATOM 512 CE LYS A 34 0.048 -11.902 6.786 1.00 0.00 C ATOM 513 NZ LYS A 34 -0.223 -10.985 7.930 1.00 0.00 N ATOM 0 H LYS A 34 -3.327 -14.010 3.189 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.222 -16.266 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.763 -15.385 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.892 -15.979 5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.118 -13.944 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.438 -13.244 4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.925 -12.735 7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.630 -13.764 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.078 -12.257 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.069 -11.369 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.434 -10.179 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.201 -10.637 7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.090 -11.498 8.825 1.00 0.00 H new ATOM 527 N PRO A 35 -4.906 -15.032 6.171 1.00 0.00 N ATOM 528 CA PRO A 35 -5.987 -14.349 6.903 1.00 0.00 C ATOM 529 C PRO A 35 -5.523 -13.972 8.314 1.00 0.00 C ATOM 530 O PRO A 35 -4.741 -14.670 8.928 1.00 0.00 O ATOM 531 CB PRO A 35 -7.098 -15.401 6.963 1.00 0.00 C ATOM 532 CG PRO A 35 -6.410 -16.775 6.784 1.00 0.00 C ATOM 533 CD PRO A 35 -5.035 -16.503 6.143 1.00 0.00 C ATOM 0 HA PRO A 35 -6.306 -13.421 6.428 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -7.627 -15.353 7.915 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.836 -15.231 6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.296 -17.279 7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.010 -17.428 6.150 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.233 -16.984 6.703 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.988 -16.887 5.124 1.00 0.00 H new ATOM 541 N SER A 36 -6.003 -12.874 8.833 1.00 0.00 N ATOM 542 CA SER A 36 -5.594 -12.455 10.202 1.00 0.00 C ATOM 543 C SER A 36 -6.822 -12.448 11.115 1.00 0.00 C ATOM 544 O SER A 36 -7.794 -11.767 10.855 1.00 0.00 O ATOM 545 CB SER A 36 -4.988 -11.053 10.149 1.00 0.00 C ATOM 546 OG SER A 36 -6.028 -10.090 10.254 1.00 0.00 O ATOM 0 H SER A 36 -6.661 -12.250 8.367 1.00 0.00 H new ATOM 0 HA SER A 36 -4.853 -13.153 10.591 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.272 -10.922 10.960 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.441 -10.915 9.216 1.00 0.00 H new ATOM 0 HG SER A 36 -6.894 -10.526 10.110 1.00 0.00 H new ATOM 552 N GLU A 37 -6.789 -13.202 12.179 1.00 0.00 N ATOM 553 CA GLU A 37 -7.960 -13.240 13.102 1.00 0.00 C ATOM 554 C GLU A 37 -8.383 -11.810 13.459 1.00 0.00 C ATOM 555 O GLU A 37 -9.080 -11.159 12.707 1.00 0.00 O ATOM 556 CB GLU A 37 -7.582 -14.004 14.373 1.00 0.00 C ATOM 557 CG GLU A 37 -7.892 -15.490 14.185 1.00 0.00 C ATOM 558 CD GLU A 37 -9.399 -15.681 14.006 1.00 0.00 C ATOM 559 OE1 GLU A 37 -9.867 -15.527 12.890 1.00 0.00 O ATOM 560 OE2 GLU A 37 -10.060 -15.974 14.990 1.00 0.00 O ATOM 0 H GLU A 37 -6.003 -13.793 12.450 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.793 -13.745 12.613 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.523 -13.867 14.591 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.136 -13.611 15.225 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.360 -15.875 13.315 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.543 -16.057 15.048 1.00 0.00 H new ATOM 567 N TYR A 38 -7.972 -11.313 14.597 1.00 0.00 N ATOM 568 CA TYR A 38 -8.364 -9.926 14.980 1.00 0.00 C ATOM 569 C TYR A 38 -7.834 -8.948 13.933 1.00 0.00 C ATOM 570 O TYR A 38 -6.957 -9.271 13.158 1.00 0.00 O ATOM 571 CB TYR A 38 -7.778 -9.581 16.352 1.00 0.00 C ATOM 572 CG TYR A 38 -6.272 -9.544 16.270 1.00 0.00 C ATOM 573 CD1 TYR A 38 -5.532 -10.711 16.492 1.00 0.00 C ATOM 574 CD2 TYR A 38 -5.614 -8.344 15.973 1.00 0.00 C ATOM 575 CE1 TYR A 38 -4.134 -10.679 16.419 1.00 0.00 C ATOM 576 CE2 TYR A 38 -4.216 -8.312 15.900 1.00 0.00 C ATOM 577 CZ TYR A 38 -3.476 -9.479 16.122 1.00 0.00 C ATOM 578 OH TYR A 38 -2.098 -9.449 16.050 1.00 0.00 O ATOM 0 H TYR A 38 -7.386 -11.804 15.272 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.451 -9.855 15.031 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.157 -8.615 16.687 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.093 -10.320 17.089 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.039 -11.637 16.720 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.185 -7.443 15.800 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.563 -11.580 16.592 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.709 -7.386 15.672 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.801 -8.540 15.834 1.00 0.00 H new ATOM 588 N MET A 39 -8.362 -7.756 13.895 1.00 0.00 N ATOM 589 CA MET A 39 -7.884 -6.771 12.886 1.00 0.00 C ATOM 590 C MET A 39 -7.866 -5.366 13.490 1.00 0.00 C ATOM 591 O MET A 39 -8.748 -4.987 14.236 1.00 0.00 O ATOM 592 CB MET A 39 -8.821 -6.792 11.677 1.00 0.00 C ATOM 593 CG MET A 39 -8.187 -6.008 10.526 1.00 0.00 C ATOM 594 SD MET A 39 -8.935 -6.522 8.960 1.00 0.00 S ATOM 595 CE MET A 39 -10.213 -5.243 8.886 1.00 0.00 C ATOM 0 H MET A 39 -9.100 -7.423 14.516 1.00 0.00 H new ATOM 0 HA MET A 39 -6.873 -7.038 12.577 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.012 -7.820 11.369 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.784 -6.355 11.942 1.00 0.00 H new ATOM 0 HG2 MET A 39 -8.333 -4.938 10.677 1.00 0.00 H new ATOM 0 HG3 MET A 39 -7.111 -6.183 10.502 1.00 0.00 H new ATOM 0 HE1 MET A 39 -11.174 -5.702 8.654 1.00 0.00 H new ATOM 0 HE2 MET A 39 -10.276 -4.735 9.849 1.00 0.00 H new ATOM 0 HE3 MET A 39 -9.960 -4.520 8.110 1.00 0.00 H new ATOM 605 N GLU A 40 -6.871 -4.589 13.163 1.00 0.00 N ATOM 606 CA GLU A 40 -6.790 -3.202 13.703 1.00 0.00 C ATOM 607 C GLU A 40 -6.668 -2.223 12.534 1.00 0.00 C ATOM 608 O GLU A 40 -5.966 -1.234 12.608 1.00 0.00 O ATOM 609 CB GLU A 40 -5.563 -3.071 14.609 1.00 0.00 C ATOM 610 CG GLU A 40 -5.460 -4.297 15.518 1.00 0.00 C ATOM 611 CD GLU A 40 -4.128 -5.007 15.268 1.00 0.00 C ATOM 612 OE1 GLU A 40 -4.063 -5.795 14.338 1.00 0.00 O ATOM 613 OE2 GLU A 40 -3.194 -4.750 16.010 1.00 0.00 O ATOM 0 H GLU A 40 -6.107 -4.856 12.542 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.686 -2.980 14.282 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.661 -2.978 14.004 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.638 -2.165 15.211 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.533 -3.995 16.563 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.289 -4.978 15.324 1.00 0.00 H new ATOM 620 N GLN A 41 -7.344 -2.498 11.452 1.00 0.00 N ATOM 621 CA GLN A 41 -7.267 -1.595 10.270 1.00 0.00 C ATOM 622 C GLN A 41 -8.664 -1.446 9.650 1.00 0.00 C ATOM 623 O GLN A 41 -9.658 -1.425 10.347 1.00 0.00 O ATOM 624 CB GLN A 41 -6.293 -2.194 9.250 1.00 0.00 C ATOM 625 CG GLN A 41 -6.766 -3.592 8.845 1.00 0.00 C ATOM 626 CD GLN A 41 -5.702 -4.264 7.973 1.00 0.00 C ATOM 627 OE1 GLN A 41 -5.703 -5.468 7.812 1.00 0.00 O ATOM 628 NE2 GLN A 41 -4.786 -3.533 7.395 1.00 0.00 N ATOM 0 H GLN A 41 -7.948 -3.312 11.336 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.911 -0.610 10.572 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.231 -1.552 8.371 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.292 -2.248 9.677 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.955 -4.194 9.734 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.707 -3.524 8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.782 -2.522 7.528 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.075 -3.974 6.811 1.00 0.00 H new ATOM 637 N GLU A 42 -8.753 -1.337 8.349 1.00 0.00 N ATOM 638 CA GLU A 42 -10.091 -1.185 7.702 1.00 0.00 C ATOM 639 C GLU A 42 -9.913 -1.105 6.183 1.00 0.00 C ATOM 640 O GLU A 42 -8.902 -0.643 5.692 1.00 0.00 O ATOM 641 CB GLU A 42 -10.760 0.094 8.213 1.00 0.00 C ATOM 642 CG GLU A 42 -12.171 0.207 7.628 1.00 0.00 C ATOM 643 CD GLU A 42 -12.949 1.297 8.370 1.00 0.00 C ATOM 644 OE1 GLU A 42 -12.550 1.639 9.471 1.00 0.00 O ATOM 645 OE2 GLU A 42 -13.931 1.774 7.824 1.00 0.00 O ATOM 0 H GLU A 42 -7.959 -1.347 7.708 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.718 -2.042 7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.807 0.081 9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.168 0.964 7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.117 0.444 6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.690 -0.748 7.716 1.00 0.00 H new ATOM 652 N CYS A 43 -10.882 -1.557 5.432 1.00 0.00 N ATOM 653 CA CYS A 43 -10.754 -1.508 3.947 1.00 0.00 C ATOM 654 C CYS A 43 -12.102 -1.147 3.318 1.00 0.00 C ATOM 655 O CYS A 43 -13.143 -1.290 3.929 1.00 0.00 O ATOM 656 CB CYS A 43 -10.304 -2.876 3.432 1.00 0.00 C ATOM 657 SG CYS A 43 -8.856 -2.676 2.365 1.00 0.00 S ATOM 0 H CYS A 43 -11.753 -1.956 5.781 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.018 -0.751 3.675 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.063 -3.530 4.270 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.113 -3.352 2.878 1.00 0.00 H new ATOM 662 N GLU A 44 -12.087 -0.685 2.098 1.00 0.00 N ATOM 663 CA GLU A 44 -13.361 -0.317 1.418 1.00 0.00 C ATOM 664 C GLU A 44 -13.244 -0.639 -0.073 1.00 0.00 C ATOM 665 O GLU A 44 -12.172 -0.599 -0.644 1.00 0.00 O ATOM 666 CB GLU A 44 -13.620 1.180 1.598 1.00 0.00 C ATOM 667 CG GLU A 44 -12.555 1.979 0.845 1.00 0.00 C ATOM 668 CD GLU A 44 -12.987 3.442 0.746 1.00 0.00 C ATOM 669 OE1 GLU