USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 738 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 71 THR OG1 : rot -122:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.056 (180deg=-0.352) USER MOD Single : A 3 THR OG1 : rot -38:sc= 0.13 USER MOD Single : A 6 ASN : amide:sc= -4.81! C(o=-4.8!,f=-5.5!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0705 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.673 USER MOD Single : A 29 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.27) USER MOD Single : A 35 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-5.8!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.342 USER MOD Single : A 46 SER OG : rot -54:sc= -0.0741 USER MOD Single : A 48 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -158:sc= -0.0571 (180deg=-0.977) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.376 USER MOD Single : A 94 GLN : amide:sc= -1.93 X(o=-1.9,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.294 -2.656 3.539 1.00 0.00 N ATOM 2 CA MET A 1 -16.622 -3.209 3.152 1.00 0.00 C ATOM 3 C MET A 1 -16.503 -3.914 1.805 1.00 0.00 C ATOM 4 O MET A 1 -15.612 -3.610 1.013 1.00 0.00 O ATOM 5 CB MET A 1 -17.638 -2.069 3.054 1.00 0.00 C ATOM 6 CG MET A 1 -17.994 -1.580 4.459 1.00 0.00 C ATOM 7 SD MET A 1 -18.893 -0.014 4.342 1.00 0.00 S ATOM 8 CE MET A 1 -19.435 0.065 6.067 1.00 0.00 C ATOM 0 H1 MET A 1 -14.953 -3.139 4.395 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.617 -2.805 2.764 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.384 -1.637 3.729 1.00 0.00 H new ATOM 0 HA MET A 1 -16.956 -3.924 3.904 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.225 -1.249 2.466 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.535 -2.411 2.538 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.604 -2.324 4.971 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.088 -1.448 5.050 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.020 0.971 6.224 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.048 -0.807 6.296 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.564 0.078 6.722 1.00 0.00 H new ATOM 18 N VAL A 2 -17.406 -4.856 1.552 1.00 0.00 N ATOM 19 CA VAL A 2 -17.388 -5.595 0.295 1.00 0.00 C ATOM 20 C VAL A 2 -17.662 -4.660 -0.878 1.00 0.00 C ATOM 21 O VAL A 2 -18.741 -4.078 -0.987 1.00 0.00 O ATOM 22 CB VAL A 2 -18.432 -6.719 0.326 1.00 0.00 C ATOM 23 CG1 VAL A 2 -19.826 -6.139 0.601 1.00 0.00 C ATOM 24 CG2 VAL A 2 -18.434 -7.445 -1.023 1.00 0.00 C ATOM 0 H VAL A 2 -18.152 -5.124 2.194 1.00 0.00 H new ATOM 0 HA VAL A 2 -16.399 -6.034 0.167 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.179 -7.420 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.558 -6.946 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -19.824 -5.627 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.087 -5.431 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -19.175 -8.244 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -18.681 -6.739 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.447 -7.869 -1.210 1.00 0.00 H new ATOM 34 N THR A 3 -16.672 -4.519 -1.753 1.00 0.00 N ATOM 35 CA THR A 3 -16.807 -3.652 -2.919 1.00 0.00 C ATOM 36 C THR A 3 -15.668 -3.909 -3.903 1.00 0.00 C ATOM 37 O THR A 3 -14.825 -3.041 -4.130 1.00 0.00 O ATOM 38 CB THR A 3 -16.789 -2.182 -2.483 1.00 0.00 C ATOM 39 OG1 THR A 3 -17.721 -1.991 -1.428 1.00 0.00 O ATOM 40 CG2 THR A 3 -17.166 -1.287 -3.666 1.00 0.00 C ATOM 0 H THR A 3 -15.771 -4.991 -1.678 1.00 0.00 H new ATOM 0 HA THR A 3 -17.756 -3.871 -3.409 1.00 0.00 H new ATOM 0 HB THR A 3 -15.789 -1.920 -2.139 1.00 0.00 H new ATOM 0 HG1 THR A 3 -18.520 -2.533 -1.595 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.152 -0.243 -3.352 1.00 0.00 H new ATOM 0 HG22 THR A 3 -16.450 -1.432 -4.475 1.00 0.00 H new ATOM 0 HG23 THR A 3 -18.165 -1.547 -4.015 1.00 0.00 H new ATOM 48 N PRO A 4 -15.624 -5.081 -4.482 1.00 0.00 N ATOM 49 CA PRO A 4 -14.559 -5.456 -5.457 1.00 0.00 C ATOM 50 C PRO A 4 -14.780 -4.815 -6.826 1.00 0.00 C ATOM 51 O PRO A 4 -15.892 -4.408 -7.163 1.00 0.00 O ATOM 52 CB PRO A 4 -14.666 -6.985 -5.526 1.00 0.00 C ATOM 53 CG PRO A 4 -16.102 -7.283 -5.227 1.00 0.00 C ATOM 54 CD PRO A 4 -16.585 -6.182 -4.272 1.00 0.00 C ATOM 0 HA PRO A 4 -13.572 -5.110 -5.151 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -14.382 -7.357 -6.510 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -14.004 -7.461 -4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -16.695 -7.291 -6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -16.207 -8.267 -4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -17.604 -5.872 -4.503 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -16.582 -6.522 -3.236 1.00 0.00 H new ATOM 62 N VAL A 5 -13.705 -4.731 -7.610 1.00 0.00 N ATOM 63 CA VAL A 5 -13.771 -4.138 -8.946 1.00 0.00 C ATOM 64 C VAL A 5 -12.852 -4.891 -9.905 1.00 0.00 C ATOM 65 O VAL A 5 -13.296 -5.404 -10.931 1.00 0.00 O ATOM 66 CB VAL A 5 -13.346 -2.669 -8.886 1.00 0.00 C ATOM 67 CG1 VAL A 5 -13.693 -1.981 -10.208 1.00 0.00 C ATOM 68 CG2 VAL A 5 -14.083 -1.971 -7.740 1.00 0.00 C ATOM 0 H VAL A 5 -12.779 -5.066 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.798 -4.206 -9.306 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.271 -2.610 -8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.390 -0.935 -10.164 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.169 -2.477 -11.025 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -14.768 -2.040 -10.378 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -13.781 -0.925 -7.697 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -15.158 -2.031 -7.909 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.836 -2.459 -6.797 1.00 0.00 H new ATOM 78 N ASN A 6 -11.569 -4.948 -9.563 1.00 0.00 N ATOM 79 CA ASN A 6 -10.593 -5.637 -10.400 1.00 0.00 C ATOM 80 C ASN A 6 -11.010 -7.088 -10.636 1.00 0.00 C ATOM 81 O ASN A 6 -11.992 -7.355 -11.329 1.00 0.00 O ATOM 82 CB ASN A 6 -9.216 -5.598 -9.734 1.00 0.00 C ATOM 83 CG ASN A 6 -9.322 -6.080 -8.292 1.00 0.00 C ATOM 84 OD1 ASN A 6 -8.906 -7.195 -7.976 1.00 0.00 O ATOM 85 ND2 ASN A 6 -9.860 -5.303 -7.392 1.00 0.00 N ATOM 0 H ASN A 6 -11.182 -4.528 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 6 -10.546 -5.128 -11.363 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -8.518 -6.227 -10.286 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -8.819 -4.583 -9.759 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -9.936 -5.619 -6.425 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -10.204 -4.380 -7.655 1.00 0.00 H new ATOM 92 N MET A 7 -10.251 -8.024 -10.061 1.00 0.00 N ATOM 93 CA MET A 7 -10.540 -9.451 -10.215 1.00 0.00 C ATOM 94 C MET A 7 -10.354 -10.184 -8.889 1.00 0.00 C ATOM 95 O MET A 7 -11.296 -10.772 -8.359 1.00 0.00 O ATOM 96 CB MET A 7 -9.607 -10.060 -11.267 1.00 0.00 C ATOM 97 CG MET A 7 -10.048 -9.617 -12.664 1.00 0.00 C ATOM 98 SD MET A 7 -11.529 -10.536 -13.149 1.00 0.00 S ATOM 99 CE MET A 7 -12.203 -9.297 -14.282 1.00 0.00 C ATOM 0 H MET A 7 -9.434 -7.820 -9.486 1.00 0.00 H new ATOM 0 HA MET A 7 -11.576 -9.559 -10.536 1.00 0.00 H new ATOM 0 HB2 MET A 7 -8.580 -9.745 -11.082 1.00 0.00 H new ATOM 0 HB3 MET A 7 -9.625 -11.148 -11.197 1.00 0.00 H new ATOM 0 HG2 MET A 7 -10.253 -8.547 -12.670 1.00 0.00 H new ATOM 0 HG3 MET A 7 -9.247 -9.792 -13.382 1.00 0.00 H new ATOM 0 HE1 MET A 7 -13.138 -9.663 -14.706 1.00 0.00 H new ATOM 0 HE2 MET A 7 -12.389 -8.370 -13.739 1.00 0.00 H new ATOM 0 HE3 MET A 7 -11.489 -9.111 -15.084 1.00 0.00 H new ATOM 109 N SER A 8 -9.129 -10.147 -8.356 1.00 0.00 N ATOM 110 CA SER A 8 -8.820 -10.816 -7.089 1.00 0.00 C ATOM 111 C SER A 8 -8.321 -9.800 -6.068 1.00 0.00 C ATOM 112 O SER A 8 -7.850 -8.722 -6.431 1.00 0.00 O ATOM 113 CB SER A 8 -7.751 -11.885 -7.315 1.00 0.00 C ATOM 114 OG SER A 8 -7.345 -12.419 -6.062 1.00 0.00 O ATOM 0 H SER A 8 -8.338 -9.663 -8.780 1.00 0.00 H new ATOM 0 HA SER A 8 -9.727 -11.287 -6.708 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.143 -12.679 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.895 -11.455 -7.834 1.00 0.00 H new ATOM 0 HG SER A 8 -6.661 -13.106 -6.205 1.00 0.00 H new ATOM 120 N ARG A 9 -8.423 -10.147 -4.788 1.00 0.00 N ATOM 121 CA ARG A 9 -7.976 -9.259 -3.731 1.00 0.00 C ATOM 122 C ARG A 9 -6.460 -9.344 -3.581 1.00 0.00 C ATOM 123 O ARG A 9 -5.822 -8.400 -3.136 1.00 0.00 O ATOM 124 CB ARG A 9 -8.663 -9.635 -2.417 1.00 0.00 C ATOM 125 CG ARG A 9 -8.301 -11.072 -2.044 1.00 0.00 C ATOM 126 CD ARG A 9 -9.089 -11.494 -0.800 1.00 0.00 C ATOM 127 NE ARG A 9 -9.240 -10.358 0.112 1.00 0.00 N ATOM 128 CZ ARG A 9 -10.334 -9.593 0.112 1.00 0.00 C ATOM 129 NH1 ARG A 9 -11.312 -9.834 -0.720 1.00 0.00 N ATOM 130 NH2 ARG A 9 -10.424 -8.591 0.946 1.00 0.00 N ATOM 0 H ARG A 9 -8.810 -11.033 -4.463 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.241 -8.234 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.353 -8.954 -1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.744 -9.536 -2.518 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.526 -11.742 -2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.231 -11.150 -1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.070 -11.869 -1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.574 -12.310 -0.294 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.487 -10.145 0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.243 -10.612 -1.376 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.144 -9.244 -0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.660 -8.396 1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.258 -8.004 0.950 1.00 0.00 H new ATOM 144 N GLU A 10 -5.882 -10.473 -3.968 1.00 0.00 N ATOM 145 CA GLU A 10 -4.436 -10.634 -3.870 1.00 0.00 C ATOM 146 C GLU A 10 -3.736 -9.435 -4.512 1.00 0.00 C ATOM 147 O GLU A 10 -2.645 -9.045 -4.098 1.00 0.00 O ATOM 148 CB GLU A 10 -4.011 -11.940 -4.552 1.00 0.00 C ATOM 149 CG GLU A 10 -2.484 -11.980 -4.738 1.00 0.00 C ATOM 150 CD GLU A 10 -2.088 -11.240 -6.016 1.00 0.00 C ATOM 151 OE1 GLU A 10 -2.292 -11.792 -7.083 1.00 0.00 O ATOM 152 OE2 GLU A 10 -1.589 -10.134 -5.906 1.00 0.00 O ATOM 0 H GLU A 10 -6.381 -11.278 -4.346 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.147 -10.682 -2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.332 -12.791 -3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.503 -12.028 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.994 -11.524 -3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.143 -13.014 -4.788 1.00 0.00 H new ATOM 159 N THR A 11 -4.387 -8.841 -5.507 1.00 0.00 N ATOM 160 CA THR A 11 -3.839 -7.671 -6.181 1.00 0.00 C ATOM 161 C THR A 11 -3.914 -6.491 -5.227 1.00 0.00 C ATOM 162 O THR A 11 -3.145 -5.536 -5.311 1.00 0.00 O ATOM 163 CB THR A 11 -4.662 -7.380 -7.438 1.00 0.00 C ATOM 164 OG1 THR A 11 -4.554 -8.480 -8.333 1.00 0.00 O ATOM 165 CG2 THR A 11 -4.149 -6.114 -8.123 1.00 0.00 C ATOM 0 H THR A 11 -5.292 -9.150 -5.863 1.00 0.00 H new ATOM 0 HA THR A 11 -2.803 -7.847 -6.470 1.00 0.00 H new ATOM 0 HB THR A 11 -5.705 -7.232 -7.157 