USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 549 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 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 ASN : amide:sc= -0.096 K(o=-0.096,f=-4.5!) 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 5 SER OG : rot 180:sc=-0.00427 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -170:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 171:sc=-0.00853 (180deg=-0.111) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.31) USER MOD Single : A 47 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-2.5!) USER MOD Single : A 50 LYS NZ :NH3+ -123:sc= -0.126 (180deg=-0.65) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -5.39! C(o=-5.4!,f=-4.2!) USER MOD Single : A 58 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.066) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -44:sc= 0.645 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.702 -9.666 -18.156 1.00 0.00 N ATOM 2 CA GLY A 1 3.849 -8.754 -19.275 1.00 0.00 C ATOM 3 C GLY A 1 5.123 -7.937 -19.194 1.00 0.00 C ATOM 4 O GLY A 1 6.221 -8.491 -19.139 1.00 0.00 O ATOM 0 H1 GLY A 1 2.816 -10.201 -18.258 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.505 -10.326 -18.139 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.679 -9.125 -17.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.844 -9.322 -20.205 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.991 -8.082 -19.307 1.00 0.00 H new ATOM 8 N SER A 2 4.977 -6.616 -19.187 1.00 0.00 N ATOM 9 CA SER A 2 6.126 -5.721 -19.118 1.00 0.00 C ATOM 10 C SER A 2 6.214 -5.055 -17.748 1.00 0.00 C ATOM 11 O SER A 2 5.196 -4.732 -17.135 1.00 0.00 O ATOM 12 CB SER A 2 6.035 -4.654 -20.211 1.00 0.00 C ATOM 13 OG SER A 2 4.928 -3.796 -19.996 1.00 0.00 O ATOM 0 H SER A 2 4.075 -6.142 -19.228 1.00 0.00 H new ATOM 0 HA SER A 2 7.027 -6.314 -19.273 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.954 -4.069 -20.229 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.943 -5.134 -21.185 1.00 0.00 H new ATOM 0 HG SER A 2 4.893 -3.122 -20.707 1.00 0.00 H new ATOM 19 N SER A 3 7.439 -4.852 -17.273 1.00 0.00 N ATOM 20 CA SER A 3 7.661 -4.229 -15.973 1.00 0.00 C ATOM 21 C SER A 3 9.123 -3.824 -15.808 1.00 0.00 C ATOM 22 O SER A 3 10.031 -4.573 -16.168 1.00 0.00 O ATOM 23 CB SER A 3 7.254 -5.183 -14.849 1.00 0.00 C ATOM 24 OG SER A 3 8.013 -6.379 -14.896 1.00 0.00 O ATOM 0 H SER A 3 8.292 -5.110 -17.769 1.00 0.00 H new ATOM 0 HA SER A 3 7.044 -3.332 -15.918 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.397 -4.696 -13.885 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.193 -5.418 -14.934 1.00 0.00 H new ATOM 0 HG SER A 3 7.735 -6.972 -14.166 1.00 0.00 H new ATOM 30 N GLY A 4 9.343 -2.633 -15.260 1.00 0.00 N ATOM 31 CA GLY A 4 10.696 -2.149 -15.056 1.00 0.00 C ATOM 32 C GLY A 4 11.337 -2.726 -13.809 1.00 0.00 C ATOM 33 O GLY A 4 11.479 -3.943 -13.683 1.00 0.00 O ATOM 0 H GLY A 4 8.609 -1.995 -14.954 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.304 -2.403 -15.924 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.682 -1.061 -14.984 1.00 0.00 H new ATOM 37 N SER A 5 11.726 -1.852 -12.887 1.00 0.00 N ATOM 38 CA SER A 5 12.361 -2.282 -11.646 1.00 0.00 C ATOM 39 C SER A 5 11.337 -2.388 -10.520 1.00 0.00 C ATOM 40 O SER A 5 11.589 -1.959 -9.394 1.00 0.00 O ATOM 41 CB SER A 5 13.471 -1.306 -11.252 1.00 0.00 C ATOM 42 OG SER A 5 12.935 -0.048 -10.878 1.00 0.00 O ATOM 0 H SER A 5 11.613 -0.842 -12.975 1.00 0.00 H new ATOM 0 HA SER A 5 12.796 -3.268 -11.811 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.047 -1.720 -10.424 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.160 -1.178 -12.087 1.00 0.00 H new ATOM 0 HG SER A 5 13.664 0.557 -10.629 1.00 0.00 H new ATOM 48 N SER A 6 10.180 -2.962 -10.833 1.00 0.00 N ATOM 49 CA SER A 6 9.115 -3.121 -9.850 1.00 0.00 C ATOM 50 C SER A 6 9.603 -3.920 -8.645 1.00 0.00 C ATOM 51 O SER A 6 9.820 -5.127 -8.733 1.00 0.00 O ATOM 52 CB SER A 6 7.908 -3.817 -10.482 1.00 0.00 C ATOM 53 OG SER A 6 6.746 -3.644 -9.690 1.00 0.00 O ATOM 0 H SER A 6 9.956 -3.325 -11.760 1.00 0.00 H new ATOM 0 HA SER A 6 8.817 -2.129 -9.510 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.734 -3.415 -11.480 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.117 -4.880 -10.598 1.00 0.00 H new ATOM 0 HG SER A 6 5.989 -4.097 -10.117 1.00 0.00 H new ATOM 59 N GLY A 7 9.773 -3.234 -7.518 1.00 0.00 N ATOM 60 CA GLY A 7 10.235 -3.895 -6.311 1.00 0.00 C ATOM 61 C GLY A 7 10.379 -2.936 -5.146 1.00 0.00 C ATOM 62 O GLY A 7 11.403 -2.931 -4.463 1.00 0.00 O ATOM 0 H GLY A 7 9.599 -2.234 -7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.535 -4.686 -6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.195 -4.372 -6.506 1.00 0.00 H new ATOM 66 N GLN A 8 9.352 -2.124 -4.919 1.00 0.00 N ATOM 67 CA GLN A 8 9.371 -1.155 -3.829 1.00 0.00 C ATOM 68 C GLN A 8 8.409 -1.566 -2.719 1.00 0.00 C ATOM 69 O GLN A 8 7.201 -1.347 -2.819 1.00 0.00 O ATOM 70 CB GLN A 8 9.006 0.236 -4.348 1.00 0.00 C ATOM 71 CG GLN A 8 10.087 0.867 -5.210 1.00 0.00 C ATOM 72 CD GLN A 8 9.677 2.217 -5.766 1.00 0.00 C ATOM 73 OE1 GLN A 8 10.004 3.260 -5.199 1.00 0.00 O ATOM 74 NE2 GLN A 8 8.957 2.204 -6.882 1.00 0.00 N ATOM 0 H GLN A 8 8.497 -2.117 -5.475 1.00 0.00 H new ATOM 0 HA GLN A 8 10.380 -1.128 -3.418 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.085 0.168 -4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.802 0.889 -3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.996 0.982 -4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.326 0.196 -6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.709 1.316 -7.318 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.653 3.082 -7.303 1.00 0.00 H new ATOM 83 N TYR A 9 8.951 -2.162 -1.663 1.00 0.00 N ATOM 84 CA TYR A 9 8.140 -2.605 -0.536 1.00 0.00 C ATOM 85 C TYR A 9 8.126 -1.556 0.572 1.00 0.00 C ATOM 86 O TYR A 9 9.142 -0.922 0.856 1.00 0.00 O ATOM 87 CB TYR A 9 8.670 -3.932 0.010 1.00 0.00 C ATOM 88 CG TYR A 9 9.097 -4.903 -1.067 1.00 0.00 C ATOM 89 CD1 TYR A 9 8.255 -5.206 -2.130 1.00 0.00 C ATOM 90 CD2 TYR A 9 10.343 -5.517 -1.023 1.00 0.00 C ATOM 91 CE1 TYR A 9 8.640 -6.094 -3.116 1.00 0.00 C ATOM 92 CE2 TYR A 9 10.737 -6.404 -2.005 1.00 0.00 C ATOM 93 CZ TYR A 9 9.883 -6.689 -3.050 1.00 0.00 C ATOM 94 OH TYR A 9 10.271 -7.573 -4.031 1.00 0.00 O ATOM 0 H TYR A 9 9.949 -2.349 -1.564 1.00 0.00 H new ATOM 0 HA TYR A 9 7.119 -2.747 -0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.518 -3.733 0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.898 -4.398 0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.283 -4.739 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.015 -5.297 -0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.972 -6.321 -3.934 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.709 -6.872 -1.955 1.00 0.00 H new ATOM 0 HH TYR A 9 11.174 -7.902 -3.837 1.00 0.00 H new ATOM 104 N PHE A 10 6.965 -1.378 1.195 1.00 0.00 N ATOM 105 CA PHE A 10 6.817 -0.406 2.271 1.00 0.00 C ATOM 106 C PHE A 10 6.111 -1.029 3.473 1.00 0.00 C ATOM 107 O PHE A 10 5.334 -1.972 3.330 1.00 0.00 O ATOM 108 CB PHE A 10 6.033 0.813 1.781 1.00 0.00 C ATOM 109 CG PHE A 10 6.896 1.864 1.143 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.545 1.613 -0.055 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.060 3.102 1.742 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.340 2.577 -0.645 1.00 0.00 C ATOM 113 CE2 PHE A 10 7.853 4.071 1.157 1.00 0.00 C ATOM 114 CZ PHE A 10 8.495 3.808 -0.038 1.00 0.00 C ATOM 0 H PHE A 10 6.114 -1.894 0.973 1.00 0.00 H new ATOM 0 HA PHE A 10 7.813 -0.089 2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.281 0.487 1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.499 1.254 2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.428 0.652 -0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.562 3.313 2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.839 2.368 -1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.971 5.033 1.633 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.116 4.563 -0.496 1.00 0.00 H new ATOM 124 N VAL A 11 6.389 -0.493 4.657 1.00 0.00 N ATOM 125 CA VAL A 11 5.782 -0.995 5.884 1.00 0.00 C ATOM 126 C VAL A 11 4.860 0.048 6.507 1.00 0.00 C ATOM 127 O VAL A 11 5.230 1.212 6.650 1.00 0.00 O ATOM 128 CB VAL A 11 6.852 -1.399 6.916 1.00 0.00 C ATOM 129 CG1 VAL A 11 7.712 -0.202 7.290 1.00 0.00 C ATOM 130 CG2 VAL A 11 6.200 -2.004 8.150 1.00 0.00 C ATOM 0 H VAL A 11 7.030 0.288 