USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0196 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.131 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 10 MET CE :methyl -142:sc= -0.091 (180deg=-0.274) USER MOD Single : A 14 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.022) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0.108 (180deg=0.104) USER MOD Single : A 28 TYR OH : rot 150:sc= -0.0423 USER MOD Single : A 31 THR OG1 : rot 85:sc= 1.23 USER MOD Single : A 35 GLN : amide:sc= -0.828 X(o=-0.83,f=-1.1) USER MOD Single : A 37 MET CE :methyl -111:sc= -6.7 (180deg=-10.7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.6) USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00534) USER MOD Single : A 50 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.1!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0.319 USER MOD Single : A 61 SER OG : rot 180:sc= -0.446 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.803 8.985 18.155 1.00 0.00 N ATOM 2 CA GLY A 1 -14.145 9.519 18.015 1.00 0.00 C ATOM 3 C GLY A 1 -14.234 10.592 16.948 1.00 0.00 C ATOM 4 O GLY A 1 -13.543 10.525 15.931 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.845 7.947 18.197 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.227 9.276 17.339 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.374 9.350 19.029 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.831 8.709 17.769 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.469 9.933 18.970 1.00 0.00 H new ATOM 8 N SER A 2 -15.089 11.583 17.177 1.00 0.00 N ATOM 9 CA SER A 2 -15.270 12.672 16.225 1.00 0.00 C ATOM 10 C SER A 2 -15.681 13.956 16.939 1.00 0.00 C ATOM 11 O SER A 2 -16.164 13.923 18.070 1.00 0.00 O ATOM 12 CB SER A 2 -16.325 12.296 15.182 1.00 0.00 C ATOM 13 OG SER A 2 -16.621 13.394 14.337 1.00 0.00 O ATOM 0 H SER A 2 -15.668 11.654 18.014 1.00 0.00 H new ATOM 0 HA SER A 2 -14.318 12.844 15.723 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.967 11.459 14.583 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.234 11.963 15.683 1.00 0.00 H new ATOM 0 HG SER A 2 -17.296 13.127 13.679 1.00 0.00 H new ATOM 19 N SER A 3 -15.484 15.087 16.269 1.00 0.00 N ATOM 20 CA SER A 3 -15.829 16.384 16.840 1.00 0.00 C ATOM 21 C SER A 3 -17.132 16.910 16.246 1.00 0.00 C ATOM 22 O SER A 3 -17.932 17.541 16.935 1.00 0.00 O ATOM 23 CB SER A 3 -14.702 17.389 16.596 1.00 0.00 C ATOM 24 OG SER A 3 -14.522 17.627 15.211 1.00 0.00 O ATOM 0 H SER A 3 -15.087 15.132 15.330 1.00 0.00 H new ATOM 0 HA SER A 3 -15.965 16.255 17.914 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.931 18.327 17.103 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.775 17.012 17.027 1.00 0.00 H new ATOM 0 HG SER A 3 -13.797 18.274 15.082 1.00 0.00 H new ATOM 30 N GLY A 4 -17.338 16.644 14.959 1.00 0.00 N ATOM 31 CA GLY A 4 -18.545 17.097 14.292 1.00 0.00 C ATOM 32 C GLY A 4 -19.759 16.271 14.667 1.00 0.00 C ATOM 33 O GLY A 4 -19.674 15.049 14.788 1.00 0.00 O ATOM 0 H GLY A 4 -16.691 16.123 14.367 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.727 18.141 14.546 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.399 17.053 13.213 1.00 0.00 H new ATOM 37 N SER A 5 -20.893 16.939 14.854 1.00 0.00 N ATOM 38 CA SER A 5 -22.129 16.260 15.223 1.00 0.00 C ATOM 39 C SER A 5 -22.714 15.510 14.030 1.00 0.00 C ATOM 40 O SER A 5 -23.605 16.011 13.344 1.00 0.00 O ATOM 41 CB SER A 5 -23.150 17.267 15.757 1.00 0.00 C ATOM 42 OG SER A 5 -24.332 16.615 16.188 1.00 0.00 O ATOM 0 H SER A 5 -20.981 17.950 14.756 1.00 0.00 H new ATOM 0 HA SER A 5 -21.898 15.538 16.006 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.716 17.825 16.587 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.393 17.991 14.979 1.00 0.00 H new ATOM 0 HG SER A 5 -24.968 17.280 16.526 1.00 0.00 H new ATOM 48 N SER A 6 -22.206 14.306 13.789 1.00 0.00 N ATOM 49 CA SER A 6 -22.674 13.487 12.677 1.00 0.00 C ATOM 50 C SER A 6 -23.160 12.127 13.171 1.00 0.00 C ATOM 51 O SER A 6 -22.364 11.218 13.402 1.00 0.00 O ATOM 52 CB SER A 6 -21.557 13.299 11.649 1.00 0.00 C ATOM 53 OG SER A 6 -21.563 14.345 10.692 1.00 0.00 O ATOM 0 H SER A 6 -21.470 13.876 14.349 1.00 0.00 H new ATOM 0 HA SER A 6 -23.510 14.003 12.205 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.593 13.271 12.156 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.680 12.340 11.145 1.00 0.00 H new ATOM 0 HG SER A 6 -20.839 14.203 10.047 1.00 0.00 H new ATOM 59 N GLY A 7 -24.473 11.997 13.329 1.00 0.00 N ATOM 60 CA GLY A 7 -25.044 10.746 13.794 1.00 0.00 C ATOM 61 C GLY A 7 -25.727 9.973 12.684 1.00 0.00 C ATOM 62 O GLY A 7 -26.948 9.821 12.684 1.00 0.00 O ATOM 0 H GLY A 7 -25.152 12.735 13.143 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.257 10.131 14.230 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.764 10.951 14.586 1.00 0.00 H new ATOM 66 N ASN A 8 -24.937 9.482 11.734 1.00 0.00 N ATOM 67 CA ASN A 8 -25.474 8.722 10.611 1.00 0.00 C ATOM 68 C ASN A 8 -24.746 7.389 10.460 1.00 0.00 C ATOM 69 O ASN A 8 -25.363 6.325 10.499 1.00 0.00 O ATOM 70 CB ASN A 8 -25.355 9.530 9.318 1.00 0.00 C ATOM 71 CG ASN A 8 -26.321 10.699 9.276 1.00 0.00 C ATOM 72 OD1 ASN A 8 -27.499 10.557 9.601 1.00 0.00 O ATOM 73 ND2 ASN A 8 -25.824 11.863 8.874 1.00 0.00 N ATOM 0 H ASN A 8 -23.924 9.597 11.720 1.00 0.00 H new ATOM 0 HA ASN A 8 -26.527 8.521 10.810 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -24.335 9.901 9.217 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -25.542 8.877 8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -26.426 12.685 8.825 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -24.840 11.935 8.614 1.00 0.00 H new ATOM 80 N GLY A 9 -23.430 7.456 10.287 1.00 0.00 N ATOM 81 CA GLY A 9 -22.639 6.249 10.133 1.00 0.00 C ATOM 82 C GLY A 9 -21.214 6.539 9.709 1.00 0.00 C ATOM 83 O GLY A 9 -20.916 6.612 8.517 1.00 0.00 O ATOM 0 H GLY A 9 -22.897 8.325 10.251 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -22.630 5.702 11.076 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -23.110 5.602 9.393 1.00 0.00 H new ATOM 87 N MET A 10 -20.329 6.707 10.687 1.00 0.00 N ATOM 88 CA MET A 10 -18.927 6.992 10.408 1.00 0.00 C ATOM 89 C MET A 10 -18.079 5.730 10.539 1.00 0.00 C ATOM 90 O MET A 10 -17.114 5.540 9.798 1.00 0.00 O ATOM 91 CB MET A 10 -18.405 8.072 11.358 1.00 0.00 C ATOM 92 CG MET A 10 -18.708 9.487 10.893 1.00 0.00 C ATOM 93 SD MET A 10 -17.528 10.083 9.666 1.00 0.00 S ATOM 94 CE MET A 10 -18.530 10.033 8.182 1.00 0.00 C ATOM 0 H MET A 10 -20.559 6.651 11.679 1.00 0.00 H new ATOM 0 HA MET A 10 -18.853 7.354 9.382 1.00 0.00 H new ATOM 0 HB2 MET A 10 -18.844 7.920 12.344 1.00 0.00 H new ATOM 0 HB3 MET A 10 -17.327 7.957 11.468 1.00 0.00 H new ATOM 0 HG2 MET A 10 -19.712 9.519 10.471 1.00 0.00 H new ATOM 0 HG3 MET A 10 -18.702 10.157 11.753 1.00 0.00 H new ATOM 0 HE1 MET A 10 -17.919 9.705 7.341 1.00 0.00 H new ATOM 0 HE2 MET A 10 -19.356 9.336 8.324 1.00 0.00 H new ATOM 0 HE3 MET A 10 -18.926 11.028 7.977 1.00 0.00 H new ATOM 104 N ASP A 11 -18.445 4.872 11.485 1.00 0.00 N ATOM 105 CA ASP A 11 -17.719 3.629 11.712 1.00 0.00 C ATOM 106 C ASP A 11 -17.970 2.638 10.579 1.00 0.00 C ATOM 107 O ASP A 11 -17.061 1.927 10.152 1.00 0.00 O ATOM 108 CB ASP A 11 -18.131 3.009 13.048 1.00 0.00 C ATOM 109 CG ASP A 11 -17.923 3.955 14.214 1.00 0.00 C ATOM 110 OD1 ASP A 11 -17.132 4.911 14.068 1.00 0.00 O ATOM 111 OD2 ASP A 11 -18.550 3.741 15.272 1.00 0.00 O ATOM 