USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 Single : A 1 GLY N :NH3+ 153:sc=0.000356 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 42:sc= 0.728 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.078 USER MOD Single : A 8 SER OG : rot 34:sc= 0.547 USER MOD Single : A 9 SER OG : rot 9:sc= 0.182 USER MOD Single : A 18 LYS NZ :NH3+ 138:sc= -0.2 (180deg=-1.4) USER MOD Single : A 20 HIS : no HD1:sc= -0.501 X(o=-0.5,f=-0.32) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 82:sc= -0.526! USER MOD Single : A 28 GLN : amide:sc= -7.63! C(o=-7.6!,f=-8.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 142:sc= -6.96! (180deg=-10.1!) USER MOD Single : A 44 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.85) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 55 CYS SG : rot 91:sc= -0.121 USER MOD Single : A 56 GLN : amide:sc= -4.67! C(o=-4.7!,f=-5.1!) USER MOD Single : A 58 THR OG1 : rot -118:sc= 0.933 USER MOD Single : A 63 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 71 ASN : amide:sc= -0.0725 X(o=-0.072,f=0) USER MOD Single : A 72 ASN : amide:sc= -1.4! X(o=-1.4!,f=-1.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.0697 X(o=-0.07,f=-0.24) USER MOD Single : A 75 SER OG : rot 40:sc= 1 USER MOD Single : A 78 SER OG : rot 55:sc= 0.0326 USER MOD Single : A 79 SER OG : rot 33:sc= 0.0363 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.681 0.505 11.877 1.00 0.00 N ATOM 2 CA GLY A 1 -16.279 0.200 10.514 1.00 0.00 C ATOM 3 C GLY A 1 -16.612 1.360 9.572 1.00 0.00 C ATOM 4 O GLY A 1 -17.711 1.909 9.622 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.881 -0.380 12.386 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.914 1.016 12.359 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.536 1.097 11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.208 -0.002 10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.784 -0.705 10.176 1.00 0.00 H new ATOM 8 N SER A 2 -15.641 1.699 8.737 1.00 0.00 N ATOM 9 CA SER A 2 -15.816 2.783 7.786 1.00 0.00 C ATOM 10 C SER A 2 -15.653 2.258 6.358 1.00 0.00 C ATOM 11 O SER A 2 -16.574 2.356 5.548 1.00 0.00 O ATOM 12 CB SER A 2 -14.822 3.915 8.052 1.00 0.00 C ATOM 13 OG SER A 2 -15.108 5.071 7.269 1.00 0.00 O ATOM 0 H SER A 2 -14.730 1.242 8.699 1.00 0.00 H new ATOM 0 HA SER A 2 -16.822 3.184 7.906 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.847 4.178 9.109 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.812 3.569 7.833 1.00 0.00 H new ATOM 0 HG SER A 2 -14.453 5.772 7.469 1.00 0.00 H new ATOM 19 N SER A 3 -14.475 1.712 6.093 1.00 0.00 N ATOM 20 CA SER A 3 -14.180 1.172 4.777 1.00 0.00 C ATOM 21 C SER A 3 -14.052 -0.351 4.853 1.00 0.00 C ATOM 22 O SER A 3 -12.977 -0.872 5.146 1.00 0.00 O ATOM 23 CB SER A 3 -12.900 1.785 4.204 1.00 0.00 C ATOM 24 OG SER A 3 -11.773 1.549 5.044 1.00 0.00 O ATOM 0 H SER A 3 -13.714 1.632 6.767 1.00 0.00 H new ATOM 0 HA SER A 3 -15.003 1.428 4.110 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.709 1.368 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.038 2.859 4.076 1.00 0.00 H new ATOM 0 HG SER A 3 -11.798 0.627 5.374 1.00 0.00 H new ATOM 30 N GLY A 4 -15.162 -1.021 4.585 1.00 0.00 N ATOM 31 CA GLY A 4 -15.187 -2.473 4.619 1.00 0.00 C ATOM 32 C GLY A 4 -14.875 -2.994 6.024 1.00 0.00 C ATOM 33 O GLY A 4 -14.457 -2.231 6.893 1.00 0.00 O ATOM 0 H GLY A 4 -16.052 -0.585 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.167 -2.831 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.460 -2.870 3.910 1.00 0.00 H new ATOM 37 N SER A 5 -15.091 -4.289 6.202 1.00 0.00 N ATOM 38 CA SER A 5 -14.838 -4.920 7.486 1.00 0.00 C ATOM 39 C SER A 5 -14.303 -6.338 7.275 1.00 0.00 C ATOM 40 O SER A 5 -13.154 -6.627 7.606 1.00 0.00 O ATOM 41 CB SER A 5 -16.104 -4.952 8.343 1.00 0.00 C ATOM 42 OG SER A 5 -17.287 -4.871 7.552 1.00 0.00 O ATOM 0 H SER A 5 -15.438 -4.918 5.478 1.00 0.00 H new ATOM 0 HA SER A 5 -14.089 -4.331 8.015 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.122 -5.871 8.929 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.084 -4.123 9.051 1.00 0.00 H new ATOM 0 HG SER A 5 -18.073 -4.896 8.136 1.00 0.00 H new ATOM 48 N SER A 6 -15.162 -7.184 6.727 1.00 0.00 N ATOM 49 CA SER A 6 -14.790 -8.565 6.469 1.00 0.00 C ATOM 50 C SER A 6 -15.628 -9.126 5.318 1.00 0.00 C ATOM 51 O SER A 6 -16.705 -8.612 5.022 1.00 0.00 O ATOM 52 CB SER A 6 -14.965 -9.426 7.721 1.00 0.00 C ATOM 53 OG SER A 6 -14.763 -10.811 7.450 1.00 0.00 O ATOM 0 H SER A 6 -16.114 -6.940 6.454 1.00 0.00 H new ATOM 0 HA SER A 6 -13.737 -8.589 6.189 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.261 -9.100 8.486 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.966 -9.278 8.125 1.00 0.00 H new ATOM 0 HG SER A 6 -14.882 -11.326 8.275 1.00 0.00 H new ATOM 59 N GLY A 7 -15.101 -10.173 4.700 1.00 0.00 N ATOM 60 CA GLY A 7 -15.787 -10.809 3.588 1.00 0.00 C ATOM 61 C GLY A 7 -14.798 -11.549 2.685 1.00 0.00 C ATOM 62 O GLY A 7 -14.308 -10.989 1.706 1.00 0.00 O ATOM 0 H GLY A 7 -14.207 -10.597 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.532 -11.508 3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.322 -10.057 3.008 1.00 0.00 H new ATOM 66 N SER A 8 -14.535 -12.796 3.046 1.00 0.00 N ATOM 67 CA SER A 8 -13.613 -13.618 2.280 1.00 0.00 C ATOM 68 C SER A 8 -14.360 -14.799 1.656 1.00 0.00 C ATOM 69 O SER A 8 -14.742 -15.736 2.355 1.00 0.00 O ATOM 70 CB SER A 8 -12.464 -14.121 3.157 1.00 0.00 C ATOM 71 OG SER A 8 -12.934 -14.862 4.279 1.00 0.00 O ATOM 0 H SER A 8 -14.944 -13.257 3.859 1.00 0.00 H new ATOM 0 HA SER A 8 -13.187 -13.005 1.486 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.800 -14.748 2.561 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.875 -13.272 3.504 1.00 0.00 H new ATOM 0 HG SER A 8 -13.742 -15.357 4.029 1.00 0.00 H new ATOM 77 N SER A 9 -14.545 -14.715 0.346 1.00 0.00 N ATOM 78 CA SER A 9 -15.239 -15.765 -0.380 1.00 0.00 C ATOM 79 C SER A 9 -14.672 -15.884 -1.796 1.00 0.00 C ATOM 80 O SER A 9 -15.086 -15.157 -2.697 1.00 0.00 O ATOM 81 CB SER A 9 -16.744 -15.496 -0.432 1.00 0.00 C ATOM 82 OG SER A 9 -17.378 -15.767 0.815 1.00 0.00 O ATOM 0 H SER A 9 -14.226 -13.936 -0.231 1.00 0.00 H new ATOM 0 HA SER A 9 -15.084 -16.706 0.147 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.917 -14.456 -0.708 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.196 -16.112 -1.210 1.00 0.00 H new ATOM 0 HG SER A 9 -16.696 -15.938 1.498 1.00 0.00 H new ATOM 88 N ALA A 10 -13.734 -16.807 -1.947 1.00 0.00 N ATOM 89 CA ALA A 10 -13.106 -17.031 -3.238 1.00 0.00 C ATOM 90 C ALA A 10 -12.806 -18.522 -3.403 1.00 0.00 C ATOM 91 O ALA A 10 -12.423 -19.192 -2.445 1.00 0.00 O ATOM 92 CB ALA A 10 -11.847 -16.168 -3.351 1.00 0.00 C ATOM 0 H ALA A 10 -13.394 -17.408 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.776 -16.738 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.376 -16.336 -4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.117 -15.116 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.150 -16.436 -2.557 1.00 0.00 H new ATOM 98 N GLU A 11 -12.991 -18.999 -4.625 1.00 0.00 N ATOM 99 CA GLU A 11 -12.746 -20.399 -4.928 1.00 0.00 C ATOM 100 C GLU A 11 -11.778 -20.525 -6.106 1.00 0.00 C ATOM 101 O GLU A 11 -10.688 -21.076 -5.962 1.00 0.00 O ATOM 102 CB GLU A 11 -14.055 -21.136 -5.213 1.00 0.00 C ATOM 103 CG GLU A 11 -14.663 -21.693 -3.923 1.00 0.00 C ATOM 104 CD GLU A 11 -15.545 -20.648 -3.237 1.00 0.00 C ATOM 105 OE1 GLU A 11 -16.652 -20.406 -3.763 1.00 0.00 O ATOM 106 OE2 GLU A 11 -15.091 -20.114 -2.201 1.00 0.00 O ATOM 0 H GLU A 11 -13.308 -18.441 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.289 -20.865 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.762 -20.457 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.873 -21.950 -5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.254 -22.581 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.867 -22.003 -3.246 1.00 0.00 H new ATOM 113 N ALA A 12 -12.211 -20.005 -7.245 1.00 0.00 N ATOM 114 CA ALA A 12 -11.397 -20.053 -8.447 1.00 0.00 C ATOM 115 C ALA A 12 -11.954 -19.066 -9.475 1.00 0.00 C ATOM 116 O ALA A 12 -13.082 -19.220 -9.941 1.00 0.00 O ATOM 117 CB ALA A 12 -11.356 -21.487 -8.980 1.00 0.00 C ATOM 0 H ALA A 12 -13.116 -19.548 -7.361 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.371 -19.757 -8.227 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.745 -21.523 -9.882 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.926 -22.144 -8.224 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.368 -21.817 -9.214 1.00 0.00 H new ATOM 123 N GLY A 13 -11.137 -18.074 -9.798 1.00 0.00 N ATOM 124 CA GLY A 13 -11.534 -17.062 -10.762 1.00 0.00 C ATOM 125 C GLY A 13 -11.834 -15.731 -10.068 1.00 0.00 C ATOM 126 O GLY A 13 -11.004 -15.216 -9.320 1.00 0.00 O ATOM 0 H GLY A 13 -10.202 -17.950 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.740 -16.923 -11.496 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.416 -17.399 -11.306 1.00 0.00 H new ATOM 130 N GLY A 14 -13.023 -15.213 -10.341 1.00 0.00 N ATOM 131 CA GLY A 14 -13.442 -13.953 -9.752 1.00 0.00 C ATOM 132 C GLY A 14 -14.395 -13.202 -10.684 1.00 0.00 C ATOM 133 O GLY A 14 -15.530 -13.628 -10.891 1.00 0.00 O ATOM 0 H GLY A 14 -13.709 -15.643 -10.962 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.933 -14.139 -8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.568 -13.336 -9.545 1.00 0.00 H new ATOM 137 N GLY A 15 -13.898 -12.098 -11.222 1.00 0.00 N ATOM 138 CA GLY A 15 -14.691 -11.284 -12.128 1.00 0.00 C ATOM 139 C GLY A 15 -13.877 -10.882 -13.359 1.00 0.00 C ATOM 140 O GLY A 15 -13.069 -11.665 -13.856 1.00 0.00 O ATOM 0 H GLY A 