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.081 -8.299 -9.139 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.742 -5.917 -9.016 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.233 -5.270 -7.438 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.105 -6.250 -8.404 1.00 0.00 H new ATOM 173 N ALA A 12 -4.861 -6.605 -4.317 1.00 0.00 N ATOM 174 CA ALA A 12 -5.103 -5.595 -3.297 1.00 0.00 C ATOM 175 C ALA A 12 -4.130 -5.760 -2.127 1.00 0.00 C ATOM 176 O ALA A 12 -3.226 -4.948 -1.927 1.00 0.00 O ATOM 177 CB ALA A 12 -6.550 -5.728 -2.805 1.00 0.00 C ATOM 0 H ALA A 12 -5.491 -7.406 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.946 -4.605 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.745 -4.977 -2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.234 -5.580 -3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.701 -6.722 -2.384 1.00 0.00 H new ATOM 183 N LEU A 13 -4.345 -6.816 -1.362 1.00 0.00 N ATOM 184 CA LEU A 13 -3.528 -7.133 -0.191 1.00 0.00 C ATOM 185 C LEU A 13 -2.059 -6.708 -0.350 1.00 0.00 C ATOM 186 O LEU A 13 -1.442 -6.251 0.612 1.00 0.00 O ATOM 187 CB LEU A 13 -3.583 -8.651 0.046 1.00 0.00 C ATOM 188 CG LEU A 13 -4.887 -9.068 0.757 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.112 -8.413 0.107 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.035 -10.586 0.643 1.00 0.00 C ATOM 0 H LEU A 13 -5.095 -7.486 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.935 -6.576 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.506 -9.172 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.726 -8.957 0.647 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.833 -8.748 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.014 -8.728 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.018 -7.329 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.175 -8.717 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.952 -10.900 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.077 -10.870 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.181 -11.071 1.116 1.00 0.00 H new ATOM 202 N ARG A 14 -1.484 -6.911 -1.532 1.00 0.00 N ATOM 203 CA ARG A 14 -0.066 -6.593 -1.739 1.00 0.00 C ATOM 204 C ARG A 14 0.195 -5.096 -1.939 1.00 0.00 C ATOM 205 O ARG A 14 1.258 -4.603 -1.561 1.00 0.00 O ATOM 206 CB ARG A 14 0.470 -7.388 -2.942 1.00 0.00 C ATOM 207 CG ARG A 14 0.777 -8.832 -2.511 1.00 0.00 C ATOM 208 CD ARG A 14 1.167 -9.682 -3.729 1.00 0.00 C ATOM 209 NE ARG A 14 2.028 -10.783 -3.312 1.00 0.00 N ATOM 210 CZ ARG A 14 1.537 -11.836 -2.667 1.00 0.00 C ATOM 211 NH1 ARG A 14 0.259 -11.909 -2.415 1.00 0.00 N ATOM 212 NH2 ARG A 14 2.333 -12.799 -2.292 1.00 0.00 N ATOM 0 H ARG A 14 -1.963 -7.287 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 14 0.461 -6.880 -0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.264 -7.387 -3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.371 -6.915 -3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.587 -8.836 -1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.095 -9.265 -2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.271 -10.072 -4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.683 -9.064 -4.464 1.00 0.00 H new ATOM 0 HE ARG A 14 3.026 -10.744 -3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.363 -11.158 -2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.118 -12.717 -1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.331 -12.743 -2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.957 -13.608 -1.797 1.00 0.00 H new ATOM 226 N ILE A 15 -0.743 -4.374 -2.537 1.00 0.00 N ATOM 227 CA ILE A 15 -0.537 -2.950 -2.767 1.00 0.00 C ATOM 228 C ILE A 15 -0.472 -2.169 -1.457 1.00 0.00 C ATOM 229 O ILE A 15 -0.019 -1.025 -1.436 1.00 0.00 O ATOM 230 CB ILE A 15 -1.660 -2.411 -3.647 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.569 -3.081 -5.029 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.521 -0.893 -3.797 1.00 0.00 C ATOM 233 CD1 ILE A 15 -2.907 -2.960 -5.755 1.00 0.00 C ATOM 0 H ILE A 15 -1.636 -4.741 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 15 0.421 -2.821 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.625 -2.631 -3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.782 -2.612 -5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.300 -4.131 -4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.326 -0.514 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.577 -0.424 -2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.561 -0.659 -4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.835 -3.437 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.685 -3.450 -5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.158 -1.907 -5.882 1.00 0.00 H new ATOM 245 N ALA A 16 -0.927 -2.780 -0.363 1.00 0.00 N ATOM 246 CA ALA A 16 -0.911 -2.113 0.936 1.00 0.00 C ATOM 247 C ALA A 16 0.329 -2.483 1.730 1.00 0.00 C ATOM 248 O ALA A 16 0.697 -1.787 2.674 1.00 0.00 O ATOM 249 CB ALA A 16 -2.170 -2.463 1.723 1.00 0.00 C ATOM 0 H ALA A 16 -1.307 -3.726 -0.351 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.888 -1.037 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.146 -1.960 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.049 -2.138 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.215 -3.541 1.876 1.00 0.00 H new ATOM 255 N LEU A 17 0.990 -3.558 1.338 1.00 0.00 N ATOM 256 CA LEU A 17 2.206 -3.962 2.026 1.00 0.00 C ATOM 257 C LEU A 17 3.314 -2.989 1.639 1.00 0.00 C ATOM 258 O LEU A 17 4.223 -2.714 2.422 1.00 0.00 O ATOM 259 CB LEU A 17 2.590 -5.410 1.646 1.00 0.00 C ATOM 260 CG LEU A 17 2.044 -6.429 2.673 1.00 0.00 C ATOM 261 CD1 LEU A 17 2.944 -6.462 3.920 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.597 -6.078 3.082 1.00 0.00 C ATOM 0 H LEU A 17 0.713 -4.158 0.561 1.00 0.00 H new ATOM 0 HA LEU A 17 2.052 -3.939 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.198 -5.644 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.675 -5.496 1.588 1.00 0.00 H new ATOM 0 HG LEU A 17 2.043 -7.413 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.549 -7.183 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.954 -6.753 3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.968 -5.473 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.236 -6.809 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.576 -5.084 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.044 -6.092 2.200 1.00 0.00 H new ATOM 274 N ALA A 18 3.212 -2.462 0.423 1.00 0.00 N ATOM 275 CA ALA A 18 4.189 -1.508 -0.073 1.00 0.00 C ATOM 276 C ALA A 18 4.306 -0.332 0.887 1.00 0.00 C ATOM 277 O ALA A 18 5.403 0.138 1.173 1.00 0.00 O ATOM 278 CB ALA A 18 3.770 -1.019 -1.462 1.00 0.00 C ATOM 0 H ALA A 18 2.463 -2.681 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 18 5.162 -1.995 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.504 -0.303 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.713 -1.867 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.794 -0.538 -1.399 1.00 0.00 H new ATOM 284 N ALA A 19 3.164 0.139 1.383 1.00 0.00 N ATOM 285 CA ALA A 19 3.161 1.263 2.321 1.00 0.00 C ATOM 286 C ALA A 19 4.305 1.114 3.327 1.00 0.00 C ATOM 287 O ALA A 19 4.929 2.099 3.720 1.00 0.00 O ATOM 288 CB ALA A 19 1.820 1.345 3.053 1.00 0.00 C ATOM 0 H ALA A 19 2.241 -0.232 1.157 1.00 0.00 H new ATOM 0 HA ALA A 19 3.305 2.185 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.835 2.186 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.018 1.486 2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.651 0.421 3.606 1.00 0.00 H new ATOM 294 N ARG A 20 4.586 -0.128 3.723 1.00 0.00 N ATOM 295 CA ARG A 20 5.672 -0.383 4.663 1.00 0.00 C ATOM 296 C ARG A 20 6.999 0.024 4.032 1.00 0.00 C ATOM 297 O ARG A 20 7.861 0.606 4.691 1.00 0.00 O ATOM 298 CB ARG A 20 5.709 -1.867 5.037 1.00 0.00 C ATOM 299 CG ARG A 20 4.406 -2.246 5.745 1.00 0.00 C ATOM 300 CD ARG A 20 4.562 -3.616 6.408 1.00 0.00 C ATOM 301 NE ARG A 20 5.639 -3.583 7.391 1.00 0.00 N ATOM 302 CZ ARG A 20 6.014 -4.681 8.039 1.00 0.00 C ATOM 303 NH1 ARG A 20 5.420 -5.818 7.799 1.00 0.00 N ATOM 304 NH2 ARG A 20 6.980 -4.622 8.916 1.00 0.00 N ATOM 0 H ARG A 20 4.084 -0.960 3.412 1.00 0.00 H new ATOM 0 HA ARG A 20 5.505 0.203 5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.840 -2.476 4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.561 -2.068 5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.155 -1.495 6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.584 -2.269 5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.628 -3.902 6.891 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.774 -4.372 5.652 1.00 0.00 H new ATOM 0 HE ARG A 20 6.113 -2.701 7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.667 -5.865 7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.709 -6.660 8.297 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.446 -3.734 9.103 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.269 -5.464 9.414 1.00 0.00 H new ATOM 318 N ALA A 21 7.147 -0.279 2.745 1.00 0.00 N ATOM 319 CA ALA A 21 8.360 0.062 2.013 1.00 0.00 C ATOM 320 C ALA A 21 8.599 1.559 2.052 1.00 0.00 C ATOM 321 O ALA A 21 9.608 2.051 1.548 1.00 0.00 O ATOM 322 CB ALA A 21 8.216 -0.356 0.554 1.00 0.00 C ATOM 0 H ALA A 21 6.441 -0.760 2.189 1.00 0.00 H new ATOM 0 HA ALA A 21 9.196 -0.459 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.125 -0.099 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.052 -1.432 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.368 0.164 0.109 1.00 0.00 H new ATOM 328 N LEU A 22 7.655 2.281 2.641 1.00 0.00 N ATOM 329 CA LEU A 22 7.743 3.734 2.740 1.00 0.00 C ATOM 330 C LEU A 22 7.665 4.149 4.220 1.00 0.00 C ATOM 331 O LEU A 22 6.639 3.924 4.861 1.00 0.00 O ATOM 332 CB LEU A 22 6.572 4.373 1.976 1.00 0.00 C ATOM 333 CG LEU A 22 6.287 3.616 0.666 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.998 4.165 0.038 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.464 3.786 -0.312 1.00 0.00 C ATOM 0 H LEU A 22 6.815 1.883 3.060 1.00 0.00 H new ATOM 0 HA LEU A 22 8.687 4.070 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.680 4.371 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.803 5.415 1.755 1.00 0.00 H new ATOM 0 HG LEU A 22 6.165 2.554 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.790 3.633 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.168 4.025 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.120 5.228 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.251 3.246 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.603 4.844 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.373 3.388 0.140 1.00 0.00 H new ATOM 347 N PRO A 23 8.699 4.731 4.788 1.00 0.00 N ATOM 348 CA PRO A 23 8.680 5.143 6.221 1.00 0.00 C ATOM 349 C PRO A 23 7.986 6.488 6.432 1.00 0.00 C ATOM 350 O PRO A 23 8.610 7.457 6.865 1.00 0.00 O ATOM 351 CB PRO A 23 10.166 5.222 6.568 1.00 0.00 C ATOM 352 CG PRO A 23 10.816 5.677 5.302 1.00 0.00 C ATOM 353 CD PRO A 23 9.992 5.067 4.156 1.00 0.00 C ATOM 0 HA PRO A 23 8.120 4.451 6.850 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.348 