0 H ASP A 11 -19.241 5.015 12.107 1.00 0.00 H new ATOM 0 HA ASP A 11 -16.654 3.860 11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -19.181 2.719 13.002 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -17.556 2.099 13.215 1.00 0.00 H new ATOM 116 N GLU A 12 -19.208 2.598 10.098 1.00 0.00 N ATOM 117 CA GLU A 12 -19.578 1.693 9.016 1.00 0.00 C ATOM 118 C GLU A 12 -18.631 1.847 7.830 1.00 0.00 C ATOM 119 O GLU A 12 -18.299 0.872 7.157 1.00 0.00 O ATOM 120 CB GLU A 12 -21.018 1.956 8.571 1.00 0.00 C ATOM 121 CG GLU A 12 -21.337 3.430 8.382 1.00 0.00 C ATOM 122 CD GLU A 12 -22.664 3.654 7.683 1.00 0.00 C ATOM 123 OE1 GLU A 12 -23.710 3.592 8.363 1.00 0.00 O ATOM 124 OE2 GLU A 12 -22.657 3.892 6.458 1.00 0.00 O ATOM 0 H GLU A 12 -19.972 3.181 10.440 1.00 0.00 H new ATOM 0 HA GLU A 12 -19.502 0.672 9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -21.202 1.430 7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -21.700 1.537 9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -21.355 3.922 9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.542 3.899 7.803 1.00 0.00 H new ATOM 131 N GLU A 13 -18.200 3.080 7.581 1.00 0.00 N ATOM 132 CA GLU A 13 -17.293 3.363 6.475 1.00 0.00 C ATOM 133 C GLU A 13 -15.893 2.832 6.771 1.00 0.00 C ATOM 134 O GLU A 13 -15.246 2.242 5.906 1.00 0.00 O ATOM 135 CB GLU A 13 -17.233 4.868 6.207 1.00 0.00 C ATOM 136 CG GLU A 13 -16.149 5.268 5.221 1.00 0.00 C ATOM 137 CD GLU A 13 -16.550 6.451 4.360 1.00 0.00 C ATOM 138 OE1 GLU A 13 -17.230 6.236 3.335 1.00 0.00 O ATOM 139 OE2 GLU A 13 -16.183 7.591 4.713 1.00 0.00 O ATOM 0 H GLU A 13 -18.464 3.898 8.130 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.675 2.859 5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -18.199 5.199 5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.066 5.390 7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.239 5.514 5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.916 4.419 4.579 1.00 0.00 H new ATOM 146 N GLN A 14 -15.432 3.048 7.999 1.00 0.00 N ATOM 147 CA GLN A 14 -14.109 2.593 8.409 1.00 0.00 C ATOM 148 C GLN A 14 -13.973 1.085 8.233 1.00 0.00 C ATOM 149 O GLN A 14 -12.890 0.579 7.937 1.00 0.00 O ATOM 150 CB GLN A 14 -13.844 2.975 9.866 1.00 0.00 C ATOM 151 CG GLN A 14 -13.913 4.471 10.126 1.00 0.00 C ATOM 152 CD GLN A 14 -13.301 4.862 11.456 1.00 0.00 C ATOM 153 OE1 GLN A 14 -13.928 5.548 12.264 1.00 0.00 O ATOM 154 NE2 GLN A 14 -12.068 4.426 11.692 1.00 0.00 N ATOM 0 H GLN A 14 -15.955 3.535 8.727 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.371 3.082 7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.570 2.470 10.503 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.859 2.610 10.155 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.397 4.999 9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.954 4.792 10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.585 3.860 10.994 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.605 4.657 12.571 1.00 0.00 H new ATOM 163 N ARG A 15 -15.079 0.371 8.419 1.00 0.00 N ATOM 164 CA ARG A 15 -15.083 -1.081 8.282 1.00 0.00 C ATOM 165 C ARG A 15 -14.508 -1.502 6.932 1.00 0.00 C ATOM 166 O ARG A 15 -13.576 -2.302 6.867 1.00 0.00 O ATOM 167 CB ARG A 15 -16.504 -1.625 8.435 1.00 0.00 C ATOM 168 CG ARG A 15 -17.012 -1.607 9.868 1.00 0.00 C ATOM 169 CD ARG A 15 -18.392 -2.237 9.978 1.00 0.00 C ATOM 170 NE ARG A 15 -18.887 -2.234 11.351 1.00 0.00 N ATOM 171 CZ ARG A 15 -18.467 -3.079 12.286 1.00 0.00 C ATOM 172 NH1 ARG A 15 -17.548 -3.989 11.997 1.00 0.00 N ATOM 173 NH2 ARG A 15 -18.965 -3.013 13.514 1.00 0.00 N ATOM 0 H ARG A 15 -15.983 0.774 8.665 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.455 -1.497 9.070 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.178 -1.037 7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.535 -2.648 8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.313 -2.144 10.510 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.050 -0.579 10.229 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.090 -1.695 9.340 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.353 -3.262 9.609 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.594 -1.545 11.607 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -17.161 -4.042 11.055 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -17.227 -4.637 12.717 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -19.671 -2.313 13.741 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -18.642 -3.662 14.231 1.00 0.00 H new ATOM 187 N GLN A 16 -15.072 -0.956 5.859 1.00 0.00 N ATOM 188 CA GLN A 16 -14.616 -1.276 4.512 1.00 0.00 C ATOM 189 C GLN A 16 -13.121 -1.014 4.366 1.00 0.00 C ATOM 190 O GLN A 16 -12.404 -1.782 3.724 1.00 0.00 O ATOM 191 CB GLN A 16 -15.393 -0.457 3.480 1.00 0.00 C ATOM 192 CG GLN A 16 -16.889 -0.725 3.491 1.00 0.00 C ATOM 193 CD GLN A 16 -17.566 -0.311 2.199 1.00 0.00 C ATOM 194 OE1 GLN A 16 -17.878 -1.148 1.352 1.00 0.00 O ATOM 195 NE2 GLN A 16 -17.797 0.987 2.041 1.00 0.00 N ATOM 0 H GLN A 16 -15.844 -0.291 5.897 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.799 -2.336 4.336 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.221 0.603 3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.001 -0.674 2.486 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -17.063 -1.787 3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.344 -0.188 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -17.522 1.646 2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -18.250 1.325 1.192 1.00 0.00 H new ATOM 204 N LYS A 17 -12.655 0.076 4.966 1.00 0.00 N ATOM 205 CA LYS A 17 -11.245 0.441 4.905 1.00 0.00 C ATOM 206 C LYS A 17 -10.388 -0.573 5.656 1.00 0.00 C ATOM 207 O LYS A 17 -9.227 -0.795 5.310 1.00 0.00 O ATOM 208 CB LYS A 17 -11.032 1.838 5.491 1.00 0.00 C ATOM 209 CG LYS A 17 -12.023 2.870 4.980 1.00 0.00 C ATOM 210 CD LYS A 17 -11.607 4.280 5.362 1.00 0.00 C ATOM 211 CE LYS A 17 -11.881 5.266 4.237 1.00 0.00 C ATOM 212 NZ LYS A 17 -10.771 5.296 3.244 1.00 0.00 N ATOM 0 H LYS A 17 -13.234 0.723 5.501 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.941 0.443 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.106 1.782 6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.021 2.171 5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.102 2.794 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.012 2.659 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.146 4.589 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.545 4.293 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.810 4.996 3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.022 6.263 4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.955 6.039 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.874 5.495 3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.708 4.374 2.766 1.00 0.00 H new ATOM 226 N ARG A 18 -10.967 -1.185 6.683 1.00 0.00 N ATOM 227 CA ARG A 18 -10.256 -2.176 7.482 1.00 0.00 C ATOM 228 C ARG A 18 -10.324 -3.553 6.828 1.00 0.00 C ATOM 229 O ARG A 18 -9.418 -4.371 6.986 1.00 0.00 O ATOM 230 CB ARG A 18 -10.843 -2.240 8.893 1.00 0.00 C ATOM 231 CG ARG A 18 -10.920 -0.888 9.583 1.00 0.00 C ATOM 232 CD ARG A 18 -9.932 -0.793 10.735 1.00 0.00 C ATOM 233 NE ARG A 18 -8.601 -1.259 10.355 1.00 0.00 N ATOM 234 CZ ARG A 18 -7.590 -1.369 11.209 1.00 0.00 C ATOM 235 NH1 ARG A 18 -7.756 -1.048 12.484 1.00 0.00 N ATOM 236 NH2 ARG A 18 -6.408 -1.800 10.787 1.00 