15 -12.956 -11.748 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.577 -11.837 -12.439 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.039 -10.390 -11.610 1.00 0.00 H new ATOM 144 N ILE A 16 -14.120 -9.663 -13.817 1.00 0.00 N ATOM 145 CA ILE A 16 -13.419 -9.147 -14.981 1.00 0.00 C ATOM 146 C ILE A 16 -12.596 -7.923 -14.575 1.00 0.00 C ATOM 147 O ILE A 16 -13.154 -6.888 -14.214 1.00 0.00 O ATOM 148 CB ILE A 16 -14.402 -8.877 -16.122 1.00 0.00 C ATOM 149 CG1 ILE A 16 -15.063 -10.173 -16.595 1.00 0.00 C ATOM 150 CG2 ILE A 16 -13.719 -8.130 -17.269 1.00 0.00 C ATOM 151 CD1 ILE A 16 -16.414 -9.891 -17.255 1.00 0.00 C ATOM 0 H ILE A 16 -14.793 -9.017 -13.403 1.00 0.00 H new ATOM 0 HA ILE A 16 -12.718 -9.889 -15.364 1.00 0.00 H new ATOM 0 HB ILE A 16 -15.195 -8.231 -15.744 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -14.408 -10.682 -17.302 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.201 -10.845 -15.748 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -14.440 -7.951 -18.067 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -13.336 -7.177 -16.905 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.894 -8.730 -17.653 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -16.862 -10.829 -17.582 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -17.075 -9.404 -16.538 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -16.269 -9.239 -18.116 1.00 0.00 H new ATOM 163 N ARG A 17 -11.283 -8.082 -14.648 1.00 0.00 N ATOM 164 CA ARG A 17 -10.378 -7.002 -14.293 1.00 0.00 C ATOM 165 C ARG A 17 -10.866 -6.295 -13.027 1.00 0.00 C ATOM 166 O ARG A 17 -11.665 -5.362 -13.102 1.00 0.00 O ATOM 167 CB ARG A 17 -10.265 -5.982 -15.428 1.00 0.00 C ATOM 168 CG ARG A 17 -9.197 -6.404 -16.439 1.00 0.00 C ATOM 169 CD ARG A 17 -9.811 -6.628 -17.823 1.00 0.00 C ATOM 170 NE ARG A 17 -8.789 -7.163 -18.749 1.00 0.00 N ATOM 171 CZ ARG A 17 -7.940 -6.400 -19.452 1.00 0.00 C ATOM 172 NH1 ARG A 17 -7.986 -5.066 -19.338 1.00 0.00 N ATOM 173 NH2 ARG A 17 -7.045 -6.972 -20.269 1.00 0.00 N ATOM 0 H ARG A 17 -10.824 -8.942 -14.948 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.395 -7.438 -14.113 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.227 -5.883 -15.930 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.017 -5.003 -15.019 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.425 -5.637 -16.499 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.711 -7.319 -16.100 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.648 -7.323 -17.751 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.209 -5.690 -18.210 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.726 -8.175 -18.859 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.667 -4.630 -18.716 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.340 -4.486 -19.873 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.010 -7.988 -20.356 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.399 -6.392 -20.804 1.00 0.00 H new ATOM 187 N LYS A 18 -10.366 -6.765 -11.894 1.00 0.00 N ATOM 188 CA LYS A 18 -10.742 -6.189 -10.614 1.00 0.00 C ATOM 189 C LYS A 18 -10.119 -4.798 -10.483 1.00 0.00 C ATOM 190 O LYS A 18 -8.902 -4.668 -10.353 1.00 0.00 O ATOM 191 CB LYS A 18 -10.374 -7.138 -9.471 1.00 0.00 C ATOM 192 CG LYS A 18 -11.606 -7.894 -8.968 1.00 0.00 C ATOM 193 CD LYS A 18 -11.625 -9.328 -9.502 1.00 0.00 C ATOM 194 CE LYS A 18 -11.859 -10.331 -8.371 1.00 0.00 C ATOM 195 NZ LYS A 18 -13.264 -10.796 -8.375 1.00 0.00 N ATOM 0 H LYS A 18 -9.704 -7.538 -11.836 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.823 -6.061 -10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.621 -7.849 -9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.931 -6.572 -8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.609 -7.908 -7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.510 -7.373 -9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.410 -9.430 -10.252 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.680 -9.548 -9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.188 -11.182 -8.486 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.625 -9.868 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.291 -11.821 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.794 -10.305 -7.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.696 -10.589 -9.298 1.00 0.00 H new ATOM 209 N ARG A 19 -10.981 -3.793 -10.522 1.00 0.00 N ATOM 210 CA ARG A 19 -10.530 -2.416 -10.409 1.00 0.00 C ATOM 211 C ARG A 19 -11.729 -1.473 -10.288 1.00 0.00 C ATOM 212 O ARG A 19 -12.712 -1.616 -11.014 1.00 0.00 O ATOM 213 CB ARG A 19 -9.691 -2.010 -11.623 1.00 0.00 C ATOM 214 CG ARG A 19 -8.953 -0.695 -11.364 1.00 0.00 C ATOM 215 CD ARG A 19 -8.674 0.044 -12.674 1.00 0.00 C ATOM 216 NE ARG A 19 -7.650 -0.682 -13.457 1.00 0.00 N ATOM 217 CZ ARG A 19 -7.369 -0.432 -14.743 1.00 0.00 C ATOM 218 NH1 ARG A 19 -8.035 0.529 -15.399 1.00 0.00 N ATOM 219 NH2 ARG A 19 -6.424 -1.142 -15.373 1.00 0.00 N ATOM 0 H ARG A 19 -11.989 -3.904 -10.630 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.913 -2.341 -9.514 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.971 -2.796 -11.852 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.335 -1.904 -12.496 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.549 -0.063 -10.706 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.014 -0.896 -10.849 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.593 0.132 -13.254 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.332 1.057 -12.464 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.124 -1.420 -12.988 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.755 1.069 -14.919 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.822 0.720 -16.378 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.918 -1.873 -14.874 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.211 -0.951 -16.352 1.00 0.00 H new ATOM 233 N HIS A 20 -11.609 -0.530 -9.365 1.00 0.00 N ATOM 234 CA HIS A 20 -12.671 0.436 -9.139 1.00 0.00 C ATOM 235 C HIS A 20 -12.151 1.846 -9.425 1.00 0.00 C ATOM 236 O HIS A 20 -12.604 2.501 -10.363 1.00 0.00 O ATOM 237 CB HIS A 20 -13.247 0.291 -7.729 1.00 0.00 C ATOM 238 CG HIS A 20 -14.727 -0.006 -7.698 1.00 0.00 C ATOM 239 ND1 HIS A 20 -15.499 0.152 -6.561 1.00 0.00 N ATOM 240 CD2 HIS A 20 -15.567 -0.452 -8.676 1.00 0.00 C ATOM 241 CE1 HIS A 20 -16.747 -0.187 -6.852 1.00 0.00 C ATOM 242 NE2 HIS A 20 -16.787 -0.561 -8.163 1.00 0.00 N ATOM 0 H HIS A 20 -10.792 -0.414 -8.765 1.00 0.00 H new ATOM 0 HA HIS A 20 -13.495 0.243 -9.826 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -12.716 -0.507 -7.211 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -13.060 1.211 -7.175 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -15.287 -0.678 -9.694 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -17.585 -0.170 -6.171 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -17.617 -0.873 -8.667 1.00 0.00 H new ATOM 250 N ARG A 21 -11.206 2.272 -8.599 1.00 0.00 N ATOM 251 CA ARG A 21 -10.620 3.593 -8.751 1.00 0.00 C ATOM 252 C ARG A 21 -9.276 3.664 -8.022 1.00 0.00 C ATOM 253 O ARG A 21 -9.216 4.069 -6.862 1.00 0.00 O ATOM 254 CB ARG A 21 -11.550 4.676 -8.200 1.00 0.00 C ATOM 255 CG ARG A 21 -11.310 6.014 -8.901 1.00 0.00 C ATOM 256 CD ARG A 21 -12.124 7.131 -8.245 1.00 0.00 C ATOM 257 NE ARG A 21 -13.207 7.568 -9.153 1.00 0.00 N ATOM 258 CZ ARG A 21 -13.925 8.687 -8.983 1.00 0.00 C ATOM 259 NH1 ARG A 21 -13.678 9.488 -7.937 1.00 0.00 N ATOM 260 NH2 ARG A 21 -14.889 9.005 -9.857 1.00 0.00 N ATOM 0 H ARG A 21 -10.832 1.726 -7.823 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.469 3.768 -9.816 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.588 4.372 -8.335 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.388 4.789 -7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.249 6.263 -8.864 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.582 5.931 -9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.547 6.779 -7.304 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.475 7.974 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.421 6.981 -9.959 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.944 9.246 -7.271 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.224 10.340 -7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.077 8.395 -10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.435 9.857 -9.727 1.00 0.00 H new ATOM 274 N THR A 22 -8.232 3.264 -8.732 1.00 0.00 N ATOM 275 CA THR A 22 -6.893 3.278 -8.168 1.00 0.00 C ATOM 276 C THR A 22 -6.023 4.314 -8.882 1.00 0.00 C ATOM 277 O THR A 22 -6.305 4.688 -10.020 1.00 0.00 O ATOM 278 CB THR A 22 -6.333 1.856 -8.245 1.00 0.00 C ATOM 279 OG1 THR A 22 -6.625 1.440 -9.577 1.00 0.00 O ATOM 280 CG2 THR A 22 -7.110 0.872 -7.369 1.00 0.00 C ATOM 0 H THR A 22 -8.286 2.928 -9.694 1.00 0.00 H new ATOM 0 HA THR A 22 -6.908 3.581 -7.121 1.00 0.00 H new ATOM 0 HB THR A 22 -5.286 1.862 -7.943 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.294 0.528 -9.715 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.671 -0.122 -7.461 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.063 1.195 -6.329 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.151 0.840 -7.692 1.00 0.00 H new ATOM 288 N LYS A 23 -4.984 4.749 -8.185 1.00 0.00 N ATOM 289 CA LYS A 23 -4.071 5.734 -8.739 1.00 0.00 C ATOM 290 C LYS A 23 -2.707 5.598 -8.059 1.00 0.00 C ATOM 291 O LYS A 23 -2.296 6.476 -7.302 1.00 0.00 O ATOM 292 CB LYS A 23 -4.671 7.138 -8.636 1.00 0.00 C ATOM 293 CG LYS A 23 -4.944 7.720 -10.024 1.00 0.00 C ATOM 294 CD LYS A 23 -3.669 8.308 -10.632 1.00 0.00 C ATOM 295 CE LYS A 23 -3.372 9.692 -10.051 1.00 