4.793 1.00 0.00 H new ATOM 0 HA VAL A 11 5.200 -1.875 5.612 1.00 0.00 H new ATOM 0 HB VAL A 11 7.498 -2.154 6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.462 -0.507 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.208 0.182 6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.083 0.578 7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.970 -2.284 8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.530 -1.273 8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.632 -2.889 7.864 1.00 0.00 H new ATOM 140 N ALA A 12 3.657 -0.380 6.877 1.00 0.00 N ATOM 141 CA ALA A 12 2.682 0.516 7.487 1.00 0.00 C ATOM 142 C ALA A 12 3.045 0.816 8.937 1.00 0.00 C ATOM 143 O ALA A 12 2.778 0.015 9.833 1.00 0.00 O ATOM 144 CB ALA A 12 1.288 -0.087 7.403 1.00 0.00 C ATOM 0 H ALA A 12 3.335 -1.341 6.765 1.00 0.00 H new ATOM 0 HA ALA A 12 2.693 1.456 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.570 0.592 7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.022 -0.244 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.272 -1.042 7.929 1.00 0.00 H new ATOM 150 N LEU A 13 3.655 1.975 9.161 1.00 0.00 N ATOM 151 CA LEU A 13 4.056 2.381 10.504 1.00 0.00 C ATOM 152 C LEU A 13 2.846 2.471 11.429 1.00 0.00 C ATOM 153 O LEU A 13 2.950 2.217 12.629 1.00 0.00 O ATOM 154 CB LEU A 13 4.777 3.729 10.456 1.00 0.00 C ATOM 155 CG LEU A 13 5.992 3.808 9.532 1.00 0.00 C ATOM 156 CD1 LEU A 13 6.258 5.248 9.121 1.00 0.00 C ATOM 157 CD2 LEU A 13 7.217 3.210 10.209 1.00 0.00 C ATOM 0 H LEU A 13 3.883 2.650 8.431 1.00 0.00 H new ATOM 0 HA LEU A 13 4.736 1.626 10.898 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.061 4.491 10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.097 3.983 11.466 1.00 0.00 H new ATOM 0 HG LEU A 13 5.779 3.229 8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.127 5.284 8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.388 5.643 8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.450 5.850 10.009 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.072 3.275 9.537 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.432 3.761 11.124 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.025 2.165 10.452 1.00 0.00 H new ATOM 169 N PHE A 14 1.700 2.831 10.862 1.00 0.00 N ATOM 170 CA PHE A 14 0.470 2.953 11.636 1.00 0.00 C ATOM 171 C PHE A 14 -0.705 2.325 10.892 1.00 0.00 C ATOM 172 O PHE A 14 -0.632 2.079 9.688 1.00 0.00 O ATOM 173 CB PHE A 14 0.172 4.424 11.933 1.00 0.00 C ATOM 174 CG PHE A 14 1.362 5.185 12.444 1.00 0.00 C ATOM 175 CD1 PHE A 14 1.648 5.221 13.800 1.00 0.00 C ATOM 176 CD2 PHE A 14 2.195 5.864 11.570 1.00 0.00 C ATOM 177 CE1 PHE A 14 2.742 5.920 14.274 1.00 0.00 C ATOM 178 CE2 PHE A 14 3.290 6.564 12.038 1.00 0.00 C ATOM 179 CZ PHE A 14 3.564 6.593 13.391 1.00 0.00 C ATOM 0 H PHE A 14 1.597 3.043 9.870 1.00 0.00 H new ATOM 0 HA PHE A 14 0.609 2.421 12.577 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.193 4.903 11.025 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.630 4.483 12.669 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.008 4.697 14.494 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.986 5.846 10.511 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.954 5.940 15.333 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.932 7.089 11.346 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.419 7.141 13.758 1.00 0.00 H new ATOM 189 N ASP A 15 -1.788 2.067 11.618 1.00 0.00 N ATOM 190 CA ASP A 15 -2.979 1.468 11.028 1.00 0.00 C ATOM 191 C ASP A 15 -3.792 2.511 10.268 1.00 0.00 C ATOM 192 O ASP A 15 -3.724 3.704 10.566 1.00 0.00 O ATOM 193 CB ASP A 15 -3.842 0.822 12.113 1.00 0.00 C ATOM 194 CG ASP A 15 -4.293 1.818 13.164 1.00 0.00 C ATOM 195 OD1 ASP A 15 -3.420 2.447 13.798 1.00 0.00 O ATOM 196 OD2 ASP A 15 -5.518 1.969 13.350 1.00 0.00 O ATOM 0 H ASP A 15 -1.865 2.264 12.616 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.659 0.700 10.324 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.717 0.363 11.652 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.278 0.022 12.593 1.00 0.00 H new ATOM 201 N TYR A 16 -4.560 2.054 9.285 1.00 0.00 N ATOM 202 CA TYR A 16 -5.383 2.948 8.480 1.00 0.00 C ATOM 203 C TYR A 16 -6.503 2.179 7.785 1.00 0.00 C ATOM 204 O TYR A 16 -6.253 1.214 7.063 1.00 0.00 O ATOM 205 CB TYR A 16 -4.524 3.669 7.440 1.00 0.00 C ATOM 206 CG TYR A 16 -5.325 4.496 6.461 1.00 0.00 C ATOM 207 CD1 TYR A 16 -5.830 5.739 6.821 1.00 0.00 C ATOM 208 CD2 TYR A 16 -5.577 4.035 5.174 1.00 0.00 C ATOM 209 CE1 TYR A 16 -6.563 6.498 5.930 1.00 0.00 C ATOM 210 CE2 TYR A 16 -6.308 4.788 4.276 1.00 0.00 C ATOM 211 CZ TYR A 16 -6.799 6.019 4.658 1.00 0.00 C ATOM 212 OH TYR A 16 -7.528 6.772 3.767 1.00 0.00 O ATOM 0 H TYR A 16 -4.630 1.070 9.027 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.831 3.686 9.146 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.814 4.317 7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.941 2.931 6.888 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.646 6.119 7.815 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.195 3.071 4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.949 7.462 6.228 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.494 4.415 3.280 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.602 6.291 2.916 1.00 0.00 H new ATOM 222 N GLN A 17 -7.739 2.615 8.010 1.00 0.00 N ATOM 223 CA GLN A 17 -8.898 1.968 7.406 1.00 0.00 C ATOM 224 C GLN A 17 -9.535 2.867 6.352 1.00 0.00 C ATOM 225 O GLN A 17 -10.437 3.649 6.651 1.00 0.00 O ATOM 226 CB GLN A 17 -9.927 1.613 8.481 1.00 0.00 C ATOM 227 CG GLN A 17 -9.726 0.233 9.084 1.00 0.00 C ATOM 228 CD GLN A 17 -10.386 0.087 10.441 1.00 0.00 C ATOM 229 OE1 GLN A 17 -11.560 0.414 10.611 1.00 0.00 O ATOM 230 NE2 GLN A 17 -9.632 -0.407 11.416 1.00 0.00 N ATOM 0 H GLN A 17 -7.963 3.412 8.605 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.560 1.053 6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.881 2.358 9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.926 1.669 8.048 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.130 -0.518 8.405 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.659 0.035 9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.663 -0.665 11.230 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.022 -0.528 12.351 1.00 0.00 H new ATOM 239 N ALA A 18 -9.060 2.750 5.116 1.00 0.00 N ATOM 240 CA ALA A 18 -9.584 3.551 4.017 1.00 0.00 C ATOM 241 C ALA A 18 -11.095 3.720 4.133 1.00 0.00 C ATOM 242 O ALA A 18 -11.831 2.741 4.259 1.00 0.00 O ATOM 243 CB ALA A 18 -9.223 2.916 2.682 1.00 0.00 C ATOM 0 H ALA A 18 -8.313 2.108 4.851 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.129 4.540 4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.621 3.525 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.139 2.853 2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.651 1.915 2.628 1.00 0.00 H new ATOM 249 N ARG A 19 -11.551 4.968 4.091 1.00 0.00 N ATOM 250 CA ARG A 19 -12.975 5.265 4.193 1.00 0.00 C ATOM 251 C ARG A 19 -13.671 5.059 2.851 1.00 0.00 C ATOM 252 O ARG A 19 -14.737 4.445 2.779 1.00 0.00 O ATOM 253 CB ARG A 19 -13.184 6.702 4.673 1.00 0.00 C ATOM 254 CG ARG A 19 -12.556 6.990 6.027 1.00 0.00 C ATOM 255 CD ARG A 19 -13.153 8.234 6.665 1.00 0.00 C ATOM 256 NE ARG A 19 -14.576 8.074 6.951 1.00 0.00 N ATOM 257 CZ ARG A 19 -15.244 8.838 7.807 1.00 0.00 C ATOM 258 NH1 ARG A 19 -14.622 9.812 8.457 1.00 0.00 N ATOM 259 NH2 ARG A 19 -16.538 8.630 8.014 1.00 0.00 N ATOM 0 H ARG A 19 -10.955 5.789 3.987 1.00 0.00 H new ATOM 0 HA ARG A 19 -13.413 4.579 4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.766 7.387 3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.253 6.906 4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -12.703 6.135 6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.480 7.120 5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.621 8.458 7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -13.011 9.086 6.000 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.085 7.335 6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.628 9.976 8.300 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.138 10.397 9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -17.021 7.882 7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.050 9.218 8.672 1.00 0.00 H new ATOM 273 N THR A 20 -13.062 5.576 1.789 1.00 0.00 N ATOM 274 CA THR A 20 -13.624 5.451 0.450 1.00 0.00 C ATOM 275 C THR A 20 -13.144 4.174 -0.230 1.00 0.00 C ATOM 