0.00 N ATOM 0 H ARG A 18 -11.927 -1.012 6.982 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.210 -1.874 7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.843 -2.670 8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.237 -2.914 9.499 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.715 -0.098 8.861 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.931 -0.726 9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.871 0.241 11.075 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.297 -1.384 11.575 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.439 -1.514 9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.663 -0.715 12.812 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.977 -1.134 13.137 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.276 -2.047 9.806 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.632 -1.884 11.443 1.00 0.00 H new ATOM 250 N ARG A 19 -11.404 -3.801 6.094 1.00 0.00 N ATOM 251 CA ARG A 19 -11.591 -5.079 5.418 1.00 0.00 C ATOM 252 C ARG A 19 -10.594 -5.239 4.274 1.00 0.00 C ATOM 253 O ARG A 19 -10.000 -6.303 4.100 1.00 0.00 O ATOM 254 CB ARG A 19 -13.020 -5.192 4.883 1.00 0.00 C ATOM 255 CG ARG A 19 -14.056 -5.452 5.964 1.00 0.00 C ATOM 256 CD ARG A 19 -14.094 -6.920 6.358 1.00 0.00 C ATOM 257 NE ARG A 19 -15.282 -7.245 7.144 1.00 0.00 N ATOM 258 CZ ARG A 19 -15.501 -8.438 7.685 1.00 0.00 C ATOM 259 NH1 ARG A 19 -14.618 -9.414 7.527 1.00 0.00 N ATOM 260 NH2 ARG A 19 -16.606 -8.657 8.387 1.00 0.00 N ATOM 0 H ARG A 19 -12.162 -3.134 5.952 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.417 -5.875 6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.277 -4.271 4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.062 -5.998 4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -13.829 -4.845 6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.039 -5.144 5.609 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.074 -7.537 5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -13.201 -7.164 6.933 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.981 -6.516 7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.767 -9.250 6.989 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.789 -10.329 7.944 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -17.288 -7.909 8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.773 -9.574 8.802 1.00 0.00 H new ATOM 274 N ARG A 20 -10.417 -4.176 3.496 1.00 0.00 N ATOM 275 CA ARG A 20 -9.493 -4.200 2.368 1.00 0.00 C ATOM 276 C ARG A 20 -8.072 -4.501 2.835 1.00 0.00 C ATOM 277 O ARG A 20 -7.347 -5.262 2.194 1.00 0.00 O ATOM 278 CB ARG A 20 -9.525 -2.862 1.628 1.00 0.00 C ATOM 279 CG ARG A 20 -10.836 -2.596 0.905 1.00 0.00 C ATOM 280 CD ARG A 20 -10.920 -1.160 0.413 1.00 0.00 C ATOM 281 NE ARG A 20 -10.417 -1.019 -0.951 1.00 0.00 N ATOM 282 CZ ARG A 20 -11.047 -1.492 -2.020 1.00 0.00 C ATOM 283 NH1 ARG A 20 -12.199 -2.135 -1.884 1.00 0.00 N ATOM 284 NH2 ARG A 20 -10.525 -1.324 -3.228 1.00 0.00 N ATOM 0 H ARG A 20 -10.901 -3.288 3.626 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.809 -4.992 1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.344 -2.058 2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.710 -2.837 0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.931 -3.277 0.060 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.671 -2.801 1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.956 -0.823 0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.348 -0.514 1.079 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.533 -0.530 -1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.603 -2.267 -0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.681 -2.497 -2.707 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.639 -0.831 -3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.010 -1.688 -4.048 1.00 0.00 H new ATOM 298 N ILE A 21 -7.682 -3.900 3.954 1.00 0.00 N ATOM 299 CA ILE A 21 -6.349 -4.104 4.506 1.00 0.00 C ATOM 300 C ILE A 21 -6.132 -5.564 4.890 1.00 0.00 C ATOM 301 O ILE A 21 -5.044 -6.109 4.704 1.00 0.00 O ATOM 302 CB ILE A 21 -6.110 -3.218 5.743 1.00 0.00 C ATOM 303 CG1 ILE A 21 -6.296 -1.743 5.384 1.00 0.00 C ATOM 304 CG2 ILE A 21 -4.718 -3.461 6.306 1.00 0.00 C ATOM 305 CD1 ILE A 21 -6.490 -0.848 6.588 1.00 0.00 C ATOM 0 H ILE A 21 -8.271 -3.268 4.496 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.638 -3.825 3.728 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.841 -3.481 6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.426 -1.401 4.824 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.158 -1.644 4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.563 -2.828 7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.620 -4.508 6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.972 -3.222 5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.616 0.183 6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.377 -1.164 7.137 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.617 -0.918 7.237 1.00 0.00 H new ATOM 317 N GLU A 22 -7.174 -6.191 5.426 1.00 0.00 N ATOM 318 CA GLU A 22 -7.096 -7.588 5.836 1.00 0.00 C ATOM 319 C GLU A 22 -6.768 -8.486 4.646 1.00 0.00 C ATOM 320 O GLU A 22 -5.706 -9.106 4.597 1.00 0.00 O ATOM 321 CB GLU A 22 -8.415 -8.030 6.474 1.00 0.00 C ATOM 322 CG GLU A 22 -8.551 -7.626 7.932 1.00 0.00 C ATOM 323 CD GLU A 22 -7.681 -8.461 8.852 1.00 0.00 C ATOM 324 OE1 GLU A 22 -7.924 -9.682 8.950 1.00 0.00 O ATOM 325 OE2 GLU A 22 -6.759 -7.894 9.474 1.00 0.00 O ATOM 0 H GLU A 22 -8.082 -5.754 5.586 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.296 -7.681 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.243 -7.603 5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.501 -9.114 6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.284 -6.575 8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.593 -7.723 8.236 1.00 0.00 H new ATOM 332 N VAL A 23 -7.689 -8.551 3.689 1.00 0.00 N ATOM 333 CA VAL A 23 -7.499 -9.372 2.500 1.00 0.00 C ATOM 334 C VAL A 23 -6.158 -9.076 1.837 1.00 0.00 C ATOM 335 O VAL A 23 -5.411 -9.990 1.489 1.00 0.00 O ATOM 336 CB VAL A 23 -8.627 -9.146 1.476 1.00 0.00 C ATOM 337 CG1 VAL A 23 -8.461 -10.078 0.285 1.00 0.00 C ATOM 338 CG2 VAL A 23 -9.986 -9.340 2.130 1.00 0.00 C ATOM 0 H VAL A 23 -8.574 -8.045 3.715 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.518 -10.412 2.826 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.567 -8.119 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.267 -9.904 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.502 -9.886 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.495 -11.113 0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.772 -9.176 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.060 -10.355 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.102 -8.628 2.947 1.00 0.00 H new ATOM 348 N ALA A 24 -5.860 -7.792 1.664 1.00 0.00 N ATOM 349 CA ALA A 24 -4.608 -7.375 1.045 1.00 0.00 C ATOM 350 C ALA A 24 -3.409 -7.947 1.793 1.00 0.00 C ATOM 351 O ALA A 24 -2.516 -8.546 1.191 1.00 0.00 O ATOM 352 CB ALA A 24 -4.526 -5.857 0.993 1.00 0.00 C ATOM 0 H ALA A 24 -6.469 -7.023 1.944 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.587 -7.764 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.586 -5.559 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.359 -5.467 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.574 -5.455 2.005 1.00 0.00 H new ATOM 