USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 819 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 23 TYR OH : rot 78:sc= 1.29 USER MOD Set 1.2: A 65 SER OG : rot -172:sc= 1.21 USER MOD Single : A 3 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.4) USER MOD Single : A 7 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.074) USER MOD Single : A 13 HIS : no HD1:sc= -0.863 X(o=-0.86,f=-1.3) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -120:sc= 0.15 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0187) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0466 USER MOD Single : A 22 THR OG1 : rot -88:sc= 0.0325 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0423 (180deg=-0.278) USER MOD Single : A 29 MET CE :methyl -108:sc= -2.8 (180deg=-3.85!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.45! C(o=-1.5!,f=-6!) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0868) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.155 F(o=-1,f=-0.16) USER MOD Single : A 50 SER OG : rot 109:sc= 1.04 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0207 F(o=-4.4!,f=-0.021) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -155:sc= 1.58 (180deg=0.354) USER MOD Single : A 74 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.4) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 1.01 (180deg=0.933) USER MOD Single : A 76 GLN : amide:sc= -0.805 K(o=-0.81,f=-4.5!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 160:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= 0.979 (180deg=0.971) USER MOD Single : A 96 TYR OH : rot 80:sc= 0.93 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -9.688 -8.947 15.785 1.00 70.41 N ATOM 21 CA ASP A 2 -10.010 -10.280 15.255 1.00 43.34 C ATOM 22 C ASP A 2 -9.139 -10.680 14.048 1.00 11.25 C ATOM 23 O ASP A 2 -8.375 -9.870 13.515 1.00 23.40 O ATOM 24 CB ASP A 2 -11.492 -10.339 14.890 1.00 3.20 C ATOM 25 CG ASP A 2 -12.373 -10.111 16.104 1.00 71.23 C ATOM 26 OD1 ASP A 2 -12.653 -8.939 16.430 1.00 45.33 O ATOM 27 OD2 ASP A 2 -12.769 -11.099 16.753 1.00 53.54 O ATOM 0 HA ASP A 2 -9.789 -11.003 16.041 1.00 43.34 H new ATOM 0 HB2 ASP A 2 -11.712 -9.586 14.133 1.00 3.20 H new ATOM 0 HB3 ASP A 2 -11.721 -11.310 14.450 1.00 3.20 H new ATOM 32 N GLN A 3 -9.297 -11.936 13.612 1.00 50.10 N ATOM 33 CA GLN A 3 -8.434 -12.559 12.590 1.00 31.02 C ATOM 34 