0.00 C ATOM 296 NZ LYS A 23 -1.956 9.784 -9.630 1.00 0.00 N ATOM 0 H LYS A 23 -4.754 4.437 -7.241 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.917 5.555 -9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.598 7.100 -8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.988 7.790 -8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.338 6.942 -10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.708 8.494 -9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.829 7.641 -10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.777 8.380 -11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.587 10.459 -10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.024 9.883 -9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.771 10.729 -9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.762 9.064 -8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.339 9.623 -10.451 1.00 0.00 H new ATOM 310 N PHE A 24 -2.043 4.490 -8.354 1.00 0.00 N ATOM 311 CA PHE A 24 -0.733 4.227 -7.781 1.00 0.00 C ATOM 312 C PHE A 24 0.330 5.132 -8.406 1.00 0.00 C ATOM 313 O PHE A 24 0.598 5.047 -9.604 1.00 0.00 O ATOM 314 CB PHE A 24 -0.393 2.769 -8.094 1.00 0.00 C ATOM 315 CG PHE A 24 -1.582 1.813 -7.979 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.326 1.788 -6.841 1.00 0.00 C ATOM 317 CD2 PHE A 24 -1.895 0.989 -9.015 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.430 0.901 -6.734 1.00 0.00 C ATOM 319 CE2 PHE A 24 -2.999 0.102 -8.908 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.743 0.077 -7.769 1.00 0.00 C ATOM 0 H PHE A 24 -2.387 3.764 -8.982 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.750 4.419 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.011 2.710 -9.105 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.394 2.437 -7.417 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.077 2.443 -6.019 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.304 1.009 -9.919 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.021 0.881 -5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.248 -0.552 -9.730 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.582 -0.598 -7.687 1.00 0.00 H new ATOM 330 N THR A 25 0.908 5.979 -7.567 1.00 0.00 N ATOM 331 CA THR A 25 1.937 6.899 -8.022 1.00 0.00 C ATOM 332 C THR A 25 3.320 6.258 -7.894 1.00 0.00 C ATOM 333 O THR A 25 3.451 5.158 -7.360 1.00 0.00 O ATOM 334 CB THR A 25 1.793 8.199 -7.228 1.00 0.00 C ATOM 335 OG1 THR A 25 3.043 8.857 -7.411 1.00 0.00 O ATOM 336 CG2 THR A 25 1.716 7.958 -5.719 1.00 0.00 C ATOM 0 H THR A 25 0.683 6.048 -6.574 1.00 0.00 H new ATOM 0 HA THR A 25 1.819 7.133 -9.080 1.00 0.00 H new ATOM 0 HB THR A 25 0.899 8.728 -7.557 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.042 9.327 -8.271 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.614 8.913 -5.203 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.854 7.330 -5.494 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.625 7.459 -5.383 1.00 0.00 H new ATOM 344 N ALA A 26 4.317 6.974 -8.392 1.00 0.00 N ATOM 345 CA ALA A 26 5.686 6.489 -8.340 1.00 0.00 C ATOM 346 C ALA A 26 5.910 5.750 -7.020 1.00 0.00 C ATOM 347 O ALA A 26 6.455 4.647 -7.007 1.00 0.00 O ATOM 348 CB ALA A 26 6.651 7.663 -8.522 1.00 0.00 C ATOM 0 H ALA A 26 4.204 7.887 -8.834 1.00 0.00 H new ATOM 0 HA ALA A 26 5.875 5.784 -9.149 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.678 7.299 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.470 8.136 -9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.493 8.390 -7.726 1.00 0.00 H new ATOM 354 N GLU A 27 5.479 6.387 -5.941 1.00 0.00 N ATOM 355 CA GLU A 27 5.626 5.803 -4.618 1.00 0.00 C ATOM 356 C GLU A 27 4.912 4.451 -4.553 1.00 0.00 C ATOM 357 O GLU A 27 5.559 3.405 -4.503 1.00 0.00 O ATOM 358 CB GLU A 27 5.103 6.752 -3.539 1.00 0.00 C ATOM 359 CG GLU A 27 6.018 6.745 -2.312 1.00 0.00 C ATOM 360 CD GLU A 27 5.379 7.503 -1.147 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.388 6.973 -0.600 1.00 0.00 O ATOM 362 OE2 GLU A 27 5.895 8.596 -0.830 1.00 0.00 O ATOM 0 H GLU A 27 5.028 7.302 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 27 6.687 5.641 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.035 7.763 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.095 6.457 -3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.223 5.717 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.975 7.200 -2.565 1.00 0.00 H new ATOM 369 N GLN A 28 3.589 4.516 -4.555 1.00 0.00 N ATOM 370 CA GLN A 28 2.781 3.310 -4.496 1.00 0.00 C ATOM 371 C GLN A 28 3.301 2.273 -5.494 1.00 0.00 C ATOM 372 O GLN A 28 3.470 1.104 -5.149 1.00 0.00 O ATOM 373 CB GLN A 28 1.306 3.625 -4.752 1.00 0.00 C ATOM 374 CG GLN A 28 0.777 4.639 -3.735 1.00 0.00 C ATOM 375 CD GLN A 28 0.776 4.049 -2.323 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.236 3.601 -1.811 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.964 4.074 -1.726 1.00 0.00 N ATOM 0 H GLN A 28 3.056 5.385 -4.597 1.00 0.00 H new ATOM 0 HA GLN A 28 2.861 2.892 -3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.184 4.019 -5.761 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.719 2.708 -4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.394 5.537 -3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.234 4.940 -4.008 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.771 4.464 -2.213 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.068 3.703 -0.782 1.00 0.00 H new ATOM 386 N LYS A 29 3.541 2.738 -6.711 1.00 0.00 N ATOM 387 CA LYS A 29 4.039 1.866 -7.761 1.00 0.00 C ATOM 388 C LYS A 29 5.356 1.232 -7.310 1.00 0.00 C ATOM 389 O LYS A 29 5.468 0.009 -7.237 1.00 0.00 O ATOM 390 CB LYS A 29 4.143 2.626 -9.084 1.00 0.00 C ATOM 391 CG LYS A 29 3.105 2.123 -10.089 1.00 0.00 C ATOM 392 CD LYS A 29 3.597 2.310 -11.526 1.00 0.00 C ATOM 393 CE LYS A 29 2.706 3.294 -12.287 1.00 0.00 C ATOM 394 NZ LYS A 29 3.513 4.101 -13.230 1.00 0.00 N ATOM 0 H LYS A 29 3.400 3.708 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 29 3.339 1.051 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.997 3.692 -8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.144 2.506 -9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.898 1.069 -9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.167 2.661 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.624 2.675 -11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.605 1.349 -12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.935 2.749 -12.832 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.195 3.950 -11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.893 4.764 -13.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.232 4.635 -12.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.981 3.472 -13.913 1.00 0.00 H new ATOM 408 N GLU A 30 6.321 2.092 -7.018 1.00 0.00 N ATOM 409 CA GLU A 30 7.626 1.632 -6.576 1.00 0.00 C ATOM 410 C GLU A 30 7.485 0.750 -5.334 1.00 0.00 C ATOM 411 O GLU A 30 8.216 -0.227 -5.176 1.00 0.00 O ATOM 412 CB GLU A 30 8.561 2.813 -6.307 1.00 0.00 C ATOM 413 CG GLU A 30 8.952 3.511 -7.611 1.00 0.00 C ATOM 414 CD GLU A 30 10.471 3.531 -7.788 1.00 0.00 C ATOM 415 OE1 GLU A 30 11.124 4.262 -7.012 1.00 0.00 O ATOM 416 OE2 GLU A 30 10.946 2.814 -8.696 1.00 0.00 O ATOM 0 H GLU A 30 6.225 3.106 -7.079 1.00 0.00 H new ATOM 0 HA GLU A 30 8.069 1.035 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.072 3.525 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.457 2.463 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.491 2.998 -8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.569 4.531 -7.610 1.00 0.00 H new ATOM 423 N ARG A 31 6.540 1.125 -4.484 1.00 0.00 N ATOM 424 CA ARG A 31 6.294 0.380 -3.262 1.00 0.00 C ATOM 425 C ARG A 31 5.865 -1.051 -3.589 1.00 0.00 C ATOM 426 O ARG A 31 6.526 -2.008 -3.188 1.00 0.00 O ATOM 427 CB ARG A 31 5.208 1.050 -2.418 1.00 0.00 C ATOM 428 CG ARG A 31 5.670 2.420 -1.915 1.00 0.00 C ATOM 429 CD ARG A 31 6.062 2.358 -0.438 1.00 0.00 C ATOM 430 NE ARG A 31 7.534 2.277 -0.307 1.00 0.00 N ATOM 431 CZ ARG A 31 8.230 1.132 -0.340 1.00 0.00 C ATOM 432 NH1 ARG A 31 7.591 -0.035 -0.500 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.564 1.154 -0.214 1.00 0.00 N ATOM 0 H ARG A 31 5.936 1.936 -4.618 1.00 0.00 H new ATOM 0 HA ARG A 31 7.223 0.363 -2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.300 1.164 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.957 0.413 -1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.520 2.761 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.872 3.150 -2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.691 3.241 0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.599 1.491 0.033 1.00 0.00 H new ATOM 0 HE ARG A 31 8.051 3.147 -0.184 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.576 -0.051 -0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.120 -0.907 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.050 2.042 -0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.093 0.282 -0.239 1.00 0.00 H new ATOM 447 N MET A 32 4.761 -1.153 -4.315 1.00 0.00 N ATOM 448 CA MET A 32 4.237 -2.451 -4.702 1.00 0.00 C ATOM 449 C MET A 32 5.276 -3.250 -5.491 1.00 0.00 C ATOM 450 O MET A 32 5.515 -4.421 -5.201 1.00 0.00 O ATOM 451 CB MET A 32 2.982 -2.261 -5.556 1.00 0.00 C ATOM 452 CG MET A 32 1.877 -1.563 -4.760 1.00 0.00 C ATOM 453 SD MET A 32 0.375 -1.505 -5.722 1.00 0.00 S ATOM 454 CE MET A 32 0.399 0.205 -6.233 1.00 0.00 C ATOM 0 H MET A 32 4.215 -0.357 -4.645 1.00 0.00 H new ATOM 0 HA MET A 32 3.991 -3.007 -3.797 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.225 -1.672 -6.440 