USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 753 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 43 ASN : amide:sc= 0.641 K(o=1.6,f=-1.2) USER MOD Set 1.2: A 68 TYR OH : rot 56:sc= 0.987 USER MOD Set 2.1: A 29 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-6.1!) USER MOD Set 2.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.0262 (180deg=-0.294) USER MOD Single : A 4 THR OG1 : rot 136:sc= 1.11 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.275 K(o=-0.28,f=-0.97) USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= -2.4! (180deg=-3.25) USER MOD Single : A 37 THR OG1 : rot 150:sc=-0.00374 USER MOD Single : A 55 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0979 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc=-0.00701 K(o=-0.007,f=-1.8!) USER MOD Single : A 62 GLN : amide:sc= -0.956 X(o=-0.96,f=-0.89) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 89 LYS NZ :NH3+ -125:sc= 0.00119 (180deg=-0.195) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.090 -17.967 -13.749 1.00 0.00 N ATOM 2 CA MET A 1 0.335 -17.933 -13.320 1.00 0.00 C ATOM 3 C MET A 1 0.391 -17.843 -11.801 1.00 0.00 C ATOM 4 O MET A 1 -0.565 -17.409 -11.160 1.00 0.00 O ATOM 5 CB MET A 1 1.033 -16.721 -13.945 1.00 0.00 C ATOM 6 CG MET A 1 1.125 -16.916 -15.461 1.00 0.00 C ATOM 7 SD MET A 1 2.043 -15.542 -16.203 1.00 0.00 S ATOM 8 CE MET A 1 0.662 -14.383 -16.367 1.00 0.00 C ATOM 0 H1 MET A 1 -1.251 -18.798 -14.353 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.704 -18.024 -12.911 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.312 -17.103 -14.283 1.00 0.00 H new ATOM 0 HA MET A 1 0.844 -18.839 -13.650 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.479 -15.810 -13.717 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.030 -16.602 -13.521 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.621 -17.860 -15.686 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.125 -16.971 -15.891 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.018 -13.454 -16.812 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.106 -14.820 -17.005 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.242 -14.176 -15.383 1.00 0.00 H new ATOM 20 N GLU A 2 1.510 -18.269 -11.225 1.00 0.00 N ATOM 21 CA GLU A 2 1.663 -18.242 -9.775 1.00 0.00 C ATOM 22 C GLU A 2 1.826 -16.796 -9.273 1.00 0.00 C ATOM 23 O GLU A 2 2.399 -15.962 -9.976 1.00 0.00 O ATOM 24 CB GLU A 2 2.892 -19.070 -9.373 1.00 0.00 C ATOM 25 CG GLU A 2 2.627 -20.555 -9.651 1.00 0.00 C ATOM 26 CD GLU A 2 3.876 -21.380 -9.353 1.00 0.00 C ATOM 27 OE1 GLU A 2 4.962 -20.835 -9.459 1.00 0.00 O ATOM 28 OE2 GLU A 2 3.727 -22.545 -9.023 1.00 0.00 O ATOM 0 H GLU A 2 2.316 -18.633 -11.733 1.00 0.00 H new ATOM 0 HA GLU A 2 0.768 -18.668 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.766 -18.736 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.113 -18.922 -8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.797 -20.905 -9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.333 -20.690 -10.692 1.00 0.00 H new ATOM 35 N PRO A 3 1.358 -16.478 -8.077 1.00 0.00 N ATOM 36 CA PRO A 3 1.496 -15.102 -7.512 1.00 0.00 C ATOM 37 C PRO A 3 2.888 -14.509 -7.755 1.00 0.00 C ATOM 38 O PRO A 3 3.863 -15.240 -7.925 1.00 0.00 O ATOM 39 CB PRO A 3 1.250 -15.304 -6.001 1.00 0.00 C ATOM 40 CG PRO A 3 0.346 -16.501 -5.907 1.00 0.00 C ATOM 41 CD PRO A 3 0.633 -17.376 -7.146 1.00 0.00 C ATOM 0 HA PRO A 3 0.804 -14.401 -7.978 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.186 -15.474 -5.469 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.786 -14.424 -5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.535 -17.057 -4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.700 -16.195 -5.884 1.00 0.00 H new ATOM 0 HD2 PRO A 3 1.235 -18.247 -6.886 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.290 -17.748 -7.591 1.00 0.00 H new ATOM 49 N THR A 4 2.963 -13.179 -7.762 1.00 0.00 N ATOM 50 CA THR A 4 4.231 -12.486 -7.978 1.00 0.00 C ATOM 51 C THR A 4 5.098 -12.565 -6.730 1.00 0.00 C ATOM 52 O THR A 4 6.325 -12.525 -6.812 1.00 0.00 O ATOM 53 CB THR A 4 3.968 -11.018 -8.325 1.00 0.00 C ATOM 54 OG1 THR A 4 3.288 -10.397 -7.244 1.00 0.00 O ATOM 55 CG2 THR A 4 3.106 -10.937 -9.586 1.00 0.00 C ATOM 0 H THR A 4 2.163 -12.562 -7.621 1.00 0.00 H new ATOM 0 HA THR A 4 4.754 -12.968 -8.804 1.00 0.00 H new ATOM 0 HB THR A 4 4.915 -10.508 -8.503 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.682 -9.516 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.919 -9.892 -9.832 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.627 -11.418 -10.414 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.157 -11.444 -9.411 1.00 0.00 H new ATOM 63 N ALA A 5 4.452 -12.681 -5.575 1.00 0.00 N ATOM 64 CA ALA A 5 5.176 -12.768 -4.311 1.00 0.00 C ATOM 65 C ALA A 5 6.184 -11.629 -4.188 1.00 0.00 C ATOM 66 O ALA A 5 7.280 -11.692 -4.745 1.00 0.00 O ATOM 67 CB ALA A 5 5.908 -14.107 -4.222 1.00 0.00 C ATOM 0 H ALA A 5 3.436 -12.717 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 5 4.456 -12.690 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.446 -14.165 -3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.185 -14.921 -4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.615 -14.191 -5.047 1.00 0.00 H new ATOM 73 N PHE A 6 5.804 -10.591 -3.452 1.00 0.00 N ATOM 74 CA PHE A 6 6.678 -9.436 -3.255 1.00 0.00 C ATOM 75 C PHE A 6 7.722 -9.755 -2.188 1.00 0.00 C ATOM 76 O PHE A 6 7.393 -10.203 -1.093 1.00 0.00 O ATOM 77 CB PHE A 6 5.834 -8.221 -2.814 1.00 0.00 C ATOM 78 CG PHE A 6 5.085 -7.654 -4.008 1.00 0.00 C ATOM 79 CD1 PHE A 6 4.027 -8.380 -4.565 1.00 0.00 C ATOM 80 CD2 PHE A 6 5.447 -6.413 -4.561 1.00 0.00 C ATOM 81 CE1 PHE A 6 3.332 -7.873 -5.669 1.00 0.00 C ATOM 82 CE2 PHE A 6 4.749 -5.907 -5.665 1.00 0.00 C ATOM 83 CZ PHE A 6 3.693 -6.638 -6.219 1.00 0.00 C ATOM 0 H PHE A 6 4.901 -10.523 -2.983 1.00 0.00 H new ATOM 0 HA PHE A 6 7.185 -9.202 -4.191 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.128 -8.519 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.479 -7.456 -2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.746 -9.333 -4.142 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.264 -5.850 -4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.516 -8.436 -6.097 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.026 -4.953 -6.088 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.156 -6.249 -7.072 1.00 0.00 H new ATOM 93 N SER A 7 8.992 -9.520 -2.523 1.00 0.00 N ATOM 94 CA SER A 7 10.096 -9.778 -1.597 1.00 0.00 C ATOM 95 C SER A 7 10.467 -8.502 -0.852 1.00 0.00 C ATOM 96 O SER A 7 9.898 -7.440 -1.100 1.00 0.00 O ATOM 97 CB SER A 7 11.312 -10.283 -2.369 1.00 0.00 C ATOM 98 OG SER A 7 10.945 -11.431 -3.124 1.00 0.00 O ATOM 0 H SER A 7 9.281 -9.151 -3.429 1.00 0.00 H new ATOM 0 HA SER A 7 9.779 -10.534 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.687 -9.502 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.119 -10.530 -1.679 1.00 0.00 H new ATOM 0 HG SER A 7 11.723 -11.757 -3.623 1.00 0.00 H new ATOM 104 N GLY A 8 11.423 -8.613 0.060 1.00 0.00 N ATOM 105 CA GLY A 8 11.863 -7.458 0.835 1.00 0.00 C ATOM 106 C GLY A 8 12.518 -6.410 -0.062 1.00 0.00 C ATOM 107 O GLY A 8 12.339 -5.209 0.138 1.00 0.00 O ATOM 0 H GLY A 8 11.906 -9.483 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.011 -7.017 1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.569 -7.778 1.601 1.00 0.00 H new ATOM 111 N SER A 9 13.282 -6.876 -1.048 1.00 0.00 N ATOM 112 CA SER A 9 13.968 -5.976 -1.971 1.00 0.00 C ATOM 113 C SER A 9 12.972 -5.340 -2.937 1.00 0.00 C ATOM 114 O SER A 9 13.267 -4.323 -3.564 1.00 0.00 O ATOM 115 CB SER A 9 15.023 -6.757 -2.763 1.00 0.00 C ATOM 116 OG SER A 9 16.106 -7.086 -1.902 1.00 0.00 O ATOM 0 H SER A 9 13.441 -7.867 -1.227 1.00 0.00 H new ATOM 0 HA SER A 9 14.451 -5.187 -1.395 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.585 -7.664 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.379 -6.161 -3.603 1.00 0.00 H new ATOM 0 HG SER A 9 16.782 -7.587 -2.404 1.00 0.00 H new ATOM 122 N ASP A 10 11.794 -5.944 -3.053 1.00 0.00 N ATOM 123 CA ASP A 10 10.764 -5.422 -3.949 1.00 0.00 C ATOM 124 C ASP A 10 10.187 -4.131 -3.375 1.00 0.00 C ATOM 125 O ASP A 10 9.586 -4.134 -2.302 1.00 0.00 O ATOM 126 CB ASP A 10 9.643 -6.451 -4.127 1.00 0.00 C ATOM 127 CG ASP A 10 8.685 -5.992 -5.222 1.00 0.00 C ATOM 128 OD1 ASP A 10 8.595 -4.796 -5.439 1.00 0.00 O ATOM 129 OD2 ASP A 10 8.056 -6.845 -5.827 1.00 0.00 O ATOM 0 H ASP A 10 11.529 -6.787 -2.544 1.00 0.00 H new ATOM 0 HA ASP A 10 11.215 -5.219 -4.920 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.066 -7.422 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.103 -6.579 -3.189 1.00 0.00 H new ATOM 134 N VAL A 11 10.381 -3.020 -4.091 1.00 0.00 N ATOM 135 CA VAL A 11 9.883 -1.720 -3.628 1.00 0.00 C ATOM 136 C VAL A 11 8.508 -1.404 -4.246 1.00 0.00 C ATOM 137 O VAL A 11 8.380 -1.379 -5.473 1.00 0.00 O ATOM 138 CB VAL A 11 10.887 -0.622 -4.015 1.00 0.00 C ATOM 139 CG1 VAL A 11 12.232 -0.927 -3.344 1.00 0.00 C ATOM 140 CG2 VAL A 11 11.056 -0.564 -5.551 1.00 0.00 C ATOM 0 H VAL A 11 10.874 -2.993 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 11 9.771 -1.757 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 11 10.518 0.347 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.955 -0.155 -3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.103 -0.946 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.596 -1.897 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.770 0.218 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.423 -1.524 -5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.094 -0.345 -6.015 1.00 0.00 H new ATOM 150 N PRO A 12 7.471 -1.161 -3.451 1.00 0.00 N ATOM 151 CA PRO A 12 6.120 -0.845 -4.004 1.00 0.00 C ATOM 152 C PRO A 12 6.041 0.604 -4.497 1.00 0.00 C ATOM 153 O PRO A 12 6.776 1.471 -4.028 1.00 0.00 O ATOM 154 CB PRO A 12 5.177 -1.103 -2.815 1.00 0.00 C ATOM 155 CG PRO A 12 6.002 -0.775 -1.606 1.00 0.00 C ATOM 156 CD PRO A 12 7.453 -1.153 -1.963 1.00 0.00 C ATOM 0 HA PRO A 12 5.865 -1.447 -4.876 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.287 -0.476 -2.871 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.837 -2.138 -2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.925 0.283 -1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.657 -1.333 -0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.164 -0.431 -1.560 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.723 -2.128 -1.556 1.00 0.00 H new ATOM 164 N ARG A 13 5.141 0.857 -5.445 1.00 0.00 N ATOM 165 CA ARG A 13 4.962 2.203 -5.994 1.00 0.00 C ATOM 166 C ARG A 13 3.573 2.328 -6.601 1.00 0.00 C ATOM 167 O ARG A 13 3.123 1.445 -7.331 1.00 0.00 O ATOM 168 CB ARG A 13 6.030 2.494 -7.054 1.00 0.00 C ATOM 169 CG ARG A 13 5.872 3.933 -7.555 1.00 0.00 C ATOM 170 CD ARG A 13 7.026 4.275 -8.495 1.00 0.00 C ATOM 171 NE ARG A 13 6.944 3.451 -9.700 1.00 0.00 N ATOM 172 CZ ARG A 13 6.140 3.779 -10.710 1.00 0.00 C ATOM 173 NH1 ARG A 13 6.094 3.032 -11.777 1.00 0.00 N ATOM 174 NH2 ARG A 13 5.391 4.846 -10.627 1.00 0.00 N ATOM 0 H ARG A 13 4.525 0.151 -5.849 1.00 0.00 H new ATOM 0 HA ARG A 13 5.068 2.930 -5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.025 2.351 -6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.933 1.795 -7.885 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.920 4.046 -8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.859 4.624 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.989 5.331 -8.762 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.979 4.107 -7.992 1.00 0.00 H new ATOM 0 HE ARG A 13 7.514 2.608 -9.769 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.674 2.195 -11.839 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.478 3.284 -12.550 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.422 5.427 -9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.775 5.098 -11.400 1.00 0.00 H new ATOM 188 N LEU A 14 2.888 3.418 -6.279 1.00 0.00 N ATOM 189 CA LEU A 14 1.538 3.628 -6.785 1.00 0.00 C ATOM 190 C LEU A 14 1.555 3.845 -8.311 1.00 0.00 C ATOM 191 O LEU A 14 2.235 4.753 -8.791 1.00 0.00 O ATOM 192 CB LEU A 14 0.918 4.851 -6.086 1.00 0.00 C ATOM 193 CG LEU A 14 0.674 4.543 -4.580 1.00 0.00 C ATOM 194 CD1 LEU A 14 0.687 5.845 -3.769 1.00 0.00 C ATOM 195 CD2 LEU A 14 -0.689 3.857 -4.379 1.00 0.00 C ATOM 0 H LEU A 14 3.240 4.162 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 14 0.939 2.742 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.580 5.711 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.023 5.116 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 14 1.469 3.880 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.515 5.620 -2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.654 6.335 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.099 6.507 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.840 3.650 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.483 4.513 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.711 2.921 -4.938 1.00 0.00 H new ATOM 207 N PRO A 15 0.840 3.048 -9.088 1.00 0.00 N ATOM 208 CA PRO A 15 0.819 3.208 -10.571 1.00 0.00 C ATOM 209 C PRO A 15 -0.055 4.381 -11.007 1.00 0.00 C ATOM 210 O PRO A 15 -0.978 4.783 -10.298 1.00 0.00 O ATOM 211 CB PRO A 15 0.265 1.861 -11.069 1.00 0.00 C ATOM 212 CG PRO A 15 -0.651 1.409 -9.973 1.00 0.00 C ATOM 213 CD PRO A 15 -0.022 1.917 -8.664 1.00 0.00 C ATOM 0 HA PRO A 15 1.802 3.437 -10.983 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.269 1.975 -12.012 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.065 1.141 -11.241 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.653 1.815 -10.109 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.746 0.323 -9.966 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.784 2.241 -7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.559 1.137 -8.172 1.00 0.00 H new ATOM 221 N ARG A 16 0.248 4.919 -12.180 1.00 0.00 N ATOM 222 CA ARG A 16 -0.508 6.042 -12.714 1.00 0.00 C ATOM 223 C ARG A 16 -1.984 5.675 -12.820 1.00 0.00 C ATOM 224 O ARG A 16 -2.331 4.508 -12.999 1.00 0.00 O ATOM 225 CB ARG A 16 0.033 6.424 -14.096 1.00 0.00 C ATOM 226 CG ARG A 16 -0.701 7.665 -14.612 1.00 0.00 C ATOM 227 CD ARG A 16 -0.071 8.125 -15.927 1.00 0.00 C ATOM 228 NE ARG A 16 -0.679 9.383 -16.355 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.331 10.545 -15.806 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.890 11.652 -16.208 1.00 0.00 N ATOM 231 NH2 ARG A 16 0.568 10.574 -14.859 1.00 0.00 N ATOM 0 H ARG A 16 1.009 4.597 -12.778 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.401 6.892 -12.041 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.103 6.621 -14.037 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.100 5.595 -14.791 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.757 7.439 -14.763 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.648 8.464 -13.873 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.004 8.255 -15.800 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.211 7.363 -16.694 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.386 9.371 -17.091 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.595 11.629 -16.944 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.622 12.541 -15.786 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.002 9.707 -14.541 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.836 11.463 -14.437 1.00 0.00 H new ATOM 245 N GLY A 17 -2.849 6.680 -12.709 1.00 0.00 N ATOM 246 CA GLY A 17 -4.293 6.459 -12.795 1.00 0.00 C ATOM 247 C GLY A 17 -4.864 6.038 -11.445 1.00 0.00 C ATOM 248 O GLY A 17 -5.985 5.533 -11.364 1.00 0.00 O ATOM 0 H GLY A 17 -2.578 7.652 -12.560 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.784 7.371 -13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.503 5.690 -13.538 1.00 0.00 H new ATOM 252 N VAL A 18 -4.084 6.252 -10.381 1.00 0.00 N ATOM 253 CA VAL A 18 -4.512 5.901 -9.018 1.00 0.00 C ATOM 254 C VAL A 18 -4.177 7.031 -8.054 1.00 0.00 C ATOM 255 O VAL A 18 -3.073 7.576 -8.073 1.00 0.00 O ATOM 256 CB VAL A 18 -3.813 4.617 -8.562 1.00 0.00 C ATOM 257 CG1 VAL A 18 -4.290 4.234 -7.154 1.00 0.00 C ATOM 258 CG2 VAL A 18 -4.143 3.490 -9.541 1.00 0.00 C ATOM 0 H VAL A 18 -3.153 6.666 -10.434 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.590 5.742 -9.023 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.735 4.779 -8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.789 3.320 -6.836 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.053 5.039 -6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.368 4.071 -7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.648 2.573 -9.221 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.221 3.331 -9.563 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.796 3.761 -10.538 1.00 0.00 H new ATOM 268 N ARG A 19 -5.146 7.382 -7.208 1.00 0.00 N ATOM 269 CA ARG A 19 -4.969 8.453 -6.225 1.00 0.00 C ATOM 270 C ARG A 19 -5.533 8.026 -4.879 1.00 0.00 C ATOM 271 O ARG A 19 -6.435 7.193 -4.807 1.00 0.00 O ATOM 272 CB ARG A 19 -5.685 9.717 -6.697 1.00 0.00 C ATOM 273 CG ARG A 19 -5.049 10.189 -8.002 1.00 0.00 C ATOM 274 CD ARG A 19 -5.750 11.456 -8.482 1.00 0.00 C ATOM 275 NE ARG A 19 -7.127 11.158 -8.856 1.00 0.00 N ATOM 276 CZ ARG A 19 -7.973 12.125 -9.191 1.00 0.00 C ATOM 277 NH1 ARG A 19 -9.200 11.834 -9.521 1.00 0.00 N ATOM 278 NH2 ARG A 19 -7.576 13.368 -9.187 1.00 0.00 N ATOM 0 H ARG A 19 -6.064 6.939 -7.183 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.904 8.658 -6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.746 9.516 -6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.612 10.497 -5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.987 10.383 -7.852 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.126 9.409 -8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.734 12.210 -7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.216 11.875 -9.335 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.446 10.189 -8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.511 10.863 -9.522 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.849 12.578 -9.778 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.617 13.596 -8.927 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.225 14.112 -9.444 1.00 0.00 H new ATOM 292 N LEU A 20 -4.987 8.600 -3.812 1.00 0.00 N ATOM 293 CA LEU A 20 -5.429 8.281 -2.455 1.00 0.00 C ATOM 294 C LEU A 20 -6.464 9.301 -1.992 1.00 0.00 C ATOM 295 O LEU A 20 -6.426 10.464 -2.392 1.00 0.00 O ATOM 296 CB LEU A 20 -4.226 8.304 -1.506 1.00 0.00 C ATOM 297 CG LEU A 20 -3.071 7.483 -2.096 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.910 7.478 -1.100 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.524 6.041 -2.385 1.00 0.00 C ATOM 0 H LEU A 20 -4.237 9.289 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.879 7.288 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.904 9.332 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.511 7.899 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.752 7.933 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.083 6.897 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.581 8.501 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.238 7.032 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.691 5.475 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.854 5.571 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.348 6.055 -3.099 1.00 0.00 H new ATOM 311 N ARG A 21 -7.394 8.854 -1.151 1.00 0.00 N ATOM 312 CA ARG A 21 -8.449 9.727 -0.635 1.00 0.00 C ATOM 313 C ARG A 21 -8.699 9.423 0.833 1.00 0.00 C ATOM 314 O ARG A 21 -8.650 8.270 1.257 1.00 0.00 O ATOM 315 CB ARG A 21 -9.740 9.505 -1.425 1.00 0.00 C ATOM 316 CG ARG A 21 -9.501 9.832 -2.900 1.00 0.00 C ATOM 317 CD ARG A 21 -10.817 9.701 -3.666 1.00 0.00 C ATOM 318 NE ARG A 21 -11.271 8.316 -3.657 1.00 0.00 N ATOM 319 CZ ARG A 21 -12.470 7.983 -4.125 1.00 0.00 C ATOM 320 NH1 ARG A 21 -12.856 6.738 -4.103 1.00 0.00 N ATOM 321 NH2 ARG A 21 -13.261 8.904 -4.604 1.00 0.00 N ATOM 0 H ARG A 21 -7.440 7.893 -0.812 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.132 10.764 -0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.069 8.471 -1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.535 10.135 -1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.107 10.843 -3.001 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.755 9.156 -3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.574 10.342 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.683 10.041 -4.693 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.658 7.590 -3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.238 6.019 -3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.776 6.483 -4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.959 9.878 -4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.181 8.650 -4.963 1.00 0.00 H new ATOM 335 N PHE A 22 -8.968 10.471 1.611 1.00 0.00 N ATOM 336 CA PHE A 22 -9.227 10.320 3.043 1.00 0.00 C ATOM 337 C PHE A 22 -10.726 10.371 3.310 1.00 0.00 C ATOM 338 O PHE A 22 -11.355 11.422 3.190 1.00 0.00 O ATOM 339 CB PHE A 22 -8.535 11.452 3.810 1.00 0.00 C ATOM 340 CG PHE A 22 -8.768 11.272 5.295 1.00 0.00 C ATOM 341 CD1 PHE A 22 -7.994 10.353 6.010 1.00 0.00 C ATOM 342 CD2 PHE A 22 -9.762 12.012 5.952 1.00 0.00 C ATOM 343 CE1 PHE A 22 -8.210 10.173 7.380 1.00 0.00 C ATOM 344 CE2 PHE A 22 -9.977 11.832 7.323 1.00 0.00 C ATOM 345 CZ PHE A 22 -9.201 10.912 8.037 1.00 0.00 C ATOM 0 H PHE A 22 -9.012 11.433 1.274 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.837 9.358 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.466 11.450 3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.924 12.417 3.484 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.229 9.782 5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -10.361 12.721 5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.612 9.463 7.932 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.741 12.403 7.830 1.00 0.00 H new ATOM 0 HZ PHE A 22 -9.367 10.772 9.095 1.00 0.00 H new ATOM 355 N ASP A 23 -11.295 9.223 3.679 1.00 0.00 N ATOM 356 CA ASP A 23 -12.725 9.132 3.975 1.00 0.00 C ATOM 357 C ASP A 23 -12.963 9.417 5.455 1.00 0.00 C ATOM 358 O ASP A 23 -12.917 8.511 6.287 1.00 0.00 O ATOM 359 CB ASP A 23 -13.234 7.730 3.626 1.00 0.00 C ATOM 360 CG ASP