5.923 7.383 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.552 4.254 6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.826 6.765 5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.853 5.345 5.256 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.864 5.773 3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.476 4.182 3.742 1.00 0.00 H new ATOM 361 N GLY A 24 6.688 6.540 6.133 1.00 0.00 N ATOM 362 CA GLY A 24 5.926 7.774 6.305 1.00 0.00 C ATOM 363 C GLY A 24 4.703 7.810 5.392 1.00 0.00 C ATOM 364 O GLY A 24 3.596 8.114 5.835 1.00 0.00 O ATOM 0 H GLY A 24 6.149 5.752 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.608 7.865 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.566 8.630 6.092 1.00 0.00 H new ATOM 368 N THR A 25 4.911 7.511 4.114 1.00 0.00 N ATOM 369 CA THR A 25 3.816 7.526 3.147 1.00 0.00 C ATOM 370 C THR A 25 2.825 6.400 3.418 1.00 0.00 C ATOM 371 O THR A 25 3.214 5.252 3.632 1.00 0.00 O ATOM 372 CB THR A 25 4.366 7.375 1.731 1.00 0.00 C ATOM 373 OG1 THR A 25 5.400 8.327 1.519 1.00 0.00 O ATOM 374 CG2 THR A 25 3.247 7.598 0.717 1.00 0.00 C ATOM 0 H THR A 25 5.819 7.257 3.725 1.00 0.00 H new ATOM 0 HA THR A 25 3.299 8.480 3.246 1.00 0.00 H new ATOM 0 HB THR A 25 4.768 6.370 1.606 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.754 8.229 0.610 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.644 7.489 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.458 6.863 0.878 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.839 8.601 0.840 1.00 0.00 H new ATOM 382 N THR A 26 1.539 6.742 3.402 1.00 0.00 N ATOM 383 CA THR A 26 0.483 5.770 3.637 1.00 0.00 C ATOM 384 C THR A 26 0.128 5.055 2.330 1.00 0.00 C ATOM 385 O THR A 26 0.602 5.426 1.257 1.00 0.00 O ATOM 386 CB THR A 26 -0.750 6.504 4.217 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.402 7.856 4.467 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.187 5.862 5.533 1.00 0.00 C ATOM 0 H THR A 26 1.206 7.690 3.228 1.00 0.00 H new ATOM 0 HA THR A 26 0.820 5.017 4.350 1.00 0.00 H new ATOM 0 HB THR A 26 -1.568 6.440 3.500 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.177 8.331 4.833 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.055 6.392 5.926 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.447 4.818 5.360 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.371 5.918 6.254 1.00 0.00 H new ATOM 396 N VAL A 27 -0.697 4.021 2.439 1.00 0.00 N ATOM 397 CA VAL A 27 -1.098 3.245 1.270 1.00 0.00 C ATOM 398 C VAL A 27 -1.833 4.109 0.254 1.00 0.00 C ATOM 399 O VAL A 27 -1.415 4.228 -0.898 1.00 0.00 O ATOM 400 CB VAL A 27 -2.031 2.100 1.677 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.272 1.195 0.466 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.417 1.271 2.814 1.00 0.00 C ATOM 0 H VAL A 27 -1.100 3.701 3.320 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.185 2.852 0.823 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.972 2.524 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.935 0.378 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.731 1.774 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.322 0.788 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.098 0.464 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.468 0.849 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.249 1.910 3.681 1.00 0.00 H new ATOM 412 N GLY A 28 -2.951 4.678 0.682 1.00 0.00 N ATOM 413 CA GLY A 28 -3.771 5.495 -0.201 1.00 0.00 C ATOM 414 C GLY A 28 -3.141 6.851 -0.497 1.00 0.00 C ATOM 415 O GLY A 28 -3.791 7.713 -1.090 1.00 0.00 O ATOM 0 H GLY A 28 -3.310 4.589 1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.933 4.961 -1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.750 5.645 0.254 1.00 0.00 H new ATOM 419 N GLN A 29 -1.881 7.057 -0.099 1.00 0.00 N ATOM 420 CA GLN A 29 -1.222 8.341 -0.360 1.00 0.00 C ATOM 421 C GLN A 29 -0.317 8.235 -1.579 1.00 0.00 C ATOM 422 O GLN A 29 0.059 9.246 -2.173 1.00 0.00 O ATOM 423 CB GLN A 29 -0.393 8.779 0.856 1.00 0.00 C ATOM 424 CG GLN A 29 -1.317 9.271 1.976 1.00 0.00 C ATOM 425 CD GLN A 29 -2.045 10.544 1.552 1.00 0.00 C ATOM 426 OE1 GLN A 29 -3.275 10.574 1.517 1.00 0.00 O ATOM 427 NE2 GLN A 29 -1.355 11.602 1.227 1.00 0.00 N ATOM 0 H GLN A 29 -1.309 6.370 0.393 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.995 9.085 -0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.211 7.945 1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.297 9.572 0.569 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.042 8.496 2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.735 9.462 2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.336 11.575 1.257 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.835 12.456 0.943 1.00 0.00 H new ATOM 436 N LEU A 30 0.037 7.008 -1.945 1.00 0.00 N ATOM 437 CA LEU A 30 0.914 6.780 -3.091 1.00 0.00 C ATOM 438 C LEU A 30 0.103 6.539 -4.364 1.00 0.00 C ATOM 439 O LEU A 30 0.620 6.683 -5.472 1.00 0.00 O ATOM 440 CB LEU A 30 1.814 5.577 -2.792 1.00 0.00 C ATOM 441 CG LEU A 30 2.673 5.220 -4.012 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.503 6.438 -4.440 1.00 0.00 C ATOM 443 CD2 LEU A 30 3.612 4.066 -3.638 1.00 0.00 C ATOM 0 H LEU A 30 -0.267 6.159 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 30 1.526 7.667 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.458 5.802 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.202 4.721 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 30 2.028 4.922 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.111 6.178 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.836 7.260 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.153 6.742 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.227 3.804 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.254 4.373 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.022 3.200 -3.337 1.00 0.00 H new ATOM 455 N LEU A 31 -1.168 6.171 -4.207 1.00 0.00 N ATOM 456 CA LEU A 31 -2.033 5.912 -5.361 1.00 0.00 C ATOM 457 C LEU A 31 -2.847 7.154 -5.720 1.00 0.00 C ATOM 458 O LEU A 31 -3.002 7.489 -6.895 1.00 0.00 O ATOM 459 CB LEU A 31 -2.989 4.756 -5.046 1.00 0.00 C ATOM 460 CG LEU A 31 -2.220 3.609 -4.381 1.00 0.00 C ATOM 461 CD1 LEU A 31 -3.195 2.478 -4.044 1.00 0.00 C ATOM 462 CD2 LEU A 31 -1.141 3.087 -5.339 1.00 0.00 C ATOM 0 H LEU A 31 -1.620 6.046 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.400 5.649 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.786 5.101 -4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.463 4.404 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.746 3.969 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.653 1.659 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.960 2.849 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.667 2.120 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.596 2.272 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.611 2.725 -6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.449 3.893 -5.582 1.00 0.00 H new ATOM 474 N GLU A 32 -3.371 7.827 -4.702 1.00 0.00 N ATOM 475 CA GLU A 32 -4.177 9.024 -4.918 1.00 0.00 C ATOM 476 C GLU A 32 -3.417 10.054 -5.753 1.00 0.00 C ATOM 477 O GLU A 32 -4.019 10.943 -6.356 1.00 0.00 O ATOM 478 CB GLU A 32 -4.564 9.640 -3.568 1.00 0.00 C ATOM 479 CG GLU A 32 -5.740 10.610 -3.747 1.00 0.00 C ATOM 480 CD GLU A 32 -7.048 9.834 -3.880 1.00 0.00 C ATOM 481 OE1 GLU A 32 -7.295 9.307 -4.953 1.00 0.00 O ATOM 482 OE2 GLU A 32 -7.786 9.783 -2.910 1.00 0.00 O ATOM 0 H GLU A 32 -3.253 7.566 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.077 8.736 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.836 8.853 -2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.710 10.167 -3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.795 11.287 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.582 11.225 -4.633 1.00 0.00 H new ATOM 489 N ILE A 33 -2.094 9.934 -5.783 1.00 0.00 N ATOM 490 CA ILE A 33 -1.271 10.870 -6.544 1.00 0.00 C ATOM 491 C ILE A 33 -1.807 11.041 -7.963 1.00 0.00 C ATOM 492 O ILE A 33 -1.470 12.007 -8.646 1.00 0.00 O ATOM 493 CB ILE A 33 0.186 10.379 -6.580 1.00 0.00 C ATOM 494 CG1 ILE A 33 0.295 9.072 -7.413 1.00 0.00 C ATOM 495 CG2 ILE A 33 0.649 10.118 -5.141 1.00 0.00 C ATOM 496 CD1 ILE A 33 0.609 9.372 -8.895 1.00 0.00 C ATOM 0 H ILE A 33 -1.572 9.206 -5.295 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.308 11.841 -6.050 1.00 0.00 H new ATOM 0 HB ILE A 33 0.816 11.137 -7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.076 8.437 -6.995 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.640 8.515 -7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.681 9.769 -5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.582 11.041 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.013 9.359 -4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.678 8.436 -9.449 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.186 9.986 -9.318 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.556 9.906 -8.965 1.00 0.00 H new ATOM 508 N LEU A 34 -2.641 10.105 -8.406 1.00 0.00 N ATOM 509 CA LEU A 34 -3.207 10.180 -9.751 1.00 0.00 C ATOM 510 C LEU A 34 -4.029 11.457 -9.912 1.00 0.00 C ATOM 511 O LEU A 34 -3.506 12.493 -10.323 1.00 0.00 O ATOM 512 CB LEU A 34 -4.095 8.954 -10.020 1.00 0.00 C ATOM 513 CG LEU A 34 -3.219 7.715 -10.306 1.00 0.00 C ATOM 514 CD1 LEU A 34 -3.990 6.440 -9.952 1.00 0.00 C ATOM 515 CD2 LEU A 34 -2.841 7.664 -11.795 1.00 0.00 C ATOM 0 H LEU A 34 -2.938 9.295 -7.862 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.388 10.194 -10.470 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.736 8.764 -9.159 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.750 9.149 -10.869 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.315 7.784 -9.701 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.367 5.569 -10.156 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.255 6.457 -8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.898 6.385 -10.553 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.223 6.786 -11.984 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.747 7.607 -12.399 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.284 8.563 -12.060 1.00 0.00 H new ATOM 527 N HIS A 35 -5.315 11.376 -9.586 1.00 0.00 N ATOM 528 CA HIS A 35 -6.198 12.531 -9.699 1.00 0.00 C ATOM 529 C HIS A 35 -7.529 12.253 -8.994 1.00 0.00 C ATOM 530 O HIS A 35 -7.549 11.728 -7.881 1.00 0.00 O ATOM 531 CB HIS A 35 -6.441 12.854 -11.178 1.00 0.00 C ATOM 532 CG HIS A 35 -7.013 11.646 -11.868 1.00 0.00 C ATOM 533 ND1 HIS A 35 -7.454 10.534 -11.168 1.00 0.00 N ATOM 534 CD2 HIS A 35 -7.213 11.357 -13.197 1.00 0.00 C ATOM 535 CE1 HIS A 35 -7.894 9.636 -12.068 1.00 0.00 C ATOM 536 NE2 HIS A 35 -7.768 10.086 -13.320 1.00 0.00 N ATOM 0 H HIS A 35 -5.767 10.528 -9.243 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.724 13.388 -9.220 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.126 13.697 -11.269 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.507 13.150 -11.655 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.976 12.015 -14.020 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.300 8.669 -11.810 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.024 9.602 -14.181 1.00 0.00 H new ATOM 545 N GLN A 36 -8.637 12.602 -9.647 1.00 0.00 N ATOM 546 CA GLN A 36 -9.956 12.378 -9.067 1.00 0.00 C ATOM 547 C GLN A 36 -10.052 10.967 -8.494 1.00 0.00 C ATOM 548 O GLN A 36 -9.190 10.126 -8.743 1.00 0.00 O ATOM 549 CB GLN A 36 -11.036 12.583 -10.133 1.00 0.00 C ATOM 550 CG GLN A 36 -10.802 13.919 -10.849 1.00 0.00 C ATOM 551 CD GLN A 36 -12.064 14.343 -11.596 1.00 0.00 C ATOM 552 OE1 GLN A 36 -12.783 13.499 -12.131 1.00 0.00 O ATOM 553 NE2 GLN A 36 -12.375 15.610 -11.665 1.00 0.00 N ATOM 0 H GLN A 36 -8.646 13.037 -10.570 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.109 13.094 -8.260 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.012 11.764 -10.852 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.024 12.574 -9.672 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.524 14.685 -10.125 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.971 13.825 -11.548 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.777 16.307 -11.221 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.216 15.902 -12.163 1.00 0.00 H new ATOM 562 N ARG A 37 -11.103 10.719 -7.717 1.00 0.00 N ATOM 563 CA ARG A 37 -11.301 9.409 -7.103 1.00 0.00 C ATOM 564 C ARG A 37 -11.968 8.451 -8.088 1.00 0.00 C ATOM 565 O ARG A 37 -11.311 7.578 -8.655 1.00 0.00 O ATOM 566 CB ARG A 37 -12.165 9.561 -5.842 1.00 0.00 C ATOM 567 CG ARG A 37 -12.558 8.186 -5.281 1.00 0.00 C ATOM 568 CD ARG A 37 -11.311 7.325 -5.057 1.00 0.00 C ATOM 569 NE ARG A 37 -11.624 6.219 -4.159 1.00 0.00 N ATOM 570 CZ ARG A 37 -10.662 5.508 -3.579 1.00 0.00 C ATOM 571 NH1 ARG A 37 -9.410 5.812 -3.784 1.00 0.00 N ATOM 572 NH2 ARG A 37 -10.971 4.510 -2.799 1.00 0.00 N ATOM 0 H ARG A 37 -11.827 11.403 -7.498 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.331 8.995 -6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.617 10.124 -5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.063 10.133 -6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.096 8.310 -4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.235 7.684 -5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.949 6.939 -6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.511 7.932 -4.634 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.600 5.987 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.168 6.596 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.673 5.266 -3.338 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.950 4.275 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.234 3.964 -2.353 1.00 0.00 H new ATOM 586 N ILE A 38 -13.274 8.616 -8.285 1.00 0.00 N ATOM 587 CA ILE A 38 -14.012 7.749 -9.201 1.00 0.00 C ATOM 588 C ILE A 38 -13.235 7.548 -10.501 1.00 0.00 C ATOM 589 O ILE A 38 -12.620 8.480 -11.020 1.00 0.00 O ATOM 590 CB ILE A 38 -15.397 8.341 -9.497 1.00 0.00 C ATOM 591 CG1 ILE A 38 -15.261 9.709 -10.177 1.00 0.00 C ATOM 592 CG2 ILE A 38 -16.165 8.512 -8.184 1.00 0.00 C ATOM 593 CD1 ILE A 38 -16.651 10.232 -10.544 1.00 0.00 C ATOM 0 H ILE A 38 -13.838 9.333 -7.829 1.00 0.00 H new ATOM 0 HA ILE A 38 -14.140 6.778 -8.723 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.933 7.664 -10.162 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.760 10.411 -9.510 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.644 9.623 -11.072 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -17.149 8.932 -8.390 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -16.279 7.542 -7.700 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -15.614 9.184 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.558 11.204 -11.028 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -17.135 9.532 -11.226 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -17.252 10.332 -9.640 1.00 0.00 H new ATOM 605 N GLU A 39 -13.267 6.323 -11.020 1.00 0.00 N ATOM 606 CA GLU A 39 -12.564 6.005 -12.260 1.00 0.00 C ATOM 607 C GLU A 39 -11.083 6.362 -12.152 1.00 0.00 C ATOM 608 O GLU A 39 -10.721 7.534 -12.055 1.00 0.00 O ATOM 609 CB GLU A 39 -13.200 6.769 -13.430 1.00 0.00 C ATOM 610 CG GLU A 39 -14.500 6.080 -13.854 1.00 0.00 C ATOM 611 CD GLU A 39 -15.502 6.092 -12.704 1.00 0.00 C ATOM 612 OE1 GLU A 39 -15.417 5.213 -11.861 1.00 0.00 O ATOM 613 OE2 GLU A 39 -16.341 6.978 -12.685 1.00 0.00 O ATOM 0 H GLU A 39 -13.769 5.539 -10.604 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.648 4.933 -12.438 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.403 7.799 -13.136 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.507 6.808 -14.271 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.924 6.588 -14.720 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.294 5.053 -14.156 1.00 0.00 H new ATOM 620 N GLY A 40 -10.231 5.340 -12.172 1.00 0.00 N ATOM 621 CA GLY A 40 -8.790 5.551 -12.080 1.00 0.00 C ATOM 622 C GLY A 40 -8.091 4.298 -11.555 1.00 0.00 C ATOM 623 O GLY A 40 -7.483 3.550 -12.320 1.00 0.00 O ATOM 0 H GLY A 40 -10.512 4.363 -12.251 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.392 5.811 -13.061 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.583 6.393 -11.419 1.00 0.00 H new ATOM 627 N PRO A 41 -8.172 4.059 -10.272 1.00 0.00 N ATOM 628 CA PRO A 41 -7.536 2.868 -9.632 1.00 0.00 C ATOM 629 C PRO A 41 -8.251 1.572 -10.022 1.00 0.00 C ATOM 630 O PRO A 41 -8.912 0.939 -9.198 1.00 0.00 O ATOM 631 CB PRO A 41 -7.665 3.158 -8.127 1.00 0.00 C ATOM 632 CG PRO A 41 -8.854 4.061 -8.008 1.00 0.00 C ATOM 633 CD PRO A 41 -8.882 4.897 -9.291 1.00 0.00 C ATOM 0 HA PRO A 41 -6.502 2.721 -9.945 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.809 2.239 -7.559 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.766 3.636 -7.738 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.772 3.484 -7.899 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.772 4.700 -7.128 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.903 5.107 -9.609 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.387 5.858 -9.153 1.00 0.00 H new ATOM 641 N LEU A 42 -8.117 1.189 -11.289 1.00 0.00 N ATOM 642 CA LEU A 42 -8.756 -0.025 -11.787 1.00 0.00 C ATOM 643 C LEU A 42 -7.895 -1.255 -11.502 1.00 0.00 C ATOM 644 O LEU A 42 -7.794 -1.702 -10.359 1.00 0.00 O ATOM 645 CB LEU A 42 -8.993 0.102 -13.299 1.00 0.00 C ATOM 646 CG LEU A 42 -10.100 1.144 -13.581 1.00 0.00 C ATOM 647 CD1 LEU A 42 -9.882 1.778 -14.960 1.00 0.00 C ATOM 648 CD2 LEU A 42 -11.481 0.470 -13.553 1.00 0.00 C ATOM 0 H LEU A 42 -7.575 1.699 -11.986 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.709 -0.148 -11.273 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.069 0.399 -13.795 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.280 -0.865 -13.712 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.055 1.914 -12.811 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.666 2.511 -15.152 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.910 2.271 -14.984 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.915 1.003 -15.726 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.253 1.213 -13.753 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.521 -0.309 -14.315 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.650 0.027 -12.572 1.00 0.00 H new ATOM 660 N THR A 43 -7.289 -1.808 -12.551 1.00 0.00 N ATOM 661 CA THR A 43 -6.449 -3.000 -12.410 1.00 0.00 C ATOM 662 C THR A 43 -4.999 -2.611 -12.137 1.00 0.00 C ATOM 663 O THR A 43 -4.626 -1.445 -12.251 1.00 0.00 O ATOM 664 CB THR A 43 -6.521 -3.854 -13.693 1.00 0.00 C ATOM 665 OG1 THR A 43 -5.399 -3.571 -14.517 1.00 0.00 O ATOM 666 CG2 THR A 43 -7.809 -3.533 -14.461 1.00 0.00 C ATOM 0 H THR A 43 -7.362 -1.453 -13.504 1.00 0.00 H new ATOM 0 HA THR A 43 -6.821 -3.581 -11.566 1.00 0.00 H new ATOM 0 HB THR A 43 -6.517 -4.909 -13.420 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.445 -4.115 -15.331 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.854 -4.139 -15.366 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.672 -3.754 -13.833 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.818 -2.477 -14.731 1.00 0.00 H new ATOM 674 N GLU A 44 -4.189 -3.603 -11.778 1.00 0.00 N ATOM 675 CA GLU A 44 -2.780 -3.366 -11.492 1.00 0.00 C ATOM 676 C GLU A 44 -2.062 -2.854 -12.735 1.00 0.00 C ATOM 677 O GLU A 44 -1.060 -2.145 -12.640 1.00 0.00 O ATOM 678 CB GLU A 44 -2.122 -4.664 -11.019 1.00 0.00 C ATOM 679 CG GLU A 44 -0.677 -4.385 -10.602 1.00 0.00 C ATOM 680 CD GLU A 44 -0.119 -5.575 -9.827 1.00 0.00 C ATOM 681 OE1 GLU A 44 -0.096 -6.659 -10.382 1.00 0.00 O ATOM 682 OE2 GLU A 44 0.282 -5.381 -8.690 1.00 0.00 O ATOM 0 H GLU A 44 -4.484 -4.574 -11.679 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.707 -2.613 -10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.679 -5.081 -10.180 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.144 -5.406 -11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.065 -4.196 -11.484 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.634 -3.487 -9.986 1.00 0.00 H new ATOM 689 N GLU A 45 -2.581 -3.222 -13.902 1.00 0.00 N ATOM 690 CA GLU A 45 -1.983 -2.799 -15.160 1.00 0.00 C ATOM 691 C GLU A 45 -2.070 -1.283 -15.312 1.00 0.00 C ATOM 692 O GLU A 45 -1.135 -0.643 -15.797 1.00 0.00 O ATOM 693 CB GLU A 45 -2.704 -3.472 -16.329 1.00 0.00 C ATOM 694 CG GLU A 45 -1.922 -3.231 -17.621 1.00 0.00 C ATOM 695 CD GLU A 45 -2.608 -3.939 -18.785 1.00 0.00 C ATOM 696 OE1 GLU A 45 -3.794 -3.717 -18.971 1.00 0.00 O ATOM 697 OE2 GLU A 45 -1.939 -4.692 -19.473 1.00 0.00 O ATOM 0 H GLU A 45 -3.409 -3.809 -14.001 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.933 -3.093 -15.160 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.799 -4.542 -16.144 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.714 -3.074 -16.424 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.857 -2.162 -17.822 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.901 -3.598 -17.512 1.00 0.00 H new ATOM 704 N SER A 46 -3.196 -0.715 -14.894 1.00 0.00 N ATOM 705 CA SER A 46 -3.392 0.727 -14.990 1.00 0.00 C ATOM 706 C SER A 46 -2.320 1.467 -14.191 1.00 0.00 C ATOM 707 O SER A 46 -1.755 2.455 -14.662 1.00 0.00 O ATOM 708 CB SER A 46 -4.781 1.104 -14.473 1.00 0.00 C ATOM 709 OG SER A 46 -4.810 0.967 -13.059 1.00 0.00 O ATOM 0 H SER A 46 -3.981 -1.226 -14.489 1.00 0.00 H new ATOM 0 HA SER A 46 -3.310 1.018 -16.037 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.021 2.129 -14.755 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.537 0.463 -14.927 1.00 0.00 H new ATOM 0 HG SER A 46 -4.517 0.065 -12.812 1.00 0.00 H new ATOM 715 N LEU A 47 -2.037 0.983 -12.985 1.00 0.00 N ATOM 716 CA LEU A 47 -1.023 1.611 -12.140 1.00 0.00 C ATOM 717 C LEU A 47 0.333 1.608 -12.846 1.00 0.00 C ATOM 718 O LEU A 47 1.134 2.527 -12.679 1.00 0.00 O ATOM 719 CB LEU A 47 -0.909 0.854 -10.805 1.00 0.00 C ATOM 720 CG LEU A 47 -2.012 1.307 -9.844 1.00 0.00 C ATOM 721 CD1 LEU A 47 -3.384 1.014 -10.458 1.00 