C GLN A 3 -8.214 -11.676 11.351 1.00 35.34 C ATOM 35 O GLN A 3 -7.073 -11.412 10.984 1.00 43.23 O ATOM 36 CB GLN A 3 -9.016 -13.917 12.162 1.00 13.41 C ATOM 37 CG GLN A 3 -8.820 -15.041 13.181 1.00 72.31 C ATOM 38 CD GLN A 3 -9.333 -14.696 14.570 1.00 25.13 C ATOM 39 OE1 GLN A 3 -10.497 -14.916 14.890 1.00 72.21 O ATOM 40 NE2 GLN A 3 -8.469 -14.155 15.406 1.00 64.45 N ATOM 0 H GLN A 3 -10.030 -12.555 13.958 1.00 50.10 H new ATOM 0 HA GLN A 3 -7.458 -12.694 13.056 1.00 31.02 H new ATOM 0 HB2 GLN A 3 -10.083 -13.797 11.973 1.00 13.41 H new ATOM 0 HB3 GLN A 3 -8.556 -14.214 11.219 1.00 13.41 H new ATOM 0 HG2 GLN A 3 -9.331 -15.936 12.826 1.00 72.31 H new ATOM 0 HG3 GLN A 3 -7.759 -15.283 13.244 1.00 72.31 H new ATOM 0 HE21 GLN A 3 -7.508 -13.985 15.108 1.00 64.45 H new ATOM 0 HE22 GLN A 3 -8.761 -13.906 16.351 1.00 64.45 H new ATOM 49 N PHE A 4 -9.298 -11.232 10.713 1.00 51.34 N ATOM 50 CA PHE A 4 -9.203 -10.428 9.482 1.00 1.05 C ATOM 51 C PHE A 4 -8.153 -9.310 9.603 1.00 12.15 C ATOM 52 O PHE A 4 -7.199 -9.250 8.823 1.00 14.10 O ATOM 53 CB PHE A 4 -10.575 -9.830 9.127 1.00 43.01 C ATOM 54 CG PHE A 4 -10.560 -8.977 7.878 1.00 62.34 C ATOM 55 CD1 PHE A 4 -10.339 -9.552 6.635 1.00 64.04 C ATOM 56 CD2 PHE A 4 -10.759 -7.603 7.947 1.00 13.11 C ATOM 57 CE1 PHE A 4 -10.316 -8.779 5.491 1.00 22.54 C ATOM 58 CE2 PHE A 4 -10.738 -6.827 6.802 1.00 53.11 C ATOM 59 CZ PHE A 4 -10.516 -7.415 5.574 1.00 73.13 C ATOM 0 H PHE A 4 -10.253 -11.412 11.023 1.00 51.34 H new ATOM 0 HA PHE A 4 -8.882 -11.095 8.682 1.00 1.05 H new ATOM 0 HB2 PHE A 4 -11.292 -10.640 8.995 1.00 43.01 H new ATOM 0 HB3 PHE A 4 -10.927 -9.227 9.964 1.00 43.01 H new ATOM 0 HD1 PHE A 4 -10.183 -10.618 6.561 1.00 64.04 H new ATOM 0 HD2 PHE A 4 -10.932 -7.136 8.905 1.00 13.11 H new ATOM 0 HE1 PHE A 4 -10.141 -9.241 4.531 1.00 22.54 H new ATOM 0 HE2 PHE A 4 -10.895 -5.761 6.869 1.00 53.11 H new ATOM 0 HZ PHE A 4 -10.499 -6.810 4.680 1.00 73.13 H new ATOM 69 N LEU A 5 -8.324 -8.446 10.598 1.00 22.12 N ATOM 70 CA LEU A 5 -7.394 -7.338 10.829 1.00 35.20 C ATOM 71 C LEU A 5 -6.003 -7.848 11.246 1.00 14.23 C ATOM 72 O LEU A 5 -4.986 -7.350 10.770 1.00 53.22 O ATOM 73 CB LEU A 5 -7.958 -6.395 11.898 1.00 11.35 C ATOM 74 CG LEU A 5 -9.320 -5.765 11.565 1.00 41.41 C ATOM 75 CD1 LEU A 5 -9.800 -4.881 12.713 1.00 24.11 C ATOM 76 CD2 LEU A 5 -9.244 -4.967 10.261 1.00 44.05 C ATOM 