276 O THR A 20 -11.981 3.791 -0.105 1.00 0.00 O ATOM 277 CB THR A 20 -13.252 6.659 -0.431 1.00 0.00 C ATOM 278 OG1 THR A 20 -11.828 6.754 -0.555 1.00 0.00 O ATOM 279 CG2 THR A 20 -13.802 7.948 0.159 1.00 0.00 C ATOM 0 H THR A 20 -12.179 6.085 1.830 1.00 0.00 H new ATOM 0 HA THR A 20 -14.707 5.414 0.564 1.00 0.00 H new ATOM 0 HB THR A 20 -13.693 6.512 -1.417 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.599 7.523 -1.118 1.00 0.00 H new ATOM 0 HG21 THR A 20 -13.527 8.787 -0.480 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.888 7.883 0.225 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.386 8.099 1.155 1.00 0.00 H new ATOM 287 N ALA A 21 -14.048 3.518 -0.951 1.00 0.00 N ATOM 288 CA ALA A 21 -13.716 2.284 -1.654 1.00 0.00 C ATOM 289 C ALA A 21 -12.483 2.468 -2.532 1.00 0.00 C ATOM 290 O ALA A 21 -11.714 1.530 -2.742 1.00 0.00 O ATOM 291 CB ALA A 21 -14.898 1.819 -2.491 1.00 0.00 C ATOM 0 H ALA A 21 -15.016 3.820 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.490 1.520 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.636 0.897 -3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.755 1.639 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.151 2.587 -3.222 1.00 0.00 H new ATOM 297 N GLU A 22 -12.301 3.681 -3.043 1.00 0.00 N ATOM 298 CA GLU A 22 -11.161 3.986 -3.900 1.00 0.00 C ATOM 299 C GLU A 22 -9.847 3.729 -3.169 1.00 0.00 C ATOM 300 O GLU A 22 -8.934 3.106 -3.711 1.00 0.00 O ATOM 301 CB GLU A 22 -11.221 5.441 -4.369 1.00 0.00 C ATOM 302 CG GLU A 22 -11.996 5.633 -5.661 1.00 0.00 C ATOM 303 CD GLU A 22 -11.560 6.869 -6.425 1.00 0.00 C ATOM 304 OE1 GLU A 22 -10.338 7.063 -6.590 1.00 0.00 O ATOM 305 OE2 GLU A 22 -12.441 7.641 -6.857 1.00 0.00 O ATOM 0 H GLU A 22 -12.928 4.469 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.207 3.330 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.679 6.047 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.205 5.812 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.865 4.755 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.060 5.707 -5.435 1.00 0.00 H new ATOM 312 N ASP A 23 -9.758 4.215 -1.936 1.00 0.00 N ATOM 313 CA ASP A 23 -8.556 4.039 -1.129 1.00 0.00 C ATOM 314 C ASP A 23 -8.477 2.620 -0.575 1.00 0.00 C ATOM 315 O ASP A 23 -9.493 1.938 -0.436 1.00 0.00 O ATOM 316 CB ASP A 23 -8.534 5.049 0.019 1.00 0.00 C ATOM 317 CG ASP A 23 -8.227 6.457 -0.454 1.00 0.00 C ATOM 318 OD1 ASP A 23 -8.525 6.767 -1.627 1.00 0.00 O ATOM 319 OD2 ASP A 23 -7.688 7.248 0.348 1.00 0.00 O ATOM 0 H ASP A 23 -10.504 4.734 -1.473 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.690 4.209 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.500 5.041 0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.788 4.744 0.753 1.00 0.00 H new ATOM 324 N LEU A 24 -7.263 2.179 -0.263 1.00 0.00 N ATOM 325 CA LEU A 24 -7.050 0.840 0.275 1.00 0.00 C ATOM 326 C LEU A 24 -6.901 0.880 1.792 1.00 0.00 C ATOM 327 O LEU A 24 -6.521 1.903 2.362 1.00 0.00 O ATOM 328 CB LEU A 24 -5.807 0.208 -0.355 1.00 0.00 C ATOM 329 CG LEU A 24 -5.601 -1.283 -0.082 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.449 -2.120 -1.027 1.00 0.00 C ATOM 331 CD2 LEU A 24 -4.131 -1.651 -0.215 1.00 0.00 C ATOM 0 H LEU A 24 -6.411 2.729 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.922 0.234 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.856 0.356 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.929 0.747 0.002 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.917 -1.493 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.290 -3.178 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.502 -1.876 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.164 -1.906 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.003 -2.715 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.790 -1.426 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.546 -1.076 0.502 1.00 0.00 H new ATOM 343 N SER A 25 -7.201 -0.241 2.441 1.00 0.00 N ATOM 344 CA SER A 25 -7.102 -0.334 3.893 1.00 0.00 C ATOM 345 C SER A 25 -5.920 -1.208 4.302 1.00 0.00 C ATOM 346 O SER A 25 -5.488 -2.080 3.548 1.00 0.00 O ATOM 347 CB SER A 25 -8.397 -0.900 4.478 1.00 0.00 C ATOM 348 OG SER A 25 -9.522 -0.489 3.721 1.00 0.00 O ATOM 0 H SER A 25 -7.515 -1.097 1.984 1.00 0.00 H new ATOM 0 HA SER A 25 -6.942 0.670 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.346 -1.989 4.497 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.509 -0.568 5.510 1.00 0.00 H new ATOM 0 HG SER A 25 -10.343 -0.729 4.199 1.00 0.00 H new ATOM 354 N PHE A 26 -5.403 -0.969 5.502 1.00 0.00 N ATOM 355 CA PHE A 26 -4.270 -1.733 6.013 1.00 0.00 C ATOM 356 C PHE A 26 -4.034 -1.434 7.490 1.00 0.00 C ATOM 357 O PHE A 26 -4.581 -0.475 8.035 1.00 0.00 O ATOM 358 CB PHE A 26 -3.008 -1.414 5.208 1.00 0.00 C ATOM 359 CG PHE A 26 -2.573 0.019 5.319 1.00 0.00 C ATOM 360 CD1 PHE A 26 -1.803 0.443 6.390 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.934 0.943 4.351 1.00 0.00 C ATOM 362 CE1 PHE A 26 -1.402 1.761 6.494 1.00 0.00 C ATOM 363 CE2 PHE A 26 -2.536 2.263 4.449 1.00 0.00 C ATOM 364 CZ PHE A 26 -1.768 2.672 5.522 1.00 0.00 C ATOM 0 H PHE A 26 -5.750 -0.252 6.139 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.501 -2.793 5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.197 -2.059 5.547 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.186 -1.651 4.159 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.513 -0.265 7.152 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.534 0.628 3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.803 2.079 7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.825 2.973 3.688 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.454 3.702 5.601 1.00 0.00 H new ATOM 374 N ARG A 27 -3.217 -2.262 8.132 1.00 0.00 N ATOM 375 CA ARG A 27 -2.910 -2.088 9.547 1.00 0.00 C ATOM 376 C ARG A 27 -1.408 -1.922 9.760 1.00 0.00 C ATOM 377 O ARG A 27 -0.618 -2.075 8.829 1.00 0.00 O ATOM 378 CB ARG A 27 -3.421 -3.284 10.353 1.00 0.00 C ATOM 379 CG ARG A 27 -4.917 -3.517 10.213 1.00 0.00 C ATOM 380 CD ARG A 27 -5.475 -4.276 11.406 1.00 0.00 C ATOM 381 NE ARG A 27 -5.083 -5.683 11.392 1.00 0.00 N ATOM 382 CZ ARG A 27 -5.332 -6.525 12.389 1.00 0.00 C ATOM 383 NH1 ARG A 27 -5.969 -6.105 13.473 1.00 0.00 N ATOM 384 NH2 ARG A 27 -4.943 -7.791 12.302 1.00 0.00 N ATOM 0 H ARG A 27 -2.756 -3.060 7.695 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.412 -1.184 9.894 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.890 -4.181 10.033 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.182 -3.131 11.405 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.428 -2.559 10.118 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.115 -4.077 9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.124 -3.811 12.327 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.563 -4.203 11.406 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.591 -6.038 10.572 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.270 -5.133 13.543 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.159 -6.754 14.237 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.453 -8.118 11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.134 -8.437 13.068 1.00 0.00 H new ATOM 398 N ALA A 28 -1.022 -1.608 10.993 1.00 0.00 N ATOM 399 CA ALA A 28 0.384 -1.423 11.329 1.00 0.00 C ATOM 400 C ALA A 28 1.171 -2.714 11.129 1.00 0.00 C ATOM 401 O ALA A 28 0.902 -3.723 11.779 1.00 0.00 O ATOM 402 CB ALA A 28 0.524 -0.934 12.763 1.00 0.00 C ATOM 0 H ALA A 28 -1.664 -1.477 11.775 1.00 0.00 H new ATOM 0 HA ALA A 28 0.796 -0.670 10.658 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.579 -0.800 13.000 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.003 0.017 12.876 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.090 -1.668 13.442 1.00 0.00 H new ATOM 408 N GLY A 29 2.145 -2.675 10.225 1.00 0.00 N ATOM 409 CA GLY A 29 2.955 -3.848 9.956 1.00 0.00 C ATOM 410 C GLY A 29 2.660 -4.458 8.600 1.00 0.00 C ATOM 411 O GLY A 29 3.571 -4.887 7.892 1.00 0.00 O ATOM 0 H GLY A 29 2.387 -1.852 9.674 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.010 -3.577 10.007 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.779 -4.593 10.732 1.00 0.00 H new ATOM 415 N ASP A 30 1.382 -4.499 8.237 1.00 0.00 N ATOM 416 CA ASP A 30 0.968 -5.061 6.957 1.00 0.00 C ATOM 417 C ASP A 30 2.005 -4.773 5.876 1.00 0.00 C ATOM 418 O ASP A 30 2.530 -3.663 5.784 1.00 0.00 O ATOM 419 CB ASP A 30 -0.390 -4.495 6.542 1.00 0.00 C