A 23 -13.204 7.521 2.113 1.00 0.00 C ATOM 361 OD1 ASP A 23 -13.097 8.504 1.398 1.00 0.00 O ATOM 362 OD2 ASP A 23 -13.286 6.379 1.692 1.00 0.00 O ATOM 0 H ASP A 23 -10.788 8.344 3.780 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.265 9.868 3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.616 6.978 4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.250 7.601 3.999 1.00 0.00 H new ATOM 367 N GLU A 24 -13.209 10.683 5.776 1.00 0.00 N ATOM 368 CA GLU A 24 -13.445 11.078 7.158 1.00 0.00 C ATOM 369 C GLU A 24 -14.659 10.344 7.714 1.00 0.00 C ATOM 370 O GLU A 24 -14.710 10.015 8.899 1.00 0.00 O ATOM 371 CB GLU A 24 -13.673 12.590 7.233 1.00 0.00 C ATOM 372 CG GLU A 24 -13.748 13.033 8.697 1.00 0.00 C ATOM 373 CD GLU A 24 -13.879 14.550 8.777 1.00 0.00 C ATOM 374 OE1 GLU A 24 -14.977 15.042 8.576 1.00 0.00 O ATOM 375 OE2 GLU A 24 -12.877 15.198 9.034 1.00 0.00 O ATOM 0 H GLU A 24 -13.250 11.448 5.102 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.571 10.816 7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.863 13.114 6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.596 12.854 6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.600 12.560 9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.854 12.708 9.230 1.00 0.00 H new ATOM 382 N VAL A 25 -15.633 10.093 6.846 1.00 0.00 N ATOM 383 CA VAL A 25 -16.848 9.396 7.254 1.00 0.00 C ATOM 384 C VAL A 25 -16.521 7.968 7.699 1.00 0.00 C ATOM 385 O VAL A 25 -17.039 7.494 8.708 1.00 0.00 O ATOM 386 CB VAL A 25 -17.864 9.372 6.082 1.00 0.00 C ATOM 387 CG1 VAL A 25 -18.629 10.702 6.015 1.00 0.00 C ATOM 388 CG2 VAL A 25 -17.122 9.154 4.750 1.00 0.00 C ATOM 0 H VAL A 25 -15.606 10.360 5.862 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.291 9.928 8.096 1.00 0.00 H new ATOM 0 HB VAL A 25 -18.568 8.557 6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.339 10.672 5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.167 10.860 6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.925 11.519 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.841 9.138 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.411 9.965 4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.588 8.204 4.782 1.00 0.00 H new ATOM 398 N ARG A 26 -15.661 7.287 6.943 1.00 0.00 N ATOM 399 CA ARG A 26 -15.274 5.913 7.274 1.00 0.00 C ATOM 400 C ARG A 26 -14.100 5.908 8.254 1.00 0.00 C ATOM 401 O ARG A 26 -13.851 4.909 8.927 1.00 0.00 O ATOM 402 CB ARG A 26 -14.886 5.171 5.994 1.00 0.00 C ATOM 403 CG ARG A 26 -16.121 5.014 5.104 1.00 0.00 C ATOM 404 CD ARG A 26 -15.724 4.315 3.808 1.00 0.00 C ATOM 405 NE ARG A 26 -16.877 4.203 2.926 1.00 0.00 N ATOM 406 CZ ARG A 26 -16.751 3.736 1.689 1.00 0.00 C ATOM 407 NH1 ARG A 26 -17.798 3.647 0.918 1.00 0.00 N ATOM 408 NH2 ARG A 26 -15.579 3.368 1.246 1.00 0.00 N ATOM 0 H ARG A 26 -15.220 7.660 6.102 1.00 0.00 H new ATOM 0 HA ARG A 26 -16.119 5.411 7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.109 5.721 5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.473 4.192 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -16.886 4.436 5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -16.553 5.991 4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.930 4.874 3.313 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.327 3.324 4.027 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.796 4.488 3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.713 3.936 1.265 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.703 3.289 -0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.760 3.439 1.850 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.482 3.009 0.296 1.00 0.00 H new ATOM 422 N ASN A 27 -13.398 7.039 8.330 1.00 0.00 N ATOM 423 CA ASN A 27 -12.252 7.193 9.230 1.00 0.00 C ATOM 424 C ASN A 27 -11.077 6.325 8.782 1.00 0.00 C ATOM 425 O ASN A 27 -10.215 5.967 9.586 1.00 0.00 O ATOM 426 CB ASN A 27 -12.655 6.823 10.669 1.00 0.00 C ATOM 427 CG ASN A 27 -11.639 7.370 11.670 1.00 0.00 C ATOM 428 OD1 ASN A 27 -11.174 8.499 11.534 1.00 0.00 O ATOM 429 ND2 ASN A 27 -11.264 6.620 12.671 1.00 0.00 N ATOM 0 H ASN A 27 -13.605 7.869 7.774 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.938 8.236 9.199 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.644 7.225 10.890 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -12.722 5.739 10.766 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.582 6.971 13.344 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.653 5.683 12.780 1.00 0.00 H new ATOM 436 N LYS A 28 -11.045 5.998 7.491 1.00 0.00 N ATOM 437 CA LYS A 28 -9.969 5.176 6.925 1.00 0.00 C ATOM 438 C LYS A 28 -9.660 5.633 5.501 1.00 0.00 C ATOM 439 O LYS A 28 -10.412 6.403 4.903 1.00 0.00 O ATOM 440 CB LYS A 28 -10.384 3.688 6.923 1.00 0.00 C ATOM 441 CG LYS A 28 -11.871 3.558 6.511 1.00 0.00 C ATOM 442 CD LYS A 28 -12.183 2.132 5.981 1.00 0.00 C ATOM 443 CE LYS A 28 -11.892 2.044 4.474 1.00 0.00 C ATOM 444 NZ LYS A 28 -12.988 2.723 3.726 1.00 0.00 N ATOM 0 H LYS A 28 -11.751 6.288 6.814 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.075 5.292 7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.755 3.127 6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.233 3.258 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.509 3.779 7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.104 4.294 5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.581 1.398 6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.228 1.887 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.935 2.514 4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.816 1.001 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.037 2.342 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.893 2.557 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.799 3.745 3.686 1.00 0.00 H new ATOM 458 N HIS A 29 -8.544 5.151 4.963 1.00 0.00 N ATOM 459 CA HIS A 29 -8.129 5.503 3.609 1.00 0.00 C ATOM 460 C HIS A 29 -8.697 4.501 2.618 1.00 0.00 C ATOM 461 O HIS A 29 -9.078 3.393 2.986 1.00 0.00 O ATOM 462 CB HIS A 29 -6.601 5.492 3.522 1.00 0.00 C ATOM 463 CG HIS A 29 -6.044 6.603 4.370 1.00 0.00 C ATOM 464 ND1 HIS A 29 -6.007 6.529 5.753 1.00 0.00 N ATOM 465 CD2 HIS A 29 -5.509 7.822 4.044 1.00 0.00 C ATOM 466 CE1 HIS A 29 -5.466 7.675 6.205 1.00 0.00 C ATOM 467 NE2 HIS A 29 -5.143 8.498 5.204 1.00 0.00 N ATOM 0 H HIS A 29 -7.909 4.514 5.445 1.00 0.00 H new ATOM 0 HA HIS A 29 -8.502 6.499 3.369 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.213 4.531 3.861 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.284 5.616 2.487 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.390 8.200 3.040 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.312 7.902 7.250 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.719 9.423 5.275 1.00 0.00 H new ATOM 475 N VAL A 30 -8.754 4.901 1.353 1.00 0.00 N ATOM 476 CA VAL A 30 -9.276 4.039 0.296 1.00 0.00 C ATOM 477 C VAL A 30 -8.466 4.236 -0.971 1.00 0.00 C ATOM 478 O VAL A 30 -7.977 5.332 -1.241 1.00 0.00 O ATOM 479 CB VAL A 30 -10.744 4.377 0.023 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.584 4.047 1.257 1.00 0.00 C ATOM 481 CG2 VAL A 30 -10.878 5.869 -0.302 1.00 0.00 C ATOM 0 H VAL A 30 -8.445 5.819 1.033 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.202 3.000 0.616 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.097 3.789 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.629 4.288 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.493 2.985 1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.230 4.632 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.924 6.107 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.522 6.459 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.283 6.104 -1.184 1.00 0.00 H new ATOM 491 N LEU A 31 -8.333 3.168 -1.755 1.00 0.00 N ATOM 492 CA LEU A 31 -7.585 3.229 -3.011 1.00 0.00 C ATOM 493 C LEU A 31 -8.557 3.316 -4.177 1.00 0.00 C ATOM 494 O LEU A 31 -9.272 2.358 -4.467 1.00 0.00 O ATOM 495 CB LEU A 31 -6.713 1.966 -3.165 1.00 0.00 C ATOM 496 CG LEU A 31 -5.664 2.163 -4.297 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.383 2.796 -3.731 1.00 0.00 C ATOM 498 CD2 LEU A 31 -5.301 0.810 -4.927 1.00 0.00 C ATOM 0 H LEU A 31 -8.731 2.253 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.943 4.110 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.206 1.750 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.344 1.107 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.099 2.818 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.657 2.928 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.619 3.765 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.962 2.144 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.566 0.962 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.882 0.154 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.197 0.352 -5.347 1.00 0.00 H new ATOM 510 N LEU A 32 -8.579 4.458 -4.851 1.00 0.00 N ATOM 511 CA LEU A 32 -9.464 4.632 -5.996 1.00 0.00 C ATOM 512 C LEU A 32 -8.847 3.954 -7.210 1.00 0.00 C ATOM 513 O LEU A 32 -8.024 4.554 -7.900 1.00 0.00 O ATOM 514 CB LEU A 32 -9.654 6.126 -6.291 1.00 0.00 C ATOM 515 CG LEU A 32 -10.552 6.341 -7.529 1.00 0.00 C ATOM 516 CD1 LEU A 32 -11.928 5.673 -7.337 1.00 0.00 C ATOM 517 CD2 LEU A 32 -10.731 7.850 -7.744 1.00 0.00 C ATOM 0 H LEU A 32 -8.002 5.269 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.433 4.187 -5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.100 6.616 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.683 6.593 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.078 5.886 -8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.540 5.840 -8.223 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.794 4.602 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.424 6.104 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.363 8.021 -8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.200 8.290 -6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.757 8.312 -7.906 1.00 0.00 H new ATOM 529 N ALA A 33 -9.239 2.707 -7.477 1.00 0.00 N ATOM 530 CA ALA A 33 -8.699 1.979 -8.628 1.00 0.00 C ATOM 531 C ALA A 33 -9.630 2.152 -9.840 1.00 0.00 C ATOM 532 O ALA A 33 -10.847 2.220 -9.669 1.00 0.00 O ATOM 533 CB ALA A 33 -8.574 0.490 -8.298 1.00 0.00 C ATOM 0 H ALA A 33 -9.918 2.186 -6.922 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.713 2.381 -8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.172 -0.041 -9.161 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.905 0.361 -7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.557 0.088 -8.050 1.00 0.00 H new ATOM 539 N PRO A 34 -9.109 2.210 -11.055 1.00 0.00 N ATOM 540 CA PRO A 34 -9.959 2.357 -12.276 1.00 0.00 C ATOM 541 C PRO A 34 -11.178 1.428 -12.262 1.00 0.00 C ATOM 542 O PRO A 34 -12.248 1.790 -12.751 1.00 0.00 O ATOM 543 CB PRO A 34 -9.008 1.975 -13.432 1.00 0.00 C ATOM 544 CG PRO A 34 -7.633 2.309 -12.936 1.00 0.00 C ATOM 545 CD PRO A 34 -7.669 2.168 -11.402 1.00 0.00 C ATOM 0 HA PRO A 34 -10.370 3.363 -12.358 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.092 0.916 -13.677 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.246 2.532 -14.338 