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.626 -3.230 -5.906 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.700 -2.095 -3.825 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.190 -0.552 -4.497 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.036 0.284 -7.258 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.243 0.791 -5.575 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.419 0.587 -6.179 1.00 0.00 H new ATOM 464 N LEU A 33 5.866 -2.584 -6.473 1.00 0.00 N ATOM 465 CA LEU A 33 6.874 -3.217 -7.306 1.00 0.00 C ATOM 466 C LEU A 33 7.970 -3.805 -6.415 1.00 0.00 C ATOM 467 O LEU A 33 8.425 -4.926 -6.641 1.00 0.00 O ATOM 468 CB LEU A 33 7.395 -2.235 -8.356 1.00 0.00 C ATOM 469 CG LEU A 33 6.856 -2.420 -9.776 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.286 -1.109 -10.321 1.00 0.00 C ATOM 471 CD2 LEU A 33 7.926 -3.007 -10.697 1.00 0.00 C ATOM 0 H LEU A 33 5.665 -1.613 -6.710 1.00 0.00 H new ATOM 0 HA LEU A 33 6.440 -4.045 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.157 -1.223 -8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.482 -2.312 -8.389 1.00 0.00 H new ATOM 0 HG LEU A 33 6.036 -3.137 -9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.910 -1.268 -11.332 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.472 -0.772 -9.680 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.070 -0.352 -10.341 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.516 -3.128 -11.700 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.783 -2.335 -10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.243 -3.977 -10.315 1.00 0.00 H new ATOM 483 N ALA A 34 8.364 -3.022 -5.422 1.00 0.00 N ATOM 484 CA ALA A 34 9.398 -3.451 -4.496 1.00 0.00 C ATOM 485 C ALA A 34 8.863 -4.597 -3.635 1.00 0.00 C ATOM 486 O ALA A 34 9.613 -5.494 -3.253 1.00 0.00 O ATOM 487 CB ALA A 34 9.859 -2.257 -3.657 1.00 0.00 C ATOM 0 H ALA A 34 7.986 -2.093 -5.238 1.00 0.00 H new ATOM 0 HA ALA A 34 10.267 -3.824 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.635 -2.578 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.258 -1.483 -4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.013 -1.858 -3.097 1.00 0.00 H new ATOM 493 N LEU A 35 7.570 -4.530 -3.354 1.00 0.00 N ATOM 494 CA LEU A 35 6.926 -5.551 -2.546 1.00 0.00 C ATOM 495 C LEU A 35 6.839 -6.851 -3.347 1.00 0.00 C ATOM 496 O LEU A 35 7.233 -7.911 -2.863 1.00 0.00 O ATOM 497 CB LEU A 35 5.573 -5.054 -2.033 1.00 0.00 C ATOM 498 CG LEU A 35 4.672 -6.108 -1.386 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.168 -6.467 0.016 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.212 -5.651 -1.378 1.00 0.00 C ATOM 0 H LEU A 35 6.951 -3.784 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 35 7.520 -5.763 -1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.751 -4.262 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.033 -4.606 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 35 4.722 -7.016 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.510 -7.218 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.181 -6.865 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.167 -5.575 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.593 -6.418 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.124 -4.723 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.877 -5.486 -2.402 1.00 0.00 H new ATOM 512 N ALA A 36 6.321 -6.728 -4.561 1.00 0.00 N ATOM 513 CA ALA A 36 6.178 -7.880 -5.434 1.00 0.00 C ATOM 514 C ALA A 36 7.537 -8.565 -5.594 1.00 0.00 C ATOM 515 O ALA A 36 7.640 -9.784 -5.469 1.00 0.00 O ATOM 516 CB ALA A 36 5.588 -7.435 -6.774 1.00 0.00 C ATOM 0 H ALA A 36 5.995 -5.848 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 36 5.491 -8.607 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.481 -8.299 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.611 -6.981 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.252 -6.707 -7.240 1.00 0.00 H new ATOM 522 N GLU A 37 8.546 -7.751 -5.868 1.00 0.00 N ATOM 523 CA GLU A 37 9.894 -8.263 -6.047 1.00 0.00 C ATOM 524 C GLU A 37 10.450 -8.768 -4.714 1.00 0.00 C ATOM 525 O GLU A 37 11.520 -9.374 -4.674 1.00 0.00 O ATOM 526 CB GLU A 37 10.809 -7.198 -6.655 1.00 0.00 C ATOM 527 CG GLU A 37 10.575 -7.070 -8.161 1.00 0.00 C ATOM 528 CD GLU A 37 11.892 -6.828 -8.902 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.532 -7.838 -9.266 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.228 -5.638 -9.087 1.00 0.00 O ATOM 0 H GLU A 37 8.457 -6.740 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 37 9.855 -9.101 -6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.627 -6.238 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.851 -7.457 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.103 -7.977 -8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.887 -6.248 -8.357 1.00 0.00 H new ATOM 537 N ARG A 38 9.699 -8.500 -3.656 1.00 0.00 N ATOM 538 CA ARG A 38 10.104 -8.920 -2.325 1.00 0.00 C ATOM 539 C ARG A 38 9.380 -10.209 -1.932 1.00 0.00 C ATOM 540 O ARG A 38 10.008 -11.166 -1.483 1.00 0.00 O ATOM 541 CB ARG A 38 9.800 -7.835 -1.289 1.00 0.00 C ATOM 542 CG ARG A 38 9.594 -8.446 0.099 1.00 0.00 C ATOM 543 CD ARG A 38 9.564 -7.360 1.176 1.00 0.00 C ATOM 544 NE ARG A 38 10.204 -7.858 2.414 1.00 0.00 N ATOM 545 CZ ARG A 38 11.512 -8.123 2.530 1.00 0.00 C ATOM 546 NH1 ARG A 38 12.328 -7.940 1.482 1.00 0.00 N ATOM 547 NH2 ARG A 38 12.005 -8.572 3.692 1.00 0.00 N ATOM 0 H ARG A 38 8.812 -7.997 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 38 11.180 -9.096 -2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.620 -7.118 -1.257 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.907 -7.285 -1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.660 -9.008 0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.396 -9.153 0.312 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.083 -6.470 0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.534 -7.068 1.381 1.00 0.00 H new ATOM 0 HE ARG A 38 9.612 -8.009 3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.953 -7.599 0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.324 -8.142 1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.384 -8.712 4.489 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.001 -8.774 3.780 1.00 0.00 H new ATOM 561 N ILE A 39 8.068 -10.191 -2.114 1.00 0.00 N ATOM 562 CA ILE A 39 7.251 -11.347 -1.783 1.00 0.00 C ATOM 563 C ILE A 39 7.362 -12.382 -2.904 1.00 0.00 C ATOM 564 O ILE A 39 7.300 -13.584 -2.652 1.00 0.00 O ATOM 565 CB ILE A 39 5.813 -10.918 -1.483 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.147 -10.325 -2.725 1.00 0.00 C ATOM 567 CG2 ILE A 39 5.765 -9.958 -0.292 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.708 -9.899 -2.425 1.00 0.00 C ATOM 0 H ILE A 39 7.550 -9.395 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 39 7.615 -11.822 -0.872 1.00 0.00 H new ATOM 0 HB ILE A 39 5.243 -11.804 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.719 -9.465 -3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.152 -11.059 -3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.732 -9.668 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.174 -10.451 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.355 -9.070 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.257 -9.481 -3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.132 -10.766 -2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.708 -9.147 -1.636 1.00 0.00 H new ATOM 580 N GLY A 40 7.525 -11.877 -4.118 1.00 0.00 N ATOM 581 CA GLY A 40 7.646 -12.743 -5.279 1.00 0.00 C ATOM 582 C GLY A 40 6.398 -12.658 -6.159 1.00 0.00 C ATOM 583 O GLY A 40 6.099 -13.585 -6.911 1.00 0.00 O ATOM 0 H GLY A 40 7.576 -10.879 -4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.524 -12.459 -5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.797 -13.773 -4.955 1.00 0.00 H new ATOM 587 N TRP A 41 5.701 -11.538 -6.036 1.00 0.00 N ATOM 588 CA TRP A 41 4.492 -11.319 -6.811 1.00 0.00 C ATOM 589 C TRP A 41 3.436 -12.317 -6.330 1.00 0.00 C ATOM 590 O TRP A 41 2.493 -12.626 -7.057 1.00 0.00 O ATOM 591 CB TRP A 41 4.775 -11.425 -8.311 1.00 0.00 C ATOM 592 CG TRP A 41 5.884 -10.492 -8.802 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.205 -10.604 -8.601 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.715 -9.294 -9.588 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.896 -9.570 -9.199 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.961 -8.748 -9.818 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.547 -8.692 -10.089 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.160 -7.574 -10.553 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.763 -7.519 -10.822 1.00 0.00 C ATOM 600 CH2 TRP A 41 6.011 -6.956 -11.062 1.00 0.00 C ATOM 0 H TRP A 41 5.951 -10.772 -5.411 1.00 0.00 H new ATOM 0 HA TRP A 41 4.113 -10.309 -6.657 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.048 -12.453 -8.547 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.859 -11.205 -8.860 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.670 -11.403 -8.042 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.907 -9.434 -9.189 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.562 -9.102 -9.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.146 -7.167 -10.