ATOM 420 CG ASP A 30 -1.183 -5.461 5.684 1.00 0.00 C ATOM 421 OD1 ASP A 30 -1.734 -6.434 6.240 1.00 0.00 O ATOM 422 OD2 ASP A 30 -1.251 -5.246 4.455 1.00 0.00 O ATOM 0 H ASP A 30 0.615 -4.150 8.812 1.00 0.00 H new ATOM 0 HA ASP A 30 0.882 -6.141 7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.966 -4.249 7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.240 -3.565 5.993 1.00 0.00 H new ATOM 427 N LYS A 31 2.297 -5.780 5.059 1.00 0.00 N ATOM 428 CA LYS A 31 3.271 -5.636 3.984 1.00 0.00 C ATOM 429 C LYS A 31 2.601 -5.144 2.705 1.00 0.00 C ATOM 430 O LYS A 31 1.813 -5.863 2.089 1.00 0.00 O ATOM 431 CB LYS A 31 3.975 -6.969 3.723 1.00 0.00 C ATOM 432 CG LYS A 31 4.810 -7.456 4.895 1.00 0.00 C ATOM 433 CD LYS A 31 6.183 -6.804 4.910 1.00 0.00 C ATOM 434 CE LYS A 31 6.983 -7.218 6.135 1.00 0.00 C ATOM 435 NZ LYS A 31 7.251 -8.682 6.154 1.00 0.00 N ATOM 0 H LYS A 31 1.872 -6.705 5.121 1.00 0.00 H new ATOM 0 HA LYS A 31 4.010 -4.897 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.227 -7.724 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.617 -6.866 2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.292 -7.237 5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.921 -8.539 4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.728 -7.081 4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.072 -5.720 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.928 -6.676 6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.438 -6.937 7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.923 -8.902 6.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.362 -9.196 6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.656 -8.973 5.241 1.00 0.00 H new ATOM 449 N LEU A 32 2.919 -3.916 2.311 1.00 0.00 N ATOM 450 CA LEU A 32 2.348 -3.328 1.103 1.00 0.00 C ATOM 451 C LEU A 32 3.445 -2.932 0.120 1.00 0.00 C ATOM 452 O LEU A 32 4.458 -2.351 0.507 1.00 0.00 O ATOM 453 CB LEU A 32 1.501 -2.105 1.459 1.00 0.00 C ATOM 454 CG LEU A 32 0.408 -2.327 2.506 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.051 -1.017 3.190 1.00 0.00 C ATOM 456 CD2 LEU A 32 -0.824 -2.951 1.867 1.00 0.00 C ATOM 0 H LEU A 32 3.569 -3.308 2.810 1.00 0.00 H new ATOM 0 HA LEU A 32 1.713 -4.077 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.166 -1.319 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.033 -1.734 0.547 1.00 0.00 H new ATOM 0 HG LEU A 32 0.789 -3.015 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.728 -1.194 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.935 -0.611 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.310 -0.305 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.591 -3.102 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.207 -2.288 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.558 -3.911 1.425 1.00 0.00 H new ATOM 468 N GLN A 33 3.233 -3.250 -1.153 1.00 0.00 N ATOM 469 CA GLN A 33 4.204 -2.926 -2.192 1.00 0.00 C ATOM 470 C GLN A 33 3.747 -1.720 -3.007 1.00 0.00 C ATOM 471 O GLN A 33 2.691 -1.749 -3.640 1.00 0.00 O ATOM 472 CB GLN A 33 4.417 -4.128 -3.114 1.00 0.00 C ATOM 473 CG GLN A 33 5.391 -3.859 -4.250 1.00 0.00 C ATOM 474 CD GLN A 33 5.361 -4.939 -5.312 1.00 0.00 C ATOM 475 OE1 GLN A 33 5.076 -6.102 -5.024 1.00 0.00 O ATOM 476 NE2 GLN A 33 5.655 -4.561 -6.551 1.00 0.00 N ATOM 0 H GLN A 33 2.399 -3.731 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 33 5.148 -2.678 -1.707 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.784 -4.968 -2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.457 -4.428 -3.533 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.154 -2.898 -4.707 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.401 -3.779 -3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.886 -3.587 -6.746 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.650 -5.245 -7.308 1.00 0.00 H new ATOM 485 N VAL A 34 4.548 -0.660 -2.987 1.00 0.00 N ATOM 486 CA VAL A 34 4.227 0.556 -3.724 1.00 0.00 C ATOM 487 C VAL A 34 4.381 0.345 -5.226 1.00 0.00 C ATOM 488 O VAL A 34 5.466 0.022 -5.711 1.00 0.00 O ATOM 489 CB VAL A 34 5.122 1.731 -3.287 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.966 2.905 -4.242 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.796 2.146 -1.861 1.00 0.00 C ATOM 0 H VAL A 34 5.425 -0.619 -2.468 1.00 0.00 H new ATOM 0 HA VAL A 34 3.188 0.797 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 34 6.162 1.405 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.606 3.726 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.253 2.597 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.927 3.235 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.437 2.977 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.752 2.455 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.964 1.304 -1.190 1.00 0.00 H new ATOM 501 N LEU A 35 3.288 0.530 -5.959 1.00 0.00 N ATOM 502 CA LEU A 35 3.301 0.361 -7.408 1.00 0.00 C ATOM 503 C LEU A 35 3.406 1.709 -8.113 1.00 0.00 C ATOM 504 O LEU A 35 4.253 1.901 -8.986 1.00 0.00 O ATOM 505 CB LEU A 35 2.039 -0.371 -7.867 1.00 0.00 C ATOM 506 CG LEU A 35 1.683 -1.643 -7.097 1.00 0.00 C ATOM 507 CD1 LEU A 35 0.210 -1.978 -7.271 1.00 0.00 C ATOM 508 CD2 LEU A 35 2.554 -2.805 -7.554 1.00 0.00 C ATOM 0 H LEU A 35 2.382 0.797 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 35 4.175 -0.234 -7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.198 0.319 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.155 -0.628 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 35 1.872 -1.468 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.025 -2.886 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.397 -1.155 -6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.005 -2.133 -8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.287 -3.702 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.397 -2.980 -8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.602 -2.566 -7.376 1.00 0.00 H new ATOM 520 N ASP A 36 2.541 2.641 -7.727 1.00 0.00 N ATOM 521 CA ASP A 36 2.538 3.974 -8.319 1.00 0.00 C ATOM 522 C ASP A 36 3.024 5.016 -7.316 1.00 0.00 C ATOM 523 O ASP A 36 2.610 5.018 -6.157 1.00 0.00 O ATOM 524 CB ASP A 36 1.135 4.334 -8.809 1.00 0.00 C ATOM 525 CG ASP A 36 1.155 5.384 -9.902 1.00 0.00 C ATOM 526 OD1 ASP A 36 1.669 5.087 -11.001 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.656 6.503 -9.659 1.00 0.00 O ATOM 0 H ASP A 36 1.833 2.498 -7.007 1.00 0.00 H new ATOM 0 HA ASP A 36 3.221 3.969 -9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.642 3.436 -9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.543 4.699 -7.970 1.00 0.00 H new ATOM 532 N THR A 37 3.906 5.901 -7.770 1.00 0.00 N ATOM 533 CA THR A 37 4.450 6.946 -6.913 1.00 0.00 C ATOM 534 C THR A 37 4.305 8.319 -7.560 1.00 0.00 C ATOM 535 O THR A 37 5.135 9.204 -7.354 1.00 0.00 O ATOM 536 CB THR A 37 5.936 6.696 -6.595 1.00 0.00 C ATOM 537 OG1 THR A 37 6.689 6.611 -7.810 1.00 0.00 O ATOM 538 CG2 THR A 37 6.109 5.414 -5.795 1.00 0.00 C ATOM 0 H THR A 37 4.259 5.914 -8.727 1.00 0.00 H new ATOM 0 HA THR A 37 3.879 6.922 -5.985 1.00 0.00 H new ATOM 0 HB THR A 37 6.303 7.531 -5.998 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.633 6.454 -7.599 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.167 5.258 -5.582 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.558 5.493 -4.858 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.727 4.571 -6.371 1.00 0.00 H new ATOM 546 N SER A 38 3.244 8.490 -8.343 1.00 0.00 N ATOM 547 CA SER A 38 2.992 9.755 -9.023 1.00 0.00 C ATOM 548 C SER A 38 2.175 10.693 -8.140 1.00 0.00 C ATOM 549 O SER A 38 2.660 11.741 -7.712 1.00 0.00 O ATOM 550 CB SER A 38 2.258 9.511 -10.343 1.00 0.00 C ATOM 551 OG SER A 38 3.077 8.806 -11.259 1.00 0.00 O ATOM 0 H SER A 38 2.546 7.768 -8.522 1.00 0.00 H new ATOM 0 HA SER A 38 3.953 10.225 -9.231 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.345 8.945 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.958 10.465 -10.778 1.00 0.00 H new ATOM 0 HG SER A 38 2.584 8.661 -12.094 1.00 0.00 H new ATOM 557 N HIS A 39 0.932 10.309 -7.870 1.00 0.00 N ATOM 558 CA HIS A 39 0.046 11.115 -7.037 1.00 0.00 C ATOM 559 C HIS A 39 0.643 11.319 -5.648 1.00 0.00 C ATOM 560 O HIS A 39 0.264 10.641 -4.694 1.00 0.00 O ATOM 561 CB HIS A 39 -1.326 10.450 -6.922 1.00 0.00 C ATOM 562 CG HIS A 39 -2.449 11.423 -6.734 1.00 0.00 C ATOM 563 ND1 HIS A 39 -3.526 11.178 -5.909 1.00 0.00 N ATOM 564 CD2 HIS A 39 -2.657 12.649 -7.268 1.00 0.00 C ATOM 565 