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.892 1.637 -13.369 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.353 3.322 -13.225 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.211 1.233 -11.079 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.121 2.976 -10.917 1.00 0.00 H new ATOM 553 N GLU A 35 -10.997 0.220 -11.728 1.00 0.00 N ATOM 554 CA GLU A 35 -12.085 -0.757 -11.687 1.00 0.00 C ATOM 555 C GLU A 35 -13.105 -0.392 -10.613 1.00 0.00 C ATOM 556 O GLU A 35 -14.303 -0.318 -10.889 1.00 0.00 O ATOM 557 CB GLU A 35 -11.505 -2.151 -11.394 1.00 0.00 C ATOM 558 CG GLU A 35 -12.575 -3.233 -11.596 1.00 0.00 C ATOM 559 CD GLU A 35 -12.915 -3.371 -13.078 1.00 0.00 C ATOM 560 OE1 GLU A 35 -12.106 -2.963 -13.894 1.00 0.00 O ATOM 561 OE2 GLU A 35 -13.983 -3.883 -13.373 1.00 0.00 O ATOM 0 H GLU A 35 -10.119 -0.103 -11.322 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.589 -0.758 -12.653 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.657 -2.343 -12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.131 -2.188 -10.371 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.216 -4.186 -11.208 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.472 -2.977 -11.032 1.00 0.00 H new ATOM 568 N ARG A 36 -12.623 -0.166 -9.394 1.00 0.00 N ATOM 569 CA ARG A 36 -13.502 0.182 -8.280 1.00 0.00 C ATOM 570 C ARG A 36 -12.690 0.520 -7.035 1.00 0.00 C ATOM 571 O ARG A 36 -11.597 -0.003 -6.833 1.00 0.00 O ATOM 572 CB ARG A 36 -14.438 -0.996 -7.972 1.00 0.00 C ATOM 573 CG ARG A 36 -15.379 -0.630 -6.816 1.00 0.00 C ATOM 574 CD ARG A 36 -16.445 -1.712 -6.654 1.00 0.00 C ATOM 575 NE ARG A 36 -17.423 -1.303 -5.656 1.00 0.00 N ATOM 576 CZ ARG A 36 -18.459 -2.074 -5.351 1.00 0.00 C ATOM 577 NH1 ARG A 36 -19.319 -1.683 -4.451 1.00 0.00 N ATOM 578 NH2 ARG A 36 -18.616 -3.222 -5.952 1.00 0.00 N ATOM 0 H ARG A 36 -11.633 -0.217 -9.152 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.088 1.056 -8.564 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.019 -1.251 -8.858 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.853 -1.878 -7.710 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.811 -0.525 -5.892 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.852 0.333 -7.011 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.940 -1.892 -7.608 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.979 -2.651 -6.355 1.00 0.00 H new ATOM 0 HE ARG A 36 -17.310 -0.407 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.195 -0.785 -3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.116 -2.275 -4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.943 -3.526 -6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.412 -3.815 -5.718 1.00 0.00 H new ATOM 592 N THR A 37 -13.246 1.384 -6.192 1.00 0.00 N ATOM 593 CA THR A 37 -12.572 1.770 -4.959 1.00 0.00 C ATOM 594 C THR A 37 -12.540 0.593 -3.994 1.00 0.00 C ATOM 595 O THR A 37 -13.559 -0.063 -3.774 1.00 0.00 O ATOM 596 CB THR A 37 -13.307 2.943 -4.304 1.00 0.00 C ATOM 597 OG1 THR A 37 -13.450 3.994 -5.245 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.515 3.436 -3.094 1.00 0.00 C ATOM 0 H THR A 37 -14.153 1.826 -6.338 1.00 0.00 H new ATOM 0 HA THR A 37 -11.552 2.071 -5.198 1.00 0.00 H new ATOM 0 HB THR A 37 -14.293 2.616 -3.975 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.267 4.499 -5.050 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.041 4.271 -2.630 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.412 2.626 -2.372 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.526 3.764 -3.415 1.00 0.00 H new ATOM 606 N PHE A 38 -11.362 0.324 -3.424 1.00 0.00 N ATOM 607 CA PHE A 38 -11.197 -0.792 -2.484 1.00 0.00 C ATOM 608 C PHE A 38 -11.056 -0.264 -1.053 1.00 0.00 C ATOM 609 O PHE A 38 -10.233 0.610 -0.782 1.00 0.00 O ATOM 610 CB PHE A 38 -9.946 -1.617 -2.882 1.00 0.00 C ATOM 611 CG PHE A 38 -10.180 -3.083 -2.566 1.00 0.00 C ATOM 612 CD1 PHE A 38 -10.949 -3.846 -3.448 1.00 0.00 C ATOM 613 CD2 PHE A 38 -9.665 -3.665 -1.399 1.00 0.00 C ATOM 614 CE1 PHE A 38 -11.207 -5.188 -3.174 1.00 0.00 C ATOM 615 CE2 PHE A 38 -9.920 -5.015 -1.124 1.00 0.00 C ATOM 616 CZ PHE A 38 -10.693 -5.777 -2.011 1.00 0.00 C ATOM 0 H PHE A 38 -10.511 0.860 -3.595 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.078 -1.433 -2.526 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.739 -1.492 -3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.072 -1.253 -2.342 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -11.345 -3.394 -4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.074 -3.075 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.803 -5.774 -3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.521 -5.468 -0.229 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.892 -6.817 -1.798 1.00 0.00 H new ATOM 626 N ASP A 39 -11.863 -0.807 -0.145 1.00 0.00 N ATOM 627 CA ASP A 39 -11.823 -0.395 1.254 1.00 0.00 C ATOM 628 C ASP A 39 -10.560 -0.937 1.920 1.00 0.00 C ATOM 629 O ASP A 39 -10.387 -2.149 2.046 1.00 0.00 O ATOM 630 CB ASP A 39 -13.066 -0.927 1.982 1.00 0.00 C ATOM 631 CG ASP A 39 -14.319 -0.218 1.468 1.00 0.00 C ATOM 632 OD1 ASP A 39 -14.175 0.801 0.812 1.00 0.00 O ATOM 633 OD2 ASP A 39 -15.403 -0.707 1.739 1.00 0.00 O ATOM 0 H ASP A 39 -12.550 -1.531 -0.353 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.812 0.694 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.157 -2.002 1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.964 -0.769 3.056 1.00 0.00 H new ATOM 638 N LEU A 40 -9.674 -0.031 2.336 1.00 0.00 N ATOM 639 CA LEU A 40 -8.414 -0.417 2.984 1.00 0.00 C ATOM 640 C LEU A 40 -8.191 0.420 4.234 1.00 0.00 C ATOM 641 O LEU A 40 -8.797 1.474 4.407 1.00 0.00 O ATOM 642 CB LEU A 40 -7.247 -0.209 2.013 1.00 0.00 C ATOM 643 CG LEU A 40 -7.384 -1.151 0.798 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.309 -0.796 -0.239 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.226 -2.630 1.228 1.00 0.00 C ATOM 0 H LEU A 40 -9.803 0.976 2.237 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.470 -1.469 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.226 0.828 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.303 -0.398 2.523 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.376 -1.024 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.401 -1.458 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.441 0.237 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.321 -0.914 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.326 -3.275 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.243 -2.776 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.997 -2.882 1.956 1.00 0.00 H new ATOM 657 N ASP A 41 -7.323 -0.065 5.117 1.00 0.00 N ATOM 658 CA ASP A 41 -7.031 0.638 6.363 1.00 0.00 C ATOM 659 C ASP A 41 -5.972 1.703 6.128 1.00 0.00 C ATOM 660 O ASP A 41 -5.227 1.652 5.150 1.00 0.00 O ATOM 661 CB ASP A 41 -6.521 -0.358 7.403 1.00 0.00 C ATOM 662 CG ASP A 41 -7.604 -1.383 7.716 1.00 0.00 C ATOM 663 OD1 ASP A 41 -8.766 -1.071 7.511 1.00 0.00 O ATOM 664 OD2 ASP A 41 -7.255 -2.468 8.152 1.00 0.00 O ATOM 0 H ASP A 41 -6.811 -0.939 4.994 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.944 1.114 6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.629 -0.861 7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.233 0.169 8.313 1.00 0.00 H new ATOM 669 N ASP A 42 -5.917 2.671 7.029 1.00 0.00 N ATOM 670 CA ASP A 42 -4.952 3.751 6.912 1.00 0.00 C ATOM 671 C ASP A 42 -3.527 3.213 6.961 1.00 0.00 C ATOM 672 O ASP A 42 -2.638 3.732 6.293 1.00 0.00 O ATOM 673 CB ASP A 42 -5.162 4.756 8.043 1.00 0.00 C ATOM 674 CG ASP A 42 -4.972 4.074 9.395 1.00 0.00 C ATOM 675 OD1 ASP A 42 -5.011 2.854 9.435 1.00 0.00 O ATOM 676 OD2 ASP A 42 -4.788 4.782 10.371 1.00 0.00 O ATOM 0 H ASP A 42 -6.526 2.731 7.845 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.102 4.244 5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.457 5.581 7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.163 5.182 7.980 1.00 0.00 H new ATOM 681 N ASN A 43 -3.319 2.171 7.756 1.00 0.00 N ATOM 682 CA ASN A 43 -1.994 1.575 7.892 1.00 0.00 C ATOM 683 C ASN A 43 -1.521 1.004 6.557 1.00 0.00 C ATOM 684 O ASN A 43 -0.349 1.121 6.202 1.00 0.00 O ATOM 685 CB ASN A 43 -2.032 0.462 8.946 1.00 0.00 C ATOM 686 CG ASN A 43 -2.248 1.060 10.334 1.00 0.00 C ATOM 687 OD1 ASN A 43 -1.681 2.103 10.655 1.00 0.00 O ATOM 688 ND2 ASN A 43 -3.041 0.460 11.176 1.00 0.00 N ATOM 0 H ASN A 43 -4.046 1.722 8.314 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.295 2.350 8.206 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.833 -0.240 8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.099 -0.101 8.925 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.193 0.855 12.104 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.510 -0.405 10.907 1.00 0.00 H new ATOM 695 N ALA A 44 -2.439 0.382 5.825 1.00 0.00 N ATOM 696 CA ALA A 44 -2.101 -0.209 4.534 1.00 0.00 C ATOM 697 C ALA A 44 -1.784 0.875 3.511 1.00 0.00 C ATOM 698 O ALA A 44 -0.925 0.695 2.652 1.00 0.00 O ATOM 699 CB ALA A 44 -3.267 -1.062 4.031 1.00 0.00 C ATOM 0 H ALA A 44 -3.415 0.274 6.100 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.219 -0.836 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.008 -1.500 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.472 -1.857 4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.153 -0.437 3.919 1.00 0.00 H new ATOM 705 N VAL A 45 -2.492 2.001 3.599 1.00 0.00 N ATOM 706 CA VAL A 45 -2.277 3.118 2.671 1.00 0.00 C ATOM 707 C VAL A 45 -1.201 4.067 3.204 1.00 0.00 C ATOM 708 O VAL A 45 -0.616 4.843 2.448 1.00 0.00 O ATOM 709 CB VAL A 45 -3.586 3.887 2.471 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.391 4.977 1.408 1.00 0.00 C ATOM 711 CG2 VAL A 45 -4.676 2.913 2.015 1.00 0.00 C ATOM 0 H VAL A 45 -3.216 2.166 4.298 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.942 2.712 1.716 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.881 4.355 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.325 5.521 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.613 5.668 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.096 4.517 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.611 3.455 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.378 2.447 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.816 2.143 2.773 1.00 0.00 H new ATOM 721 N ALA A 46 -0.949 4.002 4.510 1.00 0.00 N ATOM 722 CA ALA A 46 0.051 4.866 5.133 1.00 0.00 C ATOM 723 C ALA A 46 1.413 4.654 4.489 1.00 0.00 C ATOM 724 O ALA A 46 2.093 5.610 4.126 1.00 0.00 O ATOM 725 CB ALA A 46 0.139 4.573 6.637 1.00 0.00 C ATOM 0 H ALA A 46 -1.420 3.365 5.153 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.251 5.903 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.887 5.223 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.830 4.756 7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.423 3.532 6.789 1.00 0.00 H new ATOM 731 N VAL A 47 1.804 3.396 4.357 1.00 0.00 N ATOM 732 CA VAL A 47 3.087 3.066 3.758 1.00 0.00 C ATOM 733 C VAL A 47 3.148 3.550 2.315 1.00 0.00 C ATOM 734 O VAL A 47 4.182 4.035 1.861 1.00 0.00 O ATOM 735 CB VAL A 47 3.323 1.554 3.817 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.366 1.109 