0.00 C ATOM 722 CD2 LEU A 47 -1.868 0.550 -8.520 1.00 0.00 C ATOM 0 H LEU A 47 -2.489 0.167 -12.573 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.321 2.642 -11.948 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.987 -0.219 -10.979 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.069 1.034 -10.359 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.923 2.378 -9.665 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.166 1.338 -9.772 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.483 1.552 -11.401 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.480 -0.056 -10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.651 0.869 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.958 -0.521 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.892 0.763 -8.083 1.00 0.00 H new ATOM 734 N GLN A 48 0.583 0.563 -13.629 1.00 0.00 N ATOM 735 CA GLN A 48 1.846 0.441 -14.350 1.00 0.00 C ATOM 736 C GLN A 48 1.872 1.370 -15.558 1.00 0.00 C ATOM 737 O GLN A 48 1.756 0.926 -16.701 1.00 0.00 O ATOM 738 CB GLN A 48 2.048 -1.003 -14.809 1.00 0.00 C ATOM 739 CG GLN A 48 2.141 -1.916 -13.584 1.00 0.00 C ATOM 740 CD GLN A 48 2.274 -3.371 -14.024 1.00 0.00 C ATOM 741 OE1 GLN A 48 1.368 -3.913 -14.657 1.00 0.00 O ATOM 742 NE2 GLN A 48 3.354 -4.039 -13.725 1.00 0.00 N ATOM 0 H GLN A 48 -0.068 -0.208 -13.780 1.00 0.00 H new ATOM 0 HA GLN A 48 2.653 0.725 -13.675 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.220 -1.313 -15.446 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.956 -1.083 -15.406 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.998 -1.633 -12.974 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.254 -1.795 -12.963 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.104 -3.588 -13.200 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.449 -5.012 -14.016 1.00 0.00 H new ATOM 751 N GLY A 49 2.028 2.660 -15.293 1.00 0.00 N ATOM 752 CA GLY A 49 2.074 3.656 -16.359 1.00 0.00 C ATOM 753 C GLY A 49 2.785 4.917 -15.885 1.00 0.00 C ATOM 754 O GLY A 49 2.697 5.967 -16.520 1.00 0.00 O ATOM 0 H GLY A 49 2.125 3.042 -14.352 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.591 3.245 -17.226 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.061 3.901 -16.679 1.00 0.00 H new ATOM 758 N VAL A 50 3.487 4.806 -14.755 1.00 0.00 N ATOM 759 CA VAL A 50 4.215 5.942 -14.181 1.00 0.00 C ATOM 760 C VAL A 50 5.688 5.571 -13.978 1.00 0.00 C ATOM 761 O VAL A 50 6.076 4.418 -14.166 1.00 0.00 O ATOM 762 CB VAL A 50 3.535 6.346 -12.836 1.00 0.00 C ATOM 763 CG1 VAL A 50 4.345 5.870 -11.615 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.374 7.871 -12.756 1.00 0.00 C ATOM 0 H VAL A 50 3.567 3.942 -14.219 1.00 0.00 H new ATOM 0 HA VAL A 50 4.183 6.795 -14.859 1.00 0.00 H new ATOM 0 HB VAL A 50 2.559 5.861 -12.816 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.836 6.172 -10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.434 4.784 -11.639 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.339 6.316 -11.641 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.898 8.138 -11.812 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.354 8.344 -12.814 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.755 8.215 -13.584 1.00 0.00 H new ATOM 774 N SER A 51 6.496 6.551 -13.573 1.00 0.00 N ATOM 775 CA SER A 51 7.921 6.323 -13.319 1.00 0.00 C ATOM 776 C SER A 51 8.191 6.549 -11.840 1.00 0.00 C ATOM 777 O SER A 51 7.413 7.219 -11.174 1.00 0.00 O ATOM 778 CB SER A 51 8.768 7.287 -14.155 1.00 0.00 C ATOM 779 OG SER A 51 8.816 6.824 -15.497 1.00 0.00 O ATOM 0 H SER A 51 6.189 7.511 -13.413 1.00 0.00 H new ATOM 0 HA SER A 51 8.185 5.303 -13.596 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.342 8.290 -14.119 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.776 7.354 -13.745 1.00 0.00 H new ATOM 0 HG SER A 51 9.356 7.439 -16.036 1.00 0.00 H new ATOM 785 N VAL A 52 9.299 6.013 -11.335 1.00 0.00 N ATOM 786 CA VAL A 52 9.643 6.188 -9.924 1.00 0.00 C ATOM 787 C VAL A 52 9.640 7.676 -9.551 1.00 0.00 C ATOM 788 O VAL A 52 9.244 8.048 -8.446 1.00 0.00 O ATOM 789 CB VAL A 52 11.025 5.547 -9.636 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.755 6.290 -8.503 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.829 4.082 -9.226 1.00 0.00 C ATOM 0 H VAL A 52 9.967 5.461 -11.872 1.00 0.00 H new ATOM 0 HA VAL A 52 8.894 5.688 -9.311 1.00 0.00 H new ATOM 0 HB VAL A 52 11.628 5.612 -10.541 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.721 5.819 -8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.907 7.331 -8.789 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.155 6.247 -7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.799 3.628 -9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.211 4.035 -8.329 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.337 3.541 -10.034 1.00 0.00 H new ATOM 801 N THR A 53 10.108 8.512 -10.468 1.00 0.00 N ATOM 802 CA THR A 53 10.182 9.951 -10.220 1.00 0.00 C ATOM 803 C THR A 53 8.802 10.559 -9.955 1.00 0.00 C ATOM 804 O THR A 53 8.701 11.591 -9.309 1.00 0.00 O ATOM 805 CB THR A 53 10.832 10.647 -11.426 1.00 0.00 C ATOM 806 OG1 THR A 53 12.234 10.415 -11.401 1.00 0.00 O ATOM 807 CG2 THR A 53 10.564 12.158 -11.377 1.00 0.00 C ATOM 0 H THR A 53 10.442 8.223 -11.388 1.00 0.00 H new ATOM 0 HA THR A 53 10.787 10.104 -9.326 1.00 0.00 H new ATOM 0 HB THR A 53 10.404 10.242 -12.343 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.652 10.856 -12.170 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.030 12.638 -12.237 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.489 12.338 -11.399 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.982 12.572 -10.460 1.00 0.00 H new ATOM 815 N ASP A 54 7.752 9.938 -10.456 1.00 0.00 N ATOM 816 CA ASP A 54 6.410 10.472 -10.254 1.00 0.00 C ATOM 817 C ASP A 54 5.942 10.224 -8.822 1.00 0.00 C ATOM 818 O ASP A 54 5.132 10.977 -8.280 1.00 0.00 O ATOM 819 CB ASP A 54 5.432 9.832 -11.236 1.00 0.00 C ATOM 820 CG ASP A 54 4.068 10.505 -11.120 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.559 10.583 -10.014 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.550 10.930 -12.140 1.00 0.00 O ATOM 0 H ASP A 54 7.795 9.076 -10.999 1.00 0.00 H new ATOM 0 HA ASP A 54 6.441 11.547 -10.431 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.810 9.928 -12.254 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.340 8.766 -11.029 1.00 0.00 H new ATOM 827 N LEU A 55 6.417 9.136 -8.237 1.00 0.00 N ATOM 828 CA LEU A 55 6.013 8.752 -6.887 1.00 0.00 C ATOM 829 C LEU A 55 6.498 9.736 -5.823 1.00 0.00 C ATOM 830 O LEU A 55 5.688 10.393 -5.174 1.00 0.00 O ATOM 831 CB LEU A 55 6.554 7.356 -6.555 1.00 0.00 C ATOM 832 CG LEU A 55 5.852 6.293 -7.423 1.00 0.00 C ATOM 833 CD1 LEU A 55 6.167 6.532 -8.901 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.346 4.900 -7.007 1.00 0.00 C ATOM 0 H LEU A 55 7.084 8.500 -8.674 1.00 0.00 H new ATOM 0 HA LEU A 55 4.923 8.756 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.630 7.324 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.394 7.138 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 55 4.774 6.360 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.667 5.776 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.815 7.522 -9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.244 6.469 -9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.854 4.142 -7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.425 4.838 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.111 4.729 -5.956 1.00 0.00 H new ATOM 846 N LYS A 56 7.813 9.819 -5.621 1.00 0.00 N ATOM 847 CA LYS A 56 8.359 10.710 -4.590 1.00 0.00 C ATOM 848 C LYS A 56 7.821 12.136 -4.707 1.00 0.00 C ATOM 849 O LYS A 56 7.619 12.813 -3.699 1.00 0.00 O ATOM 850 CB LYS A 56 9.891 10.744 -4.673 1.00 0.00 C ATOM 851 CG LYS A 56 10.442 11.773 -3.681 1.00 0.00 C ATOM 852 CD LYS A 56 11.917 11.478 -3.378 1.00 0.00 C ATOM 853 CE LYS A 56 12.691 11.311 -4.686 1.00 0.00 C ATOM 854 NZ LYS A 56 14.150 11.443 -4.419 1.00 0.00 N ATOM 0 H LYS A 56 8.511 9.292 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 56 8.042 10.308 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.298 9.758 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.204 10.998 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.341 12.777 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.861 11.748 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.347 12.290 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.000 10.572 -2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.477 10.337 -5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.373 12.063 -5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.677 11.330 -5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.346 12.382 -4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.447 10.709 -3.744 1.00 0.00 H new ATOM 868 N ILE A 57 7.592 12.587 -5.928 1.00 0.00 N ATOM 869 CA ILE A 57 7.083 13.938 -6.152 1.00 0.00 C ATOM 870 C ILE A 57 5.567 13.949 -5.964 1.00 0.00 C ATOM 871 O ILE A 57 4.953 15.003 -5.803 1.00 0.00 O ATOM 872 CB ILE A 57 7.472 14.419 -7.563 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.612 13.711 -8.617 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.951 14.087 -7.799 1.00 0.00 C ATOM 875 CD1 ILE A 57 7.053 14.103 -10.034 1.00 0.00 C ATOM 0 H ILE A 57 7.748 12.045 -6.778 1.00 0.00 H new ATOM 0 HA ILE A 57 7.526 14.623 -5.429 1.00 0.00 H new ATOM 0 HB ILE A 57 7.308 15.494 -7.644 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.692 12.631 -8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.564 13.972 -8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.244 14.421 -8.794 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.561 14.594 -7.052 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.099 13.010 -7.719 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.429 13.589 -10.765 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.949 15.180 -10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.095 13.819 -10.183 1.00 0.00 H new ATOM 887 N GLY A 58 4.975 12.756 -6.005 1.00 0.00 N ATOM 888 CA GLY A 58 3.531 12.611 -5.855 1.00 0.00 C ATOM 889 C GLY A 58 3.073 12.933 -4.434 1.00 0.00 C ATOM 890 O GLY A 58 2.046 13.582 -4.243 1.00 0.00 O ATOM 0 H GLY A 58 5.475 11.877 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.024 13.272 -6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.240 11.592 -6.109 1.00 0.00 H new ATOM 894 N LEU A 59 3.833 12.480 -3.438 1.00 0.00 N ATOM 895 CA LEU A 59 3.470 12.744 -2.049 1.00 0.00 C ATOM 896 C LEU A 59 3.777 14.193 -1.703 1.00 0.00 C ATOM 897 O LEU A 59 2.907 14.918 -1.220 1.00 0.00 O ATOM 898 CB LEU A 59 4.229 11.816 -1.087 1.00 0.00 C ATOM 899 CG LEU A 59 3.969 10.329 -1.414 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.460 10.061 -1.520 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.659 9.931 -2.733 1.00 0.00 C ATOM 0 H LEU A 59 4.688 11.938 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 59 2.402 12.554 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.298 