A 44 -13.998 3.700 0.111 1.00 0.00 O ATOM 670 OE2 GLU A 44 -12.300 4.281 1.305 1.00 0.00 O ATOM 0 H GLU A 44 -11.244 -0.546 1.541 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.186 -0.881 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.612 1.435 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.602 1.438 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.598 1.906 1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.411 1.563 -0.152 1.00 0.00 H new ATOM 677 N LEU A 45 -14.335 -0.961 -0.709 1.00 0.00 N ATOM 678 CA LEU A 45 -14.281 -1.289 -2.162 1.00 0.00 C ATOM 679 C LEU A 45 -15.013 -0.204 -2.956 1.00 0.00 C ATOM 680 O LEU A 45 -15.918 0.435 -2.463 1.00 0.00 O ATOM 681 CB LEU A 45 -14.952 -2.649 -2.393 1.00 0.00 C ATOM 682 CG LEU A 45 -15.277 -2.830 -3.878 1.00 0.00 C ATOM 683 CD1 LEU A 45 -13.982 -3.021 -4.668 1.00 0.00 C ATOM 684 CD2 LEU A 45 -16.167 -4.060 -4.057 1.00 0.00 C ATOM 0 H LEU A 45 -15.262 -1.011 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.244 -1.335 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -14.294 -3.450 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.865 -2.718 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.797 -1.945 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -14.216 -3.150 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.346 -2.145 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -13.459 -3.905 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.399 -4.190 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -15.645 -4.943 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.092 -3.925 -3.496 1.00 0.00 H new ATOM 696 N ARG A 46 -14.628 0.002 -4.185 1.00 0.00 N ATOM 697 CA ARG A 46 -15.299 1.038 -5.020 1.00 0.00 C ATOM 698 C ARG A 46 -15.843 0.378 -6.288 1.00 0.00 C ATOM 699 O ARG A 46 -15.176 -0.420 -6.915 1.00 0.00 O ATOM 700 CB ARG A 46 -14.284 2.117 -5.405 1.00 0.00 C ATOM 701 CG ARG A 46 -14.921 3.499 -5.251 1.00 0.00 C ATOM 702 CD ARG A 46 -14.047 4.545 -5.949 1.00 0.00 C ATOM 703 NE ARG A 46 -14.906 5.639 -6.481 1.00 0.00 N ATOM 704 CZ ARG A 46 -14.384 6.807 -6.748 1.00 0.00 C ATOM 705 NH1 ARG A 46 -13.118 6.902 -7.053 1.00 0.00 N ATOM 706 NH2 ARG A 46 -15.128 7.878 -6.711 1.00 0.00 N ATOM 0 H ARG A 46 -13.874 -0.505 -4.649 1.00 0.00 H new ATOM 0 HA ARG A 46 -16.116 1.493 -4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.399 2.041 -4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.954 1.970 -6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -15.922 3.500 -5.682 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -15.029 3.746 -4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.317 4.950 -5.248 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.486 4.082 -6.761 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.901 5.477 -6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.536 6.065 -7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.711 7.814 -7.261 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.117 7.804 -6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.720 8.790 -6.919 1.00 0.00 H new ATOM 720 N TYR A 47 -17.044 0.698 -6.679 1.00 0.00 N ATOM 721 CA TYR A 47 -17.602 0.078 -7.912 1.00 0.00 C ATOM 722 C TYR A 47 -18.648 1.008 -8.534 1.00 0.00 C ATOM 723 O TYR A 47 -19.628 1.368 -7.912 1.00 0.00 O ATOM 724 CB TYR A 47 -18.223 -1.287 -7.575 1.00 0.00 C ATOM 725 CG TYR A 47 -19.634 -1.124 -7.056 1.00 0.00 C ATOM 726 CD1 TYR A 47 -20.697 -0.961 -7.953 1.00 0.00 C ATOM 727 CD2 TYR A 47 -19.880 -1.148 -5.678 1.00 0.00 C ATOM 728 CE1 TYR A 47 -22.005 -0.819 -7.472 1.00 0.00 C ATOM 729 CE2 TYR A 47 -21.187 -1.006 -5.197 1.00 0.00 C ATOM 730 CZ TYR A 47 -22.249 -0.842 -6.094 1.00 0.00 C ATOM 731 OH TYR A 47 -23.538 -0.703 -5.618 1.00 0.00 O ATOM 0 H TYR A 47 -17.660 1.357 -6.202 1.00 0.00 H new ATOM 0 HA TYR A 47 -16.800 -0.075 -8.634 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -18.229 -1.918 -8.464 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -17.613 -1.794 -6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -20.508 -0.945 -9.016 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -19.061 -1.276 -4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -22.824 -0.692 -8.164 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -21.376 -1.023 -4.134 1.00 0.00 H new ATOM 0 HH TYR A 47 -23.571 -0.977 -4.678 1.00 0.00 H new ATOM 741 N GLN A 48 -18.441 1.398 -9.761 1.00 0.00 N ATOM 742 CA GLN A 48 -19.414 2.300 -10.437 1.00 0.00 C ATOM 743 C GLN A 48 -19.877 1.641 -11.734 1.00 0.00 C ATOM 744 O GLN A 48 -19.147 0.881 -12.329 1.00 0.00 O ATOM 745 CB GLN A 48 -18.732 3.631 -10.757 1.00 0.00 C ATOM 746 CG GLN A 48 -17.634 3.407 -11.797 1.00 0.00 C ATOM 747 CD GLN A 48 -17.785 4.423 -12.930 1.00 0.00 C ATOM 748 OE1 GLN A 48 -18.464 4.098 -13.996 1.00 0.00 O flip ATOM 749 NE2 GLN A 48 -17.281 5.525 -12.844 1.00 0.00 N flip ATOM 0 H GLN A 48 -17.636 1.129 -10.327 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.270 2.480 -9.787 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -19.464 4.345 -11.134 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -18.306 4.060 -9.850 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -16.653 3.508 -11.333 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -17.696 2.393 -12.193 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -16.750 5.779 -12.011 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -17.389 6.196 -13.605 1.00 0.00 H new ATOM 758 N PRO A 49 -21.079 1.948 -12.137 1.00 0.00 N ATOM 759 CA PRO A 49 -21.657 1.388 -13.369 1.00 0.00 C ATOM 760 C PRO A 49 -21.085 2.105 -14.595 1.00 0.00 C ATOM 761 O PRO A 49 -21.427 3.235 -14.883 1.00 0.00 O ATOM 762 CB PRO A 49 -23.155 1.661 -13.217 1.00 0.00 C ATOM 763 CG PRO A 49 -23.284 2.836 -12.217 1.00 0.00 C ATOM 764 CD PRO A 49 -21.971 2.873 -11.411 1.00 0.00 C ATOM 0 HA PRO A 49 -21.438 0.329 -13.509 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -23.603 1.917 -14.177 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -23.676 0.777 -12.848 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -23.442 3.777 -12.743 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -24.140 2.692 -11.558 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -21.555 3.880 -11.372 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -22.126 2.552 -10.381 1.00 0.00 H new ATOM 772 N GLN A 50 -20.214 1.455 -15.316 1.00 0.00 N ATOM 773 CA GLN A 50 -19.615 2.097 -16.518 1.00 0.00 C ATOM 774 C GLN A 50 -20.653 2.161 -17.640 1.00 0.00 C ATOM 775 O GLN A 50 -20.982 1.165 -18.260 1.00 0.00 O ATOM 776 CB GLN A 50 -18.407 1.282 -16.985 1.00 0.00 C ATOM 777 CG GLN A 50 -17.339 2.228 -17.535 1.00 0.00 C ATOM 778 CD GLN A 50 -16.641 1.568 -18.725 1.00 0.00 C ATOM 779 OE1 GLN A 50 -16.699 2.067 -19.831 1.00 0.00 O ATOM 780 NE2 GLN A 50 -15.979 0.460 -18.542 1.00 0.00 N ATOM 0 H GLN A 50 -19.891 0.507 -15.124 1.00 0.00 H new ATOM 0 HA GLN A 50 -19.295 3.108 -16.265 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -18.003 0.702 -16.155 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -18.709 0.571 -17.754 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.795 3.169 -17.843 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -16.612 2.465 -16.758 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -15.931 0.042 -17.613 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.509 0.011 -19.328 1.00 0.00 H new ATOM 789 N LEU A 51 -21.165 3.333 -17.909 1.00 0.00 N ATOM 790 CA LEU A 51 -22.175 3.488 -18.993 1.00 0.00 C ATOM 791 C LEU A 51 -22.220 4.957 -19.424 1.00 0.00 C ATOM 792 O LEU A 51 -21.326 5.724 -19.131 1.00 0.00 O ATOM 793 CB LEU A 51 -23.555 3.049 -18.483 1.00 0.00 C ATOM 794 CG LEU A 51 -24.139 4.123 -17.561 1.00 0.00 C ATOM 795 CD1 LEU A 51 -25.394 4.717 -18.204 1.00 0.00 C ATOM 796 CD2 LEU A 51 -24.513 3.494 -16.218 1.00 0.00 C ATOM 0 H LEU A 51 -20.924 4.195 -17.420 1.00 0.00 H new ATOM 0 HA LEU A 51 -21.901 2.865 -19.845 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -24.225 2.877 -19.325 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -23.470 2.104 -17.946 1.00 0.00 H new ATOM 0 HG LEU A 51 -23.399 4.908 -17.405 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -25.811 5.482 -17.549 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -25.134 5.163 -19.164 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -26.132 3.929 -18.358 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -24.929 4.258 -15.561 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -25.254 2.710 -16.377 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -23.624 3.065 -15.757 1.00 0.00 H new ATOM 808 N LYS A 52 -23.251 5.355 -20.116 1.00 0.00 N ATOM 809 CA LYS A 52 -23.340 6.775 -20.560 1.00 0.00 C ATOM 810 C LYS A 52 -22.962 7.701 -19.399 1.00 0.00 C ATOM 811 O LYS A 52 -22.297 8.701 -19.584 1.00 0.00 O ATOM 812 CB LYS A 52 -24.767 7.078 -21.020 1.00 0.00 C ATOM 813 CG LYS A 52 -24.808 7.115 -22.549 1.00 0.00 C ATOM 814 CD LYS A 52 -24.711 5.692 -23.098 1.00 0.00 C ATOM 815 CE LYS A 52 -23.296 5.439 -23.619 1.00 0.00 C ATOM 816 NZ LYS A 52 -23.353 4.483 -24.760 1.00 0.00 N ATOM 0 H LYS A 52 -24.033 4.762 -20.393 1.00 0.00 H new ATOM 0 HA LYS A 52 -22.652 6.940 -21.389 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -25.452 6.317 -20.645 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -25.098 8.033 -20.613 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -25.732 7.584 -22.887 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -23.985 7.720 -22.931 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -24.956 4.972 -22.317 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -25.435 5.551 -23.900 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -22.841 6.377 -23.938 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -22.670 5.036 -22.