CE1 HIS A 39 -4.350 12.211 -5.945 1.00 0.00 C ATOM 566 NE2 HIS A 39 -3.845 13.117 -6.762 1.00 0.00 N ATOM 0 H HIS A 39 0.515 9.445 -8.216 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.070 12.090 -7.511 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.512 9.862 -7.821 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.314 9.754 -6.083 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.010 13.163 -7.963 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.278 12.299 -5.399 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.269 14.018 -6.982 1.00 0.00 H new ATOM 575 N GLU A 40 1.580 12.256 -5.543 1.00 0.00 N ATOM 576 CA GLU A 40 2.230 12.547 -4.271 1.00 0.00 C ATOM 577 C GLU A 40 1.239 12.434 -3.115 1.00 0.00 C ATOM 578 O GLU A 40 0.087 12.851 -3.228 1.00 0.00 O ATOM 579 CB GLU A 40 2.845 13.948 -4.295 1.00 0.00 C ATOM 580 CG GLU A 40 1.839 15.049 -4.589 1.00 0.00 C ATOM 581 CD GLU A 40 1.703 15.334 -6.072 1.00 0.00 C ATOM 582 OE1 GLU A 40 2.093 14.467 -6.881 1.00 0.00 O ATOM 583 OE2 GLU A 40 1.205 16.424 -6.422 1.00 0.00 O ATOM 0 H GLU A 40 1.906 12.826 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 40 3.022 11.813 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.316 14.145 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.633 13.977 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.867 14.764 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.143 15.960 -4.074 1.00 0.00 H new ATOM 590 N GLY A 41 1.698 11.867 -2.004 1.00 0.00 N ATOM 591 CA GLY A 41 0.840 11.708 -0.844 1.00 0.00 C ATOM 592 C GLY A 41 -0.020 10.462 -0.924 1.00 0.00 C ATOM 593 O GLY A 41 -0.352 9.862 0.098 1.00 0.00 O ATOM 0 H GLY A 41 2.648 11.515 -1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.455 11.664 0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.198 12.583 -0.749 1.00 0.00 H new ATOM 597 N TRP A 42 -0.382 10.074 -2.141 1.00 0.00 N ATOM 598 CA TRP A 42 -1.211 8.892 -2.351 1.00 0.00 C ATOM 599 C TRP A 42 -0.568 7.949 -3.362 1.00 0.00 C ATOM 600 O TRP A 42 -0.519 8.244 -4.556 1.00 0.00 O ATOM 601 CB TRP A 42 -2.605 9.300 -2.830 1.00 0.00 C ATOM 602 CG TRP A 42 -3.407 10.013 -1.785 1.00 0.00 C ATOM 603 CD1 TRP A 42 -3.617 11.359 -1.690 1.00 0.00 C ATOM 604 CD2 TRP A 42 -4.105 9.418 -0.686 1.00 0.00 C ATOM 605 NE1 TRP A 42 -4.403 11.637 -0.597 1.00 0.00 N ATOM 606 CE2 TRP A 42 -4.716 10.462 0.035 1.00 0.00 C ATOM 607 CE3 TRP A 42 -4.275 8.104 -0.241 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -5.482 10.232 1.174 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -5.035 7.876 0.890 1.00 0.00 C ATOM 610 CH2 TRP A 42 -5.632 8.936 1.587 1.00 0.00 C ATOM 0 H TRP A 42 -0.115 10.560 -2.997 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.301 8.368 -1.400 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.507 9.944 -3.704 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.147 8.410 -3.149 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.223 12.097 -2.373 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -4.704 12.566 -0.304 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.820 7.281 -0.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -5.942 11.047 1.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.172 6.865 1.243 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.222 8.726 2.467 1.00 0.00 H new ATOM 621 N TRP A 43 -0.076 6.815 -2.877 1.00 0.00 N ATOM 622 CA TRP A 43 0.564 5.828 -3.739 1.00 0.00 C ATOM 623 C TRP A 43 -0.330 4.608 -3.928 1.00 0.00 C ATOM 624 O TRP A 43 -1.110 4.255 -3.043 1.00 0.00 O ATOM 625 CB TRP A 43 1.911 5.403 -3.151 1.00 0.00 C ATOM 626 CG TRP A 43 2.911 6.517 -3.089 1.00 0.00 C ATOM 627 CD1 TRP A 43 2.925 7.649 -3.853 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.043 6.605 -2.217 1.00 0.00 C ATOM 629 NE1 TRP A 43 3.998 8.436 -3.509 1.00 0.00 N ATOM 630 CE2 TRP A 43 4.699 7.818 -2.507 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.565 5.779 -1.219 1.00 0.00 C ATOM 632 CZ2 TRP A 43 5.849 8.221 -1.834 1.00 0.00 C ATOM 633 CZ3 TRP A 43 5.707 6.180 -0.552 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.339 7.392 -0.862 1.00 0.00 C ATOM 0 H TRP A 43 -0.108 6.556 -1.891 1.00 0.00 H new ATOM 0 HA TRP A 43 0.730 6.287 -4.713 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.753 5.010 -2.147 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.321 4.590 -3.750 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.199 7.890 -4.616 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.234 9.334 -3.931 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.085 4.844 -0.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.337 9.155 -2.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.119 5.549 0.221 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.230 7.677 -0.323 1.00 0.00 H new ATOM 645 N LEU A 44 -0.213 3.968 -5.086 1.00 0.00 N ATOM 646 CA LEU A 44 -1.012 2.785 -5.391 1.00 0.00 C ATOM 647 C LEU A 44 -0.245 1.510 -5.057 1.00 0.00 C ATOM 648 O LEU A 44 0.659 1.107 -5.789 1.00 0.00 O ATOM 649 CB LEU A 44 -1.411 2.782 -6.868 1.00 0.00 C ATOM 650 CG LEU A 44 -2.014 1.481 -7.397 1.00 0.00 C ATOM 651 CD1 LEU A 44 -3.471 1.358 -6.980 1.00 0.00 C ATOM 652 CD2 LEU A 44 -1.882 1.410 -8.912 1.00 0.00 C ATOM 0 H LEU A 44 0.427 4.248 -5.829 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.913 2.817 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.130 3.585 -7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.529 3.018 -7.463 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.463 0.646 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.882 0.425 -7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.540 1.362 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.037 2.198 -7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.316 0.477 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.407 2.252 -9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.828 1.449 -9.188 1.00 0.00 H new ATOM 664 N ALA A 45 -0.615 0.876 -3.948 1.00 0.00 N ATOM 665 CA ALA A 45 0.035 -0.356 -3.520 1.00 0.00 C ATOM 666 C ALA A 45 -0.940 -1.529 -3.548 1.00 0.00 C ATOM 667 O ALA A 45 -2.153 -1.338 -3.638 1.00 0.00 O ATOM 668 CB ALA A 45 0.620 -0.187 -2.126 1.00 0.00 C ATOM 0 H ALA A 45 -1.361 1.196 -3.331 1.00 0.00 H new ATOM 0 HA ALA A 45 0.844 -0.573 -4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.102 -1.115 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.355 0.618 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.177 0.057 -1.424 1.00 0.00 H new ATOM 674 N ARG A 46 -0.402 -2.741 -3.470 1.00 0.00 N ATOM 675 CA ARG A 46 -1.224 -3.945 -3.489 1.00 0.00 C ATOM 676 C ARG A 46 -0.954 -4.807 -2.259 1.00 0.00 C ATOM 677 O ARG A 46 0.167 -4.846 -1.749 1.00 0.00 O ATOM 678 CB ARG A 46 -0.957 -4.752 -4.760 1.00 0.00 C ATOM 679 CG ARG A 46 0.416 -5.404 -4.790 1.00 0.00 C ATOM 680 CD ARG A 46 0.766 -5.903 -6.183 1.00 0.00 C ATOM 681 NE ARG A 46 0.247 -7.245 -6.430 1.00 0.00 N ATOM 682 CZ ARG A 46 0.161 -7.789 -7.640 1.00 0.00 C ATOM 683 NH1 ARG A 46 0.557 -7.108 -8.706 1.00 0.00 N ATOM 684 NH2 ARG A 46 -0.323 -9.016 -7.784 1.00 0.00 N ATOM 0 H ARG A 46 0.600 -2.916 -3.393 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.270 -3.640 -3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.719 -5.525 -4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.057 -4.096 -5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.168 -4.687 -4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.440 -6.237 -4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.362 -5.216 -6.926 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.849 -5.905 -6.306 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.067 -7.795 -5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.929 -6.164 -8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.490 -7.528 -9.633 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.629 -9.543 -6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.389 -9.433 -8.713 1.00 0.00 H new ATOM 698 N HIS A 47 -1.987 -5.498 -1.788 1.00 0.00 N ATOM 699 CA HIS A 47 -1.861 -6.360 -0.618 1.00 0.00 C ATOM 700 C HIS A 47 -1.025 -7.595 -0.941 1.00 0.00 C ATOM 701 O HIS A 47 -1.408 -8.416 -1.775 1.00 0.00 O ATOM 702 CB HIS A 47 -3.243 -6.782 -0.118 1.00 0.00 C ATOM 703 CG HIS A 47 -3.830 -5.839 0.887 1.00 0.00 C ATOM 704 ND1 HIS A 47 -3.412 -5.782 2.199 1.00 0.00 N ATOM 705 CD2 HIS A 47 -4.807 -4.910 0.763 1.00 0.00 C ATOM 706 CE1 HIS A 47 -4.109 -4.860 2.841 1.00 0.00 C ATOM 707 NE2 HIS A 47 -4.962 -4.316 