0 H LEU A 5 -9.098 -8.489 11.260 1.00 22.12 H new ATOM 0 HA LEU A 5 -7.280 -6.792 9.893 1.00 35.20 H new ATOM 0 HB2 LEU A 5 -8.050 -6.947 12.834 1.00 11.35 H new ATOM 0 HB3 LEU A 5 -7.238 -5.595 12.070 1.00 11.35 H new ATOM 0 HG LEU A 5 -10.043 -6.569 11.429 1.00 41.41 H new ATOM 0 HD11 LEU A 5 -10.766 -4.445 12.457 1.00 24.11 H new ATOM 0 HD12 LEU A 5 -9.901 -5.482 13.617 1.00 24.11 H new ATOM 0 HD13 LEU A 5 -9.076 -4.084 12.886 1.00 24.11 H new ATOM 0 HD21 LEU A 5 -10.219 -4.530 10.045 1.00 44.05 H new ATOM 0 HD22 LEU A 5 -8.505 -4.173 10.363 1.00 44.05 H new ATOM 0 HD23 LEU A 5 -8.954 -5.629 9.445 1.00 44.05 H new ATOM 88 N VAL A 6 -5.972 -8.852 12.124 1.00 72.33 N ATOM 89 CA VAL A 6 -4.708 -9.442 12.592 1.00 42.43 C ATOM 90 C VAL A 6 -3.839 -9.945 11.422 1.00 50.13 C ATOM 91 O VAL A 6 -2.622 -9.744 11.406 1.00 52.33 O ATOM 92 CB VAL A 6 -4.977 -10.611 13.581 1.00 33.31 C ATOM 93 CG1 VAL A 6 -3.697 -11.375 13.920 1.00 52.11 C ATOM 94 CG2 VAL A 6 -5.636 -10.090 14.856 1.00 63.23 C ATOM 0 H VAL A 6 -6.807 -9.277 12.528 1.00 72.33 H new ATOM 0 HA VAL A 6 -4.161 -8.652 13.106 1.00 42.43 H new ATOM 0 HB VAL A 6 -5.656 -11.307 13.088 1.00 33.31 H new ATOM 0 HG11 VAL A 6 -3.929 -12.183 14.614 1.00 52.11 H new ATOM 0 HG12 VAL A 6 -3.269 -11.791 13.008 1.00 52.11 H new ATOM 0 HG13 VAL A 6 -2.979 -10.696 14.381 1.00 52.11 H new ATOM 0 HG21 VAL A 6 -5.817 -10.921 15.538 1.00 63.23 H new ATOM 0 HG22 VAL A 6 -4.978 -9.365 15.335 1.00 63.23 H new ATOM 0 HG23 VAL A 6 -6.583 -9.612 14.607 1.00 63.23 H new ATOM 104 N GLN A 7 -4.479 -10.583 10.439 1.00 64.12 N ATOM 105 CA GLN A 7 -3.772 -11.148 9.282 1.00 0.33 C ATOM 106 C GLN A 7 -3.243 -10.047 8.350 1.00 62.35 C ATOM 107 O GLN A 7 -2.042 -9.968 8.087 1.00 65.04 O ATOM 108 CB GLN A 7 -4.694 -12.098 8.496 1.00 73.03 C ATOM 109 CG GLN A 7 -5.265 -13.246 9.326 1.00 21.14 C ATOM 110 CD GLN A 7 -4.192 -14.081 10.001 1.00 24.45 C ATOM 111 OE1 GLN A 7 -3.702 -15.058 9.448 1.00 64.34 O ATOM 112 NE2 GLN A 7 -3.824 -13.709 11.212 1.00 63.11 N ATOM 0 H GLN A 7 -5.489 -10.723 10.420 1.00 64.12 H new ATOM 0 HA GLN A 7 -2.919 -11.709 9.664 1.00 0.33 H new ATOM 0 HB2 GLN A 7 -5.519 -11.522 8.078 1.00 73.03 H new ATOM 0 HB3 GLN A 7 -4.137 -12.514 7.656 1.00 73.03 H new ATOM 0 HG2 GLN A 7 -5.933 -12.840 10.086 1.00 21.14 H new ATOM 0 HG3 GLN A 7 -5.866 -13.888 8.682 1.00 21.14 H new ATOM 0 HE21 