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -22.391 4.310 -25.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -23.771 3.586 -24.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -23.936 4.885 -25.521 1.00 0.00 H new ATOM 830 N GLY A 53 -23.379 7.376 -18.205 1.00 0.00 N ATOM 831 CA GLY A 53 -23.040 8.238 -17.036 1.00 0.00 C ATOM 832 C GLY A 53 -22.724 7.356 -15.826 1.00 0.00 C ATOM 833 O GLY A 53 -22.571 6.157 -15.945 1.00 0.00 O ATOM 0 H GLY A 53 -23.939 6.552 -17.989 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.184 8.870 -17.273 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.873 8.903 -16.807 1.00 0.00 H new ATOM 837 N ALA A 54 -22.622 7.937 -14.660 1.00 0.00 N ATOM 838 CA ALA A 54 -22.318 7.124 -13.446 1.00 0.00 C ATOM 839 C ALA A 54 -22.058 8.050 -12.255 1.00 0.00 C ATOM 840 O ALA A 54 -21.466 9.102 -12.390 1.00 0.00 O ATOM 841 CB ALA A 54 -21.073 6.271 -13.704 1.00 0.00 C ATOM 0 H ALA A 54 -22.736 8.937 -14.496 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.167 6.478 -13.224 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -20.849 5.676 -12.818 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -21.255 5.608 -14.550 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -20.227 6.921 -13.928 1.00 0.00 H new ATOM 847 N ASN A 55 -22.492 7.661 -11.086 1.00 0.00 N ATOM 848 CA ASN A 55 -22.264 8.513 -9.884 1.00 0.00 C ATOM 849 C ASN A 55 -21.298 7.805 -8.929 1.00 0.00 C ATOM 850 O ASN A 55 -20.981 8.304 -7.868 1.00 0.00 O ATOM 851 CB ASN A 55 -23.597 8.762 -9.174 1.00 0.00 C ATOM 852 CG ASN A 55 -24.392 9.821 -9.942 1.00 0.00 C ATOM 853 OD1 ASN A 55 -23.894 10.408 -10.882 1.00 0.00 O ATOM 854 ND2 ASN A 55 -25.616 10.092 -9.578 1.00 0.00 N ATOM 0 H ASN A 55 -22.994 6.790 -10.912 1.00 0.00 H new ATOM 0 HA ASN A 55 -21.834 9.466 -10.192 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -24.168 7.836 -9.114 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -23.420 9.095 -8.151 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -26.154 10.796 -10.083 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -26.034 9.599 -8.789 1.00 0.00 H new ATOM 861 N TRP A 56 -20.823 6.646 -9.305 1.00 0.00 N ATOM 862 CA TRP A 56 -19.867 5.899 -8.437 1.00 0.00 C ATOM 863 C TRP A 56 -20.537 5.483 -7.124 1.00 0.00 C ATOM 864 O TRP A 56 -21.238 6.251 -6.495 1.00 0.00 O ATOM 865 CB TRP A 56 -18.654 6.779 -8.124 1.00 0.00 C ATOM 866 CG TRP A 56 -17.652 6.664 -9.227 1.00 0.00 C ATOM 867 CD1 TRP A 56 -17.516 7.544 -10.245 1.00 0.00 C ATOM 868 CD2 TRP A 56 -16.645 5.632 -9.441 1.00 0.00 C ATOM 869 NE1 TRP A 56 -16.491 7.118 -11.070 1.00 0.00 N ATOM 870 CE2 TRP A 56 -15.924 5.945 -10.616 1.00 0.00 C ATOM 871 CE3 TRP A 56 -16.291 4.466 -8.736 1.00 0.00 C ATOM 872 CZ2 TRP A 56 -14.889 5.132 -11.079 1.00 0.00 C ATOM 873 CZ3 TRP A 56 -15.249 3.645 -9.200 1.00 0.00 C ATOM 874 CH2 TRP A 56 -14.550 3.977 -10.368 1.00 0.00 C ATOM 0 H TRP A 56 -21.059 6.183 -10.183 1.00 0.00 H new ATOM 0 HA TRP A 56 -19.549 5.004 -8.971 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -18.965 7.817 -8.009 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -18.205 6.474 -7.179 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -18.111 8.434 -10.390 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.191 7.611 -11.911 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -16.823 4.201 -7.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -14.354 5.393 -11.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -14.985 2.752 -8.653 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -13.750 3.341 -10.719 1.00 0.00 H new ATOM 885 N THR A 57 -20.302 4.269 -6.704 1.00 0.00 N ATOM 886 CA THR A 57 -20.891 3.779 -5.426 1.00 0.00 C ATOM 887 C THR A 57 -19.762 3.210 -4.565 1.00 0.00 C ATOM 888 O THR A 57 -18.841 2.598 -5.067 1.00 0.00 O ATOM 889 CB THR A 57 -21.919 2.682 -5.718 1.00 0.00 C ATOM 890 OG1 THR A 57 -22.976 3.222 -6.496 1.00 0.00 O ATOM 891 CG2 THR A 57 -22.477 2.140 -4.401 1.00 0.00 C ATOM 0 H THR A 57 -19.722 3.590 -7.197 1.00 0.00 H new ATOM 0 HA THR A 57 -21.388 4.596 -4.904 1.00 0.00 H new ATOM 0 HB THR A 57 -21.440 1.871 -6.268 1.00 0.00 H new ATOM 0 HG1 THR A 57 -23.634 2.521 -6.685 1.00 0.00 H new ATOM 0 HG21 THR A 57 -23.209 1.359 -4.610 1.00 0.00 H new ATOM 0 HG22 THR A 57 -21.664 1.726 -3.805 1.00 0.00 H new ATOM 0 HG23 THR A 57 -22.956 2.948 -3.849 1.00 0.00 H new ATOM 899 N LEU A 58 -19.805 3.417 -3.278 1.00 0.00 N ATOM 900 CA LEU A 58 -18.707 2.895 -2.415 1.00 0.00 C ATOM 901 C LEU A 58 -19.227 1.801 -1.480 1.00 0.00 C ATOM 902 O LEU A 58 -20.416 1.612 -1.319 1.00 0.00 O ATOM 903 CB LEU A 58 -18.131 4.042 -1.586 1.00 0.00 C ATOM 904 CG LEU A 58 -17.931 5.266 -2.480 1.00 0.00 C ATOM 905 CD1 LEU A 58 -17.267 6.382 -1.674 1.00 0.00 C ATOM 906 CD2 LEU A 58 -17.037 4.896 -3.667 1.00 0.00 C ATOM 0 H LEU A 58 -20.545 3.920 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 58 -17.932 2.468 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -18.804 4.285 -0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.181 3.743 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 58 -18.899 5.606 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -17.124 7.255 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.903 6.649 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.300 6.039 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -16.896 5.770 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -16.069 4.554 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -17.509 4.100 -4.244 1.00 0.00 H new ATOM 918 N VAL A 59 -18.328 1.084 -0.862 1.00 0.00 N ATOM 919 CA VAL A 59 -18.731 -0.004 0.073 1.00 0.00 C ATOM 920 C VAL A 59 -17.765 -0.014 1.260 1.00 0.00 C ATOM 921 O VAL A 59 -16.563 -0.030 1.090 1.00 0.00 O ATOM 922 CB VAL A 59 -18.664 -1.352 -0.649 1.00 0.00 C ATOM 923 CG1 VAL A 59 -19.242 -2.444 0.252 1.00 0.00 C ATOM 924 CG2 VAL A 59 -19.480 -1.278 -1.940 1.00 0.00 C ATOM 0 H VAL A 59 -17.321 1.207 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 59 -19.750 0.165 0.422 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.626 -1.586 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -19.194 -3.404 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -18.664 -2.498 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -20.280 -2.210 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.433 -2.237 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -20.518 -1.044 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.072 -0.500 -2.584 1.00 0.00 H new ATOM 934 N PHE A 60 -18.275 0.003 2.459 1.00 0.00 N ATOM 935 CA PHE A 60 -17.372 0.006 3.646 1.00 0.00 C ATOM 936 C PHE A 60 -17.460 -1.339 4.372 1.00 0.00 C ATOM 937 O PHE A 60 -17.852 -2.339 3.804 1.00 0.00 O ATOM 938 CB PHE A 60 -17.789 1.131 4.592 1.00 0.00 C ATOM 939 CG PHE A 60 -18.129 2.358 3.783 1.00 0.00 C ATOM 940 CD1 PHE A 60 -17.309 2.737 2.713 1.00 0.00 C ATOM 941 CD2 PHE A 60 -19.263 3.115 4.099 1.00 0.00 C ATOM 942 CE1 PHE A 60 -17.623 3.874 1.958 1.00 0.00 C ATOM 943 CE2 PHE A 60 -19.576 4.252 3.345 1.00 0.00 C ATOM 944 CZ PHE A 60 -18.757 4.632 2.275 1.00 0.00 C ATOM 0 H PHE A 60 -19.273 0.015 2.670 1.00 0.00 H new ATOM 0 HA PHE A 60 -16.344 0.164 3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -18.649 0.823 5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -16.982 1.353 5.290 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -16.434 2.152 2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -19.896 2.822 4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.991 4.166 1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -20.450 4.837 3.589 1.00 0.00 H new ATOM 0 HZ PHE A 60 -19.000 5.510 1.694 1.00 0.00 H new ATOM 954 N HIS A 61 -17.091 -1.370 5.623 1.00 0.00 N ATOM 955 CA HIS A 61 -17.144 -2.649 6.385 1.00 0.00 C ATOM 956 C HIS A 61 -16.373 -3.725 5.620 1.00 0.00 C ATOM 957 O HIS A 61 -16.585 -4.907 5.807 1.00 0.00 O ATOM 958 CB HIS A 61 -18.601 -3.086 6.555 1.00 0.00 C ATOM 959 CG HIS A 61 -19.278 -2.189 7.553 1.00 0.00 C ATOM 960 ND1 HIS A 61 -19.488 -2.574 8.868 1.00 0.00 N ATOM 961 CD2 HIS A 61 -19.797 -0.922 7.445 1.00 0.00 C ATOM 962 CE1 HIS A 61 -20.109 -1.557 9.493 1.00 0.00 C ATOM 963 NE2 HIS A 61 -20.321 -0.525 8.671 1.00 0.00 N ATOM 0 H HIS A 61 -16.755 -0.564 6.151 1.00 0.00 H new ATOM 0 HA HIS A 61 -16.694 -2.506 7.368 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -19.120 -3.040 5.598 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -18.645 -4.122 6.892 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -19.798 -0.325 6.545 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -20.401 -1.573 10.533 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -20.770 0.363 8.894 1.00 0.00 H new ATOM 971 N LEU A 62 -15.483 -3.323 4.757 1.00 0.00 N ATOM 972 CA LEU A 62 -14.698 -4.316 3.972 1.00 0.00 C ATOM 973 C LEU A 62 -13.398 -4.646 4.716 1.00 0.00 C ATOM 974 O LEU A 62 -12.726 -3.759 5.203 1.00 0.00 O ATOM 975 CB LEU A 62 -14.361 -3.713 2.606 1.00 0.00 C ATOM 976 CG LEU A 62 -14.877 -4.618 1.483 1.00 0.00 C ATOM 977 CD1 LEU A 62 -16.311 -5.058 1.787 1.00 0.00 C ATOM 978 CD2 LEU A 62 -14.860 -3.840 0.166 1.00 0.00 C ATOM 0 H LEU A 62 -15.265 -2.346 4.561 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.281 -5.228 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.807 -2.723 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.282 -3.586 2.513 1.00 0.00 H new ATOM 0 HG LEU A 62 -14.239 -5.498 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.672 -5.701 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.331 -5.606 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.952 -4.180 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -15.226 -4.478 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.501 -2.963 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.841 -3.524 -0.057 1.00 0.00 H new ATOM 990 N PRO A 63 -13.077 -5.916 4.778 1.00 0.00 N ATOM 991 CA PRO A 63 -11.856 -6.391 5.451 1.00 0.00 C ATOM 992 C PRO A 63 -10.639 -6.179 4.544 1.00 0.00 C ATOM 993 O PRO A 63 -10.768 -5.787 3.401 1.00 0.00 O ATOM 994 CB PRO A 63 -12.121 -7.883 5.667 1.00 0.00 C ATOM 995 CG PRO A 63 -13.189 -8.291 4.626 1.00 0.00 C ATOM 996 CD PRO A 63 -13.898 -6.994 4.188 1.00 0.00 C ATOM 0 HA PRO A 63 -11.643 -5.864 6.381 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.208 -8.463 5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.474 -8.072 6.681 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.728 -8.787 3.772 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.901 -8.995 5.057 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.943 -6.912 3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.924 -6.958 4.553 1.00 0.00 H new ATOM 1004 N SER A 64 -9.461 -6.439 5.038 1.00 0.00 N ATOM 1005 CA SER A 64 -8.244 -6.254 4.196 1.00 0.00 C ATOM 1006 C SER A 64 -8.057 -7.480 3.299 1.00 0.00 C ATOM 1007 O SER A 64 -7.067 -7.610 2.605 1.00 0.00 O ATOM 1008 CB SER A 64 -7.019 -6.086 5.097 1.00 0.00 C ATOM 1009 OG SER A 64 -6.451 -7.362 5.361 1.00 0.00 O ATOM 0 H SER A 64 -9.287 -6.771 5.987 1.00 0.00 H new ATOM 0 HA SER A 64 -8.361 -5.365 3.577 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.284 -5.441 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.304 -5.602 6.031 1.00 0.00 H new ATOM 0 HG SER A 64 -5.665 -7.257 5.937 1.00 0.00 H new ATOM 1015 N SER A 65 -9.002 -8.379 3.306 1.00 0.00 N ATOM 1016 CA SER A 65 -8.887 -9.597 2.457 1.00 0.00 C ATOM 1017 C SER A 65 -10.248 -10.292 2.395 1.00 0.00 C ATOM 1018 O SER A 65 -10.848 -10.589 3.409 1.00 0.00 O ATOM 1019 CB SER A 65 -7.855 -10.547 3.065 1.00 0.00 C ATOM 1020 OG SER A 65 -8.441 -11.240 4.158 1.00 0.00 O ATOM 0 H SER A 65 -9.853 -8.322 3.866 1.00 0.00 H new ATOM 0 HA SER A 65 -8.571 -9.318 1.452 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.509 -11.256 2.313 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.982 -9.987 3.400 1.00 0.00 H new ATOM 0 HG SER A 65 -9.330 -10.870 4.341 1.00 0.00 H new ATOM 1026 N LYS A 66 -10.744 -10.547 1.217 1.00 0.00 N ATOM 1027 CA LYS A 66 -12.071 -11.215 1.104 1.00 0.00 C ATOM 1028 C LYS A 66 -11.939 -12.490 0.268 1.00 0.00 C ATOM 1029 O LYS A 66 -11.223 -12.531 -0.713 1.00 0.00 O ATOM 1030 CB LYS A 66 -13.062 -10.263 0.433 1.00 0.00 C ATOM 1031 CG LYS A 66 -14.417 -10.958 0.288 1.00 0.00 C ATOM 1032 CD LYS A 66 -15.482 -10.165 1.049 1.00 0.00 C ATOM 1033 CE LYS A 66 -15.824 -10.885 2.347 1.00 0.00 C ATOM 1034 NZ LYS A 66 -14.769 -10.614 3.363 1.00 0.00 N ATOM 0 H LYS A 66 -10.291 -10.323 0.331 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.431 -11.475 2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.169 -9.355 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.689 -9.963 -0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.688 -11.033 -0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.359 -11.975 0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.118 -9.160 1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.376 -10.056 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.793 -10.549 2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.905 -11.957 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.428 -11.514 3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.977 -10.110 2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.164 -10.029 4.126 1.00 0.00 H new ATOM 1048 N ASP A 67 -12.627 -13.530 0.653 1.00 0.00 N ATOM 1049 CA ASP A 67 -12.549 -14.806 -0.113 1.00 0.00 C ATOM 1050 C ASP A 67 -13.436 -14.713 -1.354 1.00 0.00 C ATOM 1051 O ASP A 67 -12.990 -14.926 -2.464 1.00 0.00 O ATOM 1052 CB ASP A 67 -13.031 -15.959 0.772 1.00 0.00 C ATOM 1053 CG ASP A 67 -12.996 -17.265 -0.023 1.00 0.00 C ATOM 1054 OD1 ASP A 67 -13.628 -17.320 -1.064 1.00 0.00 O ATOM 1055 OD2 ASP A 67 -12.338 -18.190 0.426 1.00 0.00 O ATOM 0 H ASP A 67 -13.241 -13.551 1.467 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.518 -14.985 -0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.398 -16.042 1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.044 -15.762 1.123 1.00 0.00 H new ATOM 1060 N GLN A 68 -14.692 -14.400 -1.178 1.00 0.00 N ATOM 1061 CA GLN A 68 -15.604 -14.300 -2.353 1.00 0.00 C ATOM 1062 C GLN A 68 -16.526 -13.087 -2.196 1.00 0.00 C ATOM 1063 O GLN A 68 -17.692 -13.220 -1.883 1.00 0.00 O ATOM 1064 CB GLN A 68 -16.448 -15.573 -2.451 1.00 0.00 C ATOM 1065 CG GLN A 68 -17.508 -15.402 -3.530 1.00 0.00 C ATOM 1066 CD GLN A 68 -18.090 -16.767 -3.904 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -19.258 -17.022 -3.684 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -17.322 -17.662 -4.462 1.00 0.00 N ATOM 0 H GLN A 68 -15.124 -14.210 -0.274 1.00 0.00 H new ATOM 0 HA GLN A 68 -15.010 -14.183 -3.259 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -15.811 -16.426 -2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.922 -15.782 -1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -18.300 -14.744 -3.174 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.072 -14.929 -4.410 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.342 -17.449 -4.647 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.702 -18.575 -4.713 1.00 0.00 H new ATOM 1077 N PHE A 69 -16.019 -11.905 -2.423 1.00 0.00 N ATOM 1078 CA PHE A 69 -16.878 -10.694 -2.300 1.00 0.00 C ATOM 1079 C PHE A 69 -18.206 -10.959 -3.001 1.00 0.00 C ATOM 1080 O PHE A 69 -18.256 -11.604 -4.029 1.00 0.00 O ATOM 1081 CB PHE A 69 -16.190 -9.504 -2.979 1.00 0.00 C ATOM 1082 CG PHE A 69 -16.944 -8.230 -2.670 1.00 0.00 C ATOM 1083 CD1 PHE A 69 -18.251 -8.047 -3.142 1.00 0.00 C ATOM 1084 CD2 PHE A 69 -16.337 -7.228 -1.906 1.00 0.00 C ATOM 1085 CE1 PHE A 69 -18.945 -6.867 -2.848 1.00 0.00 C ATOM 1086 CE2 PHE A 69 -17.030 -6.049 -1.611 1.00 0.00 C ATOM 1087 CZ PHE A 69 -18.334 -5.868 -2.081 1.00 0.00 C ATOM 0 H PHE A 69 -15.050 -11.727 -2.687 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.043 -10.469 -1.246 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -15.160 -9.421 -2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -16.151 -9.662 -4.057 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -18.724 -8.817 -3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -15.329 -7.365 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -19.952 -6.728 -3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.557 -5.278 -1.020 1.00 0.00 H new ATOM 0 HZ PHE A 69 -18.870 -4.958 -1.853 1.00 0.00 H new ATOM 1097 N GLU A 70 -19.286 -10.462 -2.467 1.00 0.00 N ATOM 1098 CA GLU A 70 -20.595 -10.689 -3.129 1.00 0.00 C ATOM 1099 C GLU A 70 -21.315 -9.349 -3.307 1.00 0.00 C ATOM 1100 O GLU A 70 -21.819 -8.773 -2.364 1.00 0.00 O ATOM 1101 CB GLU A 70 -21.453 -11.621 -2.269 1.00 0.00 C ATOM 1102 CG GLU A 70 -22.308 -12.510 -3.172 1.00 0.00 C ATOM 1103 CD GLU A 70 -22.936 -13.630 -2.340 1.00 0.00 C ATOM 1104 OE1 GLU A 70 -22.202 -14.499 -1.899 1.00 0.00 O ATOM 1105 OE2 GLU A 70 -24.142 -13.600 -2.158 1.00 0.00 O ATOM 0 H GLU A 70 -19.317 -9.913 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.432 -11.148 -4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.815 -12.236 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -22.092 -11.036 -1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.088 -11.917 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.696 -12.934 -3.968 1.00 0.00 H new ATOM 1112 N LEU A 71 -21.364 -8.848 -4.512 1.00 0.00 N ATOM 1113 CA LEU A 71 -22.049 -7.547 -4.756 1.00 0.00 C ATOM 1114 C LEU A 71 -23.321 -7.786 -5.568 1.00 0.00 C ATOM 1115 O LEU A 71 -23.316 -8.515 -6.530 1.00 0.00 O ATOM 1116 CB LEU A 71 -21.122 -6.625 -5.550 1.00 0.00 C ATOM 1117 CG LEU A 71 -21.796 -5.266 -5.730 1.00 0.00 C ATOM 1118 CD1 LEU A 71 -21.883 -4.559 -4.377 1.00 0.00 C ATOM 1119 CD2 LEU A 71 -20.974 -4.413 -6.700 1.00 0.00 C ATOM 0 H LEU A 71 -20.958 -9.285 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 71 -22.300 -7.087 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -20.173 -6.507 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -20.898 -7.065 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 71 -22.799 -5.407 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -22.364 -3.589 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.468 -5.166 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -20.880 -4.417 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -21.455 -3.443 -6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -19.971 -4.270 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -20.911 -4.917 -7.664 1.00 0.00 H new ATOM 