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.899 -7.016 -11.230 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.094 -6.046 -11.638 1.00 0.00 H new ATOM 611 N ARG A 42 3.630 -12.793 -5.109 1.00 0.00 N ATOM 612 CA ARG A 42 2.706 -13.749 -4.523 1.00 0.00 C ATOM 613 C ARG A 42 2.252 -13.271 -3.143 1.00 0.00 C ATOM 614 O ARG A 42 2.986 -12.564 -2.454 1.00 0.00 O ATOM 615 CB ARG A 42 3.353 -15.129 -4.389 1.00 0.00 C ATOM 616 CG ARG A 42 2.349 -16.239 -4.708 1.00 0.00 C ATOM 617 CD ARG A 42 3.022 -17.613 -4.677 1.00 0.00 C ATOM 618 NE ARG A 42 3.299 -18.009 -3.279 1.00 0.00 N ATOM 619 CZ ARG A 42 4.401 -17.657 -2.602 1.00 0.00 C ATOM 620 NH1 ARG A 42 5.336 -16.900 -3.192 1.00 0.00 N ATOM 621 NH2 ARG A 42 4.568 -18.063 -1.336 1.00 0.00 N ATOM 0 H ARG A 42 4.414 -12.534 -4.509 1.00 0.00 H new ATOM 0 HA ARG A 42 1.844 -13.827 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.207 -15.201 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.734 -15.259 -3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.532 -16.214 -3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.911 -16.067 -5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.378 -18.353 -5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.951 -17.585 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 42 2.608 -18.586 -2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.209 -16.592 -4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.175 -16.632 -2.677 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.856 -18.640 -0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.407 -17.795 -0.821 1.00 0.00 H new ATOM 635 N ILE A 43 1.043 -13.675 -2.780 1.00 0.00 N ATOM 636 CA ILE A 43 0.482 -13.296 -1.494 1.00 0.00 C ATOM 637 C ILE A 43 0.020 -14.553 -0.754 1.00 0.00 C ATOM 638 O ILE A 43 -0.645 -15.410 -1.334 1.00 0.00 O ATOM 639 CB ILE A 43 -0.619 -12.251 -1.677 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.031 -10.902 -2.096 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.480 -12.134 -0.418 1.00 0.00 C ATOM 642 CD1 ILE A 43 -0.461 -10.534 -3.518 1.00 0.00 C ATOM 0 H ILE A 43 0.437 -14.261 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 43 1.241 -12.820 -0.873 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.272 -12.582 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.357 -10.128 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.057 -10.942 -2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.255 -11.384 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.945 -13.097 -0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.855 -11.838 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.029 -9.571 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.112 -11.298 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.548 -10.471 -3.564 1.00 0.00 H new ATOM 654 N GLN A 44 0.391 -14.623 0.516 1.00 0.00 N ATOM 655 CA GLN A 44 0.023 -15.761 1.341 1.00 0.00 C ATOM 656 C GLN A 44 -0.310 -15.301 2.762 1.00 0.00 C ATOM 657 O GLN A 44 -0.130 -14.131 3.097 1.00 0.00 O ATOM 658 CB GLN A 44 1.134 -16.813 1.352 1.00 0.00 C ATOM 659 CG GLN A 44 1.047 -17.715 0.120 1.00 0.00 C ATOM 660 CD GLN A 44 0.969 -19.189 0.524 1.00 0.00 C ATOM 661 OE1 GLN A 44 0.407 -19.551 1.544 1.00 0.00 O ATOM 662 NE2 GLN A 44 1.563 -20.016 -0.332 1.00 0.00 N ATOM 0 H GLN A 44 0.943 -13.910 0.994 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.866 -16.223 0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.106 -16.320 1.378 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.058 -17.418 2.256 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.169 -17.449 -0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.918 -17.554 -0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.016 -19.646 -1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.566 -21.020 -0.153 1.00 0.00 H new ATOM 671 N ARG A 45 -0.790 -16.245 3.558 1.00 0.00 N ATOM 672 CA ARG A 45 -1.151 -15.950 4.935 1.00 0.00 C ATOM 673 C ARG A 45 0.088 -15.532 5.730 1.00 0.00 C ATOM 674 O ARG A 45 -0.027 -15.030 6.846 1.00 0.00 O ATOM 675 CB ARG A 45 -1.794 -17.165 5.607 1.00 0.00 C ATOM 676 CG ARG A 45 -0.936 -18.417 5.416 1.00 0.00 C ATOM 677 CD ARG A 45 -0.643 -19.091 6.757 1.00 0.00 C ATOM 678 NE ARG A 45 -1.267 -20.433 6.796 1.00 0.00 N ATOM 679 CZ ARG A 45 -2.587 -20.645 6.878 1.00 0.00 C ATOM 680 NH1 ARG A 45 -3.431 -19.605 6.931 1.00 0.00 N ATOM 681 NH2 ARG A 45 -3.064 -21.897 6.908 1.00 0.00 N ATOM 0 H ARG A 45 -0.937 -17.214 3.276 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.872 -15.132 4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.925 -16.969 6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.787 -17.333 5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.450 -19.117 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.001 -18.149 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.434 -19.177 6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.027 -18.478 7.573 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.653 -21.247 6.758 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.068 -18.652 6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.436 -19.767 6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.422 -22.688 6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.069 -22.058 6.970 1.00 0.00 H new ATOM 695 N GLN A 46 1.245 -15.756 5.123 1.00 0.00 N ATOM 696 CA GLN A 46 2.503 -15.409 5.760 1.00 0.00 C ATOM 697 C GLN A 46 2.842 -13.939 5.502 1.00 0.00 C ATOM 698 O GLN A 46 3.134 -13.193 6.435 1.00 0.00 O ATOM 699 CB GLN A 46 3.632 -16.324 5.280 1.00 0.00 C ATOM 700 CG GLN A 46 3.294 -17.794 5.540 1.00 0.00 C ATOM 701 CD GLN A 46 4.431 -18.494 6.286 1.00 0.00 C ATOM 702 OE1 GLN A 46 5.289 -19.136 5.702 1.00 0.00 O ATOM 703 NE2 GLN A 46 4.390 -18.336 7.606 1.00 0.00 N ATOM 0 H GLN A 46 1.337 -16.174 4.197 1.00 0.00 H new ATOM 0 HA GLN A 46 2.395 -15.553 6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.802 -16.169 4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.558 -16.064 5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.376 -17.862 6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.109 -18.301 4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.644 -17.786 8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.105 -18.765 8.193 1.00 0.00 H new ATOM 712 N ASP A 47 2.791 -13.568 4.231 1.00 0.00 N ATOM 713 CA ASP A 47 3.089 -12.201 3.838 1.00 0.00 C ATOM 714 C ASP A 47 1.985 -11.276 4.353 1.00 0.00 C ATOM 715 O ASP A 47 2.145 -10.056 4.359 1.00 0.00 O ATOM 716 CB ASP A 47 3.146 -12.066 2.315 1.00 0.00 C ATOM 717 CG ASP A 47 4.058 -13.073 1.611 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.287 -12.965 1.814 1.00 0.00 O ATOM 719 OD2 ASP A 47 3.506 -13.928 0.885 1.00 0.00 O ATOM 0 H ASP A 47 2.548 -14.190 3.460 1.00 0.00 H new ATOM 0 HA ASP A 47 4.057 -11.931 4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.137 -12.173 1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.481 -11.059 2.067 1.00 0.00 H new ATOM 724 N ASP A 48 0.889 -11.890 4.774 1.00 0.00 N ATOM 725 CA ASP A 48 -0.241 -11.137 5.289 1.00 0.00 C ATOM 726 C ASP A 48 0.272 -10.001 6.177 1.00 0.00 C ATOM 727 O ASP A 48 -0.205 -8.871 6.083 1.00 0.00 O ATOM 728 CB ASP A 48 -1.154 -12.024 6.137 1.00 0.00 C ATOM 729 CG ASP A 48 -2.494 -12.379 5.489 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.509 -12.499 4.245 1.00 0.00 O ATOM 731 OD2 ASP A 48 -3.474 -12.521 6.253 1.00 0.00 O ATOM 0 H ASP A 48 0.760 -12.902 4.769 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.803 -10.749 4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.624 -12.948 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.348 -11.520 7.084 1.00 0.00 H new ATOM 736 N GLU A 49 1.237 -10.341 7.020 1.00 0.00 N ATOM 737 CA GLU A 49 1.819 -9.364 7.924 1.00 0.00 C ATOM 738 C GLU A 49 2.450 -8.217 7.131 1.00 0.00 C ATOM 739 O GLU A 49 2.263 -7.049 7.467 1.00 0.00 O ATOM 740 CB GLU A 49 2.844 -10.018 8.852 1.00 0.00 C ATOM 741 CG GLU A 49 2.290 -10.157 10.271 1.00 0.00 C ATOM 742 CD GLU A 49 3.397 -9.984 11.312 1.00 0.00 C ATOM 743 OE1 GLU A 49 4.249 -9.096 11.092 1.00 0.00 O ATOM 744 OE2 GLU A 49 3.367 -10.743 12.305 1.00 0.00 O ATOM 0 H GLU A 49 1.630 -11.279 7.096 1.00 0.00 H new ATOM 0 HA GLU A 49 1.023 -8.955 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.114 -11.001 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.756 -9.421 8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.512 -9.412 10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.825 -11.136 10.389 1.00 0.00 H new ATOM 751 N VAL A 50 3.185 -8.591 6.094 1.00 0.00 N ATOM 752 CA VAL A 50 3.845 -7.609 5.251 1.00 0.00 C ATOM 753 C VAL A 50 2.794 -6.867 4.422 1.00 0.00 C ATOM 754 O VAL A 50 2.910 -5.663 4.201 1.00 0.00 O ATOM 755 CB VAL A 50 4.913 -8.289 4.393 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.861 -7.257 3.778 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.687 -9.330 5.204 1.00 0.00 C ATOM 0 H VAL A 50 3.338 -9.561 5.818 1.00 0.00 H new ATOM 0 HA VAL A 50 4.361 -6.867 5.860 1.00 0.00 H new ATOM 0 HB VAL A 50 4.408 -8.808 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.611 -7.767 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.293 -6.570 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.355 -6.698 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.440 -9.799 4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.175 -8.844 6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.998 -10.090 5.572 1.00 0.00 H new ATOM 767 N ILE A 51 1.793 -7.617 3.986 1.00 0.00 N ATOM 768 CA ILE A 51 0.723 -7.046 3.186 1.00 0.00 C ATOM 769 C ILE A 51 -0.024 -5.999 4.014 1.00 0.00 C ATOM 770 O ILE A 51 0.022 -4.809 3.705 1.00 0.00 O ATOM 771 CB ILE A 51 -0.179 -8.150 2.632 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.639 -9.200 1.876 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.296 -7.563 1.766 1.00 0.00 C ATOM 774 CD1 ILE A 51 0.785 -8.824 0.400 1.00 0.00 C ATOM 0 H ILE A 