358 N LEU A 25 -3.392 -7.758 3.108 1.00 0.00 N ATOM 359 CA LEU A 25 -2.301 -8.254 3.939 1.00 0.00 C ATOM 360 C LEU A 25 -2.103 -9.753 3.740 1.00 0.00 C ATOM 361 O LEU A 25 -0.984 -10.219 3.525 1.00 0.00 O ATOM 362 CB LEU A 25 -2.580 -7.956 5.413 1.00 0.00 C ATOM 363 CG LEU A 25 -2.109 -6.594 5.923 1.00 0.00 C ATOM 364 CD1 LEU A 25 -2.502 -6.404 7.380 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.604 -6.451 5.752 1.00 0.00 C ATOM 0 H LEU A 25 -4.122 -7.264 3.622 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.387 -7.742 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.654 -8.033 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.106 -8.731 6.016 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.597 -5.819 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.158 -5.429 7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.586 -6.461 7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.043 -7.186 7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.287 -5.475 6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.098 -7.234 6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.348 -6.541 4.696 1.00 0.00 H new ATOM 377 N ILE A 26 -3.198 -10.503 3.810 1.00 0.00 N ATOM 378 CA ILE A 26 -3.145 -11.949 3.634 1.00 0.00 C ATOM 379 C ILE A 26 -2.504 -12.318 2.300 1.00 0.00 C ATOM 380 O ILE A 26 -1.478 -12.996 2.260 1.00 0.00 O ATOM 381 CB ILE A 26 -4.549 -12.577 3.707 1.00 0.00 C ATOM 382 CG1 ILE A 26 -5.208 -12.253 5.049 1.00 0.00 C ATOM 383 CG2 ILE A 26 -4.468 -14.082 3.501 1.00 0.00 C ATOM 384 CD1 ILE A 26 -6.708 -12.444 5.048 1.00 0.00 C ATOM 0 H ILE A 26 -4.132 -10.133 3.987 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.537 -12.343 4.448 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.161 -12.153 2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.770 -12.885 5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.982 -11.221 5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.469 -14.511 3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.036 -14.293 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.842 -14.522 4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.107 -12.196 6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.157 -11.792 4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.942 -13.482 4.813 1.00 0.00 H new ATOM 396 N GLU A 27 -3.116 -11.865 1.211 1.00 0.00 N ATOM 397 CA GLU A 27 -2.604 -12.147 -0.125 1.00 0.00 C ATOM 398 C GLU A 27 -1.134 -11.754 -0.238 1.00 0.00 C ATOM 399 O GLU A 27 -0.308 -12.530 -0.721 1.00 0.00 O ATOM 400 CB GLU A 27 -3.425 -11.400 -1.178 1.00 0.00 C ATOM 401 CG GLU A 27 -4.777 -12.033 -1.458 1.00 0.00 C ATOM 402 CD GLU A 27 -4.669 -13.295 -2.293 1.00 0.00 C ATOM 403 OE1 GLU A 27 -4.315 -14.351 -1.728 1.00 0.00 O ATOM 404 OE2 GLU A 27 -4.939 -13.226 -3.510 1.00 0.00 O ATOM 0 H GLU A 27 -3.966 -11.302 1.227 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.690 -13.219 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.576 -10.373 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.855 -11.355 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.267 -12.268 -0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.411 -11.313 -1.975 1.00 0.00 H new ATOM 411 N TYR A 28 -0.814 -10.546 0.210 1.00 0.00 N ATOM 412 CA TYR A 28 0.555 -10.048 0.157 1.00 0.00 C ATOM 413 C TYR A 28 1.507 -10.991 0.887 1.00 0.00 C ATOM 414 O TYR A 28 2.515 -11.426 0.331 1.00 0.00 O ATOM 415 CB TYR A 28 0.636 -8.649 0.770 1.00 0.00 C ATOM 416 CG TYR A 28 1.955 -7.954 0.522 1.00 0.00 C ATOM 417 CD1 TYR A 28 2.502 -7.894 -0.755 1.00 0.00 C ATOM 418 CD2 TYR A 28 2.656 -7.358 1.562 1.00 0.00 C ATOM 419 CE1 TYR A 28 3.707 -7.261 -0.987 1.00 0.00 C ATOM 420 CE2 TYR A 28 3.862 -6.721 1.339 1.00 0.00 C ATOM 421 CZ TYR A 28 4.383 -6.675 0.063 1.00 0.00 C ATOM 422 OH TYR A 28 5.585 -6.043 -0.163 1.00 0.00 O ATOM 0 H TYR A 28 -1.485 -9.893 0.614 1.00 0.00 H new ATOM 0 HA TYR A 28 0.855 -9.997 -0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.169 -8.037 0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.470 -8.722 1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.975 -8.351 -1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.252 -7.393 2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.118 -7.225 -1.985 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.393 -6.262 2.159 1.00 0.00 H new ATOM 0 HH TYR A 28 5.699 -5.316 0.484 1.00 0.00 H new ATOM 432 N ARG A 29 1.177 -11.304 2.135 1.00 0.00 N ATOM 433 CA ARG A 29 2.001 -12.195 2.943 1.00 0.00 C ATOM 434 C ARG A 29 2.290 -13.494 2.195 1.00 0.00 C ATOM 435 O ARG A 29 3.446 -13.890 2.046 1.00 0.00 O ATOM 436 CB ARG A 29 1.307 -12.503 4.271 1.00 0.00 C ATOM 437 CG ARG A 29 2.268 -12.868 5.390 1.00 0.00 C ATOM 438 CD ARG A 29 1.530 -13.421 6.600 1.00 0.00 C ATOM 439 NE ARG A 29 2.448 -13.921 7.619 1.00 0.00 N ATOM 440 CZ ARG A 29 2.075 -14.233 8.855 1.00 0.00 C ATOM 441 NH1 ARG A 29 0.808 -14.098 9.222 1.00 0.00 N ATOM 442 NH2 ARG A 29 2.969 -14.682 9.727 1.00 0.00 N ATOM 0 H ARG A 29 0.345 -10.954 2.609 1.00 0.00 H new ATOM 0 HA ARG A 29 2.947 -11.692 3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.721 -11.635 4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.606 -13.325 4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.984 -13.607 5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.839 -11.987 5.682 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.902 -12.640 7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.867 -14.226 6.283 1.00 0.00 H new ATOM 0 HE ARG A 29 3.430 -14.037 7.368 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.118 -13.754 8.555 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.524 -14.338 10.172 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.944 -14.788 9.448 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.681 -14.921 10.676 1.00 0.00 H new ATOM 456 N GLU A 30 1.233 -14.151 1.729 1.00 0.00 N ATOM 457 CA GLU A 30 1.375 -15.405 0.999 1.00 0.00 C ATOM 458 C GLU A 30 2.325 -15.242 -0.184 1.00 0.00 C ATOM 459 O GLU A 30 3.202 -16.076 -0.411 1.00 0.00 O ATOM 460 CB GLU A 30 0.010 -15.892 0.507 1.00 0.00 C ATOM 461 CG GLU A 30 -0.881 -16.427 1.615 1.00 0.00 C ATOM 462 CD GLU A 30 -0.332 -17.692 2.246 1.00 0.00 C ATOM 463 OE1 GLU A 30 -0.306 -18.734 1.559 1.00 0.00 O ATOM 464 OE2 GLU A 30 0.071 -17.639 3.426 1.00 0.00 O ATOM 0 H GLU A 30 0.270 -13.836 1.844 1.00 0.00 H new ATOM 0 HA GLU A 30 1.794 -16.146 1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.501 -15.069 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.159 -16.674 -0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.997 -15.663 2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.874 -16.628 1.213 1.00 0.00 H new ATOM 471 N THR A 31 2.144 -14.160 -0.936 1.00 0.00 N ATOM 472 CA THR A 31 2.983 -13.887 -2.096 1.00 0.00 C ATOM 473 C THR A 31 4.450 -13.768 -1.698 1.00 0.00 C ATOM 474 O THR A 31 5.334 -14.274 -2.390 1.00 0.00 O ATOM 475 CB THR A 31 2.550 -12.593 -2.810 1.00 0.00 C ATOM 476 OG1 THR A 31 1.122 -12.536 -2.898 1.00 0.00 O ATOM 477 CG2 THR A 31 3.152 -12.517 -4.205 1.00 0.00 C ATOM 0 H THR A 31 1.424 -13.459 -0.762 1.00 0.00 H new ATOM 0 HA THR A 31 2.862 -14.728 -2.779 1.00 0.00 H new ATOM 0 HB THR A 31 2.912 -11.745 -2.228 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.758 -12.166 -2.067 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.832 -11.595 -4.690 