1131 N CYS A 72 -24.412 -7.175 -5.202 1.00 0.00 N ATOM 1132 CA CYS A 72 -25.661 -7.387 -5.985 1.00 0.00 C ATOM 1133 C CYS A 72 -26.380 -6.052 -6.182 1.00 0.00 C ATOM 1134 O CYS A 72 -26.436 -5.226 -5.292 1.00 0.00 O ATOM 1135 CB CYS A 72 -26.578 -8.363 -5.246 1.00 0.00 C ATOM 1136 SG CYS A 72 -26.847 -9.827 -6.277 1.00 0.00 S ATOM 0 H CYS A 72 -24.494 -6.545 -4.404 1.00 0.00 H new ATOM 0 HA CYS A 72 -25.405 -7.805 -6.959 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -26.131 -8.651 -4.295 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -27.530 -7.884 -5.018 1.00 0.00 H new ATOM 1141 N GLY A 73 -26.926 -5.834 -7.346 1.00 0.00 N ATOM 1142 CA GLY A 73 -27.641 -4.553 -7.610 1.00 0.00 C ATOM 1143 C GLY A 73 -26.937 -3.809 -8.746 1.00 0.00 C ATOM 1144 O GLY A 73 -26.911 -2.595 -8.784 1.00 0.00 O ATOM 0 H GLY A 73 -26.908 -6.489 -8.128 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -28.679 -4.750 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -27.655 -3.938 -6.710 1.00 0.00 H new ATOM 1148 N LEU A 74 -26.361 -4.531 -9.669 1.00 0.00 N ATOM 1149 CA LEU A 74 -25.652 -3.872 -10.804 1.00 0.00 C ATOM 1150 C LEU A 74 -26.429 -4.127 -12.097 1.00 0.00 C ATOM 1151 O LEU A 74 -26.023 -4.910 -12.931 1.00 0.00 O ATOM 1152 CB LEU A 74 -24.233 -4.445 -10.944 1.00 0.00 C ATOM 1153 CG LEU A 74 -23.840 -5.203 -9.672 1.00 0.00 C ATOM 1154 CD1 LEU A 74 -22.475 -5.863 -9.867 1.00 0.00 C ATOM 1155 CD2 LEU A 74 -23.771 -4.226 -8.495 1.00 0.00 C ATOM 0 H LEU A 74 -26.351 -5.551 -9.686 1.00 0.00 H new ATOM 0 HA LEU A 74 -25.587 -2.801 -10.613 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -24.186 -5.114 -11.804 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -23.524 -3.638 -11.129 1.00 0.00 H new ATOM 0 HG LEU A 74 -24.586 -5.970 -9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -22.198 -6.401 -8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.524 -6.561 -10.703 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -21.728 -5.098 -10.077 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -23.491 -4.766 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.027 -3.457 -8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -24.745 -3.759 -8.352 1.00 0.00 H new ATOM 1167 N HIS A 75 -27.546 -3.475 -12.268 1.00 0.00 N ATOM 1168 CA HIS A 75 -28.348 -3.687 -13.504 1.00 0.00 C ATOM 1169 C HIS A 75 -28.621 -2.340 -14.178 1.00 0.00 C ATOM 1170 O HIS A 75 -29.745 -2.016 -14.503 1.00 0.00 O ATOM 1171 CB HIS A 75 -29.674 -4.355 -13.138 1.00 0.00 C ATOM 1172 CG HIS A 75 -30.319 -3.595 -12.012 1.00 0.00 C ATOM 1173 ND1 HIS A 75 -31.228 -2.574 -12.237 1.00 0.00 N ATOM 1174 CD2 HIS A 75 -30.197 -3.697 -10.649 1.00 0.00 C ATOM 1175 CE1 HIS A 75 -31.615 -2.105 -11.036 1.00 0.00 C ATOM 1176 NE2 HIS A 75 -31.016 -2.755 -10.034 1.00 0.00 N ATOM 0 H HIS A 75 -27.937 -2.805 -11.605 1.00 0.00 H new ATOM 0 HA HIS A 75 -27.795 -4.327 -14.191 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -30.335 -4.375 -14.004 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -29.504 -5.390 -12.843 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -31.546 -2.239 -13.146 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -29.562 -4.401 -10.132 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -32.323 -1.301 -10.899 1.00 0.00 H new ATOM 1184 N GLN A 76 -27.600 -1.556 -14.390 1.00 0.00 N ATOM 1185 CA GLN A 76 -27.799 -0.232 -15.044 1.00 0.00 C ATOM 1186 C GLN A 76 -26.788 -0.069 -16.179 1.00 0.00 C ATOM 1187 O GLN A 76 -27.139 0.246 -17.298 1.00 0.00 O ATOM 1188 CB GLN A 76 -27.588 0.885 -14.018 1.00 0.00 C ATOM 1189 CG GLN A 76 -28.820 1.001 -13.123 1.00 0.00 C ATOM 1190 CD GLN A 76 -28.439 1.701 -11.816 1.00 0.00 C ATOM 1191 OE1 GLN A 76 -27.453 1.355 -11.194 1.00 0.00 O ATOM 1192 NE2 GLN A 76 -29.182 2.676 -11.370 1.00 0.00 N ATOM 0 H GLN A 76 -26.636 -1.775 -14.138 1.00 0.00 H new ATOM 0 HA GLN A 76 -28.812 -0.175 -15.442 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -26.706 0.675 -13.413 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -27.407 1.831 -14.528 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -29.602 1.563 -13.634 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -29.224 0.011 -12.913 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -30.009 2.967 -11.891 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -28.936 3.148 -10.500 1.00 0.00 H new ATOM 1201 N ALA A 77 -25.533 -0.278 -15.893 1.00 0.00 N ATOM 1202 CA ALA A 77 -24.491 -0.131 -16.948 1.00 0.00 C ATOM 1203 C ALA A 77 -24.184 -1.496 -17.566 1.00 0.00 C ATOM 1204 O ALA A 77 -24.358 -2.516 -16.931 1.00 0.00 O ATOM 1205 CB ALA A 77 -23.215 0.434 -16.319 1.00 0.00 C ATOM 0 H ALA A 77 -25.183 -0.545 -14.973 1.00 0.00 H new ATOM 0 HA ALA A 77 -24.854 0.544 -17.723 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -22.449 0.544 -17.086 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -23.428 1.407 -15.877 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -22.859 -0.246 -15.545 1.00 0.00 H new ATOM 1211 N PRO A 78 -23.717 -1.469 -18.789 1.00 0.00 N ATOM 1212 CA PRO A 78 -23.354 -2.690 -19.525 1.00 0.00 C ATOM 1213 C PRO A 78 -22.001 -3.201 -19.026 1.00 0.00 C ATOM 1214 O PRO A 78 -21.758 -4.390 -18.955 1.00 0.00 O ATOM 1215 CB PRO A 78 -23.268 -2.222 -20.980 1.00 0.00 C ATOM 1216 CG PRO A 78 -23.028 -0.694 -20.932 1.00 0.00 C ATOM 1217 CD PRO A 78 -23.508 -0.219 -19.548 1.00 0.00 C ATOM 0 HA PRO A 78 -24.062 -3.509 -19.398 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -22.456 -2.727 -21.503 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -24.187 -2.454 -21.518 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -21.973 -0.462 -21.077 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -23.577 -0.190 -21.727 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -22.767 0.420 -19.067 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -24.428 0.360 -19.623 1.00 0.00 H new ATOM 1225 N VAL A 79 -21.126 -2.301 -18.663 1.00 0.00 N ATOM 1226 CA VAL A 79 -19.790 -2.714 -18.146 1.00 0.00 C ATOM 1227 C VAL A 79 -19.571 -2.039 -16.791 1.00 0.00 C ATOM 1228 O VAL A 79 -19.854 -0.870 -16.620 1.00 0.00 O ATOM 1229 CB VAL A 79 -18.699 -2.281 -19.130 1.00 0.00 C ATOM 1230 CG1 VAL A 79 -18.956 -0.845 -19.586 1.00 0.00 C ATOM 1231 CG2 VAL A 79 -17.331 -2.362 -18.447 1.00 0.00 C ATOM 0 H VAL A 79 -21.281 -1.294 -18.703 1.00 0.00 H new ATOM 0 HA VAL A 79 -19.746 -3.797 -18.034 1.00 0.00 H new ATOM 0 HB VAL A 79 -18.713 -2.943 -19.996 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -18.178 -0.541 -20.286 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -19.928 -0.787 -20.076 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -18.946 -0.181 -18.721 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.555 -2.054 -19.148 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -17.318 -1.703 -17.579 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -17.144 -3.387 -18.127 1.00 0.00 H new ATOM 1241 N TYR A 80 -19.094 -2.765 -15.818 1.00 0.00 N ATOM 1242 CA TYR A 80 -18.891 -2.154 -14.474 1.00 0.00 C ATOM 1243 C TYR A 80 -17.400 -2.000 -14.169 1.00 0.00 C ATOM 1244 O TYR A 80 -16.582 -2.811 -14.555 1.00 0.00 O ATOM 1245 CB TYR A 80 -19.534 -3.045 -13.412 1.00 0.00 C ATOM 1246 CG TYR A 80 -20.917 -2.530 -13.097 1.00 0.00 C ATOM 1247 CD1 TYR A 80 -22.010 -2.944 -13.867 1.00 0.00 C ATOM 1248 CD2 TYR A 80 -21.106 -1.636 -12.037 1.00 0.00 C ATOM 1249 CE1 TYR A 80 -23.292 -2.465 -13.576 1.00 0.00 C ATOM 1250 CE2 TYR A 80 -22.389 -1.156 -11.746 1.00 0.00 C ATOM 1251 CZ TYR A 80 -23.482 -1.571 -12.516 1.00 0.00 C ATOM 1252 OH TYR A 80 -24.746 -1.098 -12.229 1.00 0.00 O ATOM 0 H TYR A 80 -18.837 -3.749 -15.894 1.00 0.00 H new ATOM 0 HA TYR A 80 -19.353 -1.167 -14.466 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -19.589 -4.073 -13.769 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.923 -3.053 -12.510 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.864 -3.633 -14.686 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -20.262 -1.316 -11.443 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -24.135 -2.785 -14.170 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -22.535 -0.466 -10.928 1.00 0.00 H new ATOM 0 HH TYR A 80 -24.694 -0.452 -11.494 1.00 0.00 H new ATOM 1262 N THR A 81 -17.051 -0.959 -13.462 1.00 0.00 N ATOM 1263 CA THR A 81 -15.624 -0.727 -13.097 1.00 0.00 C ATOM 1264 C THR A 81 -15.472 -0.897 -11.584 1.00 0.00 C ATOM 1265 O THR A 81 -16.419 -0.737 -10.840 1.00 0.00 O ATOM 1266 CB THR A 81 -15.225 0.698 -13.495 1.00 0.00 C ATOM 1267 OG1 THR A 81 -15.231 0.812 -14.910 1.00 0.00 O ATOM 1268 CG2 THR A 81 -13.826 1.011 -12.960 1.00 0.00 C ATOM 0 H THR A 81 -17.701 -0.252 -13.118 1.00 0.00 H new ATOM 0 HA THR A 81 -14.983 -1.439 -13.617 1.00 0.00 H new ATOM 0 HB THR A 81 -15.937 1.405 -13.070 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.978 1.723 -15.166 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.546 2.025 -13.245 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.825 0.926 -11.873 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.109 0.305 -13.380 1.00 0.00 H new ATOM 1276 N LEU A 82 -14.300 -1.229 -11.112 1.00 0.00 N ATOM 1277 CA LEU A 82 -14.130 -1.411 -9.644 1.00 0.00 C ATOM 1278 C LEU A 82 -12.681 -1.142 -9.227 1.00 0.00 C ATOM 1279 O LEU A 82 -11.747 -1.637 -9.823 1.00 0.00 O ATOM 1280 CB LEU A 82 -14.502 -2.846 -9.272 1.00 0.00 C ATOM 1281 CG LEU A 82 -16.022 -2.962 -9.157 