GLN A 7 -4.251 -12.890 11.646 1.00 63.11 H new ATOM 0 HE22 GLN A 7 -3.113 -14.240 11.714 1.00 63.11 H new ATOM 121 N ILE A 8 -4.143 -9.190 7.858 1.00 64.03 N ATOM 122 CA ILE A 8 -3.760 -8.135 6.910 1.00 13.25 C ATOM 123 C ILE A 8 -2.703 -7.187 7.507 1.00 43.13 C ATOM 124 O ILE A 8 -1.739 -6.821 6.832 1.00 13.14 O ATOM 125 CB ILE A 8 -4.990 -7.322 6.419 1.00 63.12 C ATOM 126 CG1 ILE A 8 -5.717 -6.650 7.594 1.00 45.22 C ATOM 127 CG2 ILE A 8 -5.949 -8.226 5.640 1.00 64.23 C ATOM 128 CD1 ILE A 8 -6.924 -5.827 7.187 1.00 24.21 C ATOM 0 H ILE A 8 -5.135 -9.204 8.097 1.00 64.03 H new ATOM 0 HA ILE A 8 -3.321 -8.640 6.050 1.00 13.25 H new ATOM 0 HB ILE A 8 -4.632 -6.536 5.754 1.00 63.12 H new ATOM 0 HG12 ILE A 8 -6.036 -7.419 8.298 1.00 45.22 H new ATOM 0 HG13 ILE A 8 -5.013 -6.007 8.122 1.00 45.22 H new ATOM 0 HG21 ILE A 8 -6.806 -7.643 5.303 1.00 64.23 H new ATOM 0 HG22 ILE A 8 -5.433 -8.646 4.777 1.00 64.23 H new ATOM 0 HG23 ILE A 8 -6.292 -9.034 6.286 1.00 64.23 H new ATOM 0 HD11 ILE A 8 -7.380 -5.387 8.074 1.00 24.21 H new ATOM 0 HD12 ILE A 8 -6.611 -5.034 6.508 1.00 24.21 H new ATOM 0 HD13 ILE A 8 -7.649 -6.468 6.686 1.00 24.21 H new ATOM 140 N PHE A 9 -2.869 -6.813 8.779 1.00 44.02 N ATOM 141 CA PHE A 9 -1.883 -5.967 9.470 1.00 34.21 C ATOM 142 C PHE A 9 -0.515 -6.663 9.545 1.00 43.21 C ATOM 143 O PHE A 9 0.513 -6.069 9.220 1.00 30.33 O ATOM 144 CB PHE A 9 -2.364 -5.606 10.888 1.00 13.51 C ATOM 145 CG PHE A 9 -3.556 -4.671 10.940 1.00 60.34 C ATOM 146 CD1 PHE A 9 -4.250 -4.311 9.789 1.00 22.30 C ATOM 147 CD2 PHE A 9 -3.981 -4.149 12.156 1.00 70.34 C ATOM 148 CE1 PHE A 9 -5.337 -3.456 9.852 1.00 65.21 C ATOM 149 CE2 PHE A 9 -5.067 -3.294 12.222 1.00 0.00 C ATOM 150 CZ PHE A 9 -5.746 -2.948 11.070 1.00 10.14 C ATOM 0 H PHE A 9 -3.671 -7.079 9.351 1.00 44.02 H new ATOM 0 HA PHE A 9 -1.776 -5.049 8.892 1.00 34.21 H new ATOM 0 HB2 PHE A 9 -2.619 -6.526 11.414 1.00 13.51 H new ATOM 0 HB3 PHE A 9 -1.537 -5.147 11.430 1.00 13.51 H new ATOM 0 HD1 PHE A 9 -3.936 -4.704 8.833 1.00 22.30 H new ATOM 0 HD2 PHE A 9 -3.456 -4.414 13.062 1.00 70.34 H new ATOM 0 HE1 PHE A 9 -5.865 -3.186 8.949 1.00 65.21 H new ATOM 0 HE2 PHE A 9 -5.384 -2.897 13.175 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.595 -2.282 11.121 1.00 10.14 H new ATOM 160 N ALA A 10 -0.517 -7.932 9.960 1.00 22.12 N ATOM 161 CA ALA A 10 0.716 -8.723 10.074 1.00 