51 1.700 -8.616 4.172 1.00 0.00 H new ATOM 0 HA ILE A 51 1.131 -6.532 2.315 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.654 -8.656 3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.625 -9.294 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.155 -10.173 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.923 -8.369 1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.903 -6.884 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.859 -7.017 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.370 -9.587 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.202 -8.755 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.291 -7.862 0.318 1.00 0.00 H new ATOM 786 N GLN A 52 -0.694 -6.480 5.051 1.00 0.00 N ATOM 787 CA GLN A 52 -1.450 -5.600 5.927 1.00 0.00 C ATOM 788 C GLN A 52 -0.564 -4.454 6.420 1.00 0.00 C ATOM 789 O GLN A 52 -1.056 -3.361 6.699 1.00 0.00 O ATOM 790 CB GLN A 52 -2.047 -6.377 7.102 1.00 0.00 C ATOM 791 CG GLN A 52 -2.959 -7.502 6.609 1.00 0.00 C ATOM 792 CD GLN A 52 -4.209 -7.617 7.483 1.00 0.00 C ATOM 793 OE1 GLN A 52 -4.153 -7.979 8.646 1.00 0.00 O ATOM 794 NE2 GLN A 52 -5.337 -7.290 6.858 1.00 0.00 N ATOM 0 H GLN A 52 -0.729 -7.467 5.304 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.277 -5.175 5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.245 -6.795 7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.613 -5.699 7.741 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.250 -7.313 5.576 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.415 -8.447 6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.312 -6.995 5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.227 -7.334 7.355 1.00 0.00 H new ATOM 803 N ARG A 53 0.725 -4.742 6.513 1.00 0.00 N ATOM 804 CA ARG A 53 1.684 -3.750 6.968 1.00 0.00 C ATOM 805 C ARG A 53 1.980 -2.747 5.851 1.00 0.00 C ATOM 806 O ARG A 53 1.847 -1.539 6.044 1.00 0.00 O ATOM 807 CB ARG A 53 2.991 -4.409 7.413 1.00 0.00 C ATOM 808 CG ARG A 53 4.097 -3.367 7.593 1.00 0.00 C ATOM 809 CD ARG A 53 3.765 -2.407 8.737 1.00 0.00 C ATOM 810 NE ARG A 53 4.601 -1.190 8.636 1.00 0.00 N ATOM 811 CZ ARG A 53 4.570 -0.182 9.518 1.00 0.00 C ATOM 812 NH1 ARG A 53 3.744 -0.238 10.571 1.00 0.00 N ATOM 813 NH2 ARG A 53 5.365 0.883 9.347 1.00 0.00 N ATOM 0 H ARG A 53 1.129 -5.649 6.281 1.00 0.00 H new ATOM 0 HA ARG A 53 1.245 -3.231 7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.833 -4.942 8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.300 -5.148 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.044 -3.868 7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.226 -2.805 6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.710 -2.137 8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.936 -2.897 9.695 1.00 0.00 H new ATOM 0 HE ARG A 53 5.241 -1.114 7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.138 -1.048 10.702 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.721 0.530 11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.994 0.926 8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.341 1.650 10.019 1.00 0.00 H new ATOM 827 N PHE A 54 2.377 -3.285 4.707 1.00 0.00 N ATOM 828 CA PHE A 54 2.693 -2.452 3.559 1.00 0.00 C ATOM 829 C PHE A 54 1.524 -1.528 3.213 1.00 0.00 C ATOM 830 O PHE A 54 1.713 -0.494 2.574 1.00 0.00 O ATOM 831 CB PHE A 54 2.950 -3.394 2.381 1.00 0.00 C ATOM 832 CG PHE A 54 2.863 -2.716 1.012 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.649 -2.406 0.482 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.999 -2.423 0.325 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.568 -1.777 -0.788 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.918 -1.794 -0.946 1.00 0.00 C ATOM 837 CZ PHE A 54 2.705 -1.484 -1.475 1.00 0.00 C ATOM 0 H PHE A 54 2.487 -4.287 4.551 1.00 0.00 H new ATOM 0 HA PHE A 54 3.560 -1.829 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.939 -3.838 2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.228 -4.210 2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.746 -2.639 1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.963 -2.668 0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.604 -1.531 -1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.820 -1.562 -1.492 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.644 -1.005 -2.441 1.00 0.00 H new ATOM 847 N CYS A 55 0.341 -1.934 3.650 1.00 0.00 N ATOM 848 CA CYS A 55 -0.859 -1.155 3.395 1.00 0.00 C ATOM 849 C CYS A 55 -0.911 -0.007 4.405 1.00 0.00 C ATOM 850 O CYS A 55 -1.602 0.987 4.186 1.00 0.00 O ATOM 851 CB CYS A 55 -2.118 -2.022 3.451 1.00 0.00 C ATOM 852 SG CYS A 55 -3.610 -0.964 3.376 1.00 0.00 S ATOM 0 H CYS A 55 0.188 -2.792 4.179 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.823 -0.747 2.385 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.121 -2.728 2.621 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.124 -2.610 4.369 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.968 -0.806 2.136 1.00 0.00 H new ATOM 858 N GLN A 56 -0.171 -0.182 5.490 1.00 0.00 N ATOM 859 CA GLN A 56 -0.124 0.826 6.535 1.00 0.00 C ATOM 860 C GLN A 56 0.845 1.946 6.149 1.00 0.00 C ATOM 861 O GLN A 56 0.747 3.060 6.660 1.00 0.00 O ATOM 862 CB GLN A 56 0.263 0.206 7.879 1.00 0.00 C ATOM 863 CG GLN A 56 1.744 0.439 8.184 1.00 0.00 C ATOM 864 CD GLN A 56 1.982 1.864 8.688 1.00 0.00 C ATOM 865 OE1 GLN A 56 1.154 2.460 9.358 1.00 0.00 O ATOM 866 NE2 GLN A 56 3.157 2.375 8.330 1.00 0.00 N ATOM 0 H GLN A 56 0.401 -1.007 5.668 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.120 1.255 6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.348 0.638 8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.055 -0.864 7.863 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.082 -0.277 8.933 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.336 0.263 7.286 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.804 1.822 7.768 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.411 3.320 8.617 1.00 0.00 H new ATOM 875 N GLU A 57 1.758 1.611 5.249 1.00 0.00 N ATOM 876 CA GLU A 57 2.743 2.574 4.788 1.00 0.00 C ATOM 877 C GLU A 57 2.289 3.210 3.472 1.00 0.00 C ATOM 878 O GLU A 57 2.581 4.375 3.209 1.00 0.00 O ATOM 879 CB GLU A 57 4.118 1.921 4.636 1.00 0.00 C ATOM 880 CG GLU A 57 4.249 1.229 3.277 1.00 0.00 C ATOM 881 CD GLU A 57 5.682 0.744 3.045 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.541 1.614 2.789 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.884 -0.487 3.130 1.00 0.00 O ATOM 0 H GLU A 57 1.836 0.686 4.827 1.00 0.00 H new ATOM 0 HA GLU A 57 2.832 3.361 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.897 2.676 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.270 1.194 5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.563 0.384 3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.962 1.920 2.484 1.00 0.00 H new ATOM 890 N THR A 58 1.582 2.416 2.681 1.00 0.00 N ATOM 891 CA THR A 58 1.085 2.887 1.400 1.00 0.00 C ATOM 892 C THR A 58 -0.387 3.286 1.513 1.00 0.00 C ATOM 893 O THR A 58 -0.745 4.434 1.253 1.00 0.00 O ATOM 894 CB THR A 58 1.339 1.791 0.363 1.00 0.00 C ATOM 895 OG1 THR A 58 0.608 0.671 0.855 1.00 0.00 O ATOM 896 CG2 THR A 58 2.793 1.314 0.359 1.00 0.00 C ATOM 0 H THR A 58 1.342 1.450 2.903 1.00 0.00 H new ATOM 0 HA THR A 58 1.609 3.787 1.079 1.00 0.00 H new ATOM 0 HB THR A 58 1.076 2.161 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.227 -0.063 1.051 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.919 0.537 -0.395 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.450 2.152 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.047 0.913 1.340 1.00 0.00 H new ATOM 904 N GLY A 59 -1.202 2.316 1.901 1.00 0.00 N ATOM 905 CA GLY A 59 -2.628 2.553 2.052 1.00 0.00 C ATOM 906 C GLY A 59 -3.427 1.772 1.007 1.00 0.00 C ATOM 907 O GLY A 59 -4.656 1.829 0.989 1.00 0.00 O ATOM 0 H GLY A 59 -0.902 1.365 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.945 2.259 3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.836 3.618 1.952 1.00 0.00 H new ATOM 911 N VAL A 60 -2.697 1.060 0.161 1.00 0.00 N ATOM 912 CA VAL A 60 -3.322 0.269 -0.886 1.00 0.00 C ATOM 913 C VAL A 60 -3.961 -0.975 -0.265 1.00 0.00 C ATOM 914 O VAL A 60 -3.409 -1.562 0.664 1.00 0.00 O ATOM 915 CB VAL A 60 -2.297 -0.063 -1.973 1.00 0.00 C ATOM 916 CG1 VAL A 60 -2.881 -1.041 -2.995 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.791 1.208 -2.656 1.00 0.00 C ATOM 0 H VAL A 60 -1.678 1.014 0.179 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.117 0.835 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.445 -0.547 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.133 -1.261 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.169 -1.964 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.758 -0.595 -3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.064 0.944 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.629 1.733 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.319 1.855 -1.917 1.00 0.00 H new ATOM 927 N PRO A 61 -5.145 -1.350 -0.819 1.00 0.00 N ATOM 928 CA PRO A 61 -5.865 -2.513 -0.330 1.00 0.00 C ATOM 929 C PRO A 61 -5.197 -3.808 -0.798 1.00 0.00 C ATOM 930 O PRO A 61 -4.691 -3.880 -1.917 1.00 0.00 O ATOM 931 CB PRO A 61 -7.281 -2.350 -0.859 1.00 0.00 C ATOM 932 CG PRO A 61 -7.187 -1.353 -2.002 1.00 0.00 C ATOM 933 CD PRO A 61 -5.827 -0.678 -1.921 1.00 0.00 C ATOM 0 HA PRO A 61 -5.866 -2.581 0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.681 -3.303 -1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.950 -1.987 -0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.306 -1.859 -2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.985 -0.614 -1.930 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.274 -0.787 -2.854 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.926 0.391 -1.732 1.00 0.00 H new ATOM 941 N ARG A 62 -5.217 -4.798 0.081 1.00 0.00 N ATOM 942 CA ARG A 62 -4.620 -6.086 -0.228 1.00 0.00 C ATOM 943 C ARG A 62 -5.144 -6.606 -1.568 1.00 0.00 C ATOM 944 O ARG A 62 -4.364 -6.883 -2.478 1.00 0.00 O ATOM 945 CB ARG A 62 -4.927 -7.112 0.865 1.00 0.00 C ATOM 946 CG ARG A 62 -4.506 -8.518 0.431 1.00 0.00 C ATOM 947 CD ARG A 62 -4.475 -9.474 1.625 1.00 0.00 C ATOM 948 NE ARG A 62 -5.542 -10.491 1.487 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.023 -11.217 2.504 1.00 0.00 C ATOM 950 NH1 ARG A 62 -5.537 -11.044 3.741 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.991 -12.118 2.286 1.00 0.00 N ATOM 0 H ARG A 62 -5.638 -4.734 1.008 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.541 -5.946 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.405 -6.839 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.993 -7.101 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.199 -8.893 -0.322 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.521 -8.479 -0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.502 -9.962 1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.610 -8.916 2.552 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.935 -10.648 0.559 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.800 -10.359 3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.904 -11.597 4.515 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.362 -12.251 1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.357 -12.671 3.061 1.00 0.00 H new ATOM 965 N GLN A 63 -6.462 -6.723 -1.647 1.00 0.00 N ATOM 966 CA GLN A 63 -7.099 -7.205 -2.860 1.00 0.00 C ATOM 967 C GLN A 63 -6.490 -6.522 -4.087 1.00 0.00 C ATOM 968 O GLN A 63 -6.345 -7.143 -5.139 1.00 0.00 O ATOM 969 CB GLN A 63 -8.612 -6.989 -2.808 1.00 0.00 C ATOM 970 CG GLN A 63 -9.328 -7.875 -3.830 1.00 0.00 C ATOM 971 CD GLN A 63 -10.663 -7.257 -4.251 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.171 -6.334 -3.635 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.201 -7.815 -5.331 1.00 0.00 N ATOM 0 H GLN A 63 -7.106 -6.492 -0.890 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.921 -8.277 -2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.981 -7.212 -1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.840 -5.942 -3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.694 -8.011 -4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.499 -8.863 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.723 -8.585 -5.799 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.092 -7.473 -5.691 1.00 0.00 H new ATOM 982 N VAL A 64 -6.150 -5.254 -3.910 1.00 0.00 N ATOM 983 CA VAL A 64 -5.560 -4.480 -4.990 1.00 0.00 C ATOM 984 C VAL A 64 -4.120 -4.946 -5.217 1.00 0.00 C ATOM 985 O VAL A 64 -3.771 -5.382 -6.313 1.00 0.00 O ATOM 986 CB VAL A 64 -5.663 -2.986 -4.679 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.499 -2.214 -5.305 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.007 -2.421 -5.142 1.00 0.00 C ATOM 0 H VAL A 64 -6.271 -4.743 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.105 -4.643 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.603 -2.864 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.596 -1.154 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.557 -2.590 -4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.514 -2.347 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.054 -1.357 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.110 -2.562 -6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.816 -2.941 -4.629 1.00 0.00 H new ATOM 998 N LEU A 65 -3.324 -4.837 -4.164 1.00 0.00 N ATOM 999 CA LEU A 65 -1.930 -5.241 -4.235 1.00 0.00 C ATOM 1000 C LEU A 65 -1.846 -6.682 -4.744 1.00 0.00 C ATOM 1001 O LEU A 65 -0.805 -7.110 -5.240 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.239 -5.024 -2.888 1.00 0.00 C ATOM 1003 CG LEU A 65 0.272 -5.264 -2.862 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.593 -6.752 -3.016 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.981 -4.412 -3.916 1.00 0.00 C ATOM 0 H LEU A 65 -3.618 -4.475 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.390 -4.618 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.430 -4.001 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.704 -5.682 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 65 0.651 -4.952 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.673 -6.895 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.137 -7.309 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.198 -7.113 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.054 -4.602 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.604 -4.669 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.792 -3.357 -3.718 1.00 0.00 H new ATOM 1017 N LYS A 66 -2.957 -7.391 -4.602 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.023 -8.774 -5.041 1.00 0.00 C ATOM 1019 C LYS A 66 -3.143 -8.816 -6.566 1.00 0.00 C ATOM 1020 O LYS A 66 -2.193 -9.178 -7.257 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.148 -9.514 -4.315 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.148 -11.001 -4.674 1.00 0.00 C ATOM 1023 CD LYS A 66 -4.121 -11.869 -3.414 1.00 0.00 C ATOM 1024 CE LYS A 66 -4.769 -13.231 -3.673 1.00 0.00 C ATOM 1025 NZ LYS A 66 -3.844 -14.324 -3.302 1.00 0.00 N ATOM 0 H LYS A 66 -3.818 -7.033 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.105 -9.301 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.029 -9.396 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.109 -9.072 -4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.034 -11.237 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.282 -11.229 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.091 -12.009 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.646 -11.360 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.691 -13.317 -3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.040 -13.317 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.299 -15.241 -3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.975 -14.251 -3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.606 -14.250 -2.292 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.320 -8.442 -7.045 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.578 -8.432 -8.475 1.00 0.00 C ATOM 1041 C VAL A 67 -3.558 -7.525 -9.166 1.00 0.00 C ATOM 1042 O VAL A 67 -3.115 -7.816 -10.276 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.026 -8.017 -8.743 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -6.319 -7.990 -10.245 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -7.004 -8.936 -8.010 1.00 0.00 C ATOM 0 H VAL A 67 -5.106 -8.143 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.459 -9.432 -8.892 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.162 -7.007 -8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.355 -7.692 -10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.655 -7.276 -10.732 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.156 -8.982 -10.665 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.026 -8.619 -8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.866 -9.962 -8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.818 -8.883 -6.937 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.214 -6.444 -8.481 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.255 -5.493 -9.015 1.00 0.00 C ATOM 1057 C TRP A 68 -1.121 -6.283 -9.671 1.00 0.00 C ATOM 1058 O TRP A 68 -0.832 -6.098 -10.852 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.765 -4.537 -7.925 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.707 -3.540 -8.401 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.898 -2.355 -8.996 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.725 -3.691 -8.298 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.300 -1.733 -9.282 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.318 -2.571 -8.844 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.493 -4.739 -7.760 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.706 -2.392 -8.906 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.878 -4.545 -7.830 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.491 -3.423 -8.376 1.00 0.00 C ATOM 0 H TRP A 68 -3.583 -6.206 -7.560 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.720 -4.859 -9.770 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.618 -3.985 -7.530 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.354 -5.121 -7.101 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.868 -1.939 -9.223 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.417 -0.825 -9.732 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.050 -5.624 -7.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.147 -1.506 -9.