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -16.603 -3.443 -10.489 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -16.374 -3.966 -8.058 1.00 0.00 C ATOM 0 H LEU A 82 -13.462 -1.380 -11.674 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.779 -0.705 -9.126 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -14.129 -3.538 -10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.033 -3.122 -8.328 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.441 -1.987 -8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.687 -3.525 -10.405 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.353 -2.729 -11.274 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.184 -4.418 -10.738 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.458 -4.050 -7.975 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -15.953 -4.940 -8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -15.963 -3.625 -7.108 1.00 0.00 H new ATOM 1295 N GLN A 83 -12.496 -0.376 -8.187 1.00 0.00 N ATOM 1296 CA GLN A 83 -11.119 -0.085 -7.696 1.00 0.00 C ATOM 1297 C GLN A 83 -10.993 -0.625 -6.272 1.00 0.00 C ATOM 1298 O GLN A 83 -11.870 -1.307 -5.781 1.00 0.00 O ATOM 1299 CB GLN A 83 -10.871 1.427 -7.693 1.00 0.00 C ATOM 1300 CG GLN A 83 -9.601 1.739 -8.486 1.00 0.00 C ATOM 1301 CD GLN A 83 -9.979 2.338 -9.842 1.00 0.00 C ATOM 1302 OE1 GLN A 83 -11.122 2.276 -10.248 1.00 0.00 O ATOM 1303 NE2 GLN A 83 -9.061 2.919 -10.566 1.00 0.00 N ATOM 0 H GLN A 83 -13.245 0.064 -7.653 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.385 -0.558 -8.349 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -11.723 1.947 -8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -10.771 1.787 -6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.975 2.437 -7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.016 0.830 -8.628 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.101 2.972 -10.226 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.304 3.320 -11.472 1.00 0.00 H new ATOM 1312 N MET A 84 -9.919 -0.330 -5.597 1.00 0.00 N ATOM 1313 CA MET A 84 -9.767 -0.840 -4.205 1.00 0.00 C ATOM 1314 C MET A 84 -8.871 0.103 -3.403 1.00 0.00 C ATOM 1315 O MET A 84 -7.882 0.604 -3.894 1.00 0.00 O ATOM 1316 CB MET A 84 -9.138 -2.232 -4.238 1.00 0.00 C ATOM 1317 CG MET A 84 -9.648 -3.053 -3.052 1.00 0.00 C ATOM 1318 SD MET A 84 -10.904 -4.221 -3.626 1.00 0.00 S ATOM 1319 CE MET A 84 -11.999 -4.099 -2.191 1.00 0.00 C ATOM 0 H MET A 84 -9.145 0.237 -5.944 1.00 0.00 H new ATOM 0 HA MET A 84 -10.748 -0.893 -3.733 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.387 -2.733 -5.174 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.052 -2.152 -4.198 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.822 -3.590 -2.585 1.00 0.00 H new ATOM 0 HG3 MET A 84 -10.069 -2.393 -2.293 1.00 0.00 H new ATOM 0 HE1 MET A 84 -12.910 -4.668 -2.379 1.00 0.00 H new ATOM 0 HE2 MET A 84 -11.494 -4.502 -1.313 1.00 0.00 H new ATOM 0 HE3 MET A 84 -12.254 -3.054 -2.016 1.00 0.00 H new ATOM 1329 N ARG A 85 -9.213 0.344 -2.169 1.00 0.00 N ATOM 1330 CA ARG A 85 -8.385 1.252 -1.328 1.00 0.00 C ATOM 1331 C ARG A 85 -8.444 0.782 0.125 1.00 0.00 C ATOM 1332 O ARG A 85 -9.409 0.177 0.550 1.00 0.00 O ATOM 1333 CB ARG A 85 -8.942 2.673 -1.426 1.00 0.00 C ATOM 1334 CG ARG A 85 -7.946 3.659 -0.816 1.00 0.00 C ATOM 1335 CD ARG A 85 -8.097 5.018 -1.497 1.00 0.00 C ATOM 1336 NE ARG A 85 -8.335 6.074 -0.475 1.00 0.00 N ATOM 1337 CZ ARG A 85 -9.545 6.311 -0.047 1.00 0.00 C ATOM 1338 NH1 ARG A 85 -10.518 5.496 -0.347 1.00 0.00 N ATOM 1339 NH2 ARG A 85 -9.781 7.370 0.680 1.00 0.00 N ATOM 0 H ARG A 85 -10.032 -0.049 -1.705 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.352 1.239 -1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -9.130 2.929 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.897 2.736 -0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.122 3.755 0.255 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.928 3.289 -0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.199 5.249 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.926 4.990 -2.204 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.551 6.613 -0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.334 4.671 -0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.463 5.684 -0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.021 8.009 0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.726 7.558 1.016 1.00 0.00 H new ATOM 1353 N CYS A 86 -7.428 1.051 0.896 1.00 0.00 N ATOM 1354 CA CYS A 86 -7.448 0.610 2.318 1.00 0.00 C ATOM 1355 C CYS A 86 -6.884 1.713 3.214 1.00 0.00 C ATOM 1356 O CYS A 86 -6.432 2.740 2.749 1.00 0.00 O ATOM 1357 CB CYS A 86 -6.607 -0.658 2.474 1.00 0.00 C ATOM 1358 SG CYS A 86 -7.470 -1.820 3.560 1.00 0.00 S ATOM 0 H CYS A 86 -6.590 1.554 0.605 1.00 0.00 H new ATOM 0 HA CYS A 86 -8.477 0.402 2.613 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.433 -1.114 1.500 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.630 -0.411 2.890 1.00 0.00 H new ATOM 1363 N ILE A 87 -6.917 1.505 4.501 1.00 0.00 N ATOM 1364 CA ILE A 87 -6.394 2.532 5.443 1.00 0.00 C ATOM 1365 C ILE A 87 -6.154 1.869 6.810 1.00 0.00 C ATOM 1366 O ILE A 87 -5.894 0.685 6.887 1.00 0.00 O ATOM 1367 CB ILE A 87 -7.422 3.669 5.553 1.00 0.00 C ATOM 1368 CG1 ILE A 87 -6.711 4.959 6.019 1.00 0.00 C ATOM 1369 CG2 ILE A 87 -8.541 3.262 6.524 1.00 0.00 C ATOM 1370 CD1 ILE A 87 -7.594 5.754 6.987 1.00 0.00 C ATOM 0 H ILE A 87 -7.286 0.663 4.942 1.00 0.00 H new ATOM 0 HA ILE A 87 -5.452 2.948 5.086 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.874 3.861 4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.770 4.704 6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.466 5.576 5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.268 4.070 6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.034 2.363 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.115 3.064 7.507 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.070 6.657 7.300 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.524 6.028 6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.817 5.143 7.862 1.00 0.00 H new ATOM 1382 N ARG A 88 -6.238 2.607 7.884 1.00 0.00 N ATOM 1383 CA ARG A 88 -6.012 1.994 9.224 1.00 0.00 C ATOM 1384 C ARG A 88 -7.360 1.748 9.902 1.00 0.00 C ATOM 1385 O ARG A 88 -8.353 1.489 9.252 1.00 0.00 O ATOM 1386 CB ARG A 88 -5.173 2.941 10.083 1.00 0.00 C ATOM 1387 CG ARG A 88 -3.959 3.415 9.282 1.00 0.00 C ATOM 1388 CD ARG A 88 -3.653 4.873 9.632 1.00 0.00 C ATOM 1389 NE ARG A 88 -2.536 4.924 10.616 1.00 0.00 N ATOM 1390 CZ ARG A 88 -2.633 4.283 11.748 1.00 0.00 C ATOM 1391 NH1 ARG A 88 -3.437 4.719 12.680 1.00 0.00 N ATOM 1392 NH2 ARG A 88 -1.928 3.203 11.948 1.00 0.00 N ATOM 0 H ARG A 88 -6.453 3.604 7.892 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.484 1.047 9.108 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.774 3.796 10.394 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.847 2.433 10.991 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.096 2.788 9.505 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.155 3.320 8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.384 5.425 8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.540 5.352 10.047 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.695 5.460 10.405 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.990 5.562 12.523 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.512 4.217 13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.302 2.861 11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.003 2.701 12.833 1.00 0.00 H new ATOM 1406 N SER A 89 -7.407 1.826 11.204 1.00 0.00 N ATOM 1407 CA SER A 89 -8.697 1.599 11.911 1.00 0.00 C ATOM 1408 C SER A 89 -9.793 2.431 11.239 1.00 0.00 C ATOM 1409 O SER A 89 -10.392 2.011 10.268 1.00 0.00 O ATOM 1410 CB SER A 89 -8.558 2.016 13.376 1.00 0.00 C ATOM 1411 OG SER A 89 -9.840 2.349 13.891 1.00 0.00 O ATOM 0 H SER A 89 -6.611 2.036 11.806 1.00 0.00 H new ATOM 0 HA SER A 89 -8.961 0.543 11.863 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.119 1.205 13.957 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.886 2.870 13.461 1.00 0.00 H new ATOM 0 HG SER A 89 -9.756 2.615 14.830 1.00 0.00 H new ATOM 1417 N SER A 90 -10.063 3.605 11.742 1.00 0.00 N ATOM 1418 CA SER A 90 -11.123 4.449 11.121 1.00 0.00 C ATOM 1419 C SER A 90 -10.619 5.885 10.931 1.00 0.00 C ATOM 1420 O SER A 90 -11.252 6.688 10.276 1.00 0.00 O ATOM 1421 CB SER A 90 -12.356 4.459 12.027 1.00 0.00 C ATOM 1422 OG SER A 90 -13.527 4.365 11.227 1.00 0.00 O ATOM 0 H SER A 90 -9.598 4.015 12.552 1.00 0.00 H new ATOM 0 HA SER A 90 -11.381 4.034 10.146 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.313 3.626 12.728 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.379 5.374 12.620 1.00 0.00 H new ATOM 0 HG SER A 90 -14.319 4.370 11.804 1.00 0.00 H new ATOM 1428 N LEU A 91 -9.491 6.223 11.499 1.00 0.00 N ATOM 1429 CA LEU A 91 -8.975 7.616 11.340 1.00 0.00 C ATOM 1430 C LEU A 91 -8.163 7.738 10.043 1.00 0.00 C ATOM 1431 O LEU A 91 -7.679 6.756 9.518 1.00 0.00 O ATOM 1432 CB LEU A 91 -8.107 8.029 12.547 1.00 0.00 C ATOM 1433 CG LEU A 91 -7.115 6.927 12.962 1.00 0.00 C ATOM 1434 CD1 LEU A 91 -7.802 5.936 13.903 1.00 0.00 C ATOM 1435 CD2 LEU A 91 -6.581 6.185 11.732 1.00 0.00 C ATOM 0 H LEU A 91 -8.909 5.602 12.061 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.832 8.288 11.290 