1.992 1.00 0.00 N ATOM 0 H HIS A 47 -2.921 -5.478 -2.198 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.356 -5.796 0.166 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.920 -6.861 -0.969 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.172 -7.775 0.326 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.361 -4.679 -0.135 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.999 -4.596 3.883 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.628 -3.575 2.213 1.00 0.00 H new ATOM 716 N LEU A 48 0.119 -7.719 -0.277 1.00 0.00 N ATOM 717 CA LEU A 48 1.010 -8.853 -0.494 1.00 0.00 C ATOM 718 C LEU A 48 0.613 -10.034 0.387 1.00 0.00 C ATOM 719 O LEU A 48 0.605 -11.179 -0.061 1.00 0.00 O ATOM 720 CB LEU A 48 2.458 -8.452 -0.206 1.00 0.00 C ATOM 721 CG LEU A 48 2.962 -7.199 -0.924 1.00 0.00 C ATOM 722 CD1 LEU A 48 4.244 -6.694 -0.280 1.00 0.00 C ATOM 723 CD2 LEU A 48 3.183 -7.485 -2.402 1.00 0.00 C ATOM 0 H LEU A 48 0.451 -7.048 0.416 1.00 0.00 H new ATOM 0 HA LEU A 48 0.924 -9.156 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.565 -8.299 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.106 -9.286 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 48 2.203 -6.421 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.588 -5.802 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.054 -6.450 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.010 -7.467 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.541 -6.583 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.923 -8.278 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.243 -7.799 -2.856 1.00 0.00 H new ATOM 735 N GLU A 49 0.284 -9.744 1.642 1.00 0.00 N ATOM 736 CA GLU A 49 -0.116 -10.782 2.585 1.00 0.00 C ATOM 737 C GLU A 49 -1.254 -11.625 2.017 1.00 0.00 C ATOM 738 O GLU A 49 -2.130 -11.116 1.318 1.00 0.00 O ATOM 739 CB GLU A 49 -0.544 -10.158 3.915 1.00 0.00 C ATOM 740 CG GLU A 49 0.622 -9.738 4.794 1.00 0.00 C ATOM 741 CD GLU A 49 1.278 -10.913 5.493 1.00 0.00 C ATOM 742 OE1 GLU A 49 0.767 -11.336 6.551 1.00 0.00 O ATOM 743 OE2 GLU A 49 2.303 -11.410 4.980 1.00 0.00 O ATOM 0 H GLU A 49 0.287 -8.800 2.029 1.00 0.00 H new ATOM 0 HA GLU A 49 0.743 -11.431 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.168 -9.287 3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.160 -10.873 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.364 -9.222 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.271 -9.025 5.541 1.00 0.00 H new ATOM 750 N LYS A 50 -1.233 -12.918 2.322 1.00 0.00 N ATOM 751 CA LYS A 50 -2.262 -13.834 1.843 1.00 0.00 C ATOM 752 C LYS A 50 -3.362 -14.009 2.885 1.00 0.00 C ATOM 753 O LYS A 50 -3.839 -15.120 3.119 1.00 0.00 O ATOM 754 CB LYS A 50 -1.647 -15.193 1.502 1.00 0.00 C ATOM 755 CG LYS A 50 -0.732 -15.160 0.290 1.00 0.00 C ATOM 756 CD LYS A 50 -0.245 -16.551 -0.079 1.00 0.00 C ATOM 757 CE LYS A 50 1.017 -16.920 0.685 1.00 0.00 C ATOM 758 NZ LYS A 50 2.158 -16.030 0.336 1.00 0.00 N ATOM 0 H LYS A 50 -0.515 -13.356 2.899 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.703 -13.406 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.083 -15.553 2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.448 -15.910 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.263 -14.723 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.123 -14.517 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.027 -17.280 0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.050 -16.597 -1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.824 -16.859 1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.284 -17.954 0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.953 -16.604 -0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.864 -15.363 -0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.456 -15.500 1.180 1.00 0.00 H new ATOM 772 N LYS A 51 -3.762 -12.906 3.508 1.00 0.00 N ATOM 773 CA LYS A 51 -4.808 -12.936 4.524 1.00 0.00 C ATOM 774 C LYS A 51 -6.174 -12.657 3.906 1.00 0.00 C ATOM 775 O LYS A 51 -7.111 -13.437 4.069 1.00 0.00 O ATOM 776 CB LYS A 51 -4.512 -11.910 5.620 1.00 0.00 C ATOM 777 CG LYS A 51 -3.547 -12.413 6.680 1.00 0.00 C ATOM 778 CD LYS A 51 -4.275 -13.141 7.797 1.00 0.00 C ATOM 779 CE LYS A 51 -5.020 -12.171 8.701 1.00 0.00 C ATOM 780 NZ LYS A 51 -4.168 -11.696 9.827 1.00 0.00 N ATOM 0 H LYS A 51 -3.377 -11.979 3.327 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.825 -13.933 4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.099 -11.011 5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.448 -11.623 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.819 -13.083 6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.990 -11.573 7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.979 -13.855 7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.559 -13.713 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.358 -11.316 8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.911 -12.657 9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.712 -11.037 10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.866 -12.509 10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.331 -11.210 9.448 1.00 0.00 H new ATOM 794 N GLY A 52 -6.280 -11.538 3.195 1.00 0.00 N ATOM 795 CA GLY A 52 -7.535 -11.177 2.563 1.00 0.00 C ATOM 796 C GLY A 52 -8.266 -10.080 3.310 1.00 0.00 C ATOM 797 O GLY A 52 -9.305 -10.322 3.926 1.00 0.00 O ATOM 0 H GLY A 52 -5.519 -10.876 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.343 -10.850 1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.174 -12.058 2.501 1.00 0.00 H new ATOM 801 N THR A 53 -7.723 -8.867 3.259 1.00 0.00 N ATOM 802 CA THR A 53 -8.328 -7.729 3.939 1.00 0.00 C ATOM 803 C THR A 53 -8.537 -6.563 2.980 1.00 0.00 C ATOM 804 O THR A 53 -8.041 -6.576 1.854 1.00 0.00 O ATOM 805 CB THR A 53 -7.463 -7.257 5.123 1.00 0.00 C ATOM 806 OG1 THR A 53 -6.127 -6.996 4.680 1.00 0.00 O ATOM 807 CG2 THR A 53 -7.442 -8.303 6.228 1.00 0.00 C ATOM 0 H THR A 53 -6.865 -8.648 2.753 1.00 0.00 H new ATOM 0 HA THR A 53 -9.295 -8.063 4.316 1.00 0.00 H new ATOM 0 HB THR A 53 -7.899 -6.340 5.521 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.584 -6.695 5.438 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.825 -7.948 7.053 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.458 -8.478 6.583 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.028 -9.234 5.840 1.00 0.00 H new ATOM 815 N GLY A 54 -9.274 -5.554 3.434 1.00 0.00 N ATOM 816 CA GLY A 54 -9.534 -4.393 2.603 1.00 0.00 C ATOM 817 C GLY A 54 -11.000 -4.255 2.243 1.00 0.00 C ATOM 818 O GLY A 54 -11.566 -5.119 1.572 1.00 0.00 O ATOM 0 H GLY A 54 -9.696 -5.520 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.205 -3.495 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.944 -4.464 1.689 1.00 0.00 H new ATOM 822 N LEU A 55 -11.618 -3.167 2.690 1.00 0.00 N ATOM 823 CA LEU A 55 -13.028 -2.919 2.412 1.00 0.00 C ATOM 824 C LEU A 55 -13.370 -3.278 0.969 1.00 0.00 C ATOM 825 O LEU A 55 -12.751 -2.778 0.031 1.00 0.00 O ATOM 826 CB LEU A 55 -13.371 -1.453 2.680 1.00 0.00 C ATOM 827 CG LEU A 55 -13.605 -1.075 4.143 1.00 0.00 C ATOM 828 CD1 LEU A 55 -13.755 0.432 4.288 1.00 0.00 C ATOM 829 CD2 LEU A 55 -14.832 -1.790 4.689 1.00 0.00 C ATOM 0 H LEU A 55 -11.164 -2.443 3.247 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.620 -3.551 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.562 -0.834 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.267 -1.201 2.113 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.738 -1.390 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.921 0.682 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.848 0.923 3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -14.604 0.772 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.983 -1.509 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.708 -1.506 4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.685 -2.868 4.621 1.00 0.00 H new ATOM 841 N GLY A 56 -14.362 -4.146 0.800 1.00 0.00 N ATOM 842 CA GLY A 56 -14.771 -4.555 -0.531 1.00 0.00 C ATOM 843 C GLY A 56 -13.788 -5.517 -1.170 1.00 0.00 C ATOM 844 O GLY A 56 -13.396 -5.337 -2.322 1.00 0.00 O ATOM 0 H GLY A 56 -14.890 -4.573 1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.753 -5.026 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.874 -3.673 -1.163 1.00 0.00 H new ATOM 848 N GLN A 57 -13.389 -6.538 -0.419 1.00 0.00 N ATOM 849 CA GLN A 57 -12.444 -7.529 -0.919 1.00 0.00 C ATOM 850 C GLN A 57 -11.428 -6.888 -1.857 1.00 0.00 C ATOM 851 O GLN A 57 -11.004 -7.498 -2.838 1.00 0.00 O ATOM 852 CB GLN A 57 -13.187 -8.653 -1.643 1.00 0.00 C ATOM 853 CG GLN A 57 -14.066 -8.165 -2.784 1.00 0.00 C ATOM 854 CD GLN A 57 -13.266 -7.778 -4.012 1.00 0.00 C ATOM 855 OE1 GLN A 57 -13.156 -6.599 -4.350 1.00 0.00 O ATOM 856 NE2 GLN A 57 -12.703 -8.772 -4.689 1.00 0.00 N ATOM 0 H GLN A 57 -13.705 -6.701 0.537 1.00 0.00 H new ATOM 0 HA GLN A 57 -11.909 -7.947 -0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.460 -9.365 -2.034 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.805 -9.191 -0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.777 -8.947 -3.050 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -14.647 -7.306 -2.448 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.820 -9.735 -4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.154 -8.573 -5.525 1.00 0.00 H new ATOM 865 N GLN A 58 -11.041 -5.654 -1.549 1.00 0.00 N ATOM 866 CA GLN A 58 -10.075 -4.930 -2.367 1.00 0.00 C ATOM 867 C GLN A 58 -8.649 -5.342 -2.018 1.00 0.00 C ATOM 868 O GLN A 58 -8.379 -5.806 -0.909 1.00 0.00 O ATOM 869 CB GLN A 58 -10.244 -3.421 -2.177 1.00 0.00 C ATOM 870 CG GLN A 58 -9.803 -2.603 -3.380 1.00 0.00 C ATOM 871 CD GLN A 58 -10.771 -2.707 -4.542 1.00 0.00 C ATOM 872 OE1 GLN A 58 -11.722 -1.931 -4.644 1.00 0.00 O ATOM 873 NE2 GLN A 58 -10.534 -3.668 -5.427 1.00 0.00 N ATOM 0 H GLN A 58 -11.381 -5.135 -0.739 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.260 -5.181 -3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.291 -3.205 -1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.671 -3.107 -1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.703 -1.558 -3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.817 -2.939 -3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.734 -4.289 -5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -11.152 -3.785 -6.230 1.00 0.00 H new ATOM 882 N LEU A 59 -7.739 -5.170 -2.970 1.00 0.00 N ATOM 883 CA LEU A 59 -6.339 -5.525 -2.763 1.00 0.00 C ATOM 884 C LEU A 59 -5.422 -4.370 -3.153 1.00 0.00 C ATOM 885 O LEU A 59 -4.394 -4.141 -2.516 1.00 0.00 O ATOM 886 CB LEU A 59 -5.983 -6.770 -3.577 1.00 0.00 C ATOM 887 CG LEU A 59 -6.096 -6.636 -5.095 1.00 0.00 C ATOM 888 CD1 LEU A 59 -5.304 -7.733 -5.789 1.00 0.00 C ATOM 889 CD2 LEU A 59 -7.555 -6.674 -5.527 1.00 0.00 C ATOM 0 H LEU A 59 -7.945 -4.787 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.196 -5.737 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.960 -7.058 -3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.630 -7.586 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.676 -5.673 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.397 -7.621 -6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.254 -7.659 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.693 -8.707 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.616 -6.577 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.000 -7.621 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.095 -5.851 -5.058 1.00 0.00 H new ATOM 901 N GLN A 60 -5.802 -3.646 -4.200 1.00 0.00 N ATOM 902 CA GLN A 60 -5.014 -2.513 -4.672 1.00 0.00 C ATOM 903 C GLN A 60 -5.798 -1.212 -4.541 1.00 0.00 C ATOM 904 O GLN A 60 -6.996 -1.166 -4.818 1.00 0.00 O ATOM 905 CB GLN A 60 -4.598 -2.727 -6.128 1.00 0.00 C ATOM 906 CG GLN A 60 -3.267 -3.445 -6.281 1.00 0.00 C ATOM 907 CD GLN A 60 -3.044 -3.969 -7.686 1.00 0.00 C ATOM 908 OE1 GLN A 60 -3.092 -5.176 -7.927 1.00 0.00 O ATOM 909 NE2 GLN A 60 -2.798 -3.061 -8.624 1.00 0.00 N ATOM 0 H GLN A 60 -6.650 -3.823 -4.738 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.120 -2.441 -4.052 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.372 -3.301 -6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.539 -1.759 -6.626 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.458 -2.763 -6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.224 -4.276 -5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.767 -2.071 -8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.640 -3.354 -9.588 1.00 0.00 H new ATOM 918 N GLY A 61 -5.113 -0.154 -4.116 1.00 0.00 N ATOM 919 CA GLY A 61 -5.762 1.134 -3.955 1.00 0.00 C ATOM 920 C GLY A 61 -4.794 2.221 -3.532 1.00 0.00 C ATOM 921 O GLY A 61 -3.588 1.990 -3.446 1.00 0.00 O ATOM 0 H GLY A 61 -4.121 -0.166 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.236 1.419 -4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.555 1.048 -3.212 1.00 0.00 H new ATOM 925 N TYR A 62 -5.323 3.411 -3.268 1.00 0.00 N ATOM 926 CA TYR A 62 -4.497 4.540 -2.855 1.00 0.00 C ATOM 927 C TYR A 62 -4.267 4.524 -1.347 1.00 0.00 C ATOM 928 O TYR A 62 -5.199 4.328 -0.568 1.00 0.00 O ATOM 929 CB TYR A 62 -5.155 5.858 -3.268 1.00 0.00 C ATOM 930 CG TYR A 62 -5.341 6.000 -4.762 1.00 0.00 C ATOM 931 CD1 TYR A 62 -4.251 5.971 -5.623 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.607 6.162 -5.312 1.00 0.00 C ATOM 933 CE1 TYR A 62 -4.416 6.102 -6.988 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.781 6.292 -6.676 1.00 0.00 C ATOM 935 CZ TYR A 62 -5.683 6.262 -7.510 1.00 0.00 C ATOM 936 OH TYR A 62 -5.852 6.390 -8.870 1.00 0.00 O ATOM 0 H TYR A 62 -6.320 3.619 -3.333 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.531 4.452 -3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.126 5.938 -2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.547 6.687 -2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.258 5.844 -5.218 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.469 6.187 -4.662 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.558 6.079 -7.643 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.772 6.417 -7.087 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.805 6.493 -9.073 1.00 0.00 H new ATOM 946 N ILE A 63 -3.018 4.732 -0.944 1.00 0.00 N ATOM 947 CA ILE A 63 -2.664 4.744 0.470 1.00 0.00 C ATOM 948 C ILE A 63 -1.674 5.862 0.779 1.00 0.00 C ATOM 949 O ILE A 63 -0.798 6.189 -0.021 1.00 0.00 O ATOM 950 CB ILE A 63 -2.056 3.399 0.909 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.750 3.134 0.156 1.00 0.00 C ATOM 952 CG2 ILE A 63 -3.047 2.268 0.676 1.00 0.00 C ATOM 953 CD1 ILE A 63 0.135 2.106 0.823 1.00 0.00 C ATOM 0 H ILE A 63 -2.234 4.894 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.586 4.915 1.025 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.835 3.448 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.984 2.799 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.199 4.069 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.602 1.324 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.953 2.453 1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.297 2.215 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.042 1.970 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.400 2.448 1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.398 1.158 0.893 1.00 0.00 H new ATOM 965 N PRO A 64 -1.814 6.463 1.970 1.00 0.00 N ATOM 966 CA PRO A 64 -0.939 7.552 2.415 1.00 0.00 C ATOM 967 C PRO A 64 0.477 7.073 2.713 1.00 0.00 C ATOM 968 O PRO A 64 0.697 6.295 3.641 1.00 0.00 O ATOM 969 CB PRO A 64 -1.616 8.050 3.695 1.00 0.00 C ATOM 970 CG PRO A 64 -2.387 6.878 4.196 1.00 0.00 C ATOM 971 CD PRO A 64 -2.836 6.125 2.975 1.00 0.00 C ATOM 0 HA PRO A 64 -0.824 8.320 1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.881 8.383 4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.271 8.898 3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.769 6.249 4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.241 7.199 4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.879 5.051 3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.831 6.434 2.656 1.00 0.00 H new ATOM 979 N SER A 65 1.435 7.544 1.921 1.00 0.00 N ATOM 980 CA SER A 65 2.831 7.160 2.098 1.00 0.00 C ATOM 981 C SER A 65 3.301 7.462 3.518 1.00 0.00 C ATOM 982 O SER A 65 4.036 6.680 4.119 1.00 0.00 O ATOM 983 CB SER A 65 3.716 7.895 1.089 1.00 0.00 C ATOM 984 OG SER A 65 3.641 9.298 1.272 1.00 0.00 O ATOM 0 H SER A 65 1.270 8.192 1.151 1.00 0.00 H new ATOM 0 HA SER A 65 2.912 6.086 1.927 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.749 7.565 1.199 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.406 7.640 0.075 1.00 0.00 H new ATOM 0 HG SER A 65 4.217 9.745 0.616 1.00 0.00 H new ATOM 990 N ASN A 66 2.870 8.602 4.047 1.00 0.00 N ATOM 991 CA ASN A 66 3.247 9.009 5.396 1.00 0.00 C ATOM 992 C ASN A 66 2.975 7.890 6.397 1.00 0.00 C ATOM 993 O ASN