12.022 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.923 12.023 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 59 4.384 9.728 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.293 9.009 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.980 10.306 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.036 10.678 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.463 8.880 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.269 10.543 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.734 10.088 -2.643 1.00 0.00 H new ATOM 913 N ALA A 60 5.006 14.621 -1.967 1.00 0.00 N ATOM 914 CA ALA A 60 5.384 15.997 -1.690 1.00 0.00 C ATOM 915 C ALA A 60 4.679 16.921 -2.673 1.00 0.00 C ATOM 916 O ALA A 60 4.239 18.012 -2.309 1.00 0.00 O ATOM 917 CB ALA A 60 6.900 16.169 -1.812 1.00 0.00 C ATOM 0 H ALA A 60 5.746 14.044 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 60 5.087 16.249 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.167 17.205 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.399 15.514 -1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.215 15.911 -2.823 1.00 0.00 H new ATOM 923 N GLY A 61 4.562 16.465 -3.923 1.00 0.00 N ATOM 924 CA GLY A 61 3.889 17.251 -4.965 1.00 0.00 C ATOM 925 C GLY A 61 4.849 17.630 -6.089 1.00 0.00 C ATOM 926 O GLY A 61 4.553 17.409 -7.264 1.00 0.00 O ATOM 0 H GLY A 61 4.921 15.564 -4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.057 16.678 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.468 18.155 -4.525 1.00 0.00 H new ATOM 930 N SER A 62 5.996 18.213 -5.730 1.00 0.00 N ATOM 931 CA SER A 62 6.984 18.629 -6.731 1.00 0.00 C ATOM 932 C SER A 62 8.393 18.237 -6.307 1.00 0.00 C ATOM 933 O SER A 62 8.750 18.322 -5.132 1.00 0.00 O ATOM 934 CB SER A 62 6.918 20.144 -6.929 1.00 0.00 C ATOM 935 OG SER A 62 7.062 20.789 -5.671 1.00 0.00 O ATOM 0 H SER A 62 6.262 18.406 -4.765 1.00 0.00 H new ATOM 0 HA SER A 62 6.749 18.123 -7.667 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.706 20.468 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.968 20.421 -7.386 1.00 0.00 H new ATOM 0 HG SER A 62 7.022 21.760 -5.795 1.00 0.00 H new ATOM 941 N GLU A 63 9.188 17.807 -7.282 1.00 0.00 N ATOM 942 CA GLU A 63 10.560 17.396 -7.026 1.00 0.00 C ATOM 943 C GLU A 63 11.367 18.522 -6.388 1.00 0.00 C ATOM 944 O GLU A 63 12.559 18.366 -6.124 1.00 0.00 O ATOM 945 CB GLU A 63 11.233 16.977 -8.334 1.00 0.00 C ATOM 946 CG GLU A 63 11.103 18.105 -9.359 1.00 0.00 C ATOM 947 CD GLU A 63 11.699 17.667 -10.692 1.00 0.00 C ATOM 948 OE1 GLU A 63 12.639 16.890 -10.672 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.207 18.117 -11.714 1.00 0.00 O ATOM 0 H GLU A 63 8.902 17.735 -8.259 1.00 0.00 H new ATOM 0 HA GLU A 63 10.531 16.554 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.285 16.751 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.771 16.067 -8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.054 18.370 -9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.615 18.997 -8.998 1.00 0.00 H new ATOM 956 N GLU A 64 10.721 19.654 -6.148 1.00 0.00 N ATOM 957 CA GLU A 64 11.406 20.788 -5.548 1.00 0.00 C ATOM 958 C GLU A 64 11.623 20.580 -4.050 1.00 0.00 C ATOM 959 O GLU A 64 12.741 20.722 -3.555 1.00 0.00 O ATOM 960 CB GLU A 64 10.593 22.064 -5.773 1.00 0.00 C ATOM 961 CG GLU A 64 10.612 22.428 -7.259 1.00 0.00 C ATOM 962 CD GLU A 64 11.985 22.968 -7.649 1.00 0.00 C ATOM 963 OE1 GLU A 64 12.736 23.324 -6.756 1.00 0.00 O ATOM 964 OE2 GLU A 64 12.263 23.019 -8.836 1.00 0.00 O ATOM 0 H GLU A 64 9.735 19.811 -6.357 1.00 0.00 H new ATOM 0 HA GLU A 64 12.382 20.881 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.566 21.917 -5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.008 22.881 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.374 21.550 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.846 23.175 -7.468 1.00 0.00 H new ATOM 971 N ASP A 65 10.543 20.289 -3.320 1.00 0.00 N ATOM 972 CA ASP A 65 10.623 20.119 -1.866 1.00 0.00 C ATOM 973 C ASP A 65 10.830 18.662 -1.434 1.00 0.00 C ATOM 974 O ASP A 65 11.068 18.404 -0.254 1.00 0.00 O ATOM 975 CB ASP A 65 9.329 20.649 -1.234 1.00 0.00 C ATOM 976 CG ASP A 65 9.334 22.175 -1.230 1.00 0.00 C ATOM 977 OD1 ASP A 65 8.941 22.751 -2.231 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.729 22.743 -0.226 1.00 0.00 O ATOM 0 H ASP A 65 9.608 20.167 -3.709 1.00 0.00 H new ATOM 0 HA ASP A 65 11.495 20.677 -1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.467 20.282 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.233 20.275 -0.215 1.00 0.00 H new ATOM 983 N VAL A 66 10.733 17.708 -2.354 1.00 0.00 N ATOM 984 CA VAL A 66 10.914 16.312 -1.960 1.00 0.00 C ATOM 985 C VAL A 66 12.196 16.147 -1.150 1.00 0.00 C ATOM 986 O VAL A 66 12.327 15.209 -0.364 1.00 0.00 O ATOM 987 CB VAL A 66 10.965 15.380 -3.170 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.598 15.325 -3.851 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.996 15.874 -4.175 1.00 0.00 C ATOM 0 H VAL A 66 10.537 17.864 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 66 10.052 16.040 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 66 11.242 14.385 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.647 14.658 -4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.855 14.953 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.316 16.324 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.021 15.200 -5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.727 16.876 -4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.979 15.900 -3.705 1.00 0.00 H new ATOM 999 N ASP A 67 13.137 17.063 -1.346 1.00 0.00 N ATOM 1000 CA ASP A 67 14.405 17.007 -0.626 1.00 0.00 C ATOM 1001 C ASP A 67 14.166 16.967 0.881 1.00 0.00 C ATOM 1002 O ASP A 67 15.067 16.641 1.653 1.00 0.00 O ATOM 1003 CB ASP A 67 15.260 18.226 -0.975 1.00 0.00 C ATOM 1004 CG ASP A 67 15.735 18.136 -2.421 1.00 0.00 C ATOM 1005 OD1 ASP A 67 14.908 18.284 -3.307 1.00 0.00 O ATOM 1006 OD2 ASP A 67 16.919 17.921 -2.623 1.00 0.00 O ATOM 0 H ASP A 67 13.048 17.848 -1.992 1.00 0.00 H new ATOM 0 HA ASP A 67 14.929 16.099 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.682 19.139 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.118 18.282 -0.305 1.00 0.00 H new ATOM 1011 N MET A 68 12.944 17.303 1.293 1.00 0.00 N ATOM 1012 CA MET A 68 12.587 17.304 2.713 1.00 0.00 C ATOM 1013 C MET A 68 11.837 16.028 3.079 1.00 0.00 C ATOM 1014 O MET A 68 11.984 15.506 4.183 1.00 0.00 O ATOM 1015 CB MET A 68 11.708 18.517 3.027 1.00 0.00 C ATOM 1016 CG MET A 68 12.435 19.796 2.606 1.00 0.00 C ATOM 1017 SD MET A 68 11.300 21.201 2.722 1.00 0.00 S ATOM 1018 CE MET A 68 11.669 21.650 4.436 1.00 0.00 C ATOM 0 H MET A 68 12.187 17.577 0.667 1.00 0.00 H new ATOM 0 HA MET A 68 13.505 17.354 3.299 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.757 18.436 2.501 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.481 18.549 4.093 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.302 19.961 3.245 1.00 0.00 H new ATOM 0 HG3 MET A 68 12.806 19.697 1.586 1.00 0.00 H new ATOM 0 HE1 MET A 68 11.067 22.512 4.724 1.00 0.00 H new ATOM 0 HE2 MET A 68 11.436 20.810 5.090 1.00 0.00 H new ATOM 0 HE3 MET A 68 12.726 21.899 4.527 1.00 0.00 H new ATOM 1028 N LEU A 69 11.032 15.531 2.145 1.00 0.00 N ATOM 1029 CA LEU A 69 10.263 14.315 2.381 1.00 0.00 C ATOM 1030 C LEU A 69 11.177 13.203 2.893 1.00 0.00 C ATOM 1031 O LEU A 69 12.178 12.869 2.260 1.00 0.00 O ATOM 1032 CB LEU A 69 9.574 13.874 1.082 1.00 0.00 C ATOM 1033 CG LEU A 69 8.413 12.910 1.389 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.277 13.641 2.140 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.874 12.340 0.067 1.00 0.00 C ATOM 0 H LEU A 69 10.896 15.948 1.224 1.00 0.00 H new ATOM 0 HA LEU A 69 9.504 14.518 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.198 14.747 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.296 13.386 0.427 1.00 0.00 H new ATOM 0 HG LEU A 69 8.780 12.104 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.468 12.941 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.660 14.040 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.901 14.459 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.051 11.656 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.518 13.155 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.670 11.804 -0.450 1.00 0.00 H new ATOM 1047 N ASP A 70 10.828 12.643 4.047 1.00 0.00 N ATOM 1048 CA ASP A 70 11.628 11.578 4.646 1.00 0.00 C ATOM 1049 C ASP A 70 11.696 10.356 3.736 1.00 0.00 C ATOM 1050 O ASP A 70 12.626 9.559 3.834 1.00 0.00 O ATOM 1051 CB ASP A 70 11.028 11.175 5.994 1.00 0.00 C ATOM 1052 CG ASP A 70 12.029 10.333 6.779 1.00 0.00 C ATOM 1053 OD1 ASP A 70 12.991 10.898 7.270 1.00 0.00 O ATOM 1054 OD2 ASP A 70 11.817 9.135 6.875 1.00 0.00 O ATOM 0 H ASP A 70 10.002 12.906 4.584 1.00 0.00 H new ATOM 0 HA ASP A 70 12.640 11.957 4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.763 12.065 6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.109 10.611 5.838 1.00 0.00 H new ATOM 1059 N THR A 71 10.717 10.222 2.846 1.00 0.00 N ATOM 1060 CA THR A 71 10.688 9.091 1.919 1.00 0.00 C ATOM 1061 C THR A 71 12.047 8.933 1.225 1.00 0.00 C ATOM 1062 O THR A 71 12.388 9.747 0.366 1.00 0.00 O ATOM 1063 CB THR A 71 9.616 9.328 0.853 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.363 9.555 1.483 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.521 8.102 -0.059 1.00 0.00 C ATOM 0 H THR A 71 9.940 10.875 2.746 1.00 0.00 H new ATOM 0 HA THR A 71 10.463 8.186 2.484 1.00 0.00 H new ATOM 0 HB THR A 71 9.883 10.200 0.256 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.713 8.894 1.166 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.757 8.271 -0.818 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.483 7.933 -0.543 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.255 7.227 0.534 1.00 0.00 H new ATOM 1073 N PRO A 72 12.837 7.927 1.553 1.00 0.00 N ATOM 1074 CA PRO A 72 14.166 7.741 0.898 1.00 0.00 C ATOM 1075 C PRO A 72 14.051 7.727 -0.625 1.00 0.00 C ATOM 1076 O PRO A 72 12.990 8.006 -1.186 1.00 0.00 O ATOM 1077 CB PRO A 72 14.661 6.382 1.425 1.00 0.00 C ATOM 1078 CG PRO A 72 13.931 6.173 2.712 1.00 0.00 C ATOM 1079 CD PRO A 72 12.577 6.870 2.555 1.00 0.00 C ATOM 0 HA PRO A 72 14.851 8.557 1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.446 5.583 0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.740 6.389 1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.800 5.110 2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.490 6.592 3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.808 6.177 2.215 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.232 7.291 3.500 1.00 0.00 H new ATOM 1087 N MET A 73 15.153 7.385 -1.284 1.00 0.00 N ATOM 1088 CA MET A 73 15.188 7.313 -2.742 1.00 0.00 C ATOM 1089 C MET A 73 15.008 5.871 -3.189 1.00 0.00 C ATOM 1090 O MET A 73 14.611 5.599 -4.322 1.00 0.00 O ATOM 1091 CB MET A 73 16.536 7.828 -3.249 1.00 0.00 C ATOM 1092 CG MET