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.555 8.936 12.301 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.754 8.268 13.391 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.276 7.396 13.476 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.095 5.159 14.193 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.149 6.461 14.793 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.652 5.481 13.395 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.882 5.411 12.049 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.411 5.726 11.195 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.069 6.889 11.076 1.00 0.00 H new ATOM 1447 N PRO A 92 -8.052 8.951 9.561 1.00 0.00 N ATOM 1448 CA PRO A 92 -7.311 9.254 8.322 1.00 0.00 C ATOM 1449 C PRO A 92 -5.807 9.329 8.600 1.00 0.00 C ATOM 1450 O PRO A 92 -5.359 9.105 9.706 1.00 0.00 O ATOM 1451 CB PRO A 92 -7.849 10.628 7.915 1.00 0.00 C ATOM 1452 CG PRO A 92 -8.412 11.278 9.202 1.00 0.00 C ATOM 1453 CD PRO A 92 -8.659 10.134 10.205 1.00 0.00 C ATOM 0 HA PRO A 92 -7.442 8.496 7.550 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.058 11.242 7.484 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.626 10.531 7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.708 12.004 9.609 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.337 11.815 8.992 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.197 10.343 11.170 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.724 9.986 10.387 1.00 0.00 H new ATOM 1461 N GLY A 93 -5.026 9.653 7.605 1.00 0.00 N ATOM 1462 CA GLY A 93 -3.554 9.751 7.817 1.00 0.00 C ATOM 1463 C GLY A 93 -2.814 9.156 6.617 1.00 0.00 C ATOM 1464 O GLY A 93 -1.619 9.321 6.471 1.00 0.00 O ATOM 0 H GLY A 93 -5.343 9.854 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.266 10.793 7.952 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.273 9.222 8.728 1.00 0.00 H new ATOM 1468 N PHE A 94 -3.507 8.459 5.759 1.00 0.00 N ATOM 1469 CA PHE A 94 -2.827 7.853 4.579 1.00 0.00 C ATOM 1470 C PHE A 94 -3.872 7.379 3.566 1.00 0.00 C ATOM 1471 O PHE A 94 -4.083 7.998 2.543 1.00 0.00 O ATOM 1472 CB PHE A 94 -1.989 6.660 5.040 1.00 0.00 C ATOM 1473 CG PHE A 94 -1.325 6.019 3.845 1.00 0.00 C ATOM 1474 CD1 PHE A 94 -0.415 6.754 3.076 1.00 0.00 C ATOM 1475 CD2 PHE A 94 -1.618 4.693 3.506 1.00 0.00 C ATOM 1476 CE1 PHE A 94 0.203 6.163 1.967 1.00 0.00 C ATOM 1477 CE2 PHE A 94 -1.002 4.102 2.396 1.00 0.00 C ATOM 1478 CZ PHE A 94 -0.091 4.837 1.628 1.00 0.00 C ATOM 0 H PHE A 94 -4.510 8.283 5.823 1.00 0.00 H new ATOM 0 HA PHE A 94 -2.184 8.597 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.235 6.987 5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.621 5.934 5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.189 7.777 3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.319 4.126 4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.906 6.730 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.230 3.080 2.132 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.385 4.380 0.773 1.00 0.00 H new ATOM 1488 N TRP A 95 -4.522 6.278 3.847 1.00 0.00 N ATOM 1489 CA TRP A 95 -5.560 5.739 2.917 1.00 0.00 C ATOM 1490 C TRP A 95 -4.927 5.217 1.615 1.00 0.00 C ATOM 1491 O TRP A 95 -5.605 4.648 0.783 1.00 0.00 O ATOM 1492 CB TRP A 95 -6.572 6.837 2.587 1.00 0.00 C ATOM 1493 CG TRP A 95 -7.740 6.724 3.511 1.00 0.00 C ATOM 1494 CD1 TRP A 95 -8.005 7.568 4.533 1.00 0.00 C ATOM 1495 CD2 TRP A 95 -8.797 5.725 3.519 1.00 0.00 C ATOM 1496 NE1 TRP A 95 -9.161 7.153 5.166 1.00 0.00 N ATOM 1497 CE2 TRP A 95 -9.686 6.019 4.579 1.00 0.00 C ATOM 1498 CE3 TRP A 95 -9.068 4.602 2.718 1.00 0.00 C ATOM 1499 CZ2 TRP A 95 -10.806 5.228 4.834 1.00 0.00 C ATOM 1500 CZ3 TRP A 95 -10.194 3.803 2.972 1.00 0.00 C ATOM 1501 CH2 TRP A 95 -11.061 4.115 4.028 1.00 0.00 C ATOM 0 H TRP A 95 -4.376 5.724 4.691 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.060 4.906 3.412 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.108 7.818 2.687 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -6.902 6.745 1.552 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -7.411 8.426 4.810 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.576 7.626 5.969 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -8.406 4.352 1.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -11.471 5.474 5.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -10.393 2.943 2.350 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.925 3.496 4.219 1.00 0.00 H new ATOM 1512 N SER A 96 -3.642 5.389 1.431 1.00 0.00 N ATOM 1513 CA SER A 96 -2.991 4.890 0.183 1.00 0.00 C ATOM 1514 C SER A 96 -3.721 5.452 -1.044 1.00 0.00 C ATOM 1515 O SER A 96 -4.812 5.975 -0.932 1.00 0.00 O ATOM 1516 CB SER A 96 -3.047 3.361 0.155 1.00 0.00 C ATOM 1517 OG SER A 96 -4.108 2.941 -0.692 1.00 0.00 O ATOM 0 H SER A 96 -3.017 5.853 2.090 1.00 0.00 H new ATOM 0 HA SER A 96 -1.952 5.217 0.164 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.100 2.958 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.197 2.973 1.163 1.00 0.00 H new ATOM 0 HG SER A 96 -4.949 3.340 -0.385 1.00 0.00 H new ATOM 1523 N PRO A 97 -3.090 5.325 -2.186 1.00 0.00 N ATOM 1524 CA PRO A 97 -3.652 5.808 -3.459 1.00 0.00 C ATOM 1525 C PRO A 97 -4.698 4.821 -3.987 1.00 0.00 C ATOM 1526 O PRO A 97 -4.510 3.621 -3.938 1.00 0.00 O ATOM 1527 CB PRO A 97 -2.436 5.866 -4.388 1.00 0.00 C ATOM 1528 CG PRO A 97 -1.387 4.895 -3.795 1.00 0.00 C ATOM 1529 CD PRO A 97 -1.761 4.693 -2.313 1.00 0.00 C ATOM 0 HA PRO A 97 -4.159 6.769 -3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.708 5.572 -5.402 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -2.039 6.879 -4.445 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.393 3.945 -4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.382 5.306 -3.888 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.796 3.635 -2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.032 5.161 -1.651 1.00 0.00 H new ATOM 1537 N TRP A 98 -5.797 5.314 -4.488 1.00 0.00 N ATOM 1538 CA TRP A 98 -6.852 4.403 -5.016 1.00 0.00 C ATOM 1539 C TRP A 98 -6.212 3.345 -5.916 1.00 0.00 C ATOM 1540 O TRP A 98 -6.026 3.551 -7.098 1.00 0.00 O ATOM 1541 CB TRP A 98 -7.869 5.210 -5.822 1.00 0.00 C ATOM 1542 CG TRP A 98 -9.046 5.524 -4.959 1.00 0.00 C ATOM 1543 CD1 TRP A 98 -9.391 6.760 -4.534 1.00 0.00 C ATOM 1544 CD2 TRP A 98 -10.038 4.610 -4.409 1.00 0.00 C ATOM 1545 NE1 TRP A 98 -10.533 6.664 -3.759 1.00 0.00 N ATOM 1546 CE2 TRP A 98 -10.969 5.358 -3.651 1.00 0.00 C ATOM 1547 CE3 TRP A 98 -10.217 3.217 -4.493 1.00 0.00 C ATOM 1548 CZ2 TRP A 98 -12.041 4.745 -3.001 1.00 0.00 C ATOM 1549 CZ3 TRP A 98 -11.294 2.597 -3.840 1.00 0.00 C ATOM 1550 CH2 TRP A 98 -12.204 3.360 -3.094 1.00 0.00 C ATOM 0 H TRP A 98 -6.010 6.309 -4.555 1.00 0.00 H new ATOM 0 HA TRP A 98 -7.356 3.913 -4.183 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -7.414 6.131 -6.185 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -8.187 4.645 -6.698 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -8.862 7.673 -4.762 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -10.996 7.460 -3.321 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -9.521 2.620 -5.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -12.740 5.337 -2.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -11.422 1.527 -3.912 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -13.030 2.878 -2.592 1.00 0.00 H new ATOM 1561 N SER A 99 -5.875 2.214 -5.362 1.00 0.00 N ATOM 1562 CA SER A 99 -5.247 1.137 -6.177 1.00 0.00 C ATOM 1563 C SER A 99 -6.080 0.895 -7.440 1.00 0.00 C ATOM 1564 O SER A 99 -7.288 1.035 -7.419 1.00 0.00 O ATOM 1565 CB SER A 99 -5.190 -0.150 -5.354 1.00 0.00 C ATOM 1566 OG SER A 99 -3.851 -0.384 -4.937 1.00 0.00 O ATOM 0 H SER A 99 -6.008 1.988 -4.376 1.00 0.00 H new ATOM 0 HA SER A 99 -4.239 1.438 -6.461 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.844 -0.069 -4.486 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.550 -0.991 -5.947 1.00 0.00 H new ATOM 0 HG SER A 99 -3.812 -1.208 -4.408 1.00 0.00 H new ATOM 1572 N PRO A 100 -5.403 0.534 -8.502 1.00 0.00 N ATOM 1573 CA PRO A 100 -6.047 0.256 -9.797 1.00 0.00 C ATOM 1574 C PRO A 100 -6.701 -1.129 -9.780 1.00 0.00 C ATOM 1575 O PRO A 100 -6.039 -2.137 -9.635 1.00 0.00 O ATOM 1576 CB PRO A 100 -4.884 0.299 -10.793 1.00 0.00 C ATOM 1577 CG PRO A 100 -3.599 0.034 -9.973 1.00 0.00 C ATOM 1578 CD PRO A 100 -3.936 0.367 -8.508 1.00 0.00 C ATOM 0 HA PRO A 100 -6.839 0.963 -10.044 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.011 -0.454 -11.571 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.834 1.267 -11.291 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.284 -1.005 -10.072 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.776 0.652 -10.332 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.624 -0.432 -7.836 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.431 1.275 -8.180 1.00 0.00 H new ATOM 1586 N GLY A 101 -7.996 -1.184 -9.921 1.00 0.00 N ATOM 1587 CA GLY A 101 -8.691 -2.502 -9.908 1.00 0.00 C ATOM 1588 C GLY A 101 -8.832 -3.026 -11.338 1.00 0.00 C ATOM 1589 O GLY A 101 -7.864 -3.393 -11.974 1.00 0.00 O ATOM 0 H GLY A 101 -8.603 -0.374 -10.045 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.129 -3.214 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.675 -2.401 -9.449 1.00 0.00 H new ATOM 1593 N LEU A 102 -10.033 -3.067 -11.848 1.00 0.00 N ATOM 1594 CA LEU A 102 -10.239 -3.569 -13.235 1.00 0.00 C ATOM 1595 C LEU A 102 -11.679 -3.288 -13.671 1.00 0.00 C ATOM 1596 O LEU A 102 -12.415 -2.590 -13.004 1.00 0.00 O ATOM 1597 CB LEU A 102 -9.979 -5.077 -13.275 1.00 0.00 C ATOM 1598 CG LEU A 102 -11.032 -5.801 -12.434 1.00 0.00 C ATOM 1599 CD1 LEU A 102 -11.136 -7.257 -12.889 1.00 0.00 C ATOM 1600 CD2 LEU A 102 -10.625 -5.755 -10.960 1.00 0.00 C ATOM 0 H LEU A 102 -10.881 -2.774 -11.363 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.550 -3.063 -13.911 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.012 -5.435 -14.304 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.981 -5.295 -12.893 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.998 -5.312 -12.561 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.886 -7.773 -12.290 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.425 -7.290 -13.939 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.171 -7.748 -12.763 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.374 -6.270 -10.359 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.659 -6.244 -10.834 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.551 -4.717 -10.635 1.00 0.00 H new ATOM 1612 N GLN A 103 -12.087 -3.831 -14.785 1.00 0.00 N ATOM 1613 CA GLN A 103 -13.481 -3.596 -15.259 1.00 0.00 C ATOM 1614 C GLN A 103 -13.912 -4.744 -16.177 1.00 0.00 C ATOM 1615 O GLN A 103 -13.185 -5.154 -17.059 1.00 0.00 O ATOM 1616 CB GLN A 103 -13.544 -2.274 -16.027 1.00 0.00 C ATOM 1617 CG GLN A 103 -12.410 -2.221 -17.054 1.00 0.00 C ATOM 1618 CD GLN A 103 -12.680 -1.097 -18.055 1.00 0.00 C ATOM 1619 OE1 GLN A 103 -12.658 -1.313 -19.251 1.00 0.00 O ATOM 1620 NE2 GLN A 103 -12.933 0.105 -17.614 1.00 0.00 N ATOM 0 H GLN A 103 -11.517 -4.426 -15.387 1.00 0.00 H new ATOM 0 HA GLN A 103 -14.152 -3.549 -14.401 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.507 -2.179 -16.529 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.461 -1.436 -15.335 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -11.457 -2.054 -16.551 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.332 -3.175 -17.575 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -12.952 0.287 -16.610 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.112 0.863 -18.273 1.00 0.00 H new ATOM 1629 N LEU A 104 -15.092 -5.266 -15.974 1.00 0.00 N ATOM 1630 CA LEU A 104 -15.573 -6.387 -16.833 1.00 0.00 C ATOM 1631 C LEU A 104 -17.093 -6.303 -16.975 1.00 0.00 C ATOM 1632 O LEU A 104 -17.712 -5.337 -16.580 1.00 0.00 O ATOM 1633 CB LEU A 104 -15.203 -7.721 -16.183 1.00 0.00 C ATOM 1634 CG LEU A 104 -14.066 -8.379 -16.967 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -12.803 -8.408 -16.105 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -14.466 -9.810 -17.332 1.00 0.00 C ATOM 0 H LEU A 104 -15.744 -4.964 -15.250 1.00 0.00 H new ATOM 0 HA LEU A 104 -15.108 -6.316 -17.816 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.899 -7.561 -15.149 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -16.071 -8.379 -16.162 1.00 0.00 H new ATOM 0 HG LEU A 104 -13.872 -7.810 -17.876 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -11.992 -8.877 -16.663 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.520 -7.389 -15.840 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.996 -8.979 -15.197 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -13.658 -10.282 -17.891 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -14.658 -10.378 -16.421 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.368 -9.791 -17.944 1.00 0.00 H new ATOM 1648 N ARG A 105 -17.699 -7.317 -17.529 1.00 0.00 N ATOM 1649 CA ARG A 105 -19.179 -7.305 -17.689 1.00 0.00 C ATOM 1650 C ARG A 105 -19.791 -8.329 -16.723 1.00 0.00 C ATOM 1651 O ARG A 105 -19.531 -9.510 -16.840 1.00 0.00 O ATOM 1652 CB ARG A 105 -19.540 -7.676 -19.129 1.00 0.00 C ATOM 1653 CG ARG A 105 -19.647 -6.402 -19.969 1.00 0.00 C ATOM 1654 CD ARG A 105 -18.347 -6.193 -20.747 1.00 0.00 C ATOM 1655 NE ARG A 105 -18.009 -7.438 -21.492 1.00 0.00 N ATOM 1656 CZ ARG A 105 -18.656 -7.741 -22.584 1.00 0.00 C ATOM 1657 NH1 ARG A 105 -18.981 -6.805 -23.433 1.00 0.00 N ATOM 1658 NH2 ARG A 105 -18.978 -8.983 -22.829 1.00 0.00 N ATOM 0 H ARG A 105 -17.232 -8.154 -17.878 1.00 0.00 H new ATOM 0 HA ARG A 105 -19.568 -6.311 -17.468 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -18.782 -8.338 -19.547 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -20.484 -8.220 -19.151 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -20.488 -6.478 -20.659 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -19.840 -5.544 -19.325 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -18.456 -5.359 -21.441 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -17.539 -5.935 -20.063 1.00 0.00 H new ATOM 0 HE ARG A 105 -17.272 -8.054 -21.149 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -18.729 -5.835 -23.244 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -19.487 -7.043 -24.286 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -18.724 -9.716 -22.167 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -19.484 -9.220 -23.683 1.00 0.00 H new ATOM 1672 N PRO A 106 -20.568 -7.847 -15.785 1.00 0.00 N ATOM 1673 CA PRO A 106 -21.211 -8.704 -14.771 1.00 0.00 C ATOM 1674 C PRO A 106 -22.431 -9.425 -15.348 1.00 0.00 C ATOM 1675 O PRO A 106 -22.570 -9.582 -16.545 1.00 0.00 O ATOM 1676 CB PRO A 106 -21.632 -7.714 -13.683 1.00 0.00 C ATOM 1677 CG PRO A 106 -21.734 -6.331 -14.365 1.00 0.00 C ATOM 1678 CD PRO A 106 -20.883 -6.409 -15.644 1.00 0.00 C ATOM 0 HA PRO A 106 -20.550 -9.489 -14.404 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -22.588 -8.002 -13.245 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -20.903 -7.694 -12.873 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -22.770 -6.092 -14.603 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -21.369 -5.545 -13.704 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -21.430 -6.035 -16.509 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -19.977 -5.810 -15.556 1.00 0.00 H new ATOM 1686 N THR A 107 -23.313 -9.866 -14.491 1.00 0.00 N ATOM 1687 CA THR A 107 -24.533 -10.583 -14.958 1.00 0.00 C ATOM 1688 C THR A 107 -25.089 -9.901 -16.211 1.00 0.00 C ATOM 1689 O THR A 107 -25.227 -8.694 -16.264 1.00 0.00 O ATOM 1690 CB THR A 107 -25.583 -10.550 -13.846 1.00 0.00 C ATOM 1691 OG1 THR A 107 -26.056 -9.219 -13.684 1.00 0.00 O ATOM 1692 CG2 THR A 107 -24.947 -11.031 -12.541 1.00 0.00 C ATOM 0 H THR A 107 -23.239 -9.759 -13.479 1.00 0.00 H new ATOM 0 HA THR A 107 -24.282 -11.616 -15.200 1.00 0.00 H new ATOM 0 HB THR A 107 -26.418 -11.201 -14.107 1.00 0.00 H new ATOM 0 HG1 THR A 107 -25.953 -8.730 -14.527 1.00 0.00 H new ATOM 0 HG21 THR A 107 -25.691 -11.010 -11.744 1.00 0.00 H new ATOM 0 HG22 THR A 107 -24.581 -12.050 -12.669 1.00 0.00 H new ATOM 0 HG23 THR A 107 -24.116 -10.377 -12.279 1.00 0.00 H new ATOM 1700 N MET A 108 -25.410 -10.663 -17.220 1.00 0.00 N ATOM 1701 CA MET A 108 -25.958 -10.061 -18.468 1.00 0.00 C ATOM 1702 C MET A 108 -27.400 -9.611 -18.224 1.00 0.00 C ATOM 1703 O MET A 108 -27.850 -8.618 -18.761 1.00 0.00 O ATOM 1704 CB MET A 108 -25.928 -11.103 -19.588 1.00 0.00 C ATOM 1705 CG MET A 108 -26.161 -10.417 -20.936 1.00 0.00 C ATOM 1706 SD MET A 108 -27.876 -10.674 -21.455 1.00 0.00 S ATOM 1707 CE MET A 108 -27.530 -11.817 -22.815 1.00 0.00 C ATOM 0 H MET A 108 -25.316 -11.679 -17.234 1.00 0.00 H new ATOM 0 HA MET A 108 -25.354 -9.201 -18.756 1.00 0.00 H new ATOM 0 HB2 MET A 108 -24.968 -11.619 -19.593 1.00 0.00 H new ATOM 0 HB3 MET A 108 -26.695 -11.858 -19.416 1.00 0.00 H new ATOM 0 HG2 MET A 108 -25.950 -9.351 -20.855 1.00 0.00 H new ATOM 0 HG3 MET A 108 -25.479 -10.821 -21.684 1.00 0.00 H new ATOM 0 HE1 MET A 108 -28.466 -12.113 -23.289 1.00 0.00 H new ATOM 0 HE2 MET A 108 -26.891 -11.326 -23.549 1.00 0.00 H new ATOM 0 HE3 MET A 108 -27.024 -12.701 -22.427 1.00 0.00 H new ATOM 1717 N LYS A 109 -28.127 -10.333 -17.417 1.00 0.00 N ATOM 1718 CA LYS A 109 -29.540 -9.948 -17.136 1.00 0.00 C ATOM 1719 C LYS A 109 -29.606 -9.174 -15.818 1.00 0.00 C ATOM 1720 O LYS A 109 -30.638 -9.233 -15.170 1.00 0.00 O ATOM 1721 CB LYS A 109 -30.402 -11.208 -17.028 1.00 0.00 C ATOM 1722 CG LYS A 109 -30.644 -11.782 -18.426 1.00 0.00 C ATOM 1723 CD LYS A 109 -32.142 -12.015 -18.633 1.00 0.00 C ATOM 1724 CE LYS A 109 -32.713 -10.906 -19.519 1.00 0.00 C ATOM 1725 NZ LYS A 109 -34.201 -10.961 -19.488 1.00 0.00 N ATOM 1726 OXT LYS A 109 -28.623 -8.536 -15.478 1.00 0.00 O ATOM 0 H LYS A 109 -27.804 -11.174 -16.939 1.00 0.00 H new ATOM 0 HA LYS A 109 -29.912 -9.321 -17.946 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -29.906 -11.948 -16.400 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -31.353 -10.971 -16.551 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -30.265 -11.095 -19.183 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -30.100 -12.719 -18.544 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -32.309 -12.987 -19.096 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -32.655 -12.028 -17.671 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -32.367 -9.933 -19.170 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -32.356 -11.023 -20.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -34.589 -10.207 -20.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -34.522 -11.885 -19.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -34.533 -10.829 -18.511 1.00 0.00 H new TER 1740 LYS A 109