A 66 3.771 7.648 7.305 1.00 0.00 O ATOM 994 CB ASN A 66 2.482 10.270 5.803 1.00 0.00 C ATOM 995 CG ASN A 66 2.769 11.442 4.884 1.00 0.00 C ATOM 996 OD1 ASN A 66 2.819 11.290 3.664 1.00 0.00 O ATOM 997 ND2 ASN A 66 2.959 12.619 5.469 1.00 0.00 N ATOM 0 H ASN A 66 2.260 9.260 3.563 1.00 0.00 H new ATOM 0 HA ASN A 66 4.316 9.224 5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.412 10.061 5.797 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.748 10.539 6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.156 13.444 4.903 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.908 12.698 6.485 1.00 0.00 H new ATOM 1004 N TYR A 67 1.846 7.212 6.225 1.00 0.00 N ATOM 1005 CA TYR A 67 1.468 6.120 7.114 1.00 0.00 C ATOM 1006 C TYR A 67 2.468 4.972 7.024 1.00 0.00 C ATOM 1007 O TYR A 67 2.718 4.271 8.005 1.00 0.00 O ATOM 1008 CB TYR A 67 0.065 5.617 6.770 1.00 0.00 C ATOM 1009 CG TYR A 67 -1.043 6.465 7.353 1.00 0.00 C ATOM 1010 CD1 TYR A 67 -1.147 7.815 7.043 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -1.984 5.916 8.215 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -2.157 8.594 7.574 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -2.998 6.687 8.750 1.00 0.00 C ATOM 1014 CZ TYR A 67 -3.080 8.026 8.427 1.00 0.00 C ATOM 1015 OH TYR A 67 -4.088 8.797 8.958 1.00 0.00 O ATOM 0 H TYR A 67 1.177 7.399 5.478 1.00 0.00 H new ATOM 0 HA TYR A 67 1.471 6.500 8.136 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.045 5.586 5.686 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.044 4.594 7.131 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.426 8.263 6.375 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.922 4.869 8.471 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.223 9.642 7.322 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.722 6.244 9.417 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.652 8.244 9.537 1.00 0.00 H new ATOM 1025 N VAL A 68 3.039 4.786 5.838 1.00 0.00 N ATOM 1026 CA VAL A 68 4.015 3.724 5.617 1.00 0.00 C ATOM 1027 C VAL A 68 5.416 4.295 5.433 1.00 0.00 C ATOM 1028 O VAL A 68 5.622 5.505 5.530 1.00 0.00 O ATOM 1029 CB VAL A 68 3.652 2.876 4.384 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.305 2.196 4.581 1.00 0.00 C ATOM 1031 CG2 VAL A 68 3.645 3.736 3.130 1.00 0.00 C ATOM 0 H VAL A 68 2.843 5.356 5.015 1.00 0.00 H new ATOM 0 HA VAL A 68 3.998 3.089 6.503 1.00 0.00 H new ATOM 0 HB VAL A 68 4.409 2.101 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.065 1.601 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.350 1.547 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.534 2.952 4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.387 3.121 2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.910 4.534 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.633 4.171 2.982 1.00 0.00 H new ATOM 1041 N ALA A 69 6.377 3.417 5.166 1.00 0.00 N ATOM 1042 CA ALA A 69 7.759 3.834 4.966 1.00 0.00 C ATOM 1043 C ALA A 69 8.528 2.806 4.143 1.00 0.00 C ATOM 1044 O ALA A 69 7.998 1.749 3.801 1.00 0.00 O ATOM 1045 CB ALA A 69 8.443 4.058 6.306 1.00 0.00 C ATOM 0 H ALA A 69 6.224 2.412 5.083 1.00 0.00 H new ATOM 0 HA ALA A 69 7.752 4.773 4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.474 4.369 6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.914 4.834 6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.431 3.131 6.880 1.00 0.00 H new ATOM 1051 N GLU A 70 9.780 3.124 3.827 1.00 0.00 N ATOM 1052 CA GLU A 70 10.620 2.228 3.042 1.00 0.00 C ATOM 1053 C GLU A 70 11.202 1.122 3.917 1.00 0.00 C ATOM 1054 O GLU A 70 12.246 1.298 4.547 1.00 0.00 O ATOM 1055 CB GLU A 70 11.751 3.010 2.371 1.00 0.00 C ATOM 1056 CG GLU A 70 12.261 2.367 1.092 1.00 0.00 C ATOM 1057 CD GLU A 70 13.287 1.282 1.354 1.00 0.00 C ATOM 1058 OE1 GLU A 70 14.237 1.538 2.123 1.00 0.00 O ATOM 1059 OE2 GLU A 70 13.141 0.178 0.790 1.00 0.00 O ATOM 0 H GLU A 70 10.234 3.995 4.103 1.00 0.00 H new ATOM 0 HA GLU A 70 9.998 1.770 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.401 4.018 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.579 3.109 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.421 1.942 0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.703 3.134 0.455 1.00 0.00 H new ATOM 1066 N ASP A 71 10.519 -0.017 3.953 1.00 0.00 N ATOM 1067 CA ASP A 71 10.968 -1.153 4.750 1.00 0.00 C ATOM 1068 C ASP A 71 11.819 -2.103 3.913 1.00 0.00 C ATOM 1069 O ASP A 71 11.610 -2.240 2.708 1.00 0.00 O ATOM 1070 CB ASP A 71 9.767 -1.901 5.330 1.00 0.00 C ATOM 1071 CG ASP A 71 10.083 -2.565 6.656 1.00 0.00 C ATOM 1072 OD1 ASP A 71 10.943 -2.037 7.393 1.00 0.00 O ATOM 1073 OD2 ASP A 71 9.472 -3.612 6.958 1.00 0.00 O ATOM 0 H ASP A 71 9.652 -0.178 3.440 1.00 0.00 H new ATOM 0 HA ASP A 71 11.580 -0.772 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.939 -1.205 5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.435 -2.657 4.618 1.00 0.00 H new ATOM 1078 N SER A 72 12.779 -2.755 4.560 1.00 0.00 N ATOM 1079 CA SER A 72 13.665 -3.689 3.874 1.00 0.00 C ATOM 1080 C SER A 72 12.875 -4.849 3.277 1.00 0.00 C ATOM 1081 O SER A 72 11.752 -5.130 3.695 1.00 0.00 O ATOM 1082 CB SER A 72 14.724 -4.222 4.841 1.00 0.00 C ATOM 1083 OG SER A 72 15.545 -3.175 5.328 1.00 0.00 O ATOM 0 H SER A 72 12.964 -2.654 5.558 1.00 0.00 H new ATOM 0 HA SER A 72 14.159 -3.154 3.063 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.237 -4.725 5.677 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.340 -4.966 4.336 1.00 0.00 H new ATOM 0 HG SER A 72 16.212 -3.542 5.945 1.00 0.00 H new ATOM 1089 N GLY A 73 13.470 -5.518 2.294 1.00 0.00 N ATOM 1090 CA GLY A 73 12.808 -6.640 1.654 1.00 0.00 C ATOM 1091 C GLY A 73 13.320 -7.977 2.153 1.00 0.00 C ATOM 1092 O GLY A 73 12.865 -8.499 3.170 1.00 0.00 O ATOM 0 H GLY A 73 14.398 -5.303 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.735 -6.575 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.955 -6.578 0.576 1.00 0.00 H new ATOM 1096 N PRO A 74 14.289 -8.553 1.425 1.00 0.00 N ATOM 1097 CA PRO A 74 14.883 -9.845 1.780 1.00 0.00 C ATOM 1098 C PRO A 74 15.741 -9.763 3.037 1.00 0.00 C ATOM 1099 O PRO A 74 16.665 -8.953 3.118 1.00 0.00 O ATOM 1100 CB PRO A 74 15.748 -10.183 0.563 1.00 0.00 C ATOM 1101 CG PRO A 74 16.073 -8.865 -0.049 1.00 0.00 C ATOM 1102 CD PRO A 74 14.879 -7.986 0.201 1.00 0.00 C ATOM 0 HA PRO A 74 14.124 -10.595 2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 74 16.652 -10.717 0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 74 15.212 -10.823 -0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 74 16.972 -8.439 0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 74 16.265 -8.968 -1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 74 15.169 -6.944 0.340 1.00 0.00 H new ATOM 0 HD3 PRO A 74 14.178 -8.014 -0.633 1.00 0.00 H new ATOM 1110 N SER A 75 15.430 -10.606 4.017 1.00 0.00 N ATOM 1111 CA SER A 75 16.171 -10.626 5.272 1.00 0.00 C ATOM 1112 C SER A 75 17.113 -11.825 5.328 1.00 0.00 C ATOM 1113 O SER A 75 16.787 -12.857 5.915 1.00 0.00 O ATOM 1114 CB SER A 75 15.206 -10.665 6.459 1.00 0.00 C ATOM 1115 OG SER A 75 15.850 -10.259 7.654 1.00 0.00 O ATOM 0 H SER A 75 14.670 -11.284 3.965 1.00 0.00 H new ATOM 0 HA SER A 75 16.767 -9.715 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.355 -10.013 6.261 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.813 -11.675 6.579 1.00 0.00 H new ATOM 0 HG SER A 75 15.212 -10.291 8.397 1.00 0.00 H new ATOM 1121 N SER A 76 18.282 -11.681 4.714 1.00 0.00 N ATOM 1122 CA SER A 76 19.270 -12.753 4.689 1.00 0.00 C ATOM 1123 C SER A 76 18.652 -14.051 4.178 1.00 0.00 C ATOM 1124 O SER A 76 18.919 -15.129 4.707 1.00 0.00 O ATOM 1125 CB SER A 76 19.854 -12.969 6.087 1.00 0.00 C ATOM 1126 OG SER A 76 20.882 -13.944 6.065 1.00 0.00 O ATOM 0 H SER A 76 18.569 -10.832 4.227 1.00 0.00 H new ATOM 0 HA SER A 76 20.070 -12.460 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 76 20.249 -12.028 6.469 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.065 -13.284 6.770 1.00 0.00 H new ATOM 0 HG SER A 76 20.597 -14.708 5.521 1.00 0.00 H new ATOM 1132 N GLY A 77 17.823 -13.937 3.144 1.00 0.00 N ATOM 1133 CA GLY A 77 17.179 -15.107 2.578 1.00 0.00 C ATOM 1134 C GLY A 77 15.670 -14.967 2.519 1.00 0.00 C ATOM 1135 O GLY A 77 14.963 -15.927 2.213 1.00 0.00 O ATOM 0 H GLY A 77 17.587 -13.055 2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.564 -15.280 1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.437 -15.983 3.173 1.00 0.00 H new TER 1139 GLY A 77