USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 731 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 76 SER OG : rot 180:sc= -0.472 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 141:sc= -0.149 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0805 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0336 USER MOD Single : A 6 SER OG : rot 170:sc= 0.357 USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 0.0559 (180deg=-0.00043) USER MOD Single : A 14 GLN : amide:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -176:sc= -1.1 USER MOD Single : A 30 SER OG : rot -170:sc= -1.36! USER MOD Single : A 34 THR OG1 : rot 142:sc= 1.36 USER MOD Single : A 39 ASN :FLIP amide:sc= -0.0274 F(o=-0.79,f=-0.027) USER MOD Single : A 40 MET CE :methyl -144:sc= -1.3 (180deg=-1.45) USER MOD Single : A 41 MET CE :methyl 142:sc= -0.866 (180deg=-1.58) USER MOD Single : A 42 HIS : no HD1:sc= -0.729 X(o=-0.73,f=-0.59) USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= 0.532 (180deg=-0.0336) USER MOD Single : A 49 SER OG : rot -26:sc= -0.413 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.5! C(o=-5.8!,f=-3.5!) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.265 F(o=-0.96,f=-0.27) USER MOD Single : A 59 MET CE :methyl 179:sc= -3.88! (180deg=-4.02!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -5! C(o=-5!,f=-15!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc=-0.00307 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.786 USER MOD Single : A 74 CYS SG : rot 71:sc= 0.739 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.154 K(o=-0.15,f=-2!) USER MOD Single : A 84 GLN : amide:sc= -0.145 K(o=-0.14,f=-2.3!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.906 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0422 F(o=-4!,f=-0.042) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.380 15.897 -15.782 1.00 0.00 N ATOM 2 CA GLY A 1 -9.032 15.126 -14.603 1.00 0.00 C ATOM 3 C GLY A 1 -8.743 13.673 -14.925 1.00 0.00 C ATOM 4 O GLY A 1 -8.614 13.302 -16.091 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.830 16.780 -15.794 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.164 15.343 -16.635 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.395 16.121 -15.763 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.158 15.570 -14.127 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.849 15.180 -13.883 1.00 0.00 H new ATOM 8 N SER A 2 -8.639 12.849 -13.887 1.00 0.00 N ATOM 9 CA SER A 2 -8.357 11.429 -14.065 1.00 0.00 C ATOM 10 C SER A 2 -9.522 10.578 -13.566 1.00 0.00 C ATOM 11 O SER A 2 -9.569 10.194 -12.398 1.00 0.00 O ATOM 12 CB SER A 2 -7.076 11.045 -13.323 1.00 0.00 C ATOM 13 OG SER A 2 -5.927 11.469 -14.036 1.00 0.00 O ATOM 0 H SER A 2 -8.746 13.140 -12.915 1.00 0.00 H new ATOM 0 HA SER A 2 -8.221 11.241 -15.130 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.078 11.495 -12.330 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.043 9.965 -13.183 1.00 0.00 H new ATOM 0 HG SER A 2 -5.121 11.213 -13.540 1.00 0.00 H new ATOM 19 N SER A 3 -10.460 10.287 -14.462 1.00 0.00 N ATOM 20 CA SER A 3 -11.627 9.485 -14.114 1.00 0.00 C ATOM 21 C SER A 3 -11.260 8.007 -14.015 1.00 0.00 C ATOM 22 O SER A 3 -10.215 7.581 -14.504 1.00 0.00 O ATOM 23 CB SER A 3 -12.733 9.679 -15.152 1.00 0.00 C ATOM 24 OG SER A 3 -14.015 9.528 -14.566 1.00 0.00 O ATOM 0 H SER A 3 -10.434 10.595 -15.434 1.00 0.00 H new ATOM 0 HA SER A 3 -11.989 9.818 -13.141 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.648 10.670 -15.598 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.611 8.955 -15.958 1.00 0.00 H new ATOM 0 HG SER A 3 -14.705 9.658 -15.250 1.00 0.00 H new ATOM 30 N GLY A 4 -12.130 7.230 -13.377 1.00 0.00 N ATOM 31 CA GLY A 4 -11.881 5.808 -13.224 1.00 0.00 C ATOM 32 C GLY A 4 -10.877 5.510 -12.128 1.00 0.00 C ATOM 33 O GLY A 4 -9.745 5.114 -12.405 1.00 0.00 O ATOM 0 H GLY A 4 -13.002 7.559 -12.964 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.819 5.300 -13.001 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.515 5.403 -14.167 1.00 0.00 H new ATOM 37 N SER A 5 -11.292 5.701 -10.880 1.00 0.00 N ATOM 38 CA SER A 5 -10.419 5.455 -9.738 1.00 0.00 C ATOM 39 C SER A 5 -10.032 3.981 -9.658 1.00 0.00 C ATOM 40 O SER A 5 -8.870 3.645 -9.433 1.00 0.00 O ATOM 41 CB SER A 5 -11.107 5.885 -8.441 1.00 0.00 C ATOM 42 OG SER A 5 -12.277 5.121 -8.207 1.00 0.00 O ATOM 0 H SER A 5 -12.227 6.025 -10.634 1.00 0.00 H new ATOM 0 HA SER A 5 -9.512 6.044 -9.872 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.419 5.767 -7.604 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.364 6.943 -8.496 1.00 0.00 H new ATOM 0 HG SER A 5 -12.697 5.414 -7.372 1.00 0.00 H new ATOM 48 N SER A 6 -11.016 3.107 -9.842 1.00 0.00 N ATOM 49 CA SER A 6 -10.781 1.669 -9.787 1.00 0.00 C ATOM 50 C SER A 6 -9.851 1.226 -10.913 1.00 0.00 C ATOM 51 O SER A 6 -10.301 0.881 -12.005 1.00 0.00 O ATOM 52 CB SER A 6 -12.107 0.910 -9.877 1.00 0.00 C ATOM 53 OG SER A 6 -13.035 1.390 -8.920 1.00 0.00 O ATOM 0 H SER A 6 -11.983 3.369 -10.030 1.00 0.00 H new ATOM 0 HA SER A 6 -10.303 1.441 -8.834 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.524 1.018 -10.878 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.932 -0.154 -9.717 1.00 0.00 H new ATOM 0 HG SER A 6 -13.919 1.007 -9.101 1.00 0.00 H new ATOM 59 N GLY A 7 -8.551 1.240 -10.638 1.00 0.00 N ATOM 60 CA GLY A 7 -7.577 0.839 -11.636 1.00 0.00 C ATOM 61 C GLY A 7 -6.150 1.082 -11.186 1.00 0.00 C ATOM 62 O GLY A 7 -5.902 1.365 -10.014 1.00 0.00 O ATOM 0 H GLY A 7 -8.155 1.522 -9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.708 -0.219 -11.862 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.761 1.387 -12.560 1.00 0.00 H new ATOM 66 N ASP A 8 -5.210 0.970 -12.118 1.00 0.00 N ATOM 67 CA ASP A 8 -3.800 1.180 -11.810 1.00 0.00 C ATOM 68 C ASP A 8 -3.586 2.530 -11.133 1.00 0.00 C ATOM 69 O ASP A 8 -4.017 3.566 -11.640 1.00 0.00 O ATOM 70 CB ASP A 8 -2.960 1.096 -13.086 1.00 0.00 C ATOM 71 CG ASP A 8 -3.145 2.306 -13.981 1.00 0.00 C ATOM 72 OD1 ASP A 8 -2.490 3.338 -13.726 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.944 2.220 -14.936 1.00 0.00 O ATOM 0 H ASP A 8 -5.399 0.735 -13.093 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.483 0.396 -11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.907 1.003 -12.819 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.230 0.195 -13.637 1.00 0.00 H new ATOM 78 N VAL A 9 -2.919 2.511 -9.984 1.00 0.00 N ATOM 79 CA VAL A 9 -2.648 3.733 -9.237 1.00 0.00 C ATOM 80 C VAL A 9 -1.152 3.915 -9.005 1.00 0.00 C ATOM 81 O VAL A 9 -0.404 2.941 -8.916 1.00 0.00 O ATOM 82 CB VAL A 9 -3.371 3.732 -7.877 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.839 4.846 -6.988 1.00 0.00 C ATOM 84 CG2 VAL A 9 -4.873 3.866 -8.072 1.00 0.00 C ATOM 0 H VAL A 9 -2.556 1.662 -9.550 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.023 4.561 -9.838 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.176 2.781 -7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.362 4.829 -6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.772 4.700 -6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.002 5.808 -7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.368 3.863 -7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.091 4.801 -8.588 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.239 3.029 -8.668 1.00 0.00 H new ATOM 94 N PHE A 10 -0.722 5.169 -8.907 1.00 0.00 N ATOM 95 CA PHE A 10 0.685 5.479 -8.685 1.00 0.00 C ATOM 96 C PHE A 10 0.845 6.526 -7.586 1.00 0.00 C ATOM 97 O PHE A 10 0.505 7.694 -7.774 1.00 0.00 O ATOM 98 CB PHE A 10 1.329 5.980 -9.980 1.00 0.00 C ATOM 99 CG PHE A 10 1.528 4.903 -11.007 1.00 0.00 C ATOM 100 CD1 PHE A 10 0.472 4.473 -11.794 1.00 0.00 C ATOM 101 CD2 PHE A 10 2.772 4.318 -11.184 1.00 0.00 C ATOM 102 CE1 PHE A 10 0.652 3.482 -12.740 1.00 0.00 C ATOM 103 CE2 PHE A 10 2.958 3.327 -12.129 1.00 0.00 C ATOM 104 CZ PHE A 10 1.896 2.907 -12.907 1.00 0.00 C ATOM 0 H PHE A 10 -1.328 5.986 -8.978 1.00 0.00 H new ATOM 0 HA PHE A 10 1.187 4.565 -8.367 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.705 6.766 -10.406 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.294 6.430 -9.746 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.504 4.918 -11.667 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.605 4.640 -10.577 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.180 3.158 -13.348 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.933 2.881 -12.259 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.039 2.131 -13.644 1.00 0.00 H new ATOM 114 N ILE A 11 1.364 6.097 -6.441 1.00 0.00 N ATOM 115 CA ILE A 11 1.569 6.996 -5.312 1.00 0.00 C ATOM 116 C ILE A 11 2.972 7.594 -5.333 1.00 0.00 C ATOM 117 O ILE A 11 3.951 6.914 -5.027 1.00 0.00 O ATOM 118 CB ILE A 11 1.351 6.274 -3.970 1.00 0.00 C ATOM 119 CG1 ILE A 11 -0.104 5.816 -3.842 1.00 0.00 C ATOM 120 CG2 ILE A 11 1.729 7.184 -2.811 1.00 0.00 C ATOM 121 CD1 ILE A 11 -1.102 6.950 -3.913 1.00 0.00 C ATOM 0 H ILE A 11 1.650 5.133 -6.270 1.00 0.00 H new ATOM 0 HA ILE A 11 0.834 7.795 -5.408 1.00 0.00 H new ATOM 0 HB ILE A 11 1.993 5.394 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.322 5.100 -4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.229 5.291 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.569 6.659 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.779 7.465 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.110 8.081 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.112 6.552 -3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.910 7.655 -3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.004 7.461 -4.871 1.00 0.00 H new ATOM 133 N GLU A 12 3.060 8.870 -5.694 1.00 0.00 N ATOM 134 CA GLU A 12 4.344 9.559 -5.754 1.00 0.00 C ATOM 135 C GLU A 12 4.699 10.166 -4.399 1.00 0.00 C ATOM 136 O GLU A 12 4.080 11.135 -3.958 1.00 0.00 O ATOM 137 CB GLU A 12 4.312 10.653 -6.822 1.00 0.00 C ATOM 138 CG GLU A 12 4.400 10.120 -8.243 1.00 0.00 C ATOM 139 CD GLU A 12 5.059 11.100 -9.194 1.00 0.00 C ATOM 140 OE1 GLU A 12 6.196 11.531 -8.908 1.00 0.00 O ATOM 141 OE2 GLU A 12 4.438 11.435 -10.224 1.00 0.00 O ATOM 0 H GLU A 12 2.259 9.447 -5.949 1.00 0.00 H new ATOM 0 HA GLU A 12 5.108 8.827 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.392 11.227 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.139 11.342 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.962 9.186 -8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.398 9.888 -8.603 1.00 0.00 H new ATOM 148 N LYS A 13 5.700 9.588 -3.743 1.00 0.00 N ATOM 149 CA LYS A 13 6.140 10.071 -2.439 1.00 0.00 C ATOM 150 C LYS A 13 7.662 10.146 -2.372 1.00 0.00 C ATOM 151 O LYS A 13 8.348 9.898 -3.363 1.00 0.00 O ATOM 152 CB LYS A 13 5.614 9.156 -1.330 1.00 0.00 C ATOM 153 CG LYS A 13 6.301 