5.280 1.00 0.00 C ATOM 737 CG2 VAL A 47 2.198 0.806 3.088 1.00 0.00 C ATOM 0 H VAL A 47 1.254 2.590 4.655 1.00 0.00 H new ATOM 0 HA VAL A 47 3.871 3.570 4.324 1.00 0.00 H new ATOM 0 HB VAL A 47 4.270 1.323 3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.534 0.033 5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.176 1.626 5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.418 1.350 5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.382 -0.267 3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.243 1.034 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.169 1.119 2.044 1.00 0.00 H new ATOM 747 N LEU A 48 2.034 3.416 1.601 1.00 0.00 N ATOM 748 CA LEU A 48 1.967 3.846 0.206 1.00 0.00 C ATOM 749 C LEU A 48 2.020 5.365 0.109 1.00 0.00 C ATOM 750 O LEU A 48 2.535 5.918 -0.864 1.00 0.00 O ATOM 751 CB LEU A 48 0.680 3.336 -0.445 1.00 0.00 C ATOM 752 CG LEU A 48 0.548 1.818 -0.264 1.00 0.00 C ATOM 753 CD1 LEU A 48 -0.767 1.345 -0.893 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.732 1.096 -0.945 1.00 0.00 C ATOM 0 H LEU A 48 1.169 3.015 1.962 1.00 0.00 H new ATOM 0 HA LEU A 48 2.826 3.429 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.181 3.837 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.681 3.582 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 48 0.554 1.584 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.864 0.267 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.604 1.844 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.770 1.587 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.628 0.019 -0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.737 1.330 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.668 1.429 -0.496 1.00 0.00 H new ATOM 766 N LYS A 49 1.482 6.038 1.117 1.00 0.00 N ATOM 767 CA LYS A 49 1.484 7.498 1.145 1.00 0.00 C ATOM 768 C LYS A 49 2.757 8.023 1.807 1.00 0.00 C ATOM 769 O LYS A 49 3.199 9.137 1.522 1.00 0.00 O ATOM 770 CB LYS A 49 0.264 8.001 1.913 1.00 0.00 C ATOM 771 CG LYS A 49 0.213 9.534 1.852 1.00 0.00 C ATOM 772 CD LYS A 49 -1.129 10.034 2.400 1.00 0.00 C ATOM 773 CE LYS A 49 -1.275 9.682 3.887 1.00 0.00 C ATOM 774 NZ LYS A 49 -2.365 10.510 4.474 1.00 0.00 N ATOM 0 H LYS A 49 1.039 5.600 1.925 1.00 0.00 H new ATOM 0 HA LYS A 49 1.447 7.864 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.646 7.580 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.313 7.670 2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.033 9.957 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.344 9.870 0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.201 11.114 2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.947 9.588 1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.502 8.622 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.338 9.866 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.472 10.279 5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.128 11.518 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.257 10.313 3.977 1.00 0.00 H new ATOM 788 N LEU A 50 3.335 7.225 2.709 1.00 0.00 N ATOM 789 CA LEU A 50 4.546 7.645 3.417 1.00 0.00 C ATOM 790 C LEU A 50 5.751 7.603 2.487 1.00 0.00 C ATOM 791 O LEU A 50 6.674 8.405 2.620 1.00 0.00 O ATOM 792 CB LEU A 50 4.802 6.713 4.617 1.00 0.00 C ATOM 793 CG LEU A 50 6.036 7.174 5.431 1.00 0.00 C ATOM 794 CD1 LEU A 50 5.797 8.568 6.052 1.00 0.00 C ATOM 795 CD2 LEU A 50 6.299 6.143 6.537 1.00 0.00 C ATOM 0 H LEU A 50 2.990 6.299 2.963 1.00 0.00 H new ATOM 0 HA LEU A 50 4.401 8.667 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.923 6.696 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.957 5.694 4.263 1.00 0.00 H new ATOM 0 HG LEU A 50 6.900 7.248 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.678 8.870 6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.610 9.292 5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.934 8.527 6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.166 6.450 7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.427 6.077 7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.492 5.169 6.088 1.00 0.00 H new ATOM 807 N VAL A 51 5.740 6.662 1.548 1.00 0.00 N ATOM 808 CA VAL A 51 6.844 6.525 0.603 1.00 0.00 C ATOM 809 C VAL A 51 6.805 7.641 -0.436 1.00 0.00 C ATOM 810 O VAL A 51 5.792 7.848 -1.105 1.00 0.00 O ATOM 811 CB VAL A 51 6.788 5.151 -0.086 1.00 0.00 C ATOM 812 CG1 VAL A 51 5.441 4.963 -0.796 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.923 5.040 -1.111 1.00 0.00 C ATOM 0 H VAL A 51 4.985 5.988 1.421 1.00 0.00 H new ATOM 0 HA VAL A 51 7.781 6.603 1.155 1.00 0.00 H new ATOM 0 HB VAL A 51 6.900 4.376 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.417 3.986 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.633 5.027 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.314 5.742 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.880 4.065 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.815 5.824 -1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.882 5.151 -0.605 1.00 0.00 H new ATOM 823 N ASP A 52 7.918 8.357 -0.569 1.00 0.00 N ATOM 824 CA ASP A 52 8.009 9.444 -1.539 1.00 0.00 C ATOM 825 C ASP A 52 8.100 8.881 -2.958 1.00 0.00 C ATOM 826 O ASP A 52 7.466 9.389 -3.881 1.00 0.00 O ATOM 827 CB ASP A 52 9.232 10.313 -1.235 1.00 0.00 C ATOM 828 CG ASP A 52 9.035 11.057 0.087 1.00 0.00 C ATOM 829 OD1 ASP A 52 7.908 11.111 0.555 1.00 0.00 O ATOM 830 OD2 ASP A 52 10.015 11.558 0.613 1.00 0.00 O ATOM 0 H ASP A 52 8.765 8.206 -0.021 1.00 0.00 H new ATOM 0 HA ASP A 52 7.112 10.058 -1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.125 9.691 -1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.390 11.027 -2.043 1.00 0.00 H new ATOM 835 N GLY A 53 8.900 7.820 -3.121 1.00 0.00 N ATOM 836 CA GLY A 53 9.084 7.173 -4.430 1.00 0.00 C ATOM 837 C GLY A 53 9.214 5.663 -4.265 1.00 0.00 C ATOM 838 O GLY A 53 8.216 4.957 -4.136 1.00 0.00 O ATOM 0 H GLY A 53 9.431 7.390 -2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.238 7.403 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.975 7.570 -4.916 1.00 0.00 H new ATOM 842 N ARG A 54 10.459 5.166 -4.276 1.00 0.00 N ATOM 843 CA ARG A 54 10.706 3.726 -4.115 1.00 0.00 C ATOM 844 C ARG A 54 11.461 3.458 -2.816 1.00 0.00 C ATOM 845 O ARG A 54 12.669 3.674 -2.729 1.00 0.00 O ATOM 846 CB ARG A 54 11.563 3.250 -5.290 1.00 0.00 C ATOM 847 CG ARG A 54 10.802 3.481 -6.597 1.00 0.00 C ATOM 848 CD ARG A 54 11.700 3.127 -7.783 1.00 0.00 C ATOM 849 NE ARG A 54 11.983 1.691 -7.791 1.00 0.00 N ATOM 850 CZ ARG A 54 11.144 0.820 -8.349 1.00 0.00 C ATOM 851 NH1 ARG A 54 11.423 -0.452 -8.340 1.00 0.00 N ATOM 852 NH2 ARG A 54 10.036 1.242 -8.896 1.00 0.00 N ATOM 0 H ARG A 54 11.300 5.731 -4.393 1.00 0.00 H new ATOM 0 HA ARG A 54 9.754 3.196 -4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.510 3.790 -5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.801 2.192 -5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.899 2.871 -6.617 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.485 4.522 -6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.214 3.415 -8.715 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.632 3.689 -7.723 1.00 0.00 H new ATOM 0 HE ARG A 54 12.842 1.350 -7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.285 -0.782 -7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.780 -1.118 -8.768 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.814 2.238 -8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.393 0.576 -9.324 1.00 0.00 H new ATOM 866 N ASN A 55 10.737 2.955 -1.814 1.00 0.00 N ATOM 867 CA ASN A 55 11.322 2.607 -0.510 1.00 0.00 C ATOM 868 C ASN A 55 11.172 1.114 -0.248 1.00 0.00 C ATOM 869 O ASN A 55 10.238 0.479 -0.742 1.00 0.00 O ATOM 870 CB ASN A 55 10.651 3.419 0.607 1.00 0.00 C ATOM 871 CG ASN A 55 11.117 4.874 0.555 1.00 0.00 C ATOM 872 OD1 ASN A 55 12.117 5.184 -0.092 1.00 0.00 O ATOM 873 ND2 ASN A 55 10.448 5.790 1.201 1.00 0.00 N ATOM 0 H ASN A 55 9.735 2.777 -1.879 1.00 0.00 H new ATOM 0 HA ASN A 55 12.384 2.851 -0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.567 3.373 0.500 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.894 2.986 1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.754 6.762 1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.619 5.533 1.737 1.00 0.00 H new ATOM 880 N THR A 56 12.080 0.562 0.548 1.00 0.00 N ATOM 881 CA THR A 56 12.027 -0.856 0.896 1.00 0.00 C ATOM 882 C THR A 56 11.050 -1.066 2.048 1.00 0.00 C ATOM 883 O THR A 56 10.983 -0.254 2.972 1.00 0.00 O ATOM 884 CB THR A 56 13.420 -1.344 1.307 1.00 0.00 C ATOM 885 OG1 THR A 56 13.701 -0.904 2.628 1.00 0.00 O ATOM 886 CG2 THR A 56 14.465 -0.776 0.345 1.00 0.00 C ATOM 0 H THR A 56 12.860 1.071 0.964 1.00 0.00 H new ATOM 0 HA THR A 56 11.690 -1.424 0.029 1.00 0.00 H new ATOM 0 HB THR A 56 13.451 -2.433 1.271 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.591 -1.216 2.894 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.456 -1.123 0.638 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.247 -1.112 -0.669 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.437 0.313 0.380 1.00 0.00 H new ATOM 894 N VAL A 57 10.295 -2.154 1.987 1.00 0.00 N ATOM 895 CA VAL A 57 9.322 -2.452 3.030 1.00 0.00 C ATOM 896 C VAL A 57 10.006 -2.514 4.391 1.00 0.00 C ATOM 897 O VAL A 57 9.476 -2.023 5.386 1.00 0.00 O ATOM 898 CB VAL A 57 8.626 -3.783 2.730 1.00 0.00 C ATOM 899 CG1 VAL A 57 7.999 -3.716 1.335 1.00 0.00 C ATOM 900 CG2 VAL A 57 9.643 -4.934 2.782 1.00 0.00 C ATOM 0 H VAL A 57 10.336 -2.840 1.233 1.00 0.00 H new ATOM 0 HA VAL A 57 8.576 -1.657 3.051 1.00 0.00 H new ATOM 0 HB VAL A 57 7.852 -3.962 3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.501 -4.660 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.271 -2.906 1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.778 -3.534 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.138 -5.876 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.424 -4.764 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.090 -4.980 3.775 1.00 0.00 H new ATOM 910 N SER A 58 11.185 -3.125 4.424 1.00 0.00 N ATOM 911 CA SER A 58 11.931 -3.247 5.667 1.00 0.00 C ATOM 912 C SER A 58 12.223 -1.872 6.258 1.00 0.00 C ATOM 913 O SER A 58 12.073 -1.662 7.459 1.00 0.00 O ATOM 914 CB SER A 58 13.248 -3.979 5.417 1.00 0.00 C ATOM 915 OG SER A 58 13.933 -4.144 6.652 1.00 0.00 O ATOM 0 H SER A 58 11.640 -3.540 3.611 1.00 0.00 H new ATOM 0 HA SER A 58 11.325 -3.814 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.057 -4.950 4.961 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.865 -3.414 4.718 1.00 0.00 H new ATOM 0 HG SER A 58 14.778 -4.615 6.497 1.00 0.00 H new ATOM 921 N GLN A 59 12.642 -0.941 5.408 1.00 0.00 N ATOM 922 CA GLN A 59 12.954 0.407 5.865 1.00 0.00 C ATOM 923 C GLN A 59 11.702 1.091 6.406 1.00 0.00 C ATOM 924 O GLN A 59 11.738 1.732 7.455 1.00 0.00 O ATOM 925 CB GLN A 59 13.525 1.227 4.705 1.00 0.00 C ATOM 926 CG GLN A 59 13.933 2.617 5.204 1.00 0.00 C ATOM 927 CD GLN A 59 14.672 3.371 4.102 1.00 0.00 C ATOM 928 OE1 GLN A 59 15.172 2.760 3.157 1.00 0.00 O ATOM 929 NE2 GLN A 59 14.768 4.670 4.165 1.00 0.00 N ATOM 0 H GLN A 59 12.772 -1.093 4.408 1.00 0.00 H new ATOM 0 HA GLN A 59 