51.35 C ATOM 162 C ALA A 10 1.524 -8.722 8.766 1.00 42.24 C ATOM 163 O ALA A 10 2.755 -8.623 8.780 1.00 45.32 O ATOM 164 CB ALA A 10 0.383 -10.154 10.485 1.00 15.13 C ATOM 0 H ALA A 10 -1.362 -8.438 10.224 1.00 22.12 H new ATOM 0 HA ALA A 10 1.335 -8.258 10.841 1.00 51.35 H new ATOM 0 HB1 ALA A 10 1.303 -10.733 10.567 1.00 15.13 H new ATOM 0 HB2 ALA A 10 -0.128 -10.146 11.448 1.00 15.13 H new ATOM 0 HB3 ALA A 10 -0.265 -10.607 9.734 1.00 15.13 H new ATOM 170 N VAL A 11 0.824 -8.835 7.639 1.00 21.14 N ATOM 171 CA VAL A 11 1.465 -8.809 6.321 1.00 34.55 C ATOM 172 C VAL A 11 2.050 -7.420 6.008 1.00 11.33 C ATOM 173 O VAL A 11 3.199 -7.300 5.581 1.00 33.32 O ATOM 174 CB VAL A 11 0.466 -9.205 5.203 1.00 64.45 C ATOM 175 CG1 VAL A 11 1.141 -9.189 3.833 1.00 55.23 C ATOM 176 CG2 VAL A 11 -0.150 -10.576 5.488 1.00 54.33 C ATOM 0 H VAL A 11 -0.190 -8.946 7.610 1.00 21.14 H new ATOM 0 HA VAL A 11 2.276 -9.537 6.350 1.00 34.55 H new ATOM 0 HB VAL A 11 -0.335 -8.466 5.191 1.00 64.45 H new ATOM 0 HG11 VAL A 11 0.418 -9.471 3.068 1.00 55.23 H new ATOM 0 HG12 VAL A 11 1.518 -8.188 3.625 1.00 55.23 H new ATOM 0 HG13 VAL A 11 1.969 -9.897 3.827 1.00 55.23 H new ATOM 0 HG21 VAL A 11 -0.848 -10.834 4.691 1.00 54.33 H new ATOM 0 HG22 VAL A 11 0.639 -11.326 5.537 1.00 54.33 H new ATOM 0 HG23 VAL A 11 -0.681 -10.546 6.439 1.00 54.33 H new ATOM 186 N ILE A 12 1.257 -6.375 6.241 1.00 65.21 N ATOM 187 CA ILE A 12 1.670 -4.996 5.938 1.00 63.24 C ATOM 188 C ILE A 12 2.880 -4.550 6.786 1.00 60.04 C ATOM 189 O ILE A 12 3.741 -3.807 6.312 1.00 15.12 O ATOM 190 CB ILE A 12 0.491 -4.009 6.136 1.00 32.52 C ATOM 191 CG1 ILE A 12 -0.683 -4.393 5.217 1.00 64.30 C ATOM 192 CG2 ILE A 12 0.928 -2.566 5.876 1.00 53.31 C ATOM 193 CD1 ILE A 12 -1.920 -3.537 5.408 1.00 1.10 C ATOM 0 H ILE A 12 0.321 -6.453 6.640 1.00 65.21 H new ATOM 0 HA ILE A 12 1.975 -4.982 4.892 1.00 63.24 H new ATOM 0 HB ILE A 12 0.162 -4.075 7.173 1.00 32.52 H new ATOM 0 HG12 ILE A 12 -0.358 -4.318 4.179 1.00 64.30 H new ATOM 0 HG13 ILE A 12 -0.944 -5.436 5.395 1.00 64.30 H new ATOM 0 HG21 ILE A 12 0.080 -1.897 6.023 1.00 53.31 H new ATOM 0 HG22 ILE A 12 1.726 -2.297 6.568 1.00 53.31 H new ATOM 0 HG23 ILE A 12 1.290 -2.474 4.852 1.00 53.31 H new ATOM 0 HD11 ILE A 12 -2.702 -3.870 4.725 1.00 1.10 H new ATOM 0 HD12 ILE A 12 -2.272 -3.630 6.435 1.00 1.10 H new ATOM 0 HD13 ILE A 12 -1.677 -2.495 5.201 1.00 1.10 H new ATOM 205 N HIS A 13 2.952 -5.011 8.036 1.00 24.04 N ATOM 206 CA HIS A 13 4.117 -4.735 8.897 1.00 42.30 C ATOM 207 C HIS A 13 5.427 -5.272 8.284 1.00 43.04 C ATOM 208 O HIS A 13 6.522 -4.865 8.682 1.00 20.13 O ATOM 209 CB HIS A 13 3.930 -5.355 10.293 1.00 43.04 C ATOM 210 CG HIS A 13 3.013 -4.585 11.203 1.00 2.01 C ATOM 211 ND1 HIS A 13 3.375 -3.359 11.706 1.00 21.32 N ATOM 212 CD2 HIS A 13 1.790 -4.913 11.689 1.00 53.42 C ATOM 213 CE1 HIS A 13 2.378 -2.971 12.479 1.00 51.02 C ATOM 214 NE2 HIS A 13 1.395 -3.878 12.501 1.00 34.32 N ATOM 0 H HIS A 13 2.225 -5.574 8.478 1.00 24.04 H new ATOM 0 HA HIS A 13 4.189 -3.651 8.983 1.00 42.30 H new ATOM 0 HB2 HIS A 13 3.540 -6.366 10.178 1.00 43.04 H new ATOM 0 HB3 HIS A 13 4.906 -5.442 10.771 1.00 43.04 H new ATOM 0 HD2 HIS A 13 1.234 -5.814 11.478 1.00 53.42 H new ATOM 0 HE1 HIS A 13 2.358 -2.039 13.025 1.00 51.02 H new ATOM 0 HE2 HIS A 13 0.520 -3.813 13.021 1.00 34.32 H new ATOM 222 N GLN A 14 5.311 -6.190 7.324 1.00 63.44 N ATOM 223 CA GLN A 14 6.480 -6.860 6.739 1.00 64.23 C ATOM 224 C GLN A 14 6.836 -6.343 5.330 1.00 12.04 C ATOM 225 O GLN A 14 7.644 -6.958 4.633 1.00 33.53 O ATOM 226 CB GLN A 14 6.229 -8.371 6.687 1.00 0.42 C ATOM 227 CG GLN A 14 6.068 -9.012 8.062 1.00 53.15 C ATOM 228 CD GLN A 14 5.825 -10.511 7.999 1.00 23.13 C ATOM 229 OE1 GLN A 14 5.152 -10.967 6.960 1.00 60.01 O flip ATOM 230 NE2 GLN A 14 6.230 -11.257 8.884 1.00 4.02 N flip ATOM 0 H GLN A 14 4.418 -6.489 6.932 1.00 63.44 H new ATOM 0 HA GLN A 14 7.331 -6.633 7.380 1.00 64.23 H new ATOM 0 HB2 GLN A 14 5.331 -8.561 6.099 1.00 0.42 H new ATOM 0 HB3 GLN A 14 7.058 -8.851 6.167 1.00 0.42 H new ATOM 0 HG2 GLN A 14 6.964 -8.820 8.652 1.00 53.15 H new ATOM 0 HG3 GLN A 14 5.236 -8.537 8.582 1.00 53.15 H new ATOM 0 HE21 GLN A 14 6.748 -10.875 9.676 1.00 4.02 H new ATOM 0 HE22 GLN A 14 6.049 -12.259 8.829 1.00 4.02 H new ATOM 239 N ILE A 15 6.249 -5.222 4.911 1.00 43.52 N ATOM 240 CA ILE A 15 6.594 -4.630 3.610 1.00 74.53 C ATOM 241 C ILE A 15 8.027 -4.051 3.639 1.00 4.35 C ATOM 242 O ILE A 15 8.327 -3.162 4.442 1.00 23.53 O ATOM 243 CB ILE A 15 5.599 -3.510 3.198 1.00 12.31 C ATOM 244 CG1 ILE A 15 4.144 -4.019 3.233 1.00 4.32 C ATOM 245 CG2 ILE A 15 5.943 -2.976 1.807 1.00 31.20 C ATOM 246 CD1 ILE A 15 3.854 -5.145 2.261 1.00 71.33 C ATOM 0 H ILE A 15 5.543 -4.710 5.440 1.00 