7.802 -1.283 1.00 0.00 C ATOM 154 CD LYS A 13 6.281 7.216 0.119 1.00 0.00 C ATOM 155 CE LYS A 13 6.686 5.750 0.116 1.00 0.00 C ATOM 156 NZ LYS A 13 5.515 4.851 -0.087 1.00 0.00 N ATOM 0 H LYS A 13 6.222 8.785 -4.093 1.00 0.00 H new ATOM 0 HA LYS A 13 5.738 11.074 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.743 9.653 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.544 9.006 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.806 7.117 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.332 7.904 -1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.958 7.780 0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.282 7.318 0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.418 5.577 -0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.172 5.506 1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.848 3.886 -0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.929 4.845 0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.949 5.194 -0.890 1.00 0.00 H new ATOM 170 N GLN A 14 8.181 10.489 -1.198 1.00 0.00 N ATOM 171 CA GLN A 14 9.622 10.595 -1.002 1.00 0.00 C ATOM 172 C GLN A 14 10.168 9.363 -0.288 1.00 0.00 C ATOM 173 O GLN A 14 9.443 8.681 0.437 1.00 0.00 O ATOM 174 CB GLN A 14 9.958 11.854 -0.201 1.00 0.00 C ATOM 175 CG GLN A 14 9.629 13.146 -0.932 1.00 0.00 C ATOM 176 CD GLN A 14 10.704 13.545 -1.924 1.00 0.00 C ATOM 177 OE1 GLN A 14 11.599 14.328 -1.606 1.00 0.00 O ATOM 178 NE2 GLN A 14 10.620 13.007 -3.136 1.00 0.00 N ATOM 0 H GLN A 14 7.626 10.698 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 14 10.092 10.661 -1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.412 11.831 0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.020 11.846 0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.681 13.031 -1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.496 13.947 -0.205 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.861 12.362 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.315 13.239 -3.846 1.00 0.00 H new ATOM 187 N LYS A 15 11.450 9.083 -0.496 1.00 0.00 N ATOM 188 CA LYS A 15 12.094 7.934 0.128 1.00 0.00 C ATOM 189 C LYS A 15 12.396 8.211 1.597 1.00 0.00 C ATOM 190 O LYS A 15 12.798 9.316 1.960 1.00 0.00 O ATOM 191 CB LYS A 15 13.387 7.584 -0.612 1.00 0.00 C ATOM 192 CG LYS A 15 13.157 7.014 -2.001 1.00 0.00 C ATOM 193 CD LYS A 15 14.462 6.860 -2.764 1.00 0.00 C ATOM 194 CE LYS A 15 14.360 5.782 -3.832 1.00 0.00 C ATOM 195 NZ LYS A 15 15.550 5.773 -4.727 1.00 0.00 N ATOM 0 H LYS A 15 12.064 9.637 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 15 11.408 7.089 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.003 8.479 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.950 6.862 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.665 6.045 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.485 7.668 -2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.727 7.810 -3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.264 6.610 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.257 4.807 -3.355 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.460 5.943 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.442 5.024 -5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.634 6.695 -5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.406 5.594 -4.164 1.00 0.00 H new ATOM 209 N GLY A 16 12.201 7.200 2.438 1.00 0.00 N ATOM 210 CA GLY A 16 12.459 7.356 3.858 1.00 0.00 C ATOM 211 C GLY A 16 11.184 7.480 4.669 1.00 0.00 C ATOM 212 O GLY A 16 11.156 7.133 5.849 1.00 0.00 O ATOM 0 H GLY A 16 11.869 6.276 2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 16 13.032 6.501 4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.075 8.241 4.017 1.00 0.00 H new ATOM 216 N GLU A 17 10.127 7.977 4.034 1.00 0.00 N ATOM 217 CA GLU A 17 8.845 8.148 4.706 1.00 0.00 C ATOM 218 C GLU A 17 7.890 7.011 4.354 1.00 0.00 C ATOM 219 O GLU A 17 8.092 6.299 3.370 1.00 0.00 O ATOM 220 CB GLU A 17 8.219 9.491 4.324 1.00 0.00 C ATOM 221 CG GLU A 17 8.215 9.757 2.828 1.00 0.00 C ATOM 222 CD GLU A 17 7.067 10.650 2.397 1.00 0.00 C ATOM 223 OE1 GLU A 17 7.224 11.887 2.453 1.00 0.00 O ATOM 224 OE2 GLU A 17 6.012 10.110 2.004 1.00 0.00 O ATOM 0 H GLU A 17 10.134 8.268 3.056 1.00 0.00 H new ATOM 0 HA GLU A 17 9.022 8.131 5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.194 9.522 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.763 10.292 4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.159 10.222 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.153 8.809 2.294 1.00 0.00 H new ATOM 231 N ILE A 18 6.851 6.847 5.166 1.00 0.00 N ATOM 232 CA ILE A 18 5.865 5.797 4.940 1.00 0.00 C ATOM 233 C ILE A 18 4.779 6.261 3.975 1.00 0.00 C ATOM 234 O ILE A 18 4.746 7.425 3.573 1.00 0.00 O ATOM 235 CB ILE A 18 5.207 5.350 6.259 1.00 0.00 C ATOM 236 CG1 ILE A 18 4.622 6.555 6.997 1.00 0.00 C ATOM 237 CG2 ILE A 18 6.218 4.624 7.135 1.00 0.00 C ATOM 238 CD1 ILE A 18 3.441 6.210 7.877 1.00 0.00 C ATOM 0 H ILE A 18 6.670 7.427 5.985 1.00 0.00 H new ATOM 0 HA ILE A 18 6.398 4.952 4.504 1.00 0.00 H new ATOM 0 HB ILE A 18 4.395 4.661 6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.401 7.009 7.610 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.314 7.304 6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.739 4.314 8.064 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.591 3.746 6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.049 5.292 7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.078 7.112 8.369 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.645 5.784 7.267 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.748 5.485 8.630 1.00 0.00 H new ATOM 250 N LEU A 19 3.889 5.345 3.610 1.00 0.00 N ATOM 251 CA LEU A 19 2.799 5.660 2.693 1.00 0.00 C ATOM 252 C LEU A 19 1.707 6.458 3.399 1.00 0.00 C ATOM 253 O LEU A 19 0.663 6.749 2.818 1.00 0.00 O ATOM 254 CB LEU A 19 2.210 4.375 2.109 1.00 0.00 C ATOM 255 CG LEU A 19 1.149 4.556 1.023 1.00 0.00 C ATOM 256 CD1 LEU A 19 1.667 5.460 -0.084 1.00 0.00 C ATOM 257 CD2 LEU A 19 0.727 3.207 0.459 1.00 0.00 C ATOM 0 H LEU A 19 3.901 4.378 3.935 1.00 0.00 H new ATOM 0 HA LEU A 19 3.203 6.268 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.025 3.780 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.773 3.797 2.923 1.00 0.00 H new ATOM 0 HG LEU A 19 0.275 5.029 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.898 5.577 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.918 6.436 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.557 5.016 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.029 3.355 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.593 2.706 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.314 2.592 1.258 1.00 0.00 H new ATOM 269 N GLY A 20 1.958 6.810 4.657 1.00 0.00 N ATOM 270 CA GLY A 20 0.989 7.573 5.421 1.00 0.00 C ATOM 271 C GLY A 20 -0.437 7.135 5.151 1.00 0.00 C ATOM 272 O GLY A 20 -1.326 7.966 4.969 1.00 0.00 O ATOM 0 H GLY A 20 2.815 6.580 5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.204 7.466 6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.093 8.631 5.180 1.00 0.00 H new ATOM 276 N VAL A 21 -0.656 5.824 5.122 1.00 0.00 N ATOM 277 CA VAL A 21 -1.984 5.276 4.871 1.00 0.00 C ATOM 278 C VAL A 21 -2.210 3.997 5.669 1.00 0.00 C ATOM 279 O VAL A 21 -1.324 3.148 5.767 1.00 0.00 O ATOM 280 CB VAL A 21 -2.195 4.978 3.375 1.00 0.00 C ATOM 281 CG1 VAL A 21 -1.614 3.620 3.013 1.00 0.00 C ATOM 282 CG2 VAL A 21 -3.673 5.047 3.021 1.00 0.00 C ATOM 0 H VAL A 21 0.069 5.122 5.269 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.703 6.031 5.188 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.670 5.737 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.773 3.427 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.545 3.613 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.107 2.845 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.803 4.834 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.223 4.312 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.053 6.045 3.240 1.00 0.00 H new ATOM 292 N VAL A 22 -3.405 3.864 6.238 1.00 0.00 N ATOM 293 CA VAL A 22 -3.749 2.688 7.027 1.00 0.00 C ATOM 294 C VAL A 22 -4.714 1.782 6.269 1.00 0.00 C ATOM 295 O VAL A 22 -5.672 2.253 5.656 1.00 0.00 O ATOM 296 CB VAL A 22 -4.383 3.081 8.374 1.00 0.00 C ATOM 297 CG1 VAL A 22 -4.686 1.843 9.204 1.00 0.00 C ATOM 298 CG2 VAL A 22 -3.471 4.032 9.134 1.00 0.00 C ATOM 0 H VAL A 22 -4.150 4.557 6.167 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.820 2.150 7.215 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.324 3.595 8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.134 2.141 10.152 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.380 1.202 8.661 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.762 1.298 9.395 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.934 4.300 10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.514 3.546 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.310 4.933 8.542 1.00 0.00 H new ATOM 308 N ILE A 23 -4.454 0.479 6.317 1.00 0.00 N ATOM 309 CA ILE A 23 -5.300 -0.493 5.637 1.00 0.00 C ATOM 310 C ILE A 23 -5.937 -1.458 6.631 1.00 0.00 C ATOM 311 O ILE A 23 -5.458 -1.617 7.753 1.00 0.00 O ATOM 312 CB ILE A 23 -4.504 -1.300 4.593 1.00 0.00 C ATOM 313 CG1 ILE A 23 -3.353 -2.050 5.267 1.00 0.00 C ATOM 314 CG2 ILE A 23 -3.978 -0.380 3.502 1.00 0.00 C ATOM 315 CD1 ILE A 23 -2.954 -3.318 4.545 1.00 0.00 C ATOM 0 H ILE A 23 -3.665 0.073 6.820 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.082 0.071 5.129 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.170 -2.031 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.488 -1.390 5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.641 -2.298 6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.418 -0.964 2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.815 0.113 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.324 0.372 3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.133 -3.797 5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.806 -3.997 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.635 -3.075 3.531 1.00 0.00 H new ATOM 327 N VAL A 24 -7.021 -2.103 6.209 1.00 0.00 N ATOM 328 CA VAL A 24 -7.723 -3.056 7.061 1.00 0.00 C ATOM 329 C VAL A 24 -8.307 -4.200 6.241 1.00 0.00 C ATOM 330 O VAL A 24 -8.207 -4.211 5.014 1.00 0.00 O ATOM 331 CB VAL A 24 -8.856 -2.374 7.850 1.00 0.00 C ATOM 332 CG1 VAL A 24 -8.285 -1.407 8.877 1.00 0.00 C ATOM 333 CG2 VAL A 24 -9.808 -1.659 6.904 1.00 0.00 C ATOM 0 H VAL A 24 -7.431 -1.983 5.283 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.990 -3.454 7.763 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.418 -3.142 8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.100 -0.935 