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.515 -5.321 -7.432 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.568 -3.347 -8.391 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.507 -7.148 -8.876 1.00 0.00 N ATOM 1080 CA LEU A 69 0.589 -7.967 -9.364 1.00 0.00 C ATOM 1081 C LEU A 69 0.184 -8.615 -10.689 1.00 0.00 C ATOM 1082 O LEU A 69 0.865 -8.449 -11.700 1.00 0.00 O ATOM 1083 CB LEU A 69 1.025 -8.971 -8.296 1.00 0.00 C ATOM 1084 CG LEU A 69 1.330 -8.390 -6.914 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.973 -9.386 -5.809 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.787 -7.931 -6.822 1.00 0.00 C ATOM 0 H LEU A 69 -0.748 -7.299 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 69 1.465 -7.351 -9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.241 -9.720 -8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.914 -9.490 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 69 0.704 -7.509 -6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.200 -8.948 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.090 -9.622 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.554 -10.299 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.978 -7.522 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.448 -8.780 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.975 -7.164 -7.573 1.00 0.00 H new ATOM 1098 N HIS A 70 -0.924 -9.341 -10.642 1.00 0.00 N ATOM 1099 CA HIS A 70 -1.428 -10.015 -11.826 1.00 0.00 C ATOM 1100 C HIS A 70 -1.639 -8.996 -12.947 1.00 0.00 C ATOM 1101 O HIS A 70 -1.376 -9.286 -14.113 1.00 0.00 O ATOM 1102 CB HIS A 70 -2.695 -10.810 -11.502 1.00 0.00 C ATOM 1103 CG HIS A 70 -3.157 -11.713 -12.620 1.00 0.00 C ATOM 1104 ND1 HIS A 70 -2.329 -12.644 -13.223 1.00 0.00 N ATOM 1105 CD2 HIS A 70 -4.369 -11.818 -13.237 1.00 0.00 C ATOM 1106 CE1 HIS A 70 -3.022 -13.274 -14.160 1.00 0.00 C ATOM 1107 NE2 HIS A 70 -4.285 -12.761 -14.168 1.00 0.00 N ATOM 0 H HIS A 70 -1.487 -9.477 -9.802 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.693 -10.740 -12.175 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.515 -11.414 -10.612 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.496 -10.113 -11.257 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.248 -11.233 -13.007 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.651 -14.057 -14.805 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.041 -13.053 -14.787 1.00 0.00 H new ATOM 1115 N ASN A 71 -2.111 -7.822 -12.554 1.00 0.00 N ATOM 1116 CA ASN A 71 -2.360 -6.757 -13.511 1.00 0.00 C ATOM 1117 C ASN A 71 -1.027 -6.270 -14.085 1.00 0.00 C ATOM 1118 O ASN A 71 -0.965 -5.830 -15.231 1.00 0.00 O ATOM 1119 CB ASN A 71 -3.050 -5.566 -12.843 1.00 0.00 C ATOM 1120 CG ASN A 71 -4.442 -5.336 -13.436 1.00 0.00 C ATOM 1121 OD1 ASN A 71 -4.771 -4.263 -13.914 1.00 0.00 O ATOM 1122 ND2 ASN A 71 -5.237 -6.400 -13.377 1.00 0.00 N ATOM 0 H ASN A 71 -2.328 -7.585 -11.586 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.004 -7.153 -14.296 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.132 -5.743 -11.771 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.443 -4.670 -12.972 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.187 -6.348 -13.746 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.897 -7.268 -12.963 1.00 0.00 H new ATOM 1129 N ASN A 72 0.006 -6.367 -13.260 1.00 0.00 N ATOM 1130 CA ASN A 72 1.333 -5.942 -13.671 1.00 0.00 C ATOM 1131 C ASN A 72 2.032 -7.095 -14.395 1.00 0.00 C ATOM 1132 O ASN A 72 2.064 -7.132 -15.624 1.00 0.00 O ATOM 1133 CB ASN A 72 2.187 -5.556 -12.461 1.00 0.00 C ATOM 1134 CG ASN A 72 1.789 -4.180 -11.926 1.00 0.00 C ATOM 1135 OD1 ASN A 72 2.611 -3.299 -11.731 1.00 0.00 O ATOM 1136 ND2 ASN A 72 0.485 -4.043 -11.699 1.00 0.00 N ATOM 0 H ASN A 72 -0.050 -6.733 -12.310 1.00 0.00 H new ATOM 0 HA ASN A 72 1.223 -5.077 -14.325 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.070 -6.303 -11.676 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.240 -5.550 -12.742 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.120 -3.161 -11.340 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.149 -4.820 -11.884 1.00 0.00 H new ATOM 1143 N LYS A 73 2.574 -8.007 -13.601 1.00 0.00 N ATOM 1144 CA LYS A 73 3.270 -9.158 -14.151 1.00 0.00 C ATOM 1145 C LYS A 73 2.437 -9.758 -15.286 1.00 0.00 C ATOM 1146 O LYS A 73 1.221 -9.892 -15.165 1.00 0.00 O ATOM 1147 CB LYS A 73 3.609 -10.158 -13.044 1.00 0.00 C ATOM 1148 CG LYS A 73 2.406 -11.044 -12.716 1.00 0.00 C ATOM 1149 CD LYS A 73 2.800 -12.175 -11.765 1.00 0.00 C ATOM 1150 CE LYS A 73 3.356 -13.373 -12.537 1.00 0.00 C ATOM 1151 NZ LYS A 73 3.603 -14.510 -11.622 1.00 0.00 N ATOM 0 H LYS A 73 2.545 -7.972 -12.582 1.00 0.00 H new ATOM 0 HA LYS A 73 4.225 -8.856 -14.580 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.448 -10.780 -13.356 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.925 -9.622 -12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.619 -10.441 -12.263 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.997 -11.463 -13.635 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.547 -11.816 -11.057 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.932 -12.484 -11.183 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.652 -13.670 -13.314 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.283 -13.093 -13.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.980 -15.315 -12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.291 -14.228 -10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.711 -14.788 -11.165 1.00 0.00 H new ATOM 1165 N HIS A 74 3.127 -10.103 -16.364 1.00 0.00 N ATOM 1166 CA HIS A 74 2.467 -10.685 -17.520 1.00 0.00 C ATOM 1167 C HIS A 74 3.247 -11.913 -17.992 1.00 0.00 C ATOM 1168 O HIS A 74 4.245 -11.786 -18.699 1.00 0.00 O ATOM 1169 CB HIS A 74 2.282 -9.641 -18.623 1.00 0.00 C ATOM 1170 CG HIS A 74 0.891 -9.609 -19.212 1.00 0.00 C ATOM 1171 ND1 HIS A 74 -0.247 -9.459 -18.439 1.00 0.00 N ATOM 1172 CD2 HIS A 74 0.468 -9.707 -20.505 1.00 0.00 C ATOM 1173 CE1 HIS A 74 -1.301 -9.470 -19.240 1.00 0.00 C ATOM 1174 NE2 HIS A 74 -0.856 -9.624 -20.520 1.00 0.00 N ATOM 0 H HIS A 74 4.136 -9.990 -16.461 1.00 0.00 H new ATOM 0 HA HIS A 74 1.467 -11.017 -17.243 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.517 -8.656 -18.220 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.999 -9.839 -19.420 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.103 -9.831 -21.370 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.332 -9.374 -18.934 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.444 -9.668 -21.352 1.00 0.00 H new ATOM 1182 N SER A 75 2.761 -13.076 -17.582 1.00 0.00 N ATOM 1183 CA SER A 75 3.400 -14.327 -17.954 1.00 0.00 C ATOM 1184 C SER A 75 2.356 -15.309 -18.489 1.00 0.00 C ATOM 1185 O SER A 75 1.802 -16.105 -17.732 1.00 0.00 O ATOM 1186 CB SER A 75 4.145 -14.939 -16.766 1.00 0.00 C ATOM 1187 OG SER A 75 3.262 -15.286 -15.703 1.00 0.00 O ATOM 0 H SER A 75 1.932 -13.178 -16.996 1.00 0.00 H new ATOM 0 HA SER A 75 4.129 -14.119 -18.737 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.683 -15.828 -17.095 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.890 -14.232 -16.402 1.00 0.00 H new ATOM 0 HG SER A 75 2.443 -15.676 -16.073 1.00 0.00 H new ATOM 1193 N GLY A 76 2.120 -15.221 -19.790 1.00 0.00 N ATOM 1194 CA GLY A 76 1.152 -16.092 -20.435 1.00 0.00 C ATOM 1195 C GLY A 76 1.847 -17.093 -21.360 1.00 0.00 C ATOM 1196 O GLY A 76 2.214 -16.754 -22.484 1.00 0.00 O ATOM 0 H GLY A 76 2.582 -14.560 -20.415 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.579 -16.628 -19.679 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.443 -15.493 -21.008 1.00 0.00 H new ATOM 1200 N PRO A 77 2.012 -18.339 -20.839 1.00 0.00 N ATOM 1201 CA PRO A 77 2.656 -19.392 -21.605 1.00 0.00 C ATOM 1202 C PRO A 77 1.721 -19.931 -22.689 1.00 0.00 C ATOM 1203 O PRO A 77 2.174 -20.339 -23.758 1.00 0.00 O ATOM 1204 CB PRO A 77 3.045 -20.443 -20.579 1.00 0.00 C ATOM 1205 CG PRO A 77 2.197 -20.160 -19.350 1.00 0.00 C ATOM 1206 CD PRO A 77 1.590 -18.776 -19.511 1.00 0.00 C ATOM 0 HA PRO A 77 3.534 -19.041 -22.148 1.00 0.00 H new ATOM 0 HB2 PRO A 77 2.859 -21.447 -20.959 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.107 -20.384 -20.343 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.414 -20.911 -19.246 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.806 -20.207 -18.447 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.503 -18.808 -19.431 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.946 -18.095 -18.738 1.00 0.00 H new ATOM 1214 N SER A 78 0.434 -19.916 -22.377 1.00 0.00 N ATOM 1215 CA SER A 78 -0.569 -20.398 -23.312 1.00 0.00 C ATOM 1216 C SER A 78 -1.968 -20.023 -22.818 1.00 0.00 C ATOM 1217 O SER A 78 -2.294 -20.229 -21.650 1.00 0.00 O ATOM 1218 CB SER A 78 -0.461 -21.913 -23.501 1.00 0.00 C ATOM 1219 OG SER A 78 0.016 -22.256 -24.799 1.00 0.00 O ATOM 0 H SER A 78 0.062 -19.578 -21.490 1.00 0.00 H new ATOM 0 HA SER A 78 -0.393 -19.924 -24.278 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.210 -22.325 -22.747 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.438 -22.369 -23.342 1.00 0.00 H new ATOM 0 HG SER A 78 0.870 -21.805 -24.963 1.00 0.00 H new ATOM 1225 N SER A 79 -2.757 -19.479 -23.733 1.00 0.00 N ATOM 1226 CA SER A 79 -4.113 -19.073 -23.405 1.00 0.00 C ATOM 1227 C SER A 79 -5.043 -19.351 -24.588 1.00 0.00 C ATOM 1228 O SER A 79 -4.755 -18.952 -25.716 1.00 0.00 O ATOM 1229 CB SER A 79 -4.168 -17.593 -23.024 1.00 0.00 C ATOM 1230 OG SER A 79 -3.646 -16.757 -24.052 1.00 0.00 O ATOM 0 H SER A 79 -2.483 -19.310 -24.701 1.00 0.00 H new ATOM 0 HA SER A 79 -4.445 -19.654 -22.545 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.200 -17.310 -22.816 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.603 -17.434 -22.106 1.00 0.00 H new ATOM 0 HG SER A 79 -3.831 -17.159 -24.926 1.00 0.00 H new ATOM 1236 N GLY A 80 -6.139 -20.034 -24.291 1.00 0.00 N ATOM 1237 CA GLY A 80 -7.112 -20.370 -25.316 1.00 0.00 C ATOM 1238 C GLY A 80 -8.535 -20.068 -24.841 1.00 0.00 C ATOM 1239 O GLY A 80 -9.505 -20.444 -25.497 1.00 0.00 O ATOM 0 H GLY A 80 -6.374 -20.364 -23.355 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.900 -19.804 -26.223 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.026 -21.426 -25.572 1.00 0.00 H new TER 1243 GLY A 80