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.240 -12.531 -4.133 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.816 -13.371 -4.793 1.00 0.00 H new ATOM 485 N LEU A 32 4.702 -13.097 -0.580 1.00 0.00 N ATOM 486 CA LEU A 32 6.063 -12.912 -0.089 1.00 0.00 C ATOM 487 C LEU A 32 6.688 -14.248 0.300 1.00 0.00 C ATOM 488 O LEU A 32 7.857 -14.503 0.016 1.00 0.00 O ATOM 489 CB LEU A 32 6.069 -11.964 1.112 1.00 0.00 C ATOM 490 CG LEU A 32 5.650 -10.521 0.830 1.00 0.00 C ATOM 491 CD1 LEU A 32 5.809 -9.665 2.077 1.00 0.00 C ATOM 492 CD2 LEU A 32 6.461 -9.945 -0.322 1.00 0.00 C ATOM 0 H LEU A 32 3.982 -12.672 0.004 1.00 0.00 H new ATOM 0 HA LEU A 32 6.656 -12.475 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.405 -12.372 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.073 -11.953 1.536 1.00 0.00 H new ATOM 0 HG LEU A 32 4.598 -10.518 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.506 -8.641 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.183 -10.065 2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.852 -9.674 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.149 -8.917 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.520 -9.962 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.295 -10.543 -1.218 1.00 0.00 H new ATOM 504 N GLU A 33 5.899 -15.097 0.951 1.00 0.00 N ATOM 505 CA GLU A 33 6.375 -16.407 1.378 1.00 0.00 C ATOM 506 C GLU A 33 6.716 -17.281 0.174 1.00 0.00 C ATOM 507 O GLU A 33 7.716 -17.998 0.178 1.00 0.00 O ATOM 508 CB GLU A 33 5.321 -17.101 2.243 1.00 0.00 C ATOM 509 CG GLU A 33 5.212 -16.529 3.646 1.00 0.00 C ATOM 510 CD GLU A 33 4.090 -17.160 4.448 1.00 0.00 C ATOM 511 OE1 GLU A 33 4.267 -18.304 4.915 1.00 0.00 O ATOM 512 OE2 GLU A 33 3.036 -16.510 4.608 1.00 0.00 O ATOM 0 H GLU A 33 4.928 -14.901 1.194 1.00 0.00 H new ATOM 0 HA GLU A 33 7.280 -16.261 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.351 -17.023 1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.560 -18.162 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.156 -16.678 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.049 -15.453 3.584 1.00 0.00 H new ATOM 519 N GLU A 34 5.877 -17.214 -0.855 1.00 0.00 N ATOM 520 CA GLU A 34 6.089 -18.000 -2.065 1.00 0.00 C ATOM 521 C GLU A 34 7.171 -17.372 -2.939 1.00 0.00 C ATOM 522 O GLU A 34 7.802 -18.052 -3.746 1.00 0.00 O ATOM 523 CB GLU A 34 4.785 -18.121 -2.856 1.00 0.00 C ATOM 524 CG GLU A 34 3.783 -19.079 -2.234 1.00 0.00 C ATOM 525 CD GLU A 34 2.573 -19.313 -3.118 1.00 0.00 C ATOM 526 OE1 GLU A 34 2.756 -19.789 -4.259 1.00 0.00 O ATOM 527 OE2 GLU A 34 1.445 -19.020 -2.671 1.00 0.00 O ATOM 0 H GLU A 34 5.045 -16.624 -0.875 1.00 0.00 H new ATOM 0 HA GLU A 34 6.419 -18.996 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.328 -17.135 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.013 -18.454 -3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.273 -20.032 -2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.455 -18.682 -1.273 1.00 0.00 H new ATOM 534 N GLN A 35 7.376 -16.069 -2.771 1.00 0.00 N ATOM 535 CA GLN A 35 8.380 -15.349 -3.545 1.00 0.00 C ATOM 536 C GLN A 35 9.776 -15.898 -3.272 1.00 0.00 C ATOM 537 O GLN A 35 10.708 -15.662 -4.039 1.00 0.00 O ATOM 538 CB GLN A 35 8.333 -13.856 -3.217 1.00 0.00 C ATOM 539 CG GLN A 35 7.533 -13.037 -4.218 1.00 0.00 C ATOM 540 CD GLN A 35 7.266 -11.625 -3.736 1.00 0.00 C ATOM 541 OE1 GLN A 35 7.998 -11.093 -2.901 1.00 0.00 O ATOM 542 NE2 GLN A 35 6.213 -11.010 -4.261 1.00 0.00 N ATOM 0 H GLN A 35 6.861 -15.491 -2.107 1.00 0.00 H new ATOM 0 HA GLN A 35 8.156 -15.489 -4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.901 -13.724 -2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.351 -13.470 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.073 -12.998 -5.164 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.584 -13.536 -4.414 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.634 -11.489 -4.950 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.983 -10.058 -3.975 1.00 0.00 H new ATOM 551 N GLY A 36 9.913 -16.633 -2.172 1.00 0.00 N ATOM 552 CA GLY A 36 11.199 -17.204 -1.816 1.00 0.00 C ATOM 553 C GLY A 36 11.731 -16.663 -0.504 1.00 0.00 C ATOM 554 O GLY A 36 12.908 -16.830 -0.188 1.00 0.00 O ATOM 0 H GLY A 36 9.156 -16.843 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.105 -18.288 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.917 -16.996 -2.609 1.00 0.00 H new ATOM 558 N MET A 37 10.861 -16.010 0.261 1.00 0.00 N ATOM 559 CA MET A 37 11.251 -15.442 1.546 1.00 0.00 C ATOM 560 C MET A 37 10.902 -16.391 2.688 1.00 0.00 C ATOM 561 O MET A 37 9.729 -16.609 2.991 1.00 0.00 O ATOM 562 CB MET A 37 10.564 -14.092 1.761 1.00 0.00 C ATOM 563 CG MET A 37 10.913 -13.058 0.703 1.00 0.00 C ATOM 564 SD MET A 37 9.719 -11.708 0.631 1.00 0.00 S ATOM 565 CE MET A 37 9.572 -11.294 2.368 1.00 0.00 C ATOM 0 H MET A 37 9.883 -15.862 0.013 1.00 0.00 H new ATOM 0 HA MET A 37 12.331 -15.294 1.537 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.484 -14.240 1.770 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.841 -13.705 2.741 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.903 -12.652 0.910 1.00 0.00 H new ATOM 0 HG3 MET A 37 10.965 -13.544 -0.271 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.582 -11.576 2.727 1.00 0.00 H new ATOM 0 HE2 MET A 37 10.331 -11.833 2.936 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.714 -10.221 2.500 1.00 0.00 H new ATOM 575 N LYS A 38 11.928 -16.953 3.319 1.00 0.00 N ATOM 576 CA LYS A 38 11.730 -17.878 4.429 1.00 0.00 C ATOM 577 C LYS A 38 12.210 -17.265 5.740 1.00 0.00 C ATOM 578 O LYS A 38 12.470 -17.976 6.710 1.00 0.00 O ATOM 579 CB LYS A 38 12.473 -19.190 4.164 1.00 0.00 C ATOM 580 CG LYS A 38 13.945 -19.001 3.843 1.00 0.00 C ATOM 581 CD LYS A 38 14.661 -20.334 3.705 1.00 0.00 C ATOM 582 CE LYS A 38 15.126 -20.859 5.055 1.00 0.00 C ATOM 583 NZ LYS A 38 16.357 -21.689 4.933 1.00 0.00 N ATOM 0 H LYS A 38 12.905 -16.784 3.080 1.00 0.00 H new ATOM 0 HA LYS A 38 10.663 -18.082 4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.380 -19.833 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.993 -19.709 3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.047 -18.435 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.417 -18.413 4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.994 -21.060 3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.519 -20.221 3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.318 -20.020 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.331 -21.452 5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.642 -22.028 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.167 -22.503 4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.123 -21.116 4.525 1.00 0.00 H new ATOM 597 N ASN A 39 12.324 -15.941 5.762 1.00 0.00 N ATOM 598 CA ASN A 39 12.772 -15.233 6.956 1.00 0.00 C ATOM 599 C ASN A 39 11.669 -14.329 7.499 1.00 0.00 C ATOM 600 O ASN A 39 10.867 -13.770 6.751 1.00 0.00 O ATOM 601 CB ASN A 39 14.019 -14.402 6.643 1.00 0.00 C ATOM 602 CG ASN A 39 15.174 -14.721 7.573 1.00 0.00 C ATOM 603 OD1 ASN A 39 15.480 -15.886 7.824 1.00 0.00 O ATOM 604 ND2 ASN A 39 15.821 -13.682 8.090 1.00 0.00 N ATOM 0 H ASN A 39 12.113 -15.337 4.968 1.00 0.00 H new ATOM 0 HA ASN A 39 13.018 -15.974 7.717 1.00 0.00 H new ATOM 0 HB2 ASN A 39 14.325 -14.584 5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.775 -13.342 6.721 1.00 0.00 H new ATOM 0 HD21 