9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.647 -1.951 9.574 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.698 -0.642 8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.602 -1.183 7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.262 -0.901 6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.243 -2.380 6.212 1.00 0.00 H new ATOM 343 N GLU A 25 -8.917 -5.162 6.927 1.00 0.00 N ATOM 344 CA GLU A 25 -9.517 -6.311 6.260 1.00 0.00 C ATOM 345 C GLU A 25 -10.657 -5.876 5.344 1.00 0.00 C ATOM 346 O GLU A 25 -11.498 -5.061 5.726 1.00 0.00 O ATOM 347 CB GLU A 25 -10.033 -7.316 7.293 1.00 0.00 C ATOM 348 CG GLU A 25 -8.935 -8.141 7.941 1.00 0.00 C ATOM 349 CD GLU A 25 -8.626 -9.410 7.169 1.00 0.00 C ATOM 350 OE1 GLU A 25 -8.822 -9.415 5.936 1.00 0.00 O ATOM 351 OE2 GLU A 25 -8.189 -10.396 7.798 1.00 0.00 O ATOM 0 H GLU A 25 -9.008 -5.168 7.943 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.748 -6.787 5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.578 -6.779 8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.744 -7.987 6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.030 -7.538 8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.233 -8.401 8.957 1.00 0.00 H new ATOM 358 N SER A 26 -10.678 -6.423 4.134 1.00 0.00 N ATOM 359 CA SER A 26 -11.712 -6.089 3.161 1.00 0.00 C ATOM 360 C SER A 26 -13.027 -6.782 3.505 1.00 0.00 C ATOM 361 O SER A 26 -13.662 -7.393 2.647 1.00 0.00 O ATOM 362 CB SER A 26 -11.265 -6.487 1.753 1.00 0.00 C ATOM 363 OG SER A 26 -10.225 -5.642 1.290 1.00 0.00 O ATOM 0 H SER A 26 -9.991 -7.100 3.803 1.00 0.00 H new ATOM 0 HA SER A 26 -11.871 -5.011 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.923 -7.522 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.113 -6.433 1.070 1.00 0.00 H new ATOM 0 HG SER A 26 -10.000 -5.877 0.366 1.00 0.00 H new ATOM 369 N GLY A 27 -13.428 -6.683 4.769 1.00 0.00 N ATOM 370 CA GLY A 27 -14.664 -7.305 5.205 1.00 0.00 C ATOM 371 C GLY A 27 -14.939 -8.614 4.491 1.00 0.00 C ATOM 372 O GLY A 27 -15.615 -8.637 3.463 1.00 0.00 O ATOM 0 H GLY A 27 -12.919 -6.183 5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.618 -7.484 6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.493 -6.619 5.031 1.00 0.00 H new ATOM 376 N TRP A 28 -14.411 -9.704 5.035 1.00 0.00 N ATOM 377 CA TRP A 28 -14.602 -11.023 4.441 1.00 0.00 C ATOM 378 C TRP A 28 -16.015 -11.172 3.889 1.00 0.00 C ATOM 379 O TRP A 28 -16.943 -11.522 4.617 1.00 0.00 O ATOM 380 CB TRP A 28 -14.328 -12.115 5.476 1.00 0.00 C ATOM 381 CG TRP A 28 -12.871 -12.295 5.778 1.00 0.00 C ATOM 382 CD1 TRP A 28 -12.057 -11.421 6.441 1.00 0.00 C ATOM 383 CD2 TRP A 28 -12.055 -13.418 5.427 1.00 0.00 C ATOM 384 NE1 TRP A 28 -10.784 -11.933 6.522 1.00 0.00 N ATOM 385 CE2 TRP A 28 -10.757 -13.158 5.909 1.00 0.00 C ATOM 386 CE3 TRP A 28 -12.295 -14.619 4.754 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -9.706 -14.054 5.737 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -11.250 -15.508 4.584 1.00 0.00 C ATOM 389 CH2 TRP A 28 -9.969 -15.222 5.075 1.00 0.00 C ATOM 0 H TRP A 28 -13.848 -9.701 5.885 1.00 0.00 H new ATOM 0 HA TRP A 28 -13.897 -11.128 3.616 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -14.856 -11.872 6.398 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -14.736 -13.059 5.115 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.368 -10.468 6.842 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.988 -11.475 6.966 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -13.279 -14.849 4.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.718 -13.835 6.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -11.424 -16.439 4.064 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.174 -15.938 4.928 1.00 0.00 H new ATOM 400 N GLY A 29 -16.172 -10.905 2.596 1.00 0.00 N ATOM 401 CA GLY A 29 -17.476 -11.015 1.968 1.00 0.00 C ATOM 402 C GLY A 29 -17.452 -10.611 0.507 1.00 0.00 C ATOM 403 O GLY A 29 -18.169 -11.183 -0.314 1.00 0.00 O ATOM 0 H GLY A 29 -15.419 -10.614 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.831 -12.042 2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.188 -10.387 2.504 1.00 0.00 H new ATOM 407 N SER A 30 -16.628 -9.620 0.183 1.00 0.00 N ATOM 408 CA SER A 30 -16.518 -9.135 -1.188 1.00 0.00 C ATOM 409 C SER A 30 -15.944 -10.214 -2.102 1.00 0.00 C ATOM 410 O SER A 30 -15.693 -11.339 -1.669 1.00 0.00 O ATOM 411 CB SER A 30 -15.638 -7.885 -1.241 1.00 0.00 C ATOM 412 OG SER A 30 -15.747 -7.237 -2.496 1.00 0.00 O ATOM 0 H SER A 30 -16.027 -9.137 0.851 1.00 0.00 H new ATOM 0 HA SER A 30 -17.519 -8.881 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.929 -7.198 -0.447 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.599 -8.160 -1.059 1.00 0.00 H new ATOM 0 HG SER A 30 -15.063 -6.538 -2.564 1.00 0.00 H new ATOM 418 N ILE A 31 -15.738 -9.862 -3.366 1.00 0.00 N ATOM 419 CA ILE A 31 -15.193 -10.798 -4.341 1.00 0.00 C ATOM 420 C ILE A 31 -13.788 -11.245 -3.947 1.00 0.00 C ATOM 421 O ILE A 31 -13.541 -12.431 -3.729 1.00 0.00 O ATOM 422 CB ILE A 31 -15.147 -10.181 -5.751 1.00 0.00 C ATOM 423 CG1 ILE A 31 -16.367 -9.286 -5.979 1.00 0.00 C ATOM 424 CG2 ILE A 31 -15.081 -11.275 -6.806 1.00 0.00 C ATOM 425 CD1 ILE A 31 -16.124 -7.833 -5.632 1.00 0.00 C ATOM 0 H ILE A 31 -15.940 -8.935 -3.739 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.857 -11.662 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 31 -14.249 -9.568 -5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.669 -9.356 -7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.198 -9.660 -5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -15.049 -10.823 -7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -14.184 -11.875 -6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -15.962 -11.912 -6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.031 -7.258 -5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -15.852 -7.751 -4.580 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -15.314 -7.442 -6.248 1.00 0.00 H new ATOM 437 N LEU A 32 -12.873 -10.287 -3.857 1.00 0.00 N ATOM 438 CA LEU A 32 -11.492 -10.580 -3.488 1.00 0.00 C ATOM 439 C LEU A 32 -11.108 -9.859 -2.200 1.00 0.00 C ATOM 440 O LEU A 32 -10.703 -8.696 -2.208 1.00 0.00 O ATOM 441 CB LEU A 32 -10.544 -10.172 -4.617 1.00 0.00 C ATOM 442 CG LEU A 32 -10.536 -11.080 -5.847 1.00 0.00 C ATOM 443 CD1 LEU A 32 -9.983 -12.452 -5.495 1.00 0.00 C ATOM 444 CD2 LEU A 32 -11.936 -11.200 -6.431 1.00 0.00 C ATOM 0 H LEU A 32 -13.062 -9.300 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.406 -11.654 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.805 -9.163 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.531 -10.128 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.887 -10.633 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.985 -13.084 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.963 -12.349 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.604 -12.908 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.911 -11.850 -7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.607 -11.623 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.294 -10.213 -6.723 1.00 0.00 H new ATOM 456 N PRO A 33 -11.235 -10.564 -1.066 1.00 0.00 N ATOM 457 CA PRO A 33 -10.904 -10.012 0.251 1.00 0.00 C ATOM 458 C PRO A 33 -9.404 -9.805 0.432 1.00 0.00 C ATOM 459 O PRO A 33 -8.709 -10.665 0.975 1.00 0.00 O ATOM 460 CB PRO A 33 -11.418 -11.078 1.222 1.00 0.00 C ATOM 461 CG PRO A 33 -11.403 -12.344 0.437 1.00 0.00 C ATOM 462 CD PRO A 33 -11.712 -11.955 -0.982 1.00 0.00 C ATOM 0 HA PRO A 33 -11.347 -9.028 0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.781 -11.151 2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.422 -10.842 1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.432 -12.834 0.505 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.142 -13.048 0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.199 -12.599 -1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.778 -12.028 -1.196 1.00 0.00 H new ATOM 470 N THR A 34 -8.909 -8.659 -0.026 1.00 0.00 N ATOM 471 CA THR A 34 -7.491 -8.340 0.086 1.00 0.00 C ATOM 472 C THR A 34 -7.240 -7.337 1.205 1.00 0.00 C ATOM 473 O THR A 34 -6.761 -7.698 2.280 1.00 0.00 O ATOM 474 CB THR A 34 -6.939 -7.769 -1.234 1.00 0.00 C ATOM 475 OG1 THR A 34 -7.636 -6.566 -1.577 1.00 0.00 O ATOM 476 CG2 THR A 34 -7.078 -8.780 -2.362 1.00 0.00 C ATOM 0 H THR A 34 -9.469 -7.936 -0.478 1.00 0.00 H new ATOM 0 HA THR A 34 -6.974 -9.272 0.315 1.00 0.00 H new ATOM 0 HB THR A 34 -5.881 -7.548 -1.094 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.008 -5.924 -1.969 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.681 -8.354 -3.284 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.522 -9.683 -2.111 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.130 -9.028 -2.501 1.00 0.00 H new ATOM 484 N VAL A 35 -7.566 -6.074 0.947 1.00 0.00 N ATOM 485 CA VAL A 35 -7.377 -5.018 1.934 1.00 0.00 C ATOM 486 C VAL A 35 -7.927 -3.689 1.430 1.00 0.00 C ATOM 487 O VAL A 35 -7.859 -3.390 0.237 1.00 0.00 O ATOM 488 CB VAL A 35 -5.889 -4.844 2.291 1.00 0.00 C ATOM 489 CG1 VAL A 35 -5.510 -5.744 3.457 1.00 0.00 C ATOM 490 CG2 VAL A 35 -5.014 -5.129 1.080 1.00 0.00 C ATOM 0 H VAL A 35 -7.962 -5.758 0.062 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.925 -5.318 2.827 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.725 -3.810 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.455 -5.607 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.114 -5.486 4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.689 -6.785 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.966 -5.001 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.180 -6.153 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.268 -4.438 0.277 1.00 0.00 H new ATOM 500 N ILE A 36 -8.471 -2.894 2.345 1.00 0.00 N ATOM 501 CA ILE A 36 -9.031 -1.596 1.992 1.00 0.00 C ATOM 502 C ILE A 36 -8.517 -0.504 2.925 1.00 0.00 C ATOM 503 O ILE A 36 -8.187 -0.767 4.081 1.00 0.00 O ATOM 504 CB ILE A 36 -10.571 -1.614 2.042 1.00 0.00 C ATOM 505 CG1 ILE A 36 -11.053 -2.274 3.335 1.00 0.00 C ATOM 506 CG2 ILE A 36 -11.131 -2.342 0.829 1.00 0.00 C ATOM 507 CD1 ILE A 36 -12.544 -2.149 3.557 1.00 0.00 C ATOM 0 H ILE A 36 -8.536 -3.126 3.336 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.711 -1.381 0.972 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.933 -0.586 2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.784 -3.330 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.529 -1.826 4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.220 -2.347 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.811 -1.833 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.764 -3.368 0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.815 -2.639 