13.692 0.341 6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.388 0.717 4.277 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.783 1.319 3.912 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.049 3.177 5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.571 2.524 6.083 1.00 0.00 H new ATOM 0 HE21 GLN A 59 14.353 5.175 4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.258 5.181 3.431 1.00 0.00 H new ATOM 938 N ILE A 60 10.598 0.953 5.682 1.00 0.00 N ATOM 939 CA ILE A 60 9.342 1.565 6.099 1.00 0.00 C ATOM 940 C ILE A 60 8.900 0.987 7.443 1.00 0.00 C ATOM 941 O ILE A 60 8.451 1.714 8.328 1.00 0.00 O ATOM 942 CB ILE A 60 8.259 1.315 5.035 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.645 2.047 3.739 1.00 0.00 C ATOM 944 CG2 ILE A 60 6.899 1.845 5.534 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.722 1.600 2.600 1.00 0.00 C ATOM 0 H ILE A 60 10.546 0.427 4.810 1.00 0.00 H new ATOM 0 HA ILE A 60 9.489 2.639 6.209 1.00 0.00 H new ATOM 0 HB ILE A 60 8.179 0.244 4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.567 3.125 3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.683 1.833 3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.138 1.664 4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.623 1.330 6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.974 2.915 5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.998 2.120 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.822 0.525 2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.689 1.837 2.855 1.00 0.00 H new ATOM 957 N ALA A 61 9.020 -0.331 7.577 1.00 0.00 N ATOM 958 CA ALA A 61 8.621 -1.011 8.805 1.00 0.00 C ATOM 959 C ALA A 61 9.271 -0.361 10.022 1.00 0.00 C ATOM 960 O ALA A 61 8.649 -0.241 11.077 1.00 0.00 O ATOM 961 CB ALA A 61 9.026 -2.486 8.731 1.00 0.00 C ATOM 0 H ALA A 61 9.389 -0.947 6.853 1.00 0.00 H new ATOM 0 HA ALA A 61 7.539 -0.931 8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.727 -2.992 9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.533 -2.956 7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.107 -2.561 8.611 1.00 0.00 H new ATOM 967 N GLN A 62 10.519 0.054 9.871 1.00 0.00 N ATOM 968 CA GLN A 62 11.231 0.690 10.969 1.00 0.00 C ATOM 969 C GLN A 62 10.558 2.003 11.352 1.00 0.00 C ATOM 970 O GLN A 62 10.267 2.243 12.520 1.00 0.00 O ATOM 971 CB GLN A 62 12.679 0.966 10.560 1.00 0.00 C ATOM 972 CG GLN A 62 13.411 -0.353 10.292 1.00 0.00 C ATOM 973 CD GLN A 62 13.589 -1.135 11.589 1.00 0.00 C ATOM 974 OE1 GLN A 62 13.881 -0.550 12.633 1.00 0.00 O ATOM 975 NE2 GLN A 62 13.438 -2.431 11.583 1.00 0.00 N ATOM 0 H GLN A 62 11.056 -0.037 9.008 1.00 0.00 H new ATOM 0 HA GLN A 62 11.214 0.017 11.826 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.700 1.591 9.667 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.188 1.520 11.348 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.848 -0.950 9.575 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.384 -0.152 9.845 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.196 -2.912 10.717 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.562 -2.963 12.445 1.00 0.00 H new ATOM 984 N ILE A 63 10.319 2.855 10.362 1.00 0.00 N ATOM 985 CA ILE A 63 9.692 4.145 10.620 1.00 0.00 C ATOM 986 C ILE A 63 8.270 3.954 11.133 1.00 0.00 C ATOM 987 O ILE A 63 7.875 4.554 12.133 1.00 0.00 O ATOM 988 CB ILE A 63 9.663 4.982 9.336 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.092 5.129 8.788 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.084 6.371 9.644 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.054 5.758 7.393 1.00 0.00 C ATOM 0 H ILE A 63 10.547 2.679 9.384 1.00 0.00 H new ATOM 0 HA ILE A 63 10.276 4.665 11.379 1.00 0.00 H new ATOM 0 HB ILE A 63 9.039 4.487 8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.686 5.749 9.460 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.576 4.153 8.743 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.063 6.967 8.732 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.071 6.265 10.032 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.707 6.868 10.388 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.070 5.859 7.012 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.476 5.122 6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.589 6.742 7.450 1.00 0.00 H new ATOM 1003 N LEU A 64 7.500 3.123 10.435 1.00 0.00 N ATOM 1004 CA LEU A 64 6.118 2.867 10.825 1.00 0.00 C ATOM 1005 C LEU A 64 6.072 2.082 12.135 1.00 0.00 C ATOM 1006 O LEU A 64 5.190 2.293 12.962 1.00 0.00 O ATOM 1007 CB LEU A 64 5.387 2.084 9.721 1.00 0.00 C ATOM 1008 CG LEU A 64 3.878 1.977 10.035 1.00 0.00 C ATOM 1009 CD1 LEU A 64 3.215 3.375 10.030 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.214 1.080 8.979 1.00 0.00 C ATOM 0 H LEU A 64 7.807 2.619 9.603 1.00 0.00 H new ATOM 0 HA LEU A 64 5.618 3.825 10.969 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.529 2.580 8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.816 1.086 9.631 1.00 0.00 H new ATOM 0 HG LEU A 64 3.749 1.545 11.027 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.153 3.275 10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.687 4.004 10.785 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.338 3.832 9.048 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.148 0.997 9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.355 1.517 7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.667 0.089 9.006 1.00 0.00 H new ATOM 1022 N GLY A 65 7.017 1.164 12.305 1.00 0.00 N ATOM 1023 CA GLY A 65 7.064 0.340 13.510 1.00 0.00 C ATOM 1024 C GLY A 65 7.200 1.199 14.764 1.00 0.00 C ATOM 1025 O GLY A 65 6.549 0.940 15.776 1.00 0.00 O ATOM 0 H GLY A 65 7.757 0.971 11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.159 -0.263 13.576 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.904 -0.352 13.448 1.00 0.00 H new ATOM 1029 N GLN A 66 8.043 2.220 14.689 1.00 0.00 N ATOM 1030 CA GLN A 66 8.248 3.111 15.826 1.00 0.00 C ATOM 1031 C GLN A 66 6.966 3.879 16.139 1.00 0.00 C ATOM 1032 O GLN A 66 6.696 4.204 17.294 1.00 0.00 O ATOM 1033 CB GLN A 66 9.384 4.097 15.520 1.00 0.00 C ATOM 1034 CG GLN A 66 10.728 3.359 15.520 1.00 0.00 C ATOM 1035 CD GLN A 66 11.840 4.310 15.090 1.00 0.00 C ATOM 1036 OE1 GLN A 66 11.590 5.495 14.865 1.00 0.00 O ATOM 1037 NE2 GLN A 66 13.058 3.862 14.960 1.00 0.00 N ATOM 0 H GLN A 66 8.592 2.452 13.861 1.00 0.00 H new ATOM 0 HA GLN A 66 8.518 2.511 16.695 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.218 4.568 14.551 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.396 4.894 16.264 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.938 2.966 16.515 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.685 2.506 14.843 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.263 2.880 15.147 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.806 4.493 14.672 1.00 0.00 H new ATOM 1046 N THR A 67 6.182 4.167 15.106 1.00 0.00 N ATOM 1047 CA THR A 67 4.936 4.900 15.299 1.00 0.00 C ATOM 1048 C THR A 67 3.985 4.110 16.194 1.00 0.00 C ATOM 1049 O THR A 67 3.431 4.648 17.153 1.00 0.00 O ATOM 1050 CB THR A 67 4.271 5.165 13.943 1.00 0.00 C ATOM 1051 OG1 THR A 67 5.224 5.731 13.054 1.00 0.00 O ATOM 1052 CG2 THR A 67 3.095 6.127 14.122 1.00 0.00 C ATOM 0 H THR A 67 6.383 3.909 14.140 1.00 0.00 H new ATOM 0 HA THR A 67 5.163 5.851 15.782 1.00 0.00 H new ATOM 0 HB THR A 67 3.902 4.226 13.530 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.802 5.900 12.186 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.626 6.312 13.156 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.365 5.687 14.801 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.455 7.069 14.537 1.00 0.00 H new ATOM 1060 N TYR A 68 3.806 2.825 15.881 1.00 0.00 N ATOM 1061 CA TYR A 68 2.925 1.954 16.668 1.00 0.00 C ATOM 1062 C TYR A 68 3.728 1.193 17.719 1.00 0.00 C ATOM 1063 O TYR A 68 3.164 0.453 18.526 1.00 0.00 O ATOM 1064 CB TYR A 68 2.216 0.958 15.740 1.00 0.00 C ATOM 1065 CG TYR A 68 1.245 1.702 14.843 1.00 0.00 C ATOM 1066 CD1 TYR A 68 1.674 2.226 13.618 1.00 0.00 C ATOM 1067 CD2 TYR A 68 -0.087 1.875 15.248 1.00 0.00 C ATOM 1068 CE1 TYR A 68 0.772 2.918 12.800 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -0.985 2.566 14.428 1.00 0.00 C ATOM 1070 CZ TYR A 68 -0.555 3.088 13.205 1.00 0.00 C ATOM 1071 OH TYR A 68 -1.440 3.772 12.398 1.00 0.00 O ATOM 0 H TYR A 68 4.257 2.364 15.091 1.00 0.00 H new ATOM 0 HA TYR A 68 2.183 2.573 17.173 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.949 0.423 15.136 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.684 0.212 16.329 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.699 2.097 13.304 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.419 1.474 16.194 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.102 3.321 11.854 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.011 2.696 14.740 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.461 3.357 11.510 1.00 0.00 H new ATOM 1081 N ASP A 69 5.044 1.382 17.709 1.00 0.00 N ATOM 1082 CA ASP A 69 5.906 0.709 18.674 1.00 0.00 C ATOM 1083 C ASP A 69 5.676 -0.797 18.643 1.00 0.00 C ATOM 1084 O ASP A 69 5.249 -1.385 19.635 1.00 0.00 O ATOM 1085 CB ASP A 69 5.626 1.238 20.083 1.00 0.00 C ATOM 1086 CG ASP A 69 6.646 0.678 21.071 1.00 0.00 C ATOM 1087 OD1 ASP A 69 7.421 -0.181 20.677 1.00 0.00 O ATOM 1088 OD2 ASP A 69 6.639 1.115 22.209 1.00 0.00 O ATOM 0 H ASP A 69 5.533 1.989 17.051 1.00 0.00 H new ATOM 0 HA ASP A 69 6.943 0.912 18.407 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.668 2.327 20.085 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.619 0.957 20.391 1.00 0.00 H new ATOM 1093 N ALA A 70 5.952 -1.420 17.496 1.00 0.00 N ATOM 1094 CA ALA A 70 5.762 -2.868 17.342 1.00 0.00 C ATOM 1095 C ALA A 70 6.927 -3.471 16.564 1.00 0.00 C ATOM 1096 O ALA A 70 7.660 -2.763 15.874 1.00 0.00 O ATOM 1097 CB ALA A 70 4.449 -3.141 16.607 1.00 0.00 C ATOM 0 H ALA A 70 6.306 -0.950 16.663 1.00 0.00 H new ATOM 0 HA ALA A 70 5.723 -3.328 18.330 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.312 -4.216 16.495 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.619 -2.727 17.179 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.479 -2.674 15.622 1.00 0.00 H new ATOM 1103 N ASP A 71 7.104 -4.781 16.693 1.00 0.00 N ATOM 1104 CA ASP A 71 8.197 -5.457 16.008 1.00 0.00 C ATOM 1105 C ASP A 71 8.131 -5.191 14.490 1.00 0.00 C ATOM 1106 O ASP A 71 7.177 -5.621 13.835 1.00 0.00 O ATOM 1107 CB ASP A 71 8.113 -6.962 16.275 1.00 0.00 C ATOM 1108 CG ASP A 71 8.286 -7.234 17.769 1.00 0.00 C ATOM 1109 OD1 ASP A 71 9.151 -6.619 18.371 1.00 0.00 O ATOM 1110 OD2 ASP A 71 7.547 -8.053 18.289 1.00 0.00 O ATOM 0 H ASP A 71 6.512 -5.389 17.259 1.00 0.00 H new ATOM 0 HA ASP A 71 9.143 -5.070 16.387 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.152 -7.348 15.935 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.884 -7.484 15.709 1.00 0.00 H new ATOM 1115 N PRO A 72 9.101 -4.501 13.907 1.00 0.00 N ATOM 1116 CA PRO A 72 9.093 -4.212 12.438 1.00 0.00 C ATOM 1117 C PRO A 72 8.808 -5.458 11.591 1.00 0.00 C ATOM 1118 O PRO A 72 8.147 -5.370 10.560 1.00 0.00 O ATOM 1119 CB PRO A 72 10.518 -3.679 12.163 1.00 0.00 C ATOM 1120 CG PRO