A 73 17.648 6.852 -2.854 1.00 0.00 C ATOM 1093 SD MET A 73 19.247 7.698 -2.917 1.00 0.00 S ATOM 1094 CE MET A 73 19.165 8.209 -4.652 1.00 0.00 C ATOM 0 H MET A 73 16.037 7.153 -0.831 1.00 0.00 H new ATOM 0 HA MET A 73 14.383 7.926 -3.148 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.508 7.942 -4.333 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.739 8.814 -2.830 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.468 6.467 -1.850 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.651 5.996 -3.529 1.00 0.00 H new ATOM 0 HE1 MET A 73 20.172 8.397 -5.024 1.00 0.00 H new ATOM 0 HE2 MET A 73 18.702 7.418 -5.243 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.571 9.119 -4.736 1.00 0.00 H new ATOM 1104 N SER A 74 15.311 4.952 -2.279 1.00 0.00 N ATOM 1105 CA SER A 74 15.195 3.526 -2.559 1.00 0.00 C ATOM 1106 C SER A 74 13.798 3.029 -2.216 1.00 0.00 C ATOM 1107 O SER A 74 13.329 2.037 -2.775 1.00 0.00 O ATOM 1108 CB SER A 74 16.224 2.751 -1.737 1.00 0.00 C ATOM 1109 OG SER A 74 15.940 1.360 -1.817 1.00 0.00 O ATOM 0 H SER A 74 15.640 5.170 -1.338 1.00 0.00 H new ATOM 0 HA SER A 74 15.378 3.365 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.229 2.951 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.198 3.080 -0.698 1.00 0.00 H new ATOM 0 HG SER A 74 16.600 0.861 -1.292 1.00 0.00 H new ATOM 1115 N ALA A 75 13.134 3.723 -1.297 1.00 0.00 N ATOM 1116 CA ALA A 75 11.792 3.338 -0.898 1.00 0.00 C ATOM 1117 C ALA A 75 10.862 3.337 -2.104 1.00 0.00 C ATOM 1118 O ALA A 75 9.939 2.529 -2.189 1.00 0.00 O ATOM 1119 CB ALA A 75 11.275 4.300 0.163 1.00 0.00 C ATOM 0 H ALA A 75 13.502 4.547 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 75 11.821 2.331 -0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.268 4.007 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.932 4.270 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.255 5.312 -0.242 1.00 0.00 H new ATOM 1125 N LEU A 76 11.105 4.244 -3.041 1.00 0.00 N ATOM 1126 CA LEU A 76 10.269 4.301 -4.232 1.00 0.00 C ATOM 1127 C LEU A 76 10.498 3.048 -5.059 1.00 0.00 C ATOM 1128 O LEU A 76 9.558 2.344 -5.426 1.00 0.00 O ATOM 1129 CB LEU A 76 10.599 5.514 -5.115 1.00 0.00 C ATOM 1130 CG LEU A 76 10.518 6.863 -4.353 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.458 6.832 -3.246 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.880 7.233 -3.741 1.00 0.00 C ATOM 0 H LEU A 76 11.855 4.934 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 76 9.234 4.383 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.602 5.395 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.910 5.539 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 76 10.232 7.618 -5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.434 7.796 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.481 6.629 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.704 6.049 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.796 8.183 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.188 6.455 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.623 7.324 -4.534 1.00 0.00 H new ATOM 1144 N LYS A 77 11.765 2.788 -5.351 1.00 0.00 N ATOM 1145 CA LYS A 77 12.137 1.629 -6.144 1.00 0.00 C ATOM 1146 C LYS A 77 11.798 0.342 -5.399 1.00 0.00 C ATOM 1147 O LYS A 77 11.841 -0.746 -5.973 1.00 0.00 O ATOM 1148 CB LYS A 77 13.636 1.696 -6.484 1.00 0.00 C ATOM 1149 CG LYS A 77 14.063 3.175 -6.648 1.00 0.00 C ATOM 1150 CD LYS A 77 15.198 3.303 -7.680 1.00 0.00 C ATOM 1151 CE LYS A 77 16.026 4.563 -7.394 1.00 0.00 C ATOM 1152 NZ LYS A 77 16.859 4.888 -8.586 1.00 0.00 N ATOM 0 H LYS A 77 12.551 3.365 -5.050 1.00 0.00 H new ATOM 0 HA LYS A 77 11.569 1.632 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.220 1.223 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.836 1.145 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.208 3.772 -6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.392 3.572 -5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 77 15.837 2.421 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.782 3.351 -8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.367 5.399 -7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.663 4.403 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.421 5.742 -8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.497 4.092 -8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.241 5.057 -9.406 1.00 0.00 H new ATOM 1166 N ASP A 78 11.425 0.477 -4.128 1.00 0.00 N ATOM 1167 CA ASP A 78 11.037 -0.675 -3.326 1.00 0.00 C ATOM 1168 C ASP A 78 9.547 -0.931 -3.522 1.00 0.00 C ATOM 1169 O ASP A 78 9.128 -2.045 -3.840 1.00 0.00 O ATOM 1170 CB ASP A 78 11.332 -0.409 -1.846 1.00 0.00 C ATOM 1171 CG ASP A 78 12.837 -0.421 -1.602 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.573 -0.574 -2.564 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.234 -0.276 -0.458 1.00 0.00 O ATOM 0 H ASP A 78 11.384 1.369 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 78 11.606 -1.550 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.916 0.554 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.850 -1.167 -1.229 1.00 0.00 H new ATOM 1178 N ALA A 79 8.756 0.121 -3.326 1.00 0.00 N ATOM 1179 CA ALA A 79 7.309 0.036 -3.474 1.00 0.00 C ATOM 1180 C ALA A 79 6.903 -0.141 -4.936 1.00 0.00 C ATOM 1181 O ALA A 79 6.214 -1.103 -5.278 1.00 0.00 O ATOM 1182 CB ALA A 79 6.664 1.307 -2.924 1.00 0.00 C ATOM 0 H ALA A 79 9.097 1.046 -3.063 1.00 0.00 H new ATOM 0 HA ALA A 79 6.966 -0.835 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.582 1.243 -3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.915 1.415 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.035 2.171 -3.475 1.00 0.00 H new ATOM 1188 N VAL A 80 7.312 0.809 -5.789 1.00 0.00 N ATOM 1189 CA VAL A 80 6.971 0.772 -7.219 1.00 0.00 C ATOM 1190 C VAL A 80 6.930 -0.667 -7.734 1.00 0.00 C ATOM 1191 O VAL A 80 6.214 -0.986 -8.681 1.00 0.00 O ATOM 1192 CB VAL A 80 7.985 1.601 -8.019 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.228 0.768 -8.349 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.352 2.086 -9.328 1.00 0.00 C ATOM 0 H VAL A 80 7.879 1.611 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 80 5.978 1.203 -7.350 1.00 0.00 H new ATOM 0 HB VAL A 80 8.277 2.455 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.933 1.376 -8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.699 0.434 -7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.938 -0.099 -8.942 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.080 2.673 -9.888 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.044 1.227 -9.923 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.482 2.704 -9.105 1.00 0.00 H new ATOM 1204 N ARG A 81 7.717 -1.515 -7.088 1.00 0.00 N ATOM 1205 CA ARG A 81 7.799 -2.922 -7.456 1.00 0.00 C ATOM 1206 C ARG A 81 6.546 -3.673 -7.011 1.00 0.00 C ATOM 1207 O ARG A 81 5.818 -4.237 -7.829 1.00 0.00 O ATOM 1208 CB ARG A 81 9.026 -3.553 -6.797 1.00 0.00 C ATOM 1209 CG ARG A 81 9.270 -4.942 -7.393 1.00 0.00 C ATOM 1210 CD ARG A 81 10.385 -5.656 -6.621 1.00 0.00 C ATOM 1211 NE ARG A 81 11.694 -5.149 -7.030 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.265 -4.112 -6.418 1.00 0.00 C ATOM 1213 NH1 ARG A 81 11.651 -3.512 -5.435 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.442 -3.697 -6.801 1.00 0.00 N ATOM 0 H ARG A 81 8.311 -1.252 -6.302 1.00 0.00 H new ATOM 0 HA ARG A 81 7.882 -2.990 -8.541 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.900 -2.921 -6.952 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.874 -3.629 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.353 -5.531 -7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.544 -4.853 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.248 -5.506 -5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.331 -6.730 -6.802 1.00 0.00 H new ATOM 0 HE ARG A 81 12.182 -5.600 -7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.732 -3.837 -5.134 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.090 -2.718 -4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.924 -4.166 -7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.880 -2.903 -6.333 1.00 0.00 H new ATOM 1228 N ILE A 82 6.327 -3.697 -5.702 1.00 0.00 N ATOM 1229 CA ILE A 82 5.192 -4.402 -5.117 1.00 0.00 C ATOM 1230 C ILE A 82 3.873 -4.136 -5.863 1.00 0.00 C ATOM 1231 O ILE A 82 3.088 -5.065 -6.050 1.00 0.00 O ATOM 1232 CB ILE A 82 5.069 -4.035 -3.627 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.170 -4.752 -2.835 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.701 -4.462 -3.082 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.239 -4.180 -1.419 1.00 0.00 C ATOM 0 H ILE A 82 6.926 -3.232 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 82 5.382 -5.471 -5.215 1.00 0.00 H new ATOM 0 HB ILE A 82 5.173 -2.955 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.966 -5.822 -2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.131 -4.629 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.630 -4.195 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.913 -3.954 -3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.586 -5.540 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.022 -4.691 -0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.464 -3.115 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.281 -4.326 -0.920 1.00 0.00 H new ATOM 1247 N LEU A 83 3.614 -2.899 -6.305 1.00 0.00 N ATOM 1248 CA LEU A 83 2.358 -2.643 -7.034 1.00 0.00 C ATOM 1249 C LEU A 83 2.521 -3.063 -8.490 1.00 0.00 C ATOM 1250 O LEU A 83 1.551 -3.439 -9.147 1.00 0.00 O ATOM 1251 CB LEU A 83 1.861 -1.159 -6.968 1.00 0.00 C ATOM 1252 CG LEU A 83 2.610 -0.318 -5.921 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.781 -1.069 -4.585 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.949 0.110 -6.488 1.00 0.00 C ATOM 0 H LEU A 83 4.224 -2.091 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 83 1.593 -3.237 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.981 -0.698 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.795 -1.149 -6.739 1.00 0.00 H new ATOM 0 HG LEU A 83 2.013 0.567 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.315 -0.435 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.800 -1.319 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.348 -1.985 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.483 0.707 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.538 -0.773 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.790 0.705 -7.388 1.00 0.00 H new ATOM 1266 N TRP A 84 3.748 -3.000 -8.995 1.00 0.00 N ATOM 1267 CA TRP A 84 4.000 -3.388 -10.382 1.00 0.00 C ATOM 1268 C TRP A 84 3.717 -4.881 -10.562 1.00 0.00 C ATOM 1269 O TRP A 84 3.921 -5.434 -11.642 1.00 0.00 O ATOM 1270 CB TRP A 84 5.468 -3.077 -10.752 1.00 0.00 C ATOM 1271 CG TRP A 84 5.584 -1.785 -11.514 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.490 -1.558 -12.491 1.00 0.00 C ATOM 1273 CD2 TRP A 84 4.802 -0.556 -11.387 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.320 -0.273 -12.973 1.00 0.00 N ATOM 1275 CE2 TRP A 84 5.293 0.384 -12.326 1.00 0.00 C ATOM 1276 CE3 TRP A 84 3.729 -0.161 -10.562 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 4.741 1.661 -12.444 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 3.172 1.121 -10.680 1.00 0.00 C ATOM 1279 CH2 TRP A 84 3.676 2.029 -11.617 1.00 0.00 C ATOM 0 H TRP A 84 4.571 -2.690 -8.478 1.00 0.00 H new ATOM 0 HA TRP A 84 3.341 -2.822 -11.040 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.069 -3.020 -9.844 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.873 -3.892 -11.352 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.228 -2.266 -12.839 1.00 0.00 H new ATOM 0 HE1 TRP A 84 6.885 0.139 -13.716 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.332 -0.852 -9.