4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.817 -1.095 3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.076 -2.622 2.732 1.00 0.00 H new ATOM 519 N ILE A 37 -8.454 0.721 2.414 1.00 0.00 N ATOM 520 CA ILE A 37 -7.983 1.853 3.202 1.00 0.00 C ATOM 521 C ILE A 37 -8.937 2.157 4.352 1.00 0.00 C ATOM 522 O ILE A 37 -10.127 2.386 4.141 1.00 0.00 O ATOM 523 CB ILE A 37 -7.824 3.116 2.334 1.00 0.00 C ATOM 524 CG1 ILE A 37 -7.123 2.772 1.019 1.00 0.00 C ATOM 525 CG2 ILE A 37 -7.050 4.184 3.091 1.00 0.00 C ATOM 526 CD1 ILE A 37 -8.076 2.399 -0.095 1.00 0.00 C ATOM 0 H ILE A 37 -8.723 0.955 1.458 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.009 1.574 3.605 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.814 3.508 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.523 3.625 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.435 1.944 1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.946 5.070 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.587 4.445 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.062 3.803 3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.509 2.168 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.658 1.527 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.748 3.234 -0.293 1.00 0.00 H new ATOM 538 N ALA A 38 -8.405 2.159 5.570 1.00 0.00 N ATOM 539 CA ALA A 38 -9.207 2.439 6.754 1.00 0.00 C ATOM 540 C ALA A 38 -9.093 3.904 7.161 1.00 0.00 C ATOM 541 O ALA A 38 -10.036 4.484 7.698 1.00 0.00 O ATOM 542 CB ALA A 38 -8.786 1.535 7.903 1.00 0.00 C ATOM 0 H ALA A 38 -7.421 1.970 5.762 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.250 2.237 6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.394 1.755 8.781 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.927 0.493 7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.735 1.708 8.136 1.00 0.00 H new ATOM 548 N ASN A 39 -7.932 4.496 6.902 1.00 0.00 N ATOM 549 CA ASN A 39 -7.695 5.894 7.244 1.00 0.00 C ATOM 550 C ASN A 39 -6.468 6.432 6.512 1.00 0.00 C ATOM 551 O ASN A 39 -5.543 5.684 6.198 1.00 0.00 O ATOM 552 CB ASN A 39 -7.509 6.048 8.754 1.00 0.00 C ATOM 553 CG ASN A 39 -7.917 7.421 9.251 1.00 0.00 C ATOM 554 OD1 ASN A 39 -7.077 8.417 8.994 1.00 0.00 O flip ATOM 555 ND2 ASN A 39 -8.976 7.585 9.858 1.00 0.00 N flip ATOM 0 H ASN A 39 -7.141 4.030 6.457 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.566 6.471 6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.098 5.289 9.269 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.464 5.868 9.009 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.592 6.791 10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.238 8.515 10.185 1.00 0.00 H new ATOM 562 N MET A 40 -6.470 7.734 6.244 1.00 0.00 N ATOM 563 CA MET A 40 -5.357 8.372 5.551 1.00 0.00 C ATOM 564 C MET A 40 -4.642 9.361 6.465 1.00 0.00 C ATOM 565 O MET A 40 -5.281 10.126 7.187 1.00 0.00 O ATOM 566 CB MET A 40 -5.854 9.089 4.294 1.00 0.00 C ATOM 567 CG MET A 40 -6.179 8.148 3.145 1.00 0.00 C ATOM 568 SD MET A 40 -6.704 9.021 1.658 1.00 0.00 S ATOM 569 CE MET A 40 -8.244 8.180 1.297 1.00 0.00 C ATOM 0 H MET A 40 -7.229 8.367 6.496 1.00 0.00 H new ATOM 0 HA MET A 40 -4.649 7.595 5.262 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.745 9.666 4.543 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.095 9.800 3.967 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.301 7.544 2.916 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.966 7.461 3.455 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.367 8.094 0.217 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.228 7.184 1.741 1.00 0.00 H new ATOM 0 HE3 MET A 40 -9.075 8.749 1.713 1.00 0.00 H new ATOM 579 N MET A 41 -3.314 9.340 6.430 1.00 0.00 N ATOM 580 CA MET A 41 -2.514 10.237 7.256 1.00 0.00 C ATOM 581 C MET A 41 -2.746 11.692 6.861 1.00 0.00 C ATOM 582 O MET A 41 -2.700 12.040 5.681 1.00 0.00 O ATOM 583 CB MET A 41 -1.028 9.892 7.129 1.00 0.00 C ATOM 584 CG MET A 41 -0.178 10.441 8.263 1.00 0.00 C ATOM 585 SD MET A 41 -0.288 9.442 9.759 1.00 0.00 S ATOM 586 CE MET A 41 0.755 8.054 9.317 1.00 0.00 C ATOM 0 H MET A 41 -2.769 8.712 5.839 1.00 0.00 H new ATOM 0 HA MET A 41 -2.822 10.107 8.293 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.917 8.808 7.094 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.652 10.282 6.183 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.862 10.492 7.941 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.493 11.460 8.487 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.328 7.737 10.188 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.134 7.228 8.971 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.439 8.351 8.522 1.00 0.00 H new ATOM 596 N HIS A 42 -2.995 12.538 7.856 1.00 0.00 N ATOM 597 CA HIS A 42 -3.234 13.956 7.611 1.00 0.00 C ATOM 598 C HIS A 42 -1.960 14.647 7.133 1.00 0.00 C ATOM 599 O HIS A 42 -1.282 15.324 7.904 1.00 0.00 O ATOM 600 CB HIS A 42 -3.749 14.634 8.881 1.00 0.00 C ATOM 601 CG HIS A 42 -3.640 16.127 8.849 1.00 0.00 C ATOM 602 ND1 HIS A 42 -3.119 16.866 9.890 1.00 0.00 N ATOM 603 CD2 HIS A 42 -3.987 17.020 7.893 1.00 0.00 C ATOM 604 CE1 HIS A 42 -3.151 18.149 9.577 1.00 0.00 C ATOM 605 NE2 HIS A 42 -3.673 18.269 8.369 1.00 0.00 N ATOM 0 H HIS A 42 -3.036 12.267 8.838 1.00 0.00 H new ATOM 0 HA HIS A 42 -3.989 14.043 6.829 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.792 14.357 9.033 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.191 14.255 9.737 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.429 16.792 6.934 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.809 18.961 10.202 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.819 19.147 7.871 1.00 0.00 H new ATOM 614 N GLY A 43 -1.642 14.469 5.854 1.00 0.00 N ATOM 615 CA GLY A 43 -0.450 15.081 5.295 1.00 0.00 C ATOM 616 C GLY A 43 0.488 14.064 4.676 1.00 0.00 C ATOM 617 O GLY A 43 1.642 14.372 4.382 1.00 0.00 O ATOM 0 H GLY A 43 -2.188 13.913 5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.740 15.810 4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.076 15.626 6.078 1.00 0.00 H new ATOM 621 N GLY A 44 -0.009 12.847 4.478 1.00 0.00 N ATOM 622 CA GLY A 44 0.807 11.799 3.892 1.00 0.00 C ATOM 623 C GLY A 44 0.719 11.773 2.379 1.00 0.00 C ATOM 624 O GLY A 44 0.014 12.573 1.763 1.00 0.00 O ATOM 0 H GLY A 44 -0.962 12.568 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.846 11.942 4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.492 10.833 4.288 1.00 0.00 H new ATOM 628 N PRO A 45 1.451 10.837 1.756 1.00 0.00 N ATOM 629 CA PRO A 45 1.471 10.689 0.298 1.00 0.00 C ATOM 630 C PRO A 45 0.149 10.160 -0.249 1.00 0.00 C ATOM 631 O PRO A 45 -0.299 10.571 -1.319 1.00 0.00 O ATOM 632 CB PRO A 45 2.592 9.675 0.060 1.00 0.00 C ATOM 633 CG PRO A 45 2.670 8.892 1.325 1.00 0.00 C ATOM 634 CD PRO A 45 2.314 9.851 2.427 1.00 0.00 C ATOM 0 HA PRO A 45 1.626 11.643 -0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.369 9.031 -0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.537 10.173 -0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.981 8.048 1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.670 8.484 1.471 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.793 9.350 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.201 10.318 2.855 1.00 0.00 H new ATOM 642 N ALA A 46 -0.470 9.248 0.492 1.00 0.00 N ATOM 643 CA ALA A 46 -1.742 8.665 0.082 1.00 0.00 C ATOM 644 C ALA A 46 -2.875 9.678 0.206 1.00 0.00 C ATOM 645 O ALA A 46 -3.803 9.686 -0.603 1.00 0.00 O ATOM 646 CB ALA A 46 -2.046 7.426 0.911 1.00 0.00 C ATOM 0 H ALA A 46 -0.112 8.896 1.380 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.661 8.376 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.998 7.001 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.255 6.690 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.103 7.698 1.965 1.00 0.00 H new ATOM 652 N GLU A 47 -2.793 10.530 1.223 1.00 0.00 N ATOM 653 CA GLU A 47 -3.814 11.546 1.452 1.00 0.00 C ATOM 654 C GLU A 47 -3.722 12.654 0.408 1.00 0.00 C ATOM 655 O GLU A 47 -4.731 13.248 0.025 1.00 0.00 O ATOM 656 CB GLU A 47 -3.669 12.139 2.855 1.00 0.00 C ATOM 657 CG GLU A 47 -4.550 13.353 3.097 1.00 0.00 C ATOM 658 CD GLU A 47 -5.910 12.985 3.658 1.00 0.00 C ATOM 659 OE1 GLU A 47 -6.613 12.172 3.024 1.00 0.00 O ATOM 660 OE2 GLU A 47 -6.270 13.511 4.732 1.00 0.00 O ATOM 0 H GLU A 47 -2.031 10.537 1.901 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.790 11.069 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.911 11.372 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.628 12.418 3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.047 14.030 3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.682 13.894 2.160 1.00 0.00 H new ATOM 667 N LYS A 48 -2.505 12.929 -0.050 1.00 0.00 N ATOM 668 CA LYS A 48 -2.279 13.965 -1.051 1.00 0.00 C ATOM 669 C LYS A 48 -2.403 13.396 -2.460 1.00 0.00 C ATOM 670 O LYS A 48 -2.731 14.115 -3.404 1.00 0.00 O ATOM 671 CB LYS A 48 -0.896 14.592 -0.862 1.00 0.00 C ATOM 672 CG LYS A 48 -0.844 15.626 0.249 1.00 0.00 C ATOM 673 CD LYS A 48 0.582 16.070 0.531 1.00 0.00 C ATOM 674 CE LYS A 48 1.279 15.125 1.498 1.00 0.00 C ATOM 675 NZ LYS A 48 2.541 15.709 2.031 1.00 0.00 N ATOM 0 H LYS A 48 -1.659 12.448 0.257 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.041 14.734 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.175 13.803 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.587 15.060 -1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.447 16.490 -0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.282 15.209 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.142 16.114 -0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.575 17.078 0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.609 14.892 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.499 14.185 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.656 15.436 3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.348 15.354 1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.502 16.746 1.958 1.00 0.00 H new ATOM 689 N SER A 49 -2.140 12.100 -2.596 1.00 0.00 N ATOM 690 CA SER A 49 -2.219 11.435 -3.891 1.00 0.00 C ATOM 691 C SER A 49 -3.633 11.521 -4.460 1.00 0.00 C ATOM 692 O SER A 49 -3.826 11.866 -5.625 1.00 0.00 O ATOM 693 CB SER A 49 -1.797 9.970 -3.763 1.00 0.00 C ATOM 694 OG SER A 49 -2.634 9.275 -2.855 1.00 0.00 O ATOM 0 H SER A 49 -1.870 11.490 -1.825 1.00 0.00 H new ATOM 0 HA SER A 49 -1.539 11.943 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.838 9.490 -4.741 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.763 9.915 -3.424 1.00 0.00 H new ATOM 0 HG SER A 49 -3.009 9.907 -2.206 1.00 0.00 H new ATOM 700 N GLY A 50 -4.619 11.203 -3.627 1.00 0.00 N ATOM 701 CA GLY A 50 -6.003 11.250 -4.063 1.00 0.00 C ATOM 702 C GLY A 50 -6.342 10.138 -5.036 1.00 0.00 C ATOM 703 O GLY A 50 -7.421 10.128 -5.628 1.00 0.00 O ATOM 0 H GLY A 50 -4.484 10.914 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.657 11.180 -3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.200 12.213 -4.534 1.00 0.00 H new ATOM 707 N LYS A 51 -5.417 9.199 -5.204 1.00 0.00 N ATOM 708 CA LYS A 51 -5.622 8.077 -6.112 1.00 0.00 C ATOM 709 C LYS A 51 -6.564 7.046 -5.499 1.00 0.00 C ATOM 710 O LYS A 51 -7.206 6.274 -6.213 1.00 0.00 O ATOM 711 CB LYS A 51 -4.283 7.420 -6.454 1.00 0.00 C ATOM 712 CG LYS A 51 -3.220 8.405 -6.908 1.00 0.00 C ATOM 713 CD LYS A 51 -3.255 8.609 -8.413 1.00 0.00 C ATOM 714 CE LYS A 51 -4.204 9.733 -8.802 1.00 0.00 C ATOM 715 NZ LYS A 51 -4.158 10.017 -10.263 1.00 0.00 N ATOM 0 H LYS A 51 -4.518 9.193 -4.723 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.076 8.460 -7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.918 6.882 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.441 6.681 -7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.371 9.361 -6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.236 8.042 -6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.252 8.837 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.566 7.684 -8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.221 9.465 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.945 10.635 -8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.818 10.788 -10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.193 10.298 -10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.430 9.164 -10.791 1.00 0.00 H new ATOM 729 N LEU A 52 -6.644 7.039 -4.173 1.00 0.00 N ATOM 730 CA LEU A 52 -7.510 6.103 -3.464 1.00 0.00 C ATOM 731 C LEU A 52 -8.546 6.847 -2.627 1.00 0.00 C ATOM 732 O LEU A 52 -8.550 8.076 -2.575 1.00 0.00 O ATOM 733 CB LEU A 52 -6.677 5.186 -2.568 1.00 0.00 C ATOM 734 CG LEU A 52 -5.432 5.812 -1.938 1.00 0.00 C ATOM 735 CD1 LEU A 52 -4.375 6.078 -2.998 1.00 0.00 C ATOM 736 CD2 LEU A 52 -5.793 7.097 -1.207 1.00 0.00 C ATOM 0 H LEU A 52 -6.120 7.671 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.034 5.499 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.317 4.815 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.367 4.322 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.022 5.109 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.496 6.523 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.095 5.139 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.775 6.762 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.895 7.529 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.228 7.806 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.515 6.878 -0.421 1.00 0.00 H new ATOM 748 N ASN A 53 -9.421 6.093 -1.970 1.00 0.00 N ATOM 749 CA ASN A 53 -10.461 6.681 -1.134 1.00 0.00 C ATOM 750 C ASN A 53 -10.874 5.720 -0.023 1.00 0.00 C ATOM 751 O ASN A 53 -10.874 4.503 -0.210 1.00 0.00 O ATOM 752 CB ASN A 53 -11.679 7.051 -1.982 1.00 0.00 C ATOM 753 CG ASN A 53 -11.302 7.424 -3.403 1.00 0.00 C ATOM 754 OD1 ASN A 53 -10.705 6.481 -4.123 1.00 0.00 O flip ATOM 755 ND2 ASN A 53 -11.546 8.546 -3.848 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.431 5.073 -2.000 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.057 7.585 -0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.373 6.211 -2.002 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.202 7.886 -1.517 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.007 9.239 -3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.288 8.782 -4.806 1.00 0.00 H new ATOM 762 N ILE A 54 -11.226 6.275 1.132 1.00 0.00 N ATOM 763 CA ILE A 54 -11.642 5.467 2.271 1.00 0.00 C ATOM 764 C ILE A 54 -12.688 4.435 1.861 1.00 0.00 C ATOM 765 O ILE A 54 -13.843 4.774 1.609 1.00 0.00 O ATOM 766 CB ILE A 54 -12.217 6.342 3.401 1.00 0.00 C ATOM 767 CG1 ILE A 54 -11.188 7.385 3.841 1.00 0.00 C ATOM 768 CG2 ILE A 54 -12.638 5.476 4.579 1.00 0.00 C ATOM 769 CD1 ILE A 54 -9.965 6.787 4.502 1.00 0.00 C ATOM 0 H ILE A 54 -11.231 7.280 1.303 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.752 4.954 2.636 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.097 6.863 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.875 7.964 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.661 8.081 4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.042 6.108 5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.401 4.767 4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.773 4.931 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.279 7.585 4.788 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.266 6.232 5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.467 6.113 3.805 1.00 0.00 H new ATOM 781 N GLY A 55 -12.273 3.174 1.798 1.00 0.00 N ATOM 782 CA GLY A 55 -13.186 2.111 1.419 1.00 0.00 C ATOM 783 C GLY A 55 -12.675 1.298 0.246 1.00 0.00 C ATOM 784 O GLY A 55 -13.008 0.121 0.106 1.00 0.00 O ATOM 0 H GLY A 55 -11.321 2.869 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.345 1.452 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.154 2.542 1.164 1.00 0.00 H new ATOM 788 N ASP A 56 -11.865 1.926 -0.599 1.00 0.00 N ATOM 789 CA ASP A 56 -11.308 1.253 -1.767 1.00 0.00 C ATOM 790 C ASP A 56 -10.383 0.115 -1.348 1.00 0.00 C ATOM 791 O ASP A 56 -9.727 0.187 -0.309 1.00 0.00 O ATOM 792 CB ASP A 56 -10.546 2.251 -2.641 1.00 0.00 C ATOM 793 CG ASP A 56 -11.427 2.881 -3.702 1.00 0.00 C ATOM 794 OD1 ASP A 56 -12.595 3.194 -3.393 1.00 0.00 O ATOM 795 OD2 ASP A 56 -10.948 3.061 -4.841 1.00 0.00 O ATOM 0 H ASP A 56 -11.579 2.900 -0.497 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.133 0.833 -2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.125 3.034 -2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.709 1.744 -3.122 1.00 0.00 H new ATOM 800 N GLN A 57 -10.337 -0.934 -2.162 1.00 0.00 N ATOM 801 CA GLN A 57 -9.494 -2.088 -1.875 1.00 0.00 C ATOM 802 C GLN A 57 -8.355 -2.196 -2.884 1.00 0.00 C ATOM 803 O GLN A 57 -8.489 -1.770 -4.032 1.00 0.00 O ATOM 804 CB GLN A 57 -10.326 -3.371 -1.888 1.00 0.00 C ATOM 805 CG GLN A 57 -10.378 -4.049 -3.248 1.00 0.00 C ATOM 806 CD GLN A 57 -11.539 -5.015 -3.375 1.00 0.00 C ATOM 807 OE1 GLN A 57 -11.323 -6.258 -2.960 1.00 0.00 O flip ATOM 808 NE2 GLN A 57 -12.618 -4.649 -3.842 1.00 0.00 N flip ATOM 0 H GLN A 57 -10.874 -1.009 -3.026 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.064 -1.953 -0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.914 -4.069 -1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.342 -3.139 -1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.456 -3.289 -4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.444 -4.585 -3.418 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.740 -3.684 -4.149 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.390 -5.311 -3.922 1.00 0.00 H new ATOM 817 N ILE A 58 -7.237 -2.767 -2.449 1.00 0.00 N ATOM 818 CA ILE A 58 -6.077 -2.931 -3.315 1.00 0.00 C ATOM 819 C ILE A 58 -6.011 -4.344 -3.885 1.00 0.00 C ATOM 820 O ILE A 58 -5.897 -5.318 -3.142 1.00 0.00 O ATOM 821 CB ILE A 58 -4.766 -2.630 -2.564 1.00 0.00 C ATOM 822 CG1 ILE A 58 -4.899 -1.336 -1.760 1.00 0.00 C ATOM 823 CG2 ILE A 58 -3.605 -2.536 -3.541 1.00 0.00 C ATOM 824 CD1 ILE A 58 -3.702 -1.044 -0.882 1.00 0.00 C ATOM 0 H ILE A 58 -7.110 -3.124 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.190 -2.218 -4.132 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.566 -3.447 -1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.046 -0.504 -2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.791 -1.395 -1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.686 -2.323 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.500 -3.481 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.795 -1.736 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.866 -0.112 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.566 -1.858 -0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.810 -0.952 -1.502 1.00 0.00 H new ATOM 836 N MET A 59 -6.082 -4.446 -5.208 1.00 0.00 N ATOM 837 CA MET A 59 -6.027 -5.741 -5.877 1.00 0.00 C ATOM 838 C MET A 59 -4.627 -6.340 -5.789 1.00 0.00 C ATOM 839 O MET A 59 -4.468 -7.539 -5.559 1.00 0.00 O ATOM 840 CB MET A 59 -6.442 -5.599 -7.343 1.00 0.00 C ATOM 841 CG MET A 59 -7.941 -5.729 -7.565 1.00 0.00 C ATOM 842 SD MET A 59 -8.446 -7.423 -7.917 1.00 0.00 S ATOM 843 CE MET A 59 -8.415 -8.134 -6.274 1.00 0.00 C ATOM 0 H MET A 59 -6.178 -3.649 -5.837 1.00 0.00 H new ATOM 0 HA MET A 59 -6.722 -6.412 -5.373 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.111 -4.629 -7.714 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.928 -6.358 -7.933 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.468 -5.373 -6.679 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.239 -5.086 -8.393 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.722 -9.179 -6.324 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.405 -8.072 -5.870 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.099 -7.585 -5.627 1.00 0.00 H new ATOM 853 N SER A 60 -3.615 -5.498 -5.974 1.00 0.00 N ATOM 854 CA SER A 60 -2.229 -5.946 -5.919 1.00 0.00 C ATOM 855 C SER A 60 -1.294 -4.782 -5.601 1.00 0.00 C ATOM 856 O SER A 60 -1.721 -3.629 -5.540 1.00 0.00 O ATOM 857 CB SER A 60 -1.826 -6.589 -7.248 1.00 0.00 C ATOM 858 OG SER A 60 -2.056 -5.707 -8.332 1.00 0.00 O ATOM 0 H SER A 60 -3.729 -4.502 -6.163 1.00 0.00 H new ATOM 0 HA SER A 60 -2.144 -6.686 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.772 -6.865 -7.217 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.392 -7.509 -7.397 1.00 0.00 H new ATOM 0 HG SER A 60 -1.789 -6.141 -9.169 1.00 0.00 H new ATOM 864 N ILE A 61 -0.019 -5.095 -5.398 1.00 0.00 N ATOM 865 CA ILE A 61 0.976 -4.076 -5.086 1.00 0.00 C ATOM 866 C ILE A 61 2.221 -4.240 -5.953 1.00 0.00 C ATOM 867 O ILE A 61 3.058 -5.104 -5.696 1.00 0.00 O ATOM 868 CB ILE A 61 1.387 -4.125 -3.603 1.00 0.00 C ATOM 869 CG1 ILE A 61 0.218 -3.698 -2.713 1.00 0.00 C ATOM 870 CG2 ILE A 61 2.598 -3.237 -3.359 1.00 0.00 C ATOM 871 CD1 ILE A 61 0.428 -4.009 -1.248 1.00 0.00 C ATOM 0 H ILE A 61 0.349 -6.045 -5.444 1.00 0.00 H new ATOM 0 HA ILE A 61 0.515 -3.111 -5.295 1.00 0.00 H new ATOM 0 HB ILE A 61 1.656 -5.150 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.056 -2.626 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.689 -4.196 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.876 -3.282 -2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.432 -3.583 -3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.355 -2.209 -3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.440 -3.679 -0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.559 -5.083 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.317 -3.489 -0.889 1.00 0.00 H new ATOM 883 N ASN A 62 2.335 -3.403 -6.979 1.00 0.00 N ATOM 884 CA ASN A 62 3.479 -3.455 -7.883 1.00 0.00 C ATOM 885 C ASN A 62 3.571 -4.816 -8.566 1.00 0.00 C ATOM 886 O ASN A 62 4.650 -5.247 -8.970 1.00 0.00 O ATOM 887 CB ASN A 62 4.773 -3.166 -7.119 1.00 0.00 C ATOM 888 CG ASN A 62 5.029 -1.680 -6.956 1.00 0.00 C ATOM 889 OD1 ASN A 62 4.449 -0.858 -7.665 1.00 0.00 O ATOM 890 ND2 ASN A 62 5.901 -1.330 -6.018 1.00 0.00 N ATOM 0 H ASN A 62 1.650 -2.681 -7.205 1.00 0.00 H new ATOM 0 HA ASN A 62 3.340 -2.693 -8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.723 -3.633 -6.135 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.612 -3.621 -7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.114 -0.345 -5.862 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.358 -2.046 -5.454 1.00 0.00 H new ATOM 897 N GLY A 63 2.431 -5.488 -8.692 1.00 0.00 N ATOM 898 CA GLY A 63 2.405 -6.792 -9.327 1.00 0.00 C ATOM 899 C GLY A 63 2.354 -7.926 -8.322 1.00 0.00 C ATOM 900 O GLY A 63 2.567 -9.087 -8.672 1.00 0.00 O ATOM 0 H GLY A 63 1.525 -5.152 -8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.538 -6.855 -9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.290 -6.905 -9.953 1.00 0.00 H new ATOM 904 N THR A 64 2.073 -7.589 -7.066 1.00 0.00 N ATOM 905 CA THR A 64 1.999 -8.587 -6.006 1.00 0.00 C ATOM 906 C THR A 64 0.563 -8.777 -5.531 1.00 0.00 C ATOM 907 O THR A 64 0.050 -7.984 -4.742 1.00 0.00 O ATOM 908 CB THR A 64 2.878 -8.195 -4.804 1.00 0.00 C ATOM 909 OG1 THR A 64 4.238 -8.034 -5.223 1.00 0.00 O ATOM 910 CG2 THR A 64 2.800 -9.250 -3.710 1.00 0.00 C ATOM 0 H THR A 64 1.893 -6.633 -6.759 1.00 0.00 H new ATOM 0 HA THR A 64 2.367 -9.523 -6.426 1.00 0.00 H new ATOM 0 HB THR A 64 2.508 -7.251 -4.404 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.790 -7.783 -4.453 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.429 -8.952 -2.871 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.768 -9.349 -3.373 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.147 -10.206 -4.101 1.00 0.00 H new ATOM 918 N SER A 65 -0.080 -9.835 -6.015 1.00 0.00 N ATOM 919 CA SER A 65 -1.459 -10.128 -5.641 1.00 0.00 C ATOM 920 C SER A 65 -1.580 -10.343 -4.136 1.00 0.00 C ATOM 921 O SER A 65 -0.833 -11.125 -3.546 1.00 0.00 O ATOM 922 CB SER A 65 -1.959 -11.368 -6.386 1.00 0.00 C ATOM 923 OG SER A 65 -2.161 -11.089 -7.761 1.00 0.00 O ATOM 0 H SER A 65 0.332 -10.503 -6.667 1.00 0.00 H new ATOM 0 HA SER A 65 -2.074 -9.272 -5.919 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.237 -12.177 -6.278 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.892 -11.712 -5.940 1.00 0.00 H new ATOM 0 HG SER A 65 -2.479 -11.897 -8.216 1.00 0.00 H new ATOM 929 N LEU A 66 -2.526 -9.643 -3.519 1.00 0.00 N ATOM 930 CA LEU A 66 -2.746 -9.756 -2.081 1.00 0.00 C ATOM 931 C LEU A 66 -3.905 -10.701 -1.781 1.00 0.00 C ATOM 932 O LEU A 66 -4.142 -11.062 -0.628 1.00 0.00 O ATOM 933 CB LEU A 66 -3.028 -8.378 -1.479 1.00 0.00 C ATOM 934 CG LEU A 66 -2.194 -7.221 -2.032 1.00 0.00 C ATOM 935 CD1 LEU A 66 -2.681 -5.895 -1.467 1.00 0.00 C ATOM 936 CD2 LEU A 66 -0.720 -7.428 -1.717 1.00 0.00 C ATOM 0 H LEU A 66 -3.153 -8.992 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.842 -10.165 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.082 -8.146 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.867 -8.434 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.313 -7.197 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.076 -5.083 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.724 -5.743 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.592 -5.908 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.142 -6.595 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.582 -7.479 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.378 -8.359 -2.170 1.00 0.00 H new ATOM 948 N VAL A 67 -4.623 -11.100 -2.826 1.00 0.00 N ATOM 949 CA VAL A 67 -5.755 -12.006 -2.674 1.00 0.00 C ATOM 950 C VAL A 67 -5.393 -13.195 -1.791 1.00 0.00 C ATOM 951 O VAL A 67 -4.488 -13.965 -2.109 1.00 0.00 O ATOM 952 CB VAL A 67 -6.245 -12.526 -4.039 1.00 0.00 C ATOM 953 CG1 VAL A 67 -7.244 -13.658 -3.853 1.00 0.00 C ATOM 954 CG2 VAL A 67 -6.855 -11.393 -4.851 1.00 0.00 C ATOM 0 H VAL A 67 -4.441 -10.810 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.555 -11.436 -2.201 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.389 -12.917 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.579 -14.012 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.769 -14.477 -3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.101 -13.297 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.196 -11.777 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.701 -10.971 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.106 -10.618 -5.015 1.00 0.00 H new ATOM 964 N GLY A 68 -6.107 -13.339 -0.679 1.00 0.00 N ATOM 965 CA GLY A 68 -5.847 -14.436 0.234 1.00 0.00 C ATOM 966 C GLY A 68 -4.908 -14.045 1.358 1.00 0.00 C ATOM 967 O GLY A 68 -5.082 -14.473 2.500 1.00 0.00 O ATOM 0 H GLY A 68 -6.862 -12.715 -0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.790 -14.784 0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.418 -15.271 -0.319 1.00 0.00 H new ATOM 971 N LEU A 69 -3.908 -13.232 1.036 1.00 0.00 N ATOM 972 CA LEU A 69 -2.936 -12.784 2.027 1.00 0.00 C ATOM 973 C LEU A 69 -3.635 -12.174 3.238 1.00 0.00 C ATOM 974 O LEU A 69 -4.645 -11.480 3.119 1.00 0.00 O ATOM 975 CB LEU A 69 -1.981 -11.762 1.408 1.00 0.00 C ATOM 976 CG LEU A 69 -0.981 -12.310 0.389 1.00 0.00 C ATOM 977 CD1 LEU A 69 0.060 -11.257 0.044 1.00 0.00 C ATOM 978 CD2 LEU A 69 -0.312 -13.569 0.922 1.00 0.00 C ATOM 0 H LEU A 69 -3.749 -12.869 0.096 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.365 -13.652 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.575 -10.986 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.424 -11.282 2.212 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.523 -12.568 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.763 -11.665 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.434 -10.383 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.598 -10.968 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.396 -13.945 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.217 -13.337 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.069 -14.328 1.118 1.00 0.00 H new ATOM 990 N PRO A 70 -3.085 -12.437 4.433 1.00 0.00 N ATOM 991 CA PRO A 70 -3.638 -11.922 5.689 1.00 0.00 C ATOM 992 C PRO A 70 -3.456 -10.414 5.827 1.00 0.00 C ATOM 993 O PRO A 70 -2.601 -9.819 5.170 1.00 0.00 O ATOM 994 CB PRO A 70 -2.830 -12.658 6.761 1.00 0.00 C ATOM 995 CG PRO A 70 -1.544 -13.005 6.094 1.00 0.00 C ATOM 996 CD PRO A 70 -1.881 -13.257 4.650 1.00 0.00 C ATOM 0 HA PRO A 70 -4.713 -12.086 5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.665 -12.028 7.635 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.351 -13.551 7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.823 -12.193 6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.094 -13.887 6.549 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.067 -12.959 3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.074 -14.313 4.461 1.00 0.00 H new ATOM 1004 N LEU A 71 -4.264 -9.801 6.686 1.00 0.00 N ATOM 1005 CA LEU A 71 -4.192 -8.362 6.910 1.00 0.00 C ATOM 1006 C LEU A 71 -2.800 -7.954 7.384 1.00 0.00 C ATOM 1007 O LEU A 71 -2.318 -6.868 7.063 1.00 0.00 O ATOM 1008 CB LEU A 71 -5.239 -7.933 7.940 1.00 0.00 C ATOM 1009 CG LEU A 71 -5.294 -6.439 8.259 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.586 -5.635 7.001 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -6.341 -6.160 9.327 1.00 0.00 C ATOM 0 H LEU A 71 -4.976 -10.279 7.238 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.396 -7.861 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.220 -8.244 7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.051 -8.475 8.867 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.321 -6.133 8.644 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.621 -4.574 7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.800 -5.811 6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.546 -5.943 6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.366 -5.092 9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.319 -6.482 8.970 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.088 -6.707 10.236 1.00 0.00 H new ATOM 1023 N SER A 72 -2.159 -8.833 8.147 1.00 0.00 N ATOM 1024 CA SER A 72 -0.823 -8.564 8.667 1.00 0.00 C ATOM 1025 C SER A 72 0.208 -8.566 7.542 1.00 0.00 C ATOM 1026 O SER A 72 1.053 -7.675 7.455 1.00 0.00 O ATOM 1027 CB SER A 72 -0.444 -9.603 9.723 1.00 0.00 C ATOM 1028 OG SER A 72 -0.541 -10.918 9.203 1.00 0.00 O ATOM 0 H SER A 72 -2.543 -9.738 8.419 1.00 0.00 H new ATOM 0 HA SER A 72 -0.832 -7.576 9.127 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.573 -9.420 10.069 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.099 -9.502 10.589 1.00 0.00 H new ATOM 0 HG SER A 72 -0.292 -11.563 9.897 1.00 0.00 H new ATOM 1034 N THR A 73 0.132 -9.576 6.680 1.00 0.00 N ATOM 1035 CA THR A 73 1.057 -9.697 5.561 1.00 0.00 C ATOM 1036 C THR A 73 0.953 -8.496 4.629 1.00 0.00 C ATOM 1037 O THR A 73 1.922 -7.761 4.437 1.00 0.00 O ATOM 1038 CB THR A 73 0.798 -10.984 4.754 1.00 0.00 C ATOM 1039 OG1 THR A 73 1.286 -12.121 5.475 1.00 0.00 O ATOM 1040 CG2 THR A 73 1.472 -10.913 3.392 1.00 0.00 C ATOM 0 H THR A 73 -0.561 -10.322 6.736 1.00 0.00 H new ATOM 0 HA THR A 73 2.061 -9.739 5.984 1.00 0.00 H new ATOM 0 HB THR A 73 -0.277 -11.083 4.605 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.116 -12.935 4.956 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.275 -11.832 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.077 -10.064 2.834 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.547 -10.792 3.524 1.00 0.00 H new ATOM 1048 N CYS A 74 -0.228 -8.303 4.051 1.00 0.00 N ATOM 1049 CA CYS A 74 -0.459 -7.189 3.138 1.00 0.00 C ATOM 1050 C CYS A 74 0.165 -5.906 3.676 1.00 0.00 C ATOM 1051 O CYS A 74 0.849 -5.185 2.949 1.00 0.00 O ATOM 1052 CB CYS A 74 -1.958 -6.988 2.915 1.00 0.00 C ATOM 1053 SG CYS A 74 -2.837 -8.483 2.404 1.00 0.00 S ATOM 0 H CYS A 74 -1.040 -8.903 4.198 1.00 0.00 H new ATOM 0 HA CYS A 74 0.013 -7.428 2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.404 -6.614 3.837 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.101 -6.218 2.157 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.912 -9.307 3.407 1.00 0.00 H new ATOM 1059 N GLN A 75 -0.077 -5.627 4.952 1.00 0.00 N ATOM 1060 CA GLN A 75 0.460 -4.428 5.587 1.00 0.00 C ATOM 1061 C GLN A 75 1.971 -4.344 5.400 1.00 0.00 C ATOM 1062 O GLN A 75 2.520 -3.264 5.182 1.00 0.00 O ATOM 1063 CB GLN A 75 0.117 -4.418 7.077 1.00 0.00 C ATOM 1064 CG GLN A 75 -1.276 -3.888 7.377 1.00 0.00 C ATOM 1065 CD GLN