A 72 10.954 -3.069 13.458 1.00 0.00 C ATOM 1121 CD PRO A 72 10.292 -3.904 14.565 1.00 0.00 C ATOM 0 HA PRO A 72 8.304 -3.509 12.171 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.189 -4.482 11.858 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.517 -2.943 11.359 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.040 -3.088 13.552 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.647 -2.025 13.520 1.00 0.00 H new ATOM 0 HD2 PRO A 72 10.967 -4.673 14.941 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.008 -3.284 15.416 1.00 0.00 H new ATOM 1129 N ALA A 73 9.321 -6.606 12.030 1.00 0.00 N ATOM 1130 CA ALA A 73 9.127 -7.858 11.297 1.00 0.00 C ATOM 1131 C ALA A 73 7.650 -8.105 11.011 1.00 0.00 C ATOM 1132 O ALA A 73 7.284 -8.582 9.937 1.00 0.00 O ATOM 1133 CB ALA A 73 9.691 -9.022 12.114 1.00 0.00 C ATOM 0 H ALA A 73 9.871 -6.696 12.884 1.00 0.00 H new ATOM 0 HA ALA A 73 9.652 -7.782 10.345 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.546 -9.954 11.568 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.756 -8.864 12.286 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.174 -9.079 13.072 1.00 0.00 H new ATOM 1139 N ILE A 74 6.803 -7.785 11.978 1.00 0.00 N ATOM 1140 CA ILE A 74 5.363 -7.970 11.818 1.00 0.00 C ATOM 1141 C ILE A 74 4.794 -6.950 10.836 1.00 0.00 C ATOM 1142 O ILE A 74 3.912 -7.265 10.037 1.00 0.00 O ATOM 1143 CB ILE A 74 4.651 -7.841 13.171 1.00 0.00 C ATOM 1144 CG1 ILE A 74 5.260 -8.850 14.158 1.00 0.00 C ATOM 1145 CG2 ILE A 74 3.155 -8.136 12.993 1.00 0.00 C ATOM 1146 CD1 ILE A 74 4.689 -8.616 15.561 1.00 0.00 C ATOM 0 H ILE A 74 7.083 -7.397 12.879 1.00 0.00 H new ATOM 0 HA ILE A 74 5.193 -8.971 11.422 1.00 0.00 H new ATOM 0 HB ILE A 74 4.775 -6.829 13.557 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.043 -9.867 13.832 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.345 -8.746 14.175 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.649 -8.044 13.954 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.725 -7.425 12.288 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.027 -9.149 12.611 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.125 -9.334 16.256 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.929 -7.604 15.887 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.607 -8.743 15.539 1.00 0.00 H new ATOM 1158 N ILE A 75 5.282 -5.715 10.925 1.00 0.00 N ATOM 1159 CA ILE A 75 4.792 -4.646 10.065 1.00 0.00 C ATOM 1160 C ILE A 75 5.018 -4.984 8.592 1.00 0.00 C ATOM 1161 O ILE A 75 4.101 -4.875 7.780 1.00 0.00 O ATOM 1162 CB ILE A 75 5.534 -3.347 10.397 1.00 0.00 C ATOM 1163 CG1 ILE A 75 5.468 -3.069 11.911 1.00 0.00 C ATOM 1164 CG2 ILE A 75 4.916 -2.176 9.623 1.00 0.00 C ATOM 1165 CD1 ILE A 75 4.017 -3.024 12.415 1.00 0.00 C ATOM 0 H ILE A 75 6.011 -5.433 11.580 1.00 0.00 H new ATOM 0 HA ILE A 75 3.722 -4.528 10.238 1.00 0.00 H new ATOM 0 HB ILE A 75 6.578 -3.455 10.104 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.016 -3.843 12.448 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.959 -2.121 12.129 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.450 -1.257 9.866 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.991 -2.367 8.553 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.867 -2.070 9.900 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.010 -2.826 13.487 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.476 -2.233 11.896 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.534 -3.982 12.220 1.00 0.00 H new ATOM 1177 N GLU A 76 6.240 -5.395 8.252 1.00 0.00 N ATOM 1178 CA GLU A 76 6.553 -5.742 6.870 1.00 0.00 C ATOM 1179 C GLU A 76 5.749 -6.967 6.443 1.00 0.00 C ATOM 1180 O GLU A 76 5.218 -7.016 5.336 1.00 0.00 O ATOM 1181 CB GLU A 76 8.056 -6.015 6.705 1.00 0.00 C ATOM 1182 CG GLU A 76 8.506 -7.097 7.686 1.00 0.00 C ATOM 1183 CD GLU A 76 10.022 -7.248 7.646 1.00 0.00 C ATOM 1184 OE1 GLU A 76 10.696 -6.236 7.547 1.00 0.00 O ATOM 1185 OE2 GLU A 76 10.485 -8.373 7.719 1.00 0.00 O ATOM 0 H GLU A 76 7.017 -5.494 8.905 1.00 0.00 H new ATOM 0 HA GLU A 76 6.284 -4.899 6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.266 -6.330 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.621 -5.099 6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.186 -6.839 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.032 -8.046 7.434 1.00 0.00 H new ATOM 1192 N ALA A 77 5.666 -7.950 7.337 1.00 0.00 N ATOM 1193 CA ALA A 77 4.928 -9.178 7.063 1.00 0.00 C ATOM 1194 C ALA A 77 3.434 -8.904 6.924 1.00 0.00 C ATOM 1195 O ALA A 77 2.698 -9.718 6.375 1.00 0.00 O ATOM 1196 CB ALA A 77 5.160 -10.193 8.184 1.00 0.00 C ATOM 0 H ALA A 77 6.102 -7.918 8.259 1.00 0.00 H new ATOM 0 HA ALA A 77 5.294 -9.585 6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.604 -11.106 7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.223 -10.423 8.252 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.818 -9.774 9.130 1.00 0.00 H new ATOM 1202 N ASP A 78 2.986 -7.768 7.453 1.00 0.00 N ATOM 1203 CA ASP A 78 1.571 -7.400 7.391 1.00 0.00 C ATOM 1204 C ASP A 78 1.209 -6.830 6.016 1.00 0.00 C ATOM 1205 O ASP A 78 0.213 -7.225 5.411 1.00 0.00 O ATOM 1206 CB ASP A 78 1.258 -6.360 8.472 1.00 0.00 C ATOM 1207 CG ASP A 78 -0.242 -6.082 8.517 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.943 -6.561 7.640 1.00 0.00 O ATOM 1209 OD2 ASP A 78 -0.669 -5.396 9.430 1.00 0.00 O ATOM 0 H ASP A 78 3.579 -7.087 7.928 1.00 0.00 H new ATOM 0 HA ASP A 78 0.979 -8.299 7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.598 -6.720 9.443 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.800 -5.437 8.267 1.00 0.00 H new ATOM 1214 N ILE A 79 2.021 -5.882 5.534 1.00 0.00 N ATOM 1215 CA ILE A 79 1.779 -5.239 4.235 1.00 0.00 C ATOM 1216 C ILE A 79 2.223 -6.136 3.083 1.00 0.00 C ATOM 1217 O ILE A 79 1.588 -6.167 2.030 1.00 0.00 O ATOM 1218 CB ILE A 79 2.504 -3.887 4.175 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.003 -4.095 4.433 1.00 0.00 C ATOM 1220 CG2 ILE A 79 1.925 -2.950 5.244 1.00 0.00 C ATOM 1221 CD1 ILE A 79 4.744 -2.759 4.352 1.00 0.00 C ATOM 0 H ILE A 79 2.850 -5.543 6.022 1.00 0.00 H new ATOM 0 HA ILE A 79 0.707 -5.072 4.131 1.00 0.00 H new ATOM 0 HB ILE A 79 2.365 -3.444 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.152 -4.542 5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.412 -4.791 3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.439 -1.990 5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.861 -2.801 5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.063 -3.393 6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.806 -2.920 4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.610 -2.328 3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.345 -2.076 5.102 1.00 0.00 H new ATOM 1233 N LEU A 80 3.321 -6.864 3.288 1.00 0.00 N ATOM 1234 CA LEU A 80 3.843 -7.764 2.259 1.00 0.00 C ATOM 1235 C LEU A 80 2.701 -8.571 1.607 1.00 0.00 C ATOM 1236 O LEU A 80 2.481 -8.458 0.405 1.00 0.00 O ATOM 1237 CB LEU A 80 4.914 -8.710 2.875 1.00 0.00 C ATOM 1238 CG LEU A 80 6.347 -8.109 2.782 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.279 -8.872 3.741 1.00 0.00 C ATOM 1240 CD2 LEU A 80 6.900 -8.252 1.348 1.00 0.00 C ATOM 0 H LEU A 80 3.863 -6.849 4.152 1.00 0.00 H new ATOM 0 HA LEU A 80 4.315 -7.168 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.669 -8.903 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.889 -9.670 2.359 1.00 0.00 H new ATOM 0 HG LEU A 80 6.300 -7.053 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.284 -8.455 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.908 -8.777 4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.305 -9.925 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.903 -7.827 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.940 -9.307 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.248 -7.723 0.652 1.00 0.00 H new ATOM 1252 N PRO A 81 1.969 -9.363 2.358 1.00 0.00 N ATOM 1253 CA PRO A 81 0.842 -10.167 1.790 1.00 0.00 C ATOM 1254 C PRO A 81 -0.245 -9.269 1.192 1.00 0.00 C ATOM 1255 O PRO A 81 -0.910 -9.648 0.231 1.00 0.00 O ATOM 1256 CB PRO A 81 0.319 -10.975 3.001 1.00 0.00 C ATOM 1257 CG PRO A 81 0.744 -10.171 4.188 1.00 0.00 C ATOM 1258 CD PRO A 81 2.106 -9.591 3.805 1.00 0.00 C ATOM 0 HA PRO A 81 1.156 -10.808 0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.764 -11.090 2.965 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.746 -11.978 3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.026 -9.381 4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.816 -10.793 5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.317 -8.666 4.342 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.918 -10.283 4.030 1.00 0.00 H new ATOM 1266 N MET A 82 -0.423 -8.080 1.767 1.00 0.00 N ATOM 1267 CA MET A 82 -1.434 -7.148 1.275 1.00 0.00 C ATOM 1268 C MET A 82 -1.074 -6.646 -0.124 1.00 0.00 C ATOM 1269 O MET A 82 -1.935 -6.538 -0.996 1.00 0.00 O ATOM 1270 CB MET A 82 -1.557 -5.956 2.235 1.00 0.00 C ATOM 1271 CG MET A 82 -2.778 -5.100 1.868 1.00 0.00 C ATOM 1272 SD MET A 82 -4.294 -6.001 2.288 1.00 0.00 S ATOM 1273 CE MET A 82 -4.475 -5.402 3.987 1.00 0.00 C ATOM 0 H MET A 82 0.114 -7.743 2.566 1.00 0.00 H new ATOM 0 HA MET A 82 -2.388 -7.673 1.222 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.650 -6.314 3.260 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.652 -5.349 2.190 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.745 -4.152 2.404 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.765 -4.865 0.804 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.365 -5.844 4.436 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.597 -5.684 4.568 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.573 -4.316 3.982 1.00 0.00 H new ATOM 1283 N LEU A 83 0.197 -6.327 -0.324 1.00 0.00 N ATOM 1284 CA LEU A 83 0.654 -5.821 -1.613 1.00 0.00 C ATOM 1285 C LEU A 83 0.450 -6.876 -2.697 1.00 0.00 C ATOM 1286 O LEU A 83 0.020 -6.564 -3.807 1.00 0.00 O ATOM 1287 CB LEU A 83 2.140 -5.450 -1.515 1.00 0.00 C ATOM 1288 CG LEU A 83 2.337 -4.259 -0.551 1.00 0.00 C ATOM 1289 CD1 LEU A 83 3.828 -4.125 -0.216 1.00 0.00 C ATOM 1290 CD2 LEU A 83 1.847 -2.942 -1.188 1.00 0.00 C ATOM 0 H LEU A 83 0.927 -6.408 0.384 1.00 0.00 H new ATOM 0 HA LEU A 83 0.075 -4.936 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.713 -6.308 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.523 -5.193 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 83 1.756 -4.447 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.974 -3.286 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.178 -5.042 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.393 -3.952 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.998 -2.121 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.410 -2.748 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.787 -3.026 -1.426 1.00 0.00 H new ATOM 1302 N ALA A 84 0.758 -8.124 -2.368 1.00 0.00 N ATOM 1303 CA ALA A 84 0.597 -9.210 -3.325 1.00 0.00 C ATOM 1304 C ALA A 84 -0.872 -9.378 -3.702 1.00 0.00 C ATOM 1305 O ALA A 84 -1.200 -9.640 -4.858 1.00 0.00 O ATOM 1306 CB ALA A 84 1.130 -10.511 -2.728 1.00 0.00 C ATOM 0 H ALA A 84 1.117 -8.407 