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 5.134 2.359 -13.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 2.349 1.409 -10.043 1.00 0.00 H new ATOM 0 HH2 TRP A 84 3.242 3.014 -11.701 1.00 0.00 H new ATOM 1290 N GLY A 85 3.255 -5.524 -9.497 1.00 0.00 N ATOM 1291 CA GLY A 85 2.961 -6.949 -9.554 1.00 0.00 C ATOM 1292 C GLY A 85 4.240 -7.748 -9.764 1.00 0.00 C ATOM 1293 O GLY A 85 4.206 -8.885 -10.235 1.00 0.00 O ATOM 0 H GLY A 85 3.077 -5.087 -8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.476 -7.264 -8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.262 -7.150 -10.366 1.00 0.00 H new ATOM 1297 N GLU A 86 5.373 -7.143 -9.408 1.00 0.00 N ATOM 1298 CA GLU A 86 6.677 -7.793 -9.551 1.00 0.00 C ATOM 1299 C GLU A 86 7.214 -8.198 -8.185 1.00 0.00 C ATOM 1300 O GLU A 86 8.321 -8.722 -8.071 1.00 0.00 O ATOM 1301 CB GLU A 86 7.667 -6.833 -10.214 1.00 0.00 C ATOM 1302 CG GLU A 86 7.220 -6.543 -11.648 1.00 0.00 C ATOM 1303 CD GLU A 86 7.510 -7.747 -12.538 1.00 0.00 C ATOM 1304 OE1 GLU A 86 8.516 -8.398 -12.311 1.00 0.00 O ATOM 1305 OE2 GLU A 86 6.721 -8.001 -13.432 1.00 0.00 O ATOM 0 H GLU A 86 5.415 -6.202 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 86 6.557 -8.682 -10.171 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.725 -5.905 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.666 -7.269 -10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.154 -6.315 -11.666 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.741 -5.665 -12.029 1.00 0.00 H new ATOM 1312 N ALA A 87 6.420 -7.946 -7.149 1.00 0.00 N ATOM 1313 CA ALA A 87 6.818 -8.280 -5.785 1.00 0.00 C ATOM 1314 C ALA A 87 7.534 -9.634 -5.739 1.00 0.00 C ATOM 1315 O ALA A 87 8.736 -9.704 -5.479 1.00 0.00 O ATOM 1316 CB ALA A 87 5.574 -8.301 -4.879 1.00 0.00 C ATOM 0 H ALA A 87 5.500 -7.513 -7.227 1.00 0.00 H new ATOM 0 HA ALA A 87 7.514 -7.522 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.870 -8.550 -3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.100 -7.320 -4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.870 -9.048 -5.245 1.00 0.00 H new ATOM 1322 N GLU A 88 6.784 -10.704 -5.987 1.00 0.00 N ATOM 1323 CA GLU A 88 7.354 -12.048 -5.969 1.00 0.00 C ATOM 1324 C GLU A 88 8.615 -12.111 -6.825 1.00 0.00 C ATOM 1325 O GLU A 88 9.557 -12.836 -6.506 1.00 0.00 O ATOM 1326 CB GLU A 88 6.330 -13.055 -6.494 1.00 0.00 C ATOM 1327 CG GLU A 88 6.016 -12.747 -7.958 1.00 0.00 C ATOM 1328 CD GLU A 88 4.816 -13.567 -8.418 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.892 -14.782 -8.347 1.00 0.00 O ATOM 1330 OE2 GLU A 88 3.838 -12.967 -8.834 1.00 0.00 O ATOM 0 H GLU A 88 5.787 -10.668 -6.201 1.00 0.00 H new ATOM 0 HA GLU A 88 7.616 -12.296 -4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.720 -14.069 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.419 -13.007 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.808 -11.684 -8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.882 -12.974 -8.580 1.00 0.00 H new ATOM 1337 N VAL A 89 8.623 -11.352 -7.915 1.00 0.00 N ATOM 1338 CA VAL A 89 9.773 -11.334 -8.811 1.00 0.00 C ATOM 1339 C VAL A 89 10.894 -10.477 -8.236 1.00 0.00 C ATOM 1340 O VAL A 89 11.021 -9.299 -8.572 1.00 0.00 O ATOM 1341 CB VAL A 89 9.363 -10.783 -10.176 1.00 0.00 C ATOM 1342 CG1 VAL A 89 10.495 -11.016 -11.178 1.00 0.00 C ATOM 1343 CG2 VAL A 89 8.099 -11.499 -10.653 1.00 0.00 C ATOM 0 H VAL A 89 7.853 -10.746 -8.198 1.00 0.00 H new ATOM 0 HA VAL A 89 10.134 -12.357 -8.922 1.00 0.00 H new ATOM 0 HB VAL A 89 9.165 -9.714 -10.096 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.205 -10.624 -12.153 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.395 -10.506 -10.835 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.693 -12.085 -11.261 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.805 -11.107 -11.627 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.296 -12.568 -10.736 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.294 -11.333 -9.937 1.00 0.00 H new ATOM 1353 N ASP A 90 11.708 -11.074 -7.368 1.00 0.00 N ATOM 1354 CA ASP A 90 12.822 -10.359 -6.750 1.00 0.00 C ATOM 1355 C ASP A 90 14.114 -10.609 -7.523 1.00 0.00 C ATOM 1356 O ASP A 90 14.288 -11.664 -8.133 1.00 0.00 O ATOM 1357 CB ASP A 90 12.996 -10.820 -5.302 1.00 0.00 C ATOM 1358 CG ASP A 90 13.258 -12.322 -5.260 1.00 0.00 C ATOM 1359 OD1 ASP A 90 12.908 -12.992 -6.218 1.00 0.00 O ATOM 1360 OD2 ASP A 90 13.804 -12.780 -4.270 1.00 0.00 O ATOM 0 H ASP A 90 11.618 -12.048 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 90 12.601 -9.292 -6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.825 -10.285 -4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.102 -10.582 -4.726 1.00 0.00 H new ATOM 1365 N SER A 91 15.017 -9.634 -7.493 1.00 0.00 N ATOM 1366 CA SER A 91 16.288 -9.763 -8.196 1.00 0.00 C ATOM 1367 C SER A 91 17.158 -10.829 -7.538 1.00 0.00 C ATOM 1368 O SER A 91 16.836 -11.328 -6.460 1.00 0.00 O ATOM 1369 CB SER A 91 17.027 -8.425 -8.189 1.00 0.00 C ATOM 1370 OG SER A 91 18.287 -8.581 -8.830 1.00 0.00 O ATOM 0 H SER A 91 14.894 -8.753 -6.994 1.00 0.00 H new ATOM 0 HA SER A 91 16.084 -10.060 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.436 -7.667 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.167 -8.079 -7.165 1.00 0.00 H new ATOM 0 HG SER A 91 18.763 -7.724 -8.829 1.00 0.00 H new ATOM 1376 N LEU A 92 18.262 -11.171 -8.193 1.00 0.00 N ATOM 1377 CA LEU A 92 19.171 -12.179 -7.660 1.00 0.00 C ATOM 1378 C LEU A 92 20.001 -11.579 -6.518 1.00 0.00 C ATOM 1379 O LEU A 92 20.278 -10.379 -6.522 1.00 0.00 O ATOM 1380 CB LEU A 92 20.108 -12.679 -8.768 1.00 0.00 C ATOM 1381 CG LEU A 92 19.348 -13.571 -9.768 1.00 0.00 C ATOM 1382 CD1 LEU A 92 18.879 -14.874 -9.092 1.00 0.00 C ATOM 1383 CD2 LEU A 92 18.137 -12.811 -10.329 1.00 0.00 C ATOM 0 H LEU A 92 18.548 -10.769 -9.086 1.00 0.00 H new ATOM 0 HA LEU A 92 18.586 -13.017 -7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 92 20.545 -11.829 -9.292 1.00 0.00 H new ATOM 0 HB3 LEU A 92 20.932 -13.240 -8.327 1.00 0.00 H new ATOM 0 HG LEU A 92 20.024 -13.829 -10.583 1.00 0.00 H new ATOM 0 HD11 LEU A 92 18.345 -15.488 -9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 92 19.744 -15.422 -8.719 1.00 0.00 H new ATOM 0 HD13 LEU A 92 18.216 -14.634 -8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.604 -13.447 -11.036 1.00 0.00 H new ATOM 0 HD22 LEU A 92 17.469 -12.537 -9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 92 18.477 -11.909 -10.838 1.00 0.00 H new ATOM 1395 N PRO A 93 20.401 -12.370 -5.548 1.00 0.00 N ATOM 1396 CA PRO A 93 21.214 -11.868 -4.397 1.00 0.00 C ATOM 1397 C PRO A 93 22.658 -11.569 -4.802 1.00 0.00 C ATOM 1398 O PRO A 93 23.238 -10.570 -4.377 1.00 0.00 O ATOM 1399 CB PRO A 93 21.143 -13.018 -3.385 1.00 0.00 C ATOM 1400 CG PRO A 93 20.974 -14.245 -4.220 1.00 0.00 C ATOM 1401 CD PRO A 93 20.135 -13.818 -5.429 1.00 0.00 C ATOM 0 HA PRO A 93 20.838 -10.925 -4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 93 22.049 -13.071 -2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 93 20.308 -12.889 -2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 93 21.940 -14.639 -4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 93 20.475 -15.034 -3.658 1.00 0.00 H new ATOM 0 HD2 PRO A 93 20.430 -14.355 -6.331 1.00 0.00 H new ATOM 0 HD3 PRO A 93 19.075 -14.019 -5.272 1.00 0.00 H new ATOM 1409 N GLN A 94 23.229 -12.442 -5.625 1.00 0.00 N ATOM 1410 CA GLN A 94 24.604 -12.265 -6.080 1.00 0.00 C ATOM 1411 C GLN A 94 24.688 -11.095 -7.076 1.00 0.00 C ATOM 1412 O GLN A 94 23.916 -11.053 -8.033 1.00 0.00 O ATOM 1413 CB GLN A 94 25.086 -13.548 -6.764 1.00 0.00 C ATOM 1414 CG GLN A 94 26.601 -13.487 -6.970 1.00 0.00 C ATOM 1415 CD GLN A 94 27.319 -13.593 -5.628 1.00 0.00 C ATOM 1416 OE1 GLN A 94 28.361 -12.968 -5.430 1.00 0.00 O ATOM 1417 NE2 GLN A 94 26.826 -14.355 -4.690 1.00 0.00 N ATOM 0 H GLN A 94 22.765 -13.274 -5.989 1.00 0.00 H new ATOM 0 HA GLN A 94 25.235 -12.046 -5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 94 24.827 -14.415 -6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 94 24.584 -13.670 -7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 94 26.919 -14.297 -7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 94 26.871 -12.553 -7.463 1.00 0.00 H new ATOM 0 HE21 GLN A 94 25.963 -14.873 -4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 94 27.304 -14.433 -3.792 1.00 0.00 H new ATOM 1426 N PRO A 95 25.591 -10.150 -6.891 1.00 0.00 N ATOM 1427 CA PRO A 95 25.719 -8.991 -7.826 1.00 0.00 C ATOM 1428 C PRO A 95 26.415 -9.385 -9.128 1.00 0.00 C ATOM 1429 O PRO A 95 27.612 -9.153 -9.298 1.00 0.00 O ATOM 1430 CB PRO A 95 26.556 -7.983 -7.028 1.00 0.00 C ATOM 1431 CG PRO A 95 27.415 -8.825 -6.141 1.00 0.00 C ATOM 1432 CD PRO A 95 26.579 -10.065 -5.794 1.00 0.00 C ATOM 0 HA PRO A 95 24.752 -8.594 -8.136 1.00 0.00 H new ATOM 0 HB2 PRO A 95 27.159 -7.359 -7.687 1.00 0.00 H new ATOM 0 HB3 PRO A 95 25.922 -7.314 -6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 95 28.339 -9.106 -6.646 1.00 0.00 H new ATOM 0 HG3 PRO A 95 27.697 -8.280 -5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 95 27.197 -10.961 -5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 95 26.091 -9.959 -4.825 1.00 0.00 H new ATOM 1440 N VAL A 96 25.657 -9.987 -10.040 1.00 0.00 N ATOM 1441 CA VAL A 96 26.213 -10.409 -11.320 1.00 0.00 C ATOM 1442 C VAL A 96 26.495 -9.203 -12.208 1.00 0.00 C ATOM 1443 O VAL A 96 25.543 -8.599 -12.674 1.00 0.00 O ATOM 1444 CB VAL A 96 25.237 -11.350 -12.028 1.00 0.00 C ATOM 1445 CG1 VAL A 96 25.939 -12.019 -13.211 1.00 0.00 C ATOM 1446 CG2 VAL A 96 24.761 -12.423 -11.047 1.00 0.00 C ATOM 1447 OXT VAL A 96 27.660 -8.899 -12.410 1.00 0.00 O ATOM 0 H VAL A 96 24.665 -10.192 -9.918 1.00 0.00 H new ATOM 0 HA VAL A 96 27.151 -10.932 -11.132 1.00 0.00 H new ATOM 0 HB VAL A 96 24.381 -10.780 -12.388 1.00 0.00 H new ATOM 0 HG11 VAL A 96 25.243 -12.690 -13.715 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.279 -11.256 -13.911 1.00 0.00 H new ATOM 0 HG13 VAL A 96 26.795 -12.589 -12.851 1.00 0.00 H new ATOM 0 HG21 VAL A 96 24.065 -13.094 -11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 96 25.618 -12.992 -10.687 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.260 -11.948 -10.203 1.00 0.00 H new TER 1457 VAL A 96