A 75 -1.593 -3.885 8.860 1.00 0.00 C ATOM 1066 OE1 GLN A 75 -0.861 -4.463 9.664 1.00 0.00 O ATOM 1067 NE2 GLN A 75 -2.688 -3.232 9.230 1.00 0.00 N ATOM 0 H GLN A 75 -0.641 -6.214 5.567 1.00 0.00 H new ATOM 0 HA GLN A 75 0.005 -3.560 5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.203 -5.432 7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.850 -3.809 7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.366 -2.874 6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.013 -4.497 6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.266 -2.767 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.952 -3.195 10.215 1.00 0.00 H new ATOM 1076 N SER A 76 2.638 -5.490 5.487 1.00 0.00 N ATOM 1077 CA SER A 76 4.087 -5.545 5.332 1.00 0.00 C ATOM 1078 C SER A 76 4.498 -5.140 3.920 1.00 0.00 C ATOM 1079 O SER A 76 5.452 -4.384 3.732 1.00 0.00 O ATOM 1080 CB SER A 76 4.601 -6.952 5.641 1.00 0.00 C ATOM 1081 OG SER A 76 6.002 -6.948 5.855 1.00 0.00 O ATOM 0 H SER A 76 2.198 -6.393 5.664 1.00 0.00 H new ATOM 0 HA SER A 76 4.530 -4.841 6.037 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.096 -7.341 6.525 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.358 -7.621 4.815 1.00 0.00 H new ATOM 0 HG SER A 76 6.305 -7.859 6.052 1.00 0.00 H new ATOM 1087 N ILE A 77 3.771 -5.648 2.930 1.00 0.00 N ATOM 1088 CA ILE A 77 4.058 -5.338 1.535 1.00 0.00 C ATOM 1089 C ILE A 77 3.801 -3.866 1.235 1.00 0.00 C ATOM 1090 O ILE A 77 4.269 -3.337 0.226 1.00 0.00 O ATOM 1091 CB ILE A 77 3.211 -6.201 0.581 1.00 0.00 C ATOM 1092 CG1 ILE A 77 3.417 -7.687 0.884 1.00 0.00 C ATOM 1093 CG2 ILE A 77 3.567 -5.895 -0.866 1.00 0.00 C ATOM 1094 CD1 ILE A 77 2.292 -8.567 0.385 1.00 0.00 C ATOM 0 H ILE A 77 2.979 -6.276 3.068 1.00 0.00 H new ATOM 0 HA ILE A 77 5.113 -5.560 1.373 1.00 0.00 H new ATOM 0 HB ILE A 77 2.159 -5.961 0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.353 -8.016 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.520 -7.819 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.960 -6.513 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.374 -4.842 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.622 -6.110 -1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.505 -9.606 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.357 -8.265 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.202 -8.465 -0.696 1.00 0.00 H new ATOM 1106 N ILE A 78 3.056 -3.209 2.117 1.00 0.00 N ATOM 1107 CA ILE A 78 2.739 -1.796 1.947 1.00 0.00 C ATOM 1108 C ILE A 78 3.679 -0.919 2.767 1.00 0.00 C ATOM 1109 O ILE A 78 3.938 0.232 2.415 1.00 0.00 O ATOM 1110 CB ILE A 78 1.285 -1.492 2.355 1.00 0.00 C ATOM 1111 CG1 ILE A 78 0.312 -2.299 1.494 1.00 0.00 C ATOM 1112 CG2 ILE A 78 1.001 -0.003 2.231 1.00 0.00 C ATOM 1113 CD1 ILE A 78 -1.023 -2.546 2.161 1.00 0.00 C ATOM 0 H ILE A 78 2.660 -3.632 2.957 1.00 0.00 H new ATOM 0 HA ILE A 78 2.866 -1.570 0.888 1.00 0.00 H new ATOM 0 HB ILE A 78 1.146 -1.783 3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.148 -1.772 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.768 -3.257 1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.030 0.196 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.676 0.552 2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.153 0.312 1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.662 -3.124 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.870 -3.101 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.500 -1.592 2.384 1.00 0.00 H new ATOM 1125 N LYS A 79 4.189 -1.472 3.863 1.00 0.00 N ATOM 1126 CA LYS A 79 5.104 -0.743 4.733 1.00 0.00 C ATOM 1127 C LYS A 79 6.518 -0.744 4.160 1.00 0.00 C ATOM 1128 O LYS A 79 7.315 0.148 4.446 1.00 0.00 O ATOM 1129 CB LYS A 79 5.110 -1.360 6.133 1.00 0.00 C ATOM 1130 CG LYS A 79 6.115 -2.487 6.297 1.00 0.00 C ATOM 1131 CD LYS A 79 6.044 -3.100 7.686 1.00 0.00 C ATOM 1132 CE LYS A 79 7.277 -3.937 7.990 1.00 0.00 C ATOM 1133 NZ LYS A 79 7.168 -5.311 7.425 1.00 0.00 N ATOM 0 H LYS A 79 3.984 -2.423 4.169 1.00 0.00 H new ATOM 0 HA LYS A 79 4.758 0.289 4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.328 -0.581 6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.113 -1.738 6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.925 -3.256 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.121 -2.108 6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.948 -2.309 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.152 -3.722 7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.160 -3.445 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.417 -3.998 9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.092 -5.606 7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.871 -5.971 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.465 -5.316 6.659 1.00 0.00 H new ATOM 1147 N GLY A 80 6.821 -1.752 3.347 1.00 0.00 N ATOM 1148 CA GLY A 80 8.139 -1.849 2.746 1.00 0.00 C ATOM 1149 C GLY A 80 8.293 -0.945 1.539 1.00 0.00 C ATOM 1150 O GLY A 80 9.271 -1.048 0.797 1.00 0.00 O ATOM 0 H GLY A 80 6.178 -2.502 3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.894 -1.590 3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.325 -2.881 2.449 1.00 0.00 H new ATOM 1154 N LEU A 81 7.326 -0.056 1.340 1.00 0.00 N ATOM 1155 CA LEU A 81 7.357 0.870 0.214 1.00 0.00 C ATOM 1156 C LEU A 81 7.928 2.221 0.635 1.00 0.00 C ATOM 1157 O LEU A 81 7.990 3.157 -0.163 1.00 0.00 O ATOM 1158 CB LEU A 81 5.952 1.054 -0.361 1.00 0.00 C ATOM 1159 CG LEU A 81 5.061 -0.189 -0.366 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.656 0.163 -0.830 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.662 -1.271 -1.251 1.00 0.00 C ATOM 0 H LEU A 81 6.510 0.043 1.944 1.00 0.00 H new ATOM 0 HA LEU A 81 8.004 0.446 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.448 1.836 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.045 1.414 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 81 4.999 -0.573 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.036 -0.734 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.225 0.904 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.698 0.572 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.015 -2.148 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.754 -0.897 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.648 -1.544 -0.874 1.00 0.00 H new ATOM 1173 N LYS A 82 8.345 2.315 1.893 1.00 0.00 N ATOM 1174 CA LYS A 82 8.914 3.549 2.420 1.00 0.00 C ATOM 1175 C LYS A 82 10.121 3.987 1.598 1.00 0.00 C ATOM 1176 O LYS A 82 10.298 5.172 1.320 1.00 0.00 O ATOM 1177 CB LYS A 82 9.321 3.363 3.884 1.00 0.00 C ATOM 1178 CG LYS A 82 10.275 4.430 4.390 1.00 0.00 C ATOM 1179 CD LYS A 82 10.882 4.046 5.729 1.00 0.00 C ATOM 1180 CE LYS A 82 9.964 4.417 6.884 1.00 0.00 C ATOM 1181 NZ LYS A 82 10.568 4.078 8.203 1.00 0.00 N ATOM 0 H LYS A 82 8.299 1.551 2.567 1.00 0.00 H new ATOM 0 HA LYS A 82 8.152 4.326 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.425 3.365 4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.788 2.385 4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.070 4.584 3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.744 5.377 4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.076 2.974 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.843 4.546 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.747 5.485 6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.013 3.895 6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.912 4.346 8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.752 3.055 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.463 4.596 8.319 1.00 0.00 H new ATOM 1195 N ASN A 83 10.948 3.022 1.209 1.00 0.00 N ATOM 1196 CA ASN A 83 12.139 3.308 0.417 1.00 0.00 C ATOM 1197 C ASN A 83 11.807 3.340 -1.072 1.00 0.00 C ATOM 1198 O ASN A 83 12.697 3.259 -1.917 1.00 0.00 O ATOM 1199 CB ASN A 83 13.221 2.261 0.688 1.00 0.00 C ATOM 1200 CG ASN A 83 14.612 2.770 0.364 1.00 0.00 C ATOM 1201 OD1 ASN A 83 14.840 3.977 0.282 1.00 0.00 O ATOM 1202 ND2 ASN A 83 15.551 1.849 0.178 1.00 0.00 N ATOM 0 H ASN A 83 10.815 2.035 1.429 1.00 0.00 H new ATOM 0 HA ASN A 83 12.512 4.290 0.709 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.181 1.964 1.736 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.016 1.369 0.096 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.506 2.132 -0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.317 0.859 0.256 1.00 0.00 H new ATOM 1209 N GLN A 84 10.521 3.460 -1.383 1.00 0.00 N ATOM 1210 CA GLN A 84 10.072 3.503 -2.770 1.00 0.00 C ATOM 1211 C GLN A 84 9.221 4.742 -3.028 1.00 0.00 C ATOM 1212 O GLN A 84 8.034 4.770 -2.705 1.00 0.00 O ATOM 1213 CB GLN A 84 9.274 2.242 -3.109 1.00 0.00 C ATOM 1214 CG GLN A 84 9.956 0.955 -2.671 1.00 0.00 C ATOM 1215 CD GLN A 84 9.614 -0.219 -3.567 1.00 0.00 C ATOM 1216 OE1 GLN A 84 8.890 -0.074 -4.552 1.00 0.00 O ATOM 1217 NE2 GLN A 84 10.135 -1.393 -3.229 1.00 0.00 N ATOM 0 H GLN A 84 9.772 3.529 -0.694 1.00 0.00 H new ATOM 0 HA GLN A 84 10.953 3.550 -3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.294 2.304 -2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.106 2.207 -4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.036 1.103 -2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.663 0.723 -1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.730 -1.468 -2.404 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.940 -2.219 -3.794 1.00 0.00 H new ATOM 1226 N SER A 85 9.836 5.764 -3.613 1.00 0.00 N ATOM 1227 CA SER A 85 9.136 7.008 -3.912 1.00 0.00 C ATOM 1228 C SER A 85 7.890 6.743 -4.751 1.00 0.00 C ATOM 1229 O SER A 85 6.774 7.065 -4.344 1.00 0.00 O ATOM 1230 CB SER A 85 10.064 7.976 -4.648 1.00 0.00 C ATOM 1231 OG SER A 85 10.876 8.698 -3.738 1.00 0.00 O ATOM 0 H SER A 85 10.818 5.756 -3.890 1.00 0.00 H new ATOM 0 HA SER A 85 8.828 7.458 -2.968 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.695 7.422 -5.342 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.471 8.672 -5.242 1.00 0.00 H new ATOM 0 HG SER A 85 11.461 9.308 -4.234 1.00 0.00 H new ATOM 1237 N ARG A 86 8.090 6.153 -5.925 1.00 0.00 N ATOM 1238 CA ARG A 86 6.984 5.844 -6.823 1.00 0.00 C ATOM 1239 C ARG A 86 6.597 4.372 -6.723 1.00 0.00 C ATOM 1240 O ARG A 86 7.377 3.488 -7.078 1.00 0.00 O ATOM 1241 CB ARG A 86 7.359 6.187 -8.266 1.00 0.00 C ATOM 1242 CG ARG A 86 6.205 6.048 -9.245 1.00 0.00 C ATOM 1243 CD ARG A 86 6.403 6.930 -10.468 1.00 0.00 C ATOM 1244 NE ARG A 86 5.491 6.574 -11.552 1.00 0.00 N ATOM 1245 CZ ARG A 86 5.121 7.419 -12.508 1.00 0.00 C ATOM 1246 NH1 ARG A 86 5.582 8.663 -12.513 1.00 0.00 N ATOM 1247 NH2 ARG A 86 4.288 7.021 -13.461 1.00 0.00 N ATOM 0 H ARG A 86 9.008 5.879 -6.276 1.00 0.00 H new ATOM 0 HA ARG A 86 6.127 6.448 -6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.733 7.210 -8.302 