ASN A 39 16.606 -13.834 8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 39 15.532 -12.733 7.854 1.00 0.00 H new ATOM 611 N PRO A 40 11.626 -14.183 8.831 1.00 0.00 N ATOM 612 CA PRO A 40 10.627 -13.348 9.505 1.00 0.00 C ATOM 613 C PRO A 40 10.848 -11.861 9.250 1.00 0.00 C ATOM 614 O PRO A 40 9.916 -11.137 8.902 1.00 0.00 O ATOM 615 CB PRO A 40 10.833 -13.673 10.986 1.00 0.00 C ATOM 616 CG PRO A 40 12.250 -14.124 11.082 1.00 0.00 C ATOM 617 CD PRO A 40 12.551 -14.821 9.784 1.00 0.00 C ATOM 0 HA PRO A 40 9.618 -13.551 9.147 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.653 -12.799 11.612 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.147 -14.451 11.320 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.920 -13.278 11.235 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.389 -14.797 11.928 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.591 -14.685 9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.377 -15.895 9.855 1.00 0.00 H new ATOM 625 N GLU A 41 12.087 -11.413 9.425 1.00 0.00 N ATOM 626 CA GLU A 41 12.428 -10.011 9.215 1.00 0.00 C ATOM 627 C GLU A 41 11.994 -9.548 7.827 1.00 0.00 C ATOM 628 O GLU A 41 11.392 -8.486 7.676 1.00 0.00 O ATOM 629 CB GLU A 41 13.934 -9.798 9.387 1.00 0.00 C ATOM 630 CG GLU A 41 14.489 -10.390 10.672 1.00 0.00 C ATOM 631 CD GLU A 41 15.890 -9.900 10.982 1.00 0.00 C ATOM 632 OE1 GLU A 41 16.047 -8.697 11.274 1.00 0.00 O ATOM 633 OE2 GLU A 41 16.829 -10.722 10.934 1.00 0.00 O ATOM 0 H GLU A 41 12.871 -12.000 9.711 1.00 0.00 H new ATOM 0 HA GLU A 41 11.897 -9.419 9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.455 -10.241 8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.146 -8.729 9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.828 -10.136 11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.497 -11.477 10.593 1.00 0.00 H new ATOM 640 N GLU A 42 12.306 -10.353 6.816 1.00 0.00 N ATOM 641 CA GLU A 42 11.949 -10.026 5.441 1.00 0.00 C ATOM 642 C GLU A 42 10.442 -9.832 5.301 1.00 0.00 C ATOM 643 O GLU A 42 9.970 -8.728 5.027 1.00 0.00 O ATOM 644 CB GLU A 42 12.423 -11.128 4.491 1.00 0.00 C ATOM 645 CG GLU A 42 12.700 -10.637 3.080 1.00 0.00 C ATOM 646 CD GLU A 42 14.016 -9.891 2.970 1.00 0.00 C ATOM 647 OE1 GLU A 42 14.189 -8.883 3.686 1.00 0.00 O ATOM 648 OE2 GLU A 42 14.873 -10.317 2.167 1.00 0.00 O ATOM 0 H GLU A 42 12.805 -11.236 6.924 1.00 0.00 H new ATOM 0 HA GLU A 42 12.444 -9.091 5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.330 -11.579 4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.667 -11.912 4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.711 -11.488 2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.888 -9.983 2.761 1.00 0.00 H new ATOM 655 N ILE A 43 9.692 -10.912 5.491 1.00 0.00 N ATOM 656 CA ILE A 43 8.239 -10.861 5.387 1.00 0.00 C ATOM 657 C ILE A 43 7.664 -9.752 6.261 1.00 0.00 C ATOM 658 O ILE A 43 6.950 -8.875 5.776 1.00 0.00 O ATOM 659 CB ILE A 43 7.599 -12.202 5.792 1.00 0.00 C ATOM 660 CG1 ILE A 43 8.192 -13.346 4.965 1.00 0.00 C ATOM 661 CG2 ILE A 43 6.089 -12.142 5.615 1.00 0.00 C ATOM 662 CD1 ILE A 43 7.576 -14.693 5.270 1.00 0.00 C ATOM 0 H ILE A 43 10.067 -11.833 5.718 1.00 0.00 H new ATOM 0 HA ILE A 43 8.004 -10.656 4.343 1.00 0.00 H new ATOM 0 HB ILE A 43 7.816 -12.388 6.844 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.058 -13.126 3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.266 -13.397 5.147 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.650 -13.097 5.905 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.680 -11.350 6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.853 -11.937 4.571 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.044 -15.456 4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.733 -14.935 6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.507 -14.660 5.061 1.00 0.00 H new ATOM 674 N GLU A 44 7.982 -9.797 7.551 1.00 0.00 N ATOM 675 CA GLU A 44 7.497 -8.794 8.492 1.00 0.00 C ATOM 676 C GLU A 44 7.780 -7.385 7.979 1.00 0.00 C ATOM 677 O GLU A 44 6.929 -6.500 8.064 1.00 0.00 O ATOM 678 CB GLU A 44 8.150 -8.990 9.862 1.00 0.00 C ATOM 679 CG GLU A 44 7.659 -10.225 10.599 1.00 0.00 C ATOM 680 CD GLU A 44 8.623 -10.684 11.675 1.00 0.00 C ATOM 681 OE1 GLU A 44 9.605 -9.959 11.939 1.00 0.00 O ATOM 682 OE2 GLU A 44 8.396 -11.767 12.253 1.00 0.00 O ATOM 0 H GLU A 44 8.573 -10.516 7.968 1.00 0.00 H new ATOM 0 HA GLU A 44 6.418 -8.917 8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.230 -9.059 9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.958 -8.110 10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.690 -10.012 11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.507 -11.034 9.884 1.00 0.00 H new ATOM 689 N ARG A 45 8.981 -7.185 7.447 1.00 0.00 N ATOM 690 CA ARG A 45 9.377 -5.884 6.922 1.00 0.00 C ATOM 691 C ARG A 45 8.438 -5.440 5.804 1.00 0.00 C ATOM 692 O ARG A 45 7.777 -4.406 5.908 1.00 0.00 O ATOM 693 CB ARG A 45 10.816 -5.936 6.403 1.00 0.00 C ATOM 694 CG ARG A 45 11.288 -4.630 5.785 1.00 0.00 C ATOM 695 CD ARG A 45 12.805 -4.532 5.783 1.00 0.00 C ATOM 696 NE ARG A 45 13.269 -3.242 5.278 1.00 0.00 N ATOM 697 CZ ARG A 45 14.538 -2.850 5.320 1.00 0.00 C ATOM 698 NH1 ARG A 45 15.464 -3.643 5.841 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.882 -1.662 4.840 1.00 0.00 N ATOM 0 H ARG A 45 9.697 -7.907 7.368 1.00 0.00 H new ATOM 0 HA ARG A 45 9.316 -5.159 7.734 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.481 -6.200 7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.897 -6.730 5.660 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.916 -4.554 4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.869 -3.791 6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.179 -4.681 6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.219 -5.332 5.169 1.00 0.00 H new ATOM 0 HE ARG A 45 12.582 -2.608 4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.203 -4.557 6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.437 -3.339 5.872 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.172 -1.049 4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.856 -1.361 4.872 1.00 0.00 H new ATOM 713 N LYS A 46 8.385 -6.227 4.735 1.00 0.00 N ATOM 714 CA LYS A 46 7.527 -5.916 3.598 1.00 0.00 C ATOM 715 C LYS A 46 6.077 -5.749 4.040 1.00 0.00 C ATOM 716 O LYS A 46 5.458 -4.714 3.793 1.00 0.00 O ATOM 717 CB LYS A 46 7.625 -7.020 2.543 1.00 0.00 C ATOM 718 CG LYS A 46 8.926 -6.998 1.758 1.00 0.00 C ATOM 719 CD LYS A 46 8.848 -7.881 0.524 1.00 0.00 C ATOM 720 CE LYS A 46 10.148 -7.853 -0.264 1.00 0.00 C ATOM 721 NZ LYS A 46 10.326 -6.570 -0.998 1.00 0.00 N ATOM 0 H LYS A 46 8.926 -7.085 4.632 1.00 0.00 H new ATOM 0 HA LYS A 46 7.867 -4.975 3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.522 -7.989 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.790 -6.923 1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.155 -5.975 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.743 -7.335 2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.624 -8.905 0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.028 -7.547 -0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.987 -8.002 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.161 -8.681 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.207 -6.605 -1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.521 -6.423 -1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.374 -5.785 -0.318 1.00 0.00 H new ATOM 735 N VAL A 47 5.541 -6.773 4.696 1.00 0.00 N ATOM 736 CA VAL A 47 4.164 -6.738 5.175 1.00 0.00 C ATOM 737 C VAL A 47 3.898 -5.478 5.992 1.00 0.00 C ATOM 738 O VAL A 47 2.913 -4.777 5.765 1.00 0.00 O ATOM 739 CB VAL A 47 3.838 -7.973 6.036 1.00 0.00 C ATOM 740 CG1 VAL A 47 2.411 -7.898 6.559 1.00 0.00 C ATOM 741 CG2 VAL A 47 4.056 -9.250 5.240 1.00 0.00 C ATOM 0 H VAL A 47 6.039 -7.637 4.908 1.00 0.00 H new ATOM 0 HA VAL A 47 3.522 -6.739 4.294 1.00 0.00 H new ATOM 0 HB VAL A 47 4.513 -7.986 6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.199 -8.779 7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.293 -7.002 7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.717 -7.860 5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.821 -10.112 5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.407 -9.248 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.097 -9.306 4.920 1.00 0.00 H new ATOM 751 N GLU A 48 4.785 -5.197 6.942 1.00 0.00 N ATOM 752 CA GLU A 48 4.645 -4.021 7.792 1.00 0.00 C ATOM 753 C GLU A 48 4.500 -2.755 6.951 1.00 0.00 C ATOM 754 O GLU A 48 3.559 -1.983 7.131 1.00 0.00 O ATOM 755 CB GLU A 48 5.852 -3.891 8.724 1.00 0.00 C ATOM 756 CG GLU A 48 5.758 -2.716 9.683 1.00 0.00 C ATOM 757 CD GLU A 48 7.107 -2.311 10.243 1.00 0.00 C ATOM 758 OE1 GLU A 48 8.061 -3.109 10.128 1.00 0.00 O ATOM 759 OE2 GLU A 48 7.209 -1.197 10.798 1.00 0.00 O ATOM 0 H GLU A 48 5.607 -5.767 7.142 1.00 0.00 H new ATOM 0 HA GLU A 48 3.743 -4.144 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.957 -4.811 9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.755 -3.787 8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.313 -1.865 9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.091 -2.975 10.505 1.00 0.00 H new ATOM 766 N ILE A 49 5.439 -2.551 6.034 1.00 0.00 N ATOM 767 CA ILE A 49 5.416 -1.381 5.165 1.00 0.00 C ATOM 768 C ILE A 49 4.090 -1.275 4.421 1.00 0.00 C ATOM 769 O ILE A 49 3.508 -0.196 4.319 1.00 0.00 O ATOM 770 CB ILE A 49 6.566 -1.418 4.141 1.00 0.00 C ATOM 771 CG1 ILE A 49 7.916 -1.476 4.858 1.00 0.00 C ATOM 772 CG2 ILE A 49 6.498 -0.204 3.225 1.00 0.00 C ATOM 773 CD1 ILE A 49 9.036 -2.014 3.995 1.00 0.00 C ATOM 0 H ILE A 49 6.225 -3.181 5.873 1.00 0.00 H new ATOM 0 HA ILE A 49 5.540 -0.509 5.807 1.00 0.00 H new ATOM 0 HB ILE A 49 6.461 -2.316 3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.180 -0.475 5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.820 -2.101 5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.317 -0.244 2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.547 -0.203 2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.581 0.706 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.963 -2.027 4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.794 -3.027 3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.159 -1.376 3.120 1.00 0.00 H new ATOM 785 N ASN A 50 3.616 -2.404 3.904 1.00 0.00 N ATOM 786 CA ASN A 50 2.356 -2.439 3.169 1.00 0.00 C ATOM 787 C ASN A 50 1.191 -2.038 4.069 1.00 0.00 C ATOM 788 O ASN A 50 0.402 -1.157 3.726 1.00 0.00 O ATOM 789 CB ASN A 50 2.115 -3.836 2.595 1.00 0.00 C ATOM 790 CG ASN A 50 1.490 -3.793 1.214 1.00 0.00 C ATOM 791 OD1 ASN A 50 1.626 -2.808 0.489 1.00 0.00 O ATOM 792 ND2 ASN A 50 0.800 -4.866 0.843 1.00 0.00 N ATOM 0 H ASN A 50 4.085 -3.307 3.980 1.00 0.00 H new ATOM 0 HA ASN A 50 2.422 -1.724 2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.062 -4.374 2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.465 -4.395 3.268 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.357 -4.895 -0.075 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.713 -5.661 1.477 1.00 0.00 H new ATOM 799 N ARG A 51 1.089 -2.692 5.222 1.00 0.00 N ATOM 800 CA ARG A 51 0.020 -2.405 6.171 1.00 0.00 C ATOM 801 C ARG A 51 -0.042 -0.913 6.485 1.00 0.00 C ATOM 802 O ARG A 51 -1.090 -0.282 6.347 1.00 0.00 O ATOM 803 CB ARG A 51 0.228 -3.200 7.462 1.00 0.00 C ATOM 804 CG ARG A 51 -0.933 -3.091 8.437 1.00 0.00 C ATOM 805 CD ARG A 51 -0.705 -3.951 9.671 1.00 0.00 C ATOM 806 NE ARG A 51 -1.906 -4.052 10.496 1.00 0.00 N ATOM 807 CZ ARG A 51 -2.000 -4.837 11.564 1.00 0.00 C ATOM 808 NH1 ARG A 51 -0.969 -5.584 11.934 1.00 0.00 N ATOM 809 NH2 ARG A 51 -3.126 -4.874 12.264 1.00 0.00 N ATOM 0 H ARG A 51 1.733 -3.424 5.521 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.925 -2.703 5.717 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.384 -4.249 7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.137 -2.851 7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.063 -2.051 8.736 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.855 -3.398 7.943 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.390 -4.949 9.365 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.107 -3.528 10.263 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.717 -3.489 10.238 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.101 -5.557 11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.044 -6.186 12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.921 -4.300 11.983 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.197 -5.477 13.084 1.00 0.00 H new ATOM 823 N LYS A 52 1.087 -0.355 6.908 1.00 0.00 N ATOM 824 CA LYS A 52 1.162 1.063 7.241 1.00 0.00 C ATOM 825 C LYS A 52 0.737 1.924 6.055 1.00 0.00 C ATOM 826 O LYS A 52 -0.037 2.869 6.209 1.00 0.00 O ATOM 827 CB LYS A 52 2.584 1.433 7.668 1.00 0.00 C ATOM 828 CG LYS A 52 2.932 0.982 9.077 1.00 0.00 C ATOM 829 CD LYS A 52 4.277 1.532 9.522 1.00 0.00 C ATOM 830 CE LYS A 52 4.129 2.883 10.203 1.00 0.00 C ATOM 831 NZ LYS A 52 5.417 3.630 10.240 1.00 0.00 N ATOM 0 H LYS A 52 1.963 -0.863 7.028 1.00 0.00 H new ATOM 0 HA LYS A 52 0.479 1.252 8.069 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.292 0.989 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.705 2.514 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.156 1.312 9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.952 -0.107 9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.750 0.828 10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.935 1.629 8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.381 3.475 9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.763 2.739 11.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.274 4.546 10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.124 3.077 10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.753 3.790 9.269 1.00 0.00 H new ATOM 845 N ARG A 53 1.246 1.589 4.874 1.00 0.00 N ATOM 846 CA ARG A 53 0.918 2.332 3.663 1.00 0.00 C ATOM 847 C ARG A 53 -0.587 2.327 3.413 1.00 0.00 C ATOM 848 O ARG A 53 -1.184 3.367 3.129 1.00 0.00 O ATOM 849 CB ARG A 53 1.647 1.733 2.459 1.00 0.00 C ATOM 850 CG ARG A 53 1.893 2.730 1.338 1.00 0.00 C ATOM 851 CD ARG A 53 2.053 2.031 -0.003 1.00 0.00 C ATOM 852 NE ARG A 53 2.582 2.928 -1.027 1.00 0.00 N ATOM 853 CZ ARG A 53 2.838 2.550 -2.275 1.00 0.00 C ATOM 854 NH1 ARG A 53 2.614 1.298 -2.650 1.00 0.00 N ATOM 855 NH2 ARG A 53 3.318 3.424 -3.149 1.00 0.00 N ATOM 0 H ARG A 53 1.887 0.809 4.730 1.00 0.00 H new ATOM 0 HA ARG A 53 1.243 3.363 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.603 1.327 2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.064 0.898 2.070 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.062 3.433 1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.789 3.311 1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.720 