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 84 1.162 -8.967 -4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.007 -11.319 -3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.187 -10.396 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.577 -10.748 -1.819 1.00 0.00 H new ATOM 1312 N GLY A 85 -1.752 -9.225 -2.718 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.183 -9.365 -2.962 1.00 0.00 C ATOM 1314 C GLY A 85 -3.688 -8.280 -3.906 1.00 0.00 C ATOM 1315 O GLY A 85 -4.502 -8.542 -4.790 1.00 0.00 O ATOM 0 H GLY A 85 -1.503 -9.006 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.388 -10.347 -3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.723 -9.309 -2.017 1.00 0.00 H new ATOM 1319 N LEU A 86 -3.204 -7.061 -3.707 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.613 -5.937 -4.540 1.00 0.00 C ATOM 1321 C LEU A 86 -3.083 -6.106 -5.963 1.00 0.00 C ATOM 1322 O LEU A 86 -3.776 -5.808 -6.932 1.00 0.00 O ATOM 1323 CB LEU A 86 -3.080 -4.632 -3.936 1.00 0.00 C ATOM 1324 CG LEU A 86 -3.758 -4.350 -2.577 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -3.001 -3.218 -1.870 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -5.235 -3.939 -2.767 1.00 0.00 C ATOM 0 H LEU A 86 -2.530 -6.825 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.702 -5.903 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.000 -4.700 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.266 -3.805 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.732 -5.259 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.471 -3.010 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.965 -3.517 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.028 -2.321 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.687 -3.747 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.286 -3.036 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.775 -4.744 -3.265 1.00 0.00 H new ATOM 1338 N ALA A 87 -1.853 -6.590 -6.084 1.00 0.00 N ATOM 1339 CA ALA A 87 -1.249 -6.792 -7.399 1.00 0.00 C ATOM 1340 C ALA A 87 -2.166 -7.627 -8.290 1.00 0.00 C ATOM 1341 O ALA A 87 -2.237 -7.412 -9.500 1.00 0.00 O ATOM 1342 CB ALA A 87 0.100 -7.494 -7.243 1.00 0.00 C ATOM 0 H ALA A 87 -1.258 -6.848 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.102 -5.819 -7.868 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.548 -7.643 -8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.761 -6.880 -6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.046 -8.460 -6.760 1.00 0.00 H new ATOM 1348 N GLN A 88 -2.868 -8.576 -7.683 1.00 0.00 N ATOM 1349 CA GLN A 88 -3.783 -9.436 -8.429 1.00 0.00 C ATOM 1350 C GLN A 88 -4.917 -8.616 -9.044 1.00 0.00 C ATOM 1351 O GLN A 88 -5.565 -9.054 -9.995 1.00 0.00 O ATOM 1352 CB GLN A 88 -4.369 -10.506 -7.504 1.00 0.00 C ATOM 1353 CG GLN A 88 -3.256 -11.446 -7.039 1.00 0.00 C ATOM 1354 CD GLN A 88 -3.824 -12.491 -6.089 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -5.033 -12.535 -5.862 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -3.018 -13.343 -5.517 1.00 0.00 N ATOM 0 H GLN A 88 -2.823 -8.770 -6.683 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.222 -9.916 -9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.845 -10.036 -6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.141 -11.070 -8.027 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.798 -11.934 -7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.472 -10.877 -6.540 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.017 -13.304 -5.707 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.389 -14.048 -4.880 1.00 0.00 H new ATOM 1365 N LYS A 89 -5.162 -7.426 -8.491 1.00 0.00 N ATOM 1366 CA LYS A 89 -6.233 -6.550 -8.983 1.00 0.00 C ATOM 1367 C LYS A 89 -5.689 -5.579 -10.024 1.00 0.00 C ATOM 1368 O LYS A 89 -6.429 -4.754 -10.562 1.00 0.00 O ATOM 1369 CB LYS A 89 -6.823 -5.759 -7.814 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.426 -6.732 -6.801 1.00 0.00 C ATOM 1371 CD LYS A 89 -7.935 -5.954 -5.587 1.00 0.00 C ATOM 1372 CE LYS A 89 -8.424 -6.932 -4.518 1.00 0.00 C ATOM 1373 NZ LYS A 89 -9.646 -7.630 -5.006 1.00 0.00 N ATOM 0 H LYS A 89 -4.636 -7.046 -7.704 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.006 -7.166 -9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.049 -5.156 -7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.587 -5.071 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.244 -7.289 -7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.677 -7.461 -6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.139 -5.328 -5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.746 -5.288 -5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.644 -7.658 -4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.642 -6.398 -3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.416 -7.503 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.931 -7.231 -5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.445 -8.644 -5.118 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.394 -5.690 -10.302 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.745 -4.826 -11.282 1.00 0.00 C ATOM 1389 C ARG A 90 -3.837 -3.366 -10.849 1.00 0.00 C ATOM 1390 O ARG A 90 -4.375 -2.528 -11.569 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.401 -5.002 -12.661 1.00 0.00 C ATOM 1392 CG ARG A 90 -3.513 -4.390 -13.750 1.00 0.00 C ATOM 1393 CD ARG A 90 -4.195 -4.554 -15.106 1.00 0.00 C ATOM 1394 NE ARG A 90 -4.290 -5.965 -15.450 1.00 0.00 N ATOM 1395 CZ ARG A 90 -4.828 -6.358 -16.599 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -4.912 -7.629 -16.878 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -5.270 -5.471 -17.448 1.00 0.00 N ATOM 0 H ARG A 90 -3.773 -6.370 -9.863 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.694 -5.108 -11.348 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.560 -6.061 -12.864 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.381 -4.525 -12.670 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.339 -3.334 -13.543 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.539 -4.878 -13.758 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.190 -4.111 -15.077 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.631 -4.022 -15.872 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.937 -6.665 -14.797 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.565 -8.321 -16.214 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.325 -7.931 -17.760 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.202 -4.477 -17.229 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.683 -5.772 -18.331 1.00 0.00 H new ATOM 1411 N VAL A 91 -3.313 -3.067 -9.663 1.00 0.00 N ATOM 1412 CA VAL A 91 -3.335 -1.700 -9.134 1.00 0.00 C ATOM 1413 C VAL A 91 -2.032 -1.394 -8.408 1.00 0.00 C ATOM 1414 O VAL A 91 -1.928 -0.393 -7.695 1.00 0.00 O ATOM 1415 CB VAL A 91 -4.516 -1.528 -8.175 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -5.823 -1.800 -8.924 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -4.383 -2.512 -7.008 1.00 0.00 C ATOM 0 H VAL A 91 -2.868 -3.749 -9.049 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.446 -1.005 -9.967 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.521 -0.509 -7.788 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.665 -1.678 -8.243 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.921 -1.097 -9.752 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.815 -2.819 -9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.226 -2.386 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.376 -3.532 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.453 -2.319 -6.473 1.00 0.00 H new ATOM 1427 N LEU A 92 -1.031 -2.264 -8.592 1.00 0.00 N ATOM 1428 CA LEU A 92 0.283 -2.087 -7.950 1.00 0.00 C ATOM 1429 C LEU A 92 1.399 -2.318 -8.947 1.00 0.00 C ATOM 1430 O LEU A 92 1.283 -3.129 -9.866 1.00 0.00 O ATOM 1431 CB LEU A 92 0.435 -3.060 -6.770 1.00 0.00 C ATOM 1432 CG LEU A 92 1.760 -2.817 -6.010 1.00 0.00 C ATOM 1433 CD1 LEU A 92 1.797 -1.401 -5.389 1.00 0.00 C ATOM 1434 CD2 LEU A 92 1.886 -3.874 -4.904 1.00 0.00 C ATOM 0 H LEU A 92 -1.103 -3.096 -9.178 1.00 0.00 H new ATOM 0 HA LEU A 92 0.346 -1.063 -7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.406 -2.941 -6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.406 -4.086 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 92 2.592 -2.894 -6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.740 -1.260 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.708 -0.655 -6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.969 -1.289 -4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.816 -3.719 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.042 -3.786 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.890 -4.869 -5.350 1.00 0.00 H new ATOM 1446 N GLU A 93 2.489 -1.579 -8.755 1.00 0.00 N ATOM 1447 CA GLU A 93 3.647 -1.676 -9.631 1.00 0.00 C ATOM 1448 C GLU A 93 4.927 -1.419 -8.843 1.00 0.00 C ATOM 1449 O GLU A 93 4.977 -0.542 -7.979 1.00 0.00 O ATOM 1450 CB GLU A 93 3.508 -0.644 -10.757 1.00 0.00 C ATOM 1451 CG GLU A 93 4.564 -0.888 -11.835 1.00 0.00 C ATOM 1452 CD GLU A 93 4.255 -2.174 -12.603 1.00 0.00 C ATOM 1453 OE1 GLU A 93 3.176 -2.713 -12.411 1.00 0.00 O ATOM 1454 OE2 GLU A 93 5.107 -2.606 -13.361 1.00 0.00 O ATOM 0 H GLU A 93 2.592 -0.905 -7.997 1.00 0.00 H new ATOM 0 HA GLU A 93 3.699 -2.679 -10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.511 -0.705 -11.194 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.617 0.362 -10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.592 -0.043 -12.524 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.551 -0.959 -11.377 1.00 0.00 H new ATOM 1461 N ARG A 94 5.957 -2.193 -9.155 1.00 0.00 N ATOM 1462 CA ARG A 94 7.241 -2.057 -8.483 1.00 0.00 C ATOM 1463 C ARG A 94 7.835 -0.682 -8.757 1.00 0.00 C ATOM 1464 O ARG A 94 7.965 0.085 -7.818 1.00 0.00 O ATOM 1465 CB ARG A 94 8.200 -3.137 -8.989 1.00 0.00 C ATOM 1466 CG ARG A 94 7.628 -4.519 -8.669 1.00 0.00 C ATOM 1467 CD ARG A 94 8.567 -5.600 -9.208 1.00 0.00 C ATOM 1468 NE ARG A 94 8.593 -5.563 -10.667 1.00 0.00 N ATOM 1469 CZ ARG A 94 9.346 -6.407 -11.364 1.00 0.00 C ATOM 1470 NH1 ARG A 94 9.360 -6.345 -12.667 1.00 0.00 N ATOM 1471 NH2 ARG A 94 10.070 -7.300 -10.746 1.00 0.00 N ATOM 1472 OXT ARG A 94 8.148 -0.415 -9.906 1.00 0.00 O ATOM 0 H ARG A 94 5.928 -2.921 -9.869 1.00 0.00 H new ATOM 0 HA ARG A 94 7.092 -2.172 -7.409 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.347 -3.033 -10.064 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.177 -3.019 -8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.506 -4.633 -7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.639 -4.627 -9.115 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.572 -5.448 -8.815 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.237 -6.581 -8.868 1.00 0.00 H new ATOM 0 HE ARG A 94 8.022 -4.876 -11.161 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.793 -5.649 -13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.938 -6.993 -13.202 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.058 -7.350 -9.727 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.648 -7.948 -11.282 1.00 0.00 H new TER 1486 ARG A 94