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.175 5.538 -8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.114 5.007 -9.556 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.272 6.315 -8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.248 7.973 -10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.432 6.842 -10.816 1.00 0.00 H new ATOM 0 HE ARG A 86 5.118 5.625 -11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.222 8.973 -11.782 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.296 9.310 -13.248 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.931 6.065 -13.460 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.005 7.671 -14.195 1.00 0.00 H new ATOM 1261 N VAL A 87 5.387 4.115 -6.236 1.00 0.00 N ATOM 1262 CA VAL A 87 4.896 2.750 -6.090 1.00 0.00 C ATOM 1263 C VAL A 87 3.585 2.553 -6.844 1.00 0.00 C ATOM 1264 O VAL A 87 2.640 3.325 -6.680 1.00 0.00 O ATOM 1265 CB VAL A 87 4.682 2.386 -4.608 1.00 0.00 C ATOM 1266 CG1 VAL A 87 4.517 0.882 -4.446 1.00 0.00 C ATOM 1267 CG2 VAL A 87 5.839 2.897 -3.763 1.00 0.00 C ATOM 0 H VAL A 87 4.729 4.834 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 87 5.657 2.094 -6.512 1.00 0.00 H new ATOM 0 HB VAL A 87 3.767 2.867 -4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.367 0.644 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.654 0.547 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.412 0.377 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.672 2.632 -2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.769 2.445 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.906 3.981 -3.855 1.00 0.00 H new ATOM 1277 N LYS A 88 3.535 1.515 -7.671 1.00 0.00 N ATOM 1278 CA LYS A 88 2.340 1.214 -8.450 1.00 0.00 C ATOM 1279 C LYS A 88 1.444 0.223 -7.713 1.00 0.00 C ATOM 1280 O LYS A 88 1.891 -0.851 -7.308 1.00 0.00 O ATOM 1281 CB LYS A 88 2.727 0.648 -9.818 1.00 0.00 C ATOM 1282 CG LYS A 88 1.537 0.203 -10.651 1.00 0.00 C ATOM 1283 CD LYS A 88 1.979 -0.466 -11.942 1.00 0.00 C ATOM 1284 CE LYS A 88 0.973 -1.510 -12.401 1.00 0.00 C ATOM 1285 NZ LYS A 88 1.010 -1.704 -13.877 1.00 0.00 N ATOM 0 H LYS A 88 4.309 0.867 -7.819 1.00 0.00 H new ATOM 0 HA LYS A 88 1.786 2.142 -8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.284 1.405 -10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.397 -0.200 -9.675 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.925 -0.489 -10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.911 1.065 -10.882 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.103 0.288 -12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.951 -0.936 -11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.181 -2.458 -11.905 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.029 -1.206 -12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.310 -2.423 -14.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.786 -0.806 -14.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.959 -2.019 -14.162 1.00 0.00 H new ATOM 1299 N LEU A 89 0.179 0.590 -7.543 1.00 0.00 N ATOM 1300 CA LEU A 89 -0.780 -0.268 -6.855 1.00 0.00 C ATOM 1301 C LEU A 89 -2.129 -0.258 -7.568 1.00 0.00 C ATOM 1302 O LEU A 89 -2.574 0.778 -8.059 1.00 0.00 O ATOM 1303 CB LEU A 89 -0.954 0.187 -5.405 1.00 0.00 C ATOM 1304 CG LEU A 89 0.262 0.856 -4.762 1.00 0.00 C ATOM 1305 CD1 LEU A 89 -0.173 1.786 -3.640 1.00 0.00 C ATOM 1306 CD2 LEU A 89 1.235 -0.192 -4.242 1.00 0.00 C ATOM 0 H LEU A 89 -0.207 1.475 -7.872 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.391 -1.286 -6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.792 0.883 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.228 -0.680 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 89 0.771 1.449 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.705 2.253 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.830 2.557 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.706 1.215 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.094 0.302 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.737 -0.812 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.572 -0.818 -5.069 1.00 0.00 H new ATOM 1318 N ASN A 90 -2.774 -1.419 -7.618 1.00 0.00 N ATOM 1319 CA ASN A 90 -4.073 -1.543 -8.270 1.00 0.00 C ATOM 1320 C ASN A 90 -5.206 -1.387 -7.259 1.00 0.00 C ATOM 1321 O ASN A 90 -5.311 -2.160 -6.306 1.00 0.00 O ATOM 1322 CB ASN A 90 -4.186 -2.896 -8.975 1.00 0.00 C ATOM 1323 CG ASN A 90 -5.188 -2.873 -10.113 1.00 0.00 C ATOM 1324 OD1 ASN A 90 -6.111 -1.919 -10.070 1.00 0.00 O flip ATOM 1325 ND2 ASN A 90 -5.132 -3.703 -11.021 1.00 0.00 N flip ATOM 0 H ASN A 90 -2.419 -2.286 -7.215 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.158 -0.747 -9.010 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.208 -3.184 -9.361 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.480 -3.656 -8.251 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.405 -4.419 -11.014 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.812 -3.675 -11.781 1.00 0.00 H new ATOM 1332 N ILE A 91 -6.050 -0.385 -7.475 1.00 0.00 N ATOM 1333 CA ILE A 91 -7.175 -0.129 -6.584 1.00 0.00 C ATOM 1334 C ILE A 91 -8.497 -0.506 -7.245 1.00 0.00 C ATOM 1335 O ILE A 91 -8.654 -0.378 -8.460 1.00 0.00 O ATOM 1336 CB ILE A 91 -7.231 1.350 -6.157 1.00 0.00 C ATOM 1337 CG1 ILE A 91 -5.885 1.786 -5.574 1.00 0.00 C ATOM 1338 CG2 ILE A 91 -8.348 1.568 -5.148 1.00 0.00 C ATOM 1339 CD1 ILE A 91 -5.576 1.158 -4.234 1.00 0.00 C ATOM 0 H ILE A 91 -5.977 0.263 -8.259 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.024 -0.748 -5.700 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.439 1.960 -7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.093 1.530 -6.278 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.878 2.871 -5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.375 2.618 -4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.302 1.292 -5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.169 0.951 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.607 1.512 -3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.347 1.435 -3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.550 0.073 -4.338 1.00 0.00 H new ATOM 1351 N VAL A 92 -9.445 -0.970 -6.438 1.00 0.00 N ATOM 1352 CA VAL A 92 -10.755 -1.363 -6.944 1.00 0.00 C ATOM 1353 C VAL A 92 -11.852 -1.047 -5.933 1.00 0.00 C ATOM 1354 O VAL A 92 -11.942 -1.681 -4.882 1.00 0.00 O ATOM 1355 CB VAL A 92 -10.799 -2.865 -7.280 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -12.199 -3.276 -7.709 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -9.782 -3.199 -8.362 1.00 0.00 C ATOM 0 H VAL A 92 -9.331 -1.083 -5.431 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.928 -0.789 -7.855 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.540 -3.427 -6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.210 -4.341 -7.942 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.901 -3.074 -6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.490 -2.708 -8.592 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.827 -4.265 -8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.008 -2.628 -9.263 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.782 -2.944 -8.012 1.00 0.00 H new ATOM 1367 N SER A 93 -12.684 -0.064 -6.259 1.00 0.00 N ATOM 1368 CA SER A 93 -13.774 0.339 -5.378 1.00 0.00 C ATOM 1369 C SER A 93 -14.422 -0.878 -4.725 1.00 0.00 C ATOM 1370 O SER A 93 -14.913 -1.775 -5.408 1.00 0.00 O ATOM 1371 CB SER A 93 -14.823 1.133 -6.159 1.00 0.00 C ATOM 1372 OG SER A 93 -16.092 1.055 -5.533 1.00 0.00 O ATOM 0 H SER A 93 -12.624 0.469 -7.127 1.00 0.00 H new ATOM 0 HA SER A 93 -13.360 0.973 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.514 2.176 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.892 0.748 -7.177 1.00 0.00 H new ATOM 0 HG SER A 93 -16.744 1.572 -6.051 1.00 0.00 H new ATOM 1378 N GLY A 94 -14.420 -0.900 -3.395 1.00 0.00 N ATOM 1379 CA GLY A 94 -15.010 -2.011 -2.671 1.00 0.00 C ATOM 1380 C GLY A 94 -16.424 -2.314 -3.127 1.00 0.00 C ATOM 1381 O GLY A 94 -16.927 -1.733 -4.089 1.00 0.00 O ATOM 0 H GLY A 94 -14.021 -0.169 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.390 -2.898 -2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.016 -1.784 -1.605 1.00 0.00 H new ATOM 1385 N PRO A 95 -17.088 -3.246 -2.427 1.00 0.00 N ATOM 1386 CA PRO A 95 -18.461 -3.647 -2.747 1.00 0.00 C ATOM 1387 C PRO A 95 -19.474 -2.551 -2.435 1.00 0.00 C ATOM 1388 O PRO A 95 -20.091 -2.548 -1.370 1.00 0.00 O ATOM 1389 CB PRO A 95 -18.695 -4.863 -1.846 1.00 0.00 C ATOM 1390 CG PRO A 95 -17.759 -4.672 -0.703 1.00 0.00 C ATOM 1391 CD PRO A 95 -16.550 -3.979 -1.268 1.00 0.00 C ATOM 0 HA PRO A 95 -18.587 -3.855 -3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -19.730 -4.911 -1.507 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -18.489 -5.793 -2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -18.220 -4.074 0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -17.487 -5.629 -0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -16.097 -3.305 -0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.780 -4.692 -1.565 1.00 0.00 H new ATOM 1399 N SER A 96 -19.639 -1.621 -3.371 1.00 0.00 N ATOM 1400 CA SER A 96 -20.575 -0.517 -3.194 1.00 0.00 C ATOM 1401 C SER A 96 -22.014 -0.990 -3.373 1.00 0.00 C ATOM 1402 O SER A 96 -22.306 -1.810 -4.245 1.00 0.00 O ATOM 1403 CB SER A 96 -20.267 0.605 -4.188 1.00 0.00 C ATOM 1404 OG SER A 96 -19.025 1.219 -3.895 1.00 0.00 O ATOM 0 H SER A 96 -19.137 -1.610 -4.259 1.00 0.00 H new ATOM 0 HA SER A 96 -20.460 -0.135 -2.179 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.247 0.203 -5.201 1.00 0.00 H new ATOM 0 HB3 SER A 96 -21.061 1.351 -4.157 1.00 0.00 H new ATOM 0 HG SER A 96 -18.851 1.931 -4.545 1.00 0.00 H new ATOM 1410 N SER A 97 -22.911 -0.468 -2.542 1.00 0.00 N ATOM 1411 CA SER A 97 -24.319 -0.839 -2.605 1.00 0.00 C ATOM 1412 C SER A 97 -25.042 -0.047 -3.691 1.00 0.00 C ATOM 1413 O SER A 97 -24.559 0.990 -4.143 1.00 0.00 O ATOM 1414 CB SER A 97 -24.992 -0.603 -1.252 1.00 0.00 C ATOM 1415 OG SER A 97 -24.464 -1.468 -0.262 1.00 0.00 O ATOM 0 H SER A 97 -22.687 0.214 -1.817 1.00 0.00 H new ATOM 0 HA SER A 97 -24.379 -1.899 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 97 -24.849 0.434 -0.947 1.00 0.00 H new ATOM 0 HB3 SER A 97 -26.066 -0.763 -1.344 1.00 0.00 H new ATOM 0 HG SER A 97 -24.909 -1.296 0.594 1.00 0.00 H new ATOM 1421 N GLY A 98 -26.204 -0.544 -4.104 1.00 0.00 N ATOM 1422 CA GLY A 98 -26.975 0.129 -5.132 1.00 0.00 C ATOM 1423 C GLY A 98 -26.944 -0.609 -6.456 1.00 0.00 C ATOM 1424 O GLY A 98 -27.782 -1.474 -6.712 1.00 0.00 O ATOM 0 H GLY A 98 -26.625 -1.401 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -28.008 0.230 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -26.586 1.137 -5.272 1.00 0.00 H new TER 1428 GLY A 98