1.177 0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.088 1.641 -0.326 1.00 0.00 H new ATOM 0 HE ARG A 53 2.765 3.898 -0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.245 0.623 -1.980 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.811 1.010 -3.608 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.491 4.388 -2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.514 3.132 -4.107 1.00 0.00 H new ATOM 869 N LEU A 54 -1.196 1.152 3.521 1.00 0.00 N ATOM 870 CA LEU A 54 -2.632 1.011 3.306 1.00 0.00 C ATOM 871 C LEU A 54 -3.418 1.780 4.363 1.00 0.00 C ATOM 872 O LEU A 54 -4.306 2.568 4.038 1.00 0.00 O ATOM 873 CB LEU A 54 -3.029 -0.466 3.333 1.00 0.00 C ATOM 874 CG LEU A 54 -2.646 -1.287 2.102 1.00 0.00 C ATOM 875 CD1 LEU A 54 -2.623 -2.770 2.435 1.00 0.00 C ATOM 876 CD2 LEU A 54 -3.608 -1.010 0.956 1.00 0.00 C ATOM 0 H LEU A 54 -0.718 0.282 3.756 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.871 1.427 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.573 -0.928 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.109 -0.529 3.465 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.645 -0.991 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.348 -3.338 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.893 -2.955 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.611 -3.082 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.320 -1.603 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.621 -1.277 1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.573 0.049 0.700 1.00 0.00 H new ATOM 888 N GLU A 55 -3.084 1.548 5.628 1.00 0.00 N ATOM 889 CA GLU A 55 -3.758 2.221 6.732 1.00 0.00 C ATOM 890 C GLU A 55 -3.767 3.732 6.524 1.00 0.00 C ATOM 891 O GLU A 55 -4.804 4.383 6.656 1.00 0.00 O ATOM 892 CB GLU A 55 -3.076 1.881 8.059 1.00 0.00 C ATOM 893 CG GLU A 55 -3.658 0.658 8.748 1.00 0.00 C ATOM 894 CD GLU A 55 -3.196 0.523 10.186 1.00 0.00 C ATOM 895 OE1 GLU A 55 -2.744 1.536 10.761 1.00 0.00 O ATOM 896 OE2 GLU A 55 -3.285 -0.594 10.736 1.00 0.00 O ATOM 0 H GLU A 55 -2.351 0.899 5.914 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.790 1.870 6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.014 1.715 7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.156 2.737 8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.746 0.716 8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.374 -0.236 8.194 1.00 0.00 H new ATOM 903 N VAL A 56 -2.602 4.286 6.200 1.00 0.00 N ATOM 904 CA VAL A 56 -2.475 5.720 5.973 1.00 0.00 C ATOM 905 C VAL A 56 -3.122 6.128 4.654 1.00 0.00 C ATOM 906 O VAL A 56 -3.580 7.260 4.499 1.00 0.00 O ATOM 907 CB VAL A 56 -0.998 6.158 5.964 1.00 0.00 C ATOM 908 CG1 VAL A 56 -0.885 7.652 5.703 1.00 0.00 C ATOM 909 CG2 VAL A 56 -0.325 5.785 7.276 1.00 0.00 C ATOM 0 H VAL A 56 -1.733 3.763 6.089 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.989 6.217 6.796 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.486 5.634 5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.166 7.942 5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.329 7.887 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.411 8.199 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.718 6.101 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.836 6.281 8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.373 4.705 7.416 1.00 0.00 H new ATOM 919 N ASP A 57 -3.156 5.198 3.706 1.00 0.00 N ATOM 920 CA ASP A 57 -3.749 5.459 2.399 1.00 0.00 C ATOM 921 C ASP A 57 -5.269 5.535 2.498 1.00 0.00 C ATOM 922 O ASP A 57 -5.920 6.208 1.699 1.00 0.00 O ATOM 923 CB ASP A 57 -3.344 4.370 1.405 1.00 0.00 C ATOM 924 CG ASP A 57 -2.005 4.651 0.752 1.00 0.00 C ATOM 925 OD1 ASP A 57 -1.451 5.747 0.982 1.00 0.00 O ATOM 926 OD2 ASP A 57 -1.510 3.775 0.012 1.00 0.00 O ATOM 0 H ASP A 57 -2.780 4.256 3.818 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.377 6.420 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.299 3.410 1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.110 4.283 0.634 1.00 0.00 H new ATOM 931 N TYR A 58 -5.829 4.840 3.482 1.00 0.00 N ATOM 932 CA TYR A 58 -7.273 4.826 3.683 1.00 0.00 C ATOM 933 C TYR A 58 -7.690 5.870 4.714 1.00 0.00 C ATOM 934 O TYR A 58 -8.748 5.761 5.331 1.00 0.00 O ATOM 935 CB TYR A 58 -7.733 3.437 4.131 1.00 0.00 C ATOM 936 CG TYR A 58 -7.736 2.412 3.019 1.00 0.00 C ATOM 937 CD1 TYR A 58 -8.583 2.546 1.927 1.00 0.00 C ATOM 938 CD2 TYR A 58 -6.891 1.310 3.062 1.00 0.00 C ATOM 939 CE1 TYR A 58 -8.590 1.611 0.909 1.00 0.00 C ATOM 940 CE2 TYR A 58 -6.889 0.371 2.049 1.00 0.00 C ATOM 941 CZ TYR A 58 -7.741 0.526 0.975 1.00 0.00 C ATOM 942 OH TYR A 58 -7.743 -0.407 -0.037 1.00 0.00 O ATOM 0 H TYR A 58 -5.305 4.279 4.153 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.749 5.070 2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.082 3.089 4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.738 3.513 4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.248 3.395 1.872 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.224 1.185 3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.256 1.729 0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.225 -0.479 2.097 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.087 -1.107 0.162 1.00 0.00 H new ATOM 952 N GLY A 59 -6.847 6.882 4.895 1.00 0.00 N ATOM 953 CA GLY A 59 -7.145 7.932 5.852 1.00 0.00 C ATOM 954 C GLY A 59 -7.475 7.387 7.227 1.00 0.00 C ATOM 955 O GLY A 59 -8.209 8.014 7.992 1.00 0.00 O ATOM 0 H GLY A 59 -5.964 6.994 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.290 8.604 5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.985 8.523 5.488 1.00 0.00 H new ATOM 959 N LEU A 60 -6.935 6.215 7.543 1.00 0.00 N ATOM 960 CA LEU A 60 -7.178 5.584 8.835 1.00 0.00 C ATOM 961 C LEU A 60 -6.072 5.929 9.827 1.00 0.00 C ATOM 962 O LEU A 60 -6.327 6.120 11.016 1.00 0.00 O ATOM 963 CB LEU A 60 -7.278 4.066 8.673 1.00 0.00 C ATOM 964 CG LEU A 60 -8.358 3.563 7.715 1.00 0.00 C ATOM 965 CD1 LEU A 60 -8.248 2.057 7.530 1.00 0.00 C ATOM 966 CD2 LEU A 60 -9.741 3.940 8.226 1.00 0.00 C ATOM 0 H LEU A 60 -6.326 5.683 6.922 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.122 5.965 9.225 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.313 3.693 8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.458 3.627 9.654 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.208 4.039 6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.025 1.717 6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.269 1.811 7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.372 1.562 8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.498 3.574 7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.901 3.492 9.207 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.816 5.024 8.306 1.00 0.00 H new ATOM 978 N SER A 61 -4.842 6.010 9.329 1.00 0.00 N ATOM 979 CA SER A 61 -3.696 6.331 10.171 1.00 0.00 C ATOM 980 C SER A 61 -3.218 7.757 9.917 1.00 0.00 C ATOM 981 O SER A 61 -3.417 8.305 8.834 1.00 0.00 O ATOM 982 CB SER A 61 -2.555 5.345 9.913 1.00 0.00 C ATOM 983 OG SER A 61 -1.314 5.875 10.348 1.00 0.00 O ATOM 0 H SER A 61 -4.614 5.858 8.347 1.00 0.00 H new ATOM 0 HA SER A 61 -4.008 6.251 11.212 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.756 4.408 10.432 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.503 5.115 8.849 1.00 0.00 H new ATOM 0 HG SER A 61 -0.602 5.225 10.174 1.00 0.00 H new TER 989 SER A 61