43.52 H new ATOM 0 HA ILE A 15 6.534 -5.430 2.872 1.00 74.53 H new ATOM 0 HB ILE A 15 5.690 -2.697 3.918 1.00 12.31 H new ATOM 0 HG12 ILE A 15 3.914 -4.358 4.243 1.00 4.32 H new ATOM 0 HG13 ILE A 15 3.475 -3.186 3.017 1.00 4.32 H new ATOM 0 HG21 ILE A 15 5.237 -2.192 1.533 1.00 31.20 H new ATOM 0 HG22 ILE A 15 6.954 -2.568 1.814 1.00 31.20 H new ATOM 0 HG23 ILE A 15 5.884 -3.787 1.081 1.00 31.20 H new ATOM 0 HD11 ILE A 15 2.809 -5.443 2.351 1.00 71.33 H new ATOM 0 HD12 ILE A 15 4.049 -4.806 1.243 1.00 71.33 H new ATOM 0 HD13 ILE A 15 4.495 -5.997 2.489 1.00 71.33 H new ATOM 258 N PRO A 16 8.935 -4.554 2.773 1.00 15.42 N ATOM 259 CA PRO A 16 10.352 -4.133 2.767 1.00 54.12 C ATOM 260 C PRO A 16 10.569 -2.701 2.244 1.00 52.02 C ATOM 261 O PRO A 16 9.726 -2.143 1.533 1.00 1.32 O ATOM 262 CB PRO A 16 11.017 -5.160 1.837 1.00 71.02 C ATOM 263 CG PRO A 16 9.927 -5.583 0.913 1.00 1.04 C ATOM 264 CD PRO A 16 8.662 -5.569 1.735 1.00 54.14 C ATOM 0 HA PRO A 16 10.765 -4.108 3.776 1.00 54.12 H new ATOM 0 HB2 PRO A 16 11.852 -4.720 1.292 1.00 71.02 H new ATOM 0 HB3 PRO A 16 11.413 -6.006 2.398 1.00 71.02 H new ATOM 0 HG2 PRO A 16 9.849 -4.904 0.064 1.00 1.04 H new ATOM 0 HG3 PRO A 16 10.120 -6.577 0.510 1.00 1.04 H new ATOM 0 HD2 PRO A 16 7.794 -5.302 1.132 1.00 54.14 H new ATOM 0 HD3 PRO A 16 8.457 -6.546 2.173 1.00 54.14 H new ATOM 272 N LYS A 17 11.718 -2.119 2.592 1.00 41.21 N ATOM 273 CA LYS A 17 12.047 -0.740 2.223 1.00 42.40 C ATOM 274 C LYS A 17 12.167 -0.580 0.699 1.00 0.35 C ATOM 275 O LYS A 17 12.740 -1.430 0.013 1.00 60.43 O ATOM 276 CB LYS A 17 13.350 -0.313 2.935 1.00 63.45 C ATOM 277 CG LYS A 17 13.779 1.141 2.698 1.00 42.23 C ATOM 278 CD LYS A 17 14.519 1.324 1.374 1.00 40.53 C ATOM 279 CE LYS A 17 14.842 2.788 1.102 1.00 13.43 C ATOM 280 NZ LYS A 17 15.557 2.965 -0.192 1.00 12.01 N ATOM 0 H LYS A 17 12.444 -2.587 3.135 1.00 41.21 H new ATOM 0 HA LYS A 17 11.236 -0.088 2.547 1.00 42.40 H new ATOM 0 HB2 LYS A 17 13.227 -0.468 4.007 1.00 63.45 H new ATOM 0 HB3 LYS A 17 14.156 -0.970 2.608 1.00 63.45 H new ATOM 0 HG2 LYS A 17 12.898 1.783 2.710 1.00 42.23 H new ATOM 0 HG3 LYS A 17 14.421 1.465 3.517 1.00 42.23 H new ATOM 0 HD2 LYS A 17 15.443 0.745 1.391 1.00 40.53 H new ATOM 0 HD3 LYS A 17 13.911 0.929 0.560 1.00 40.53 H new ATOM 0 HE2 LYS A 17 13.919 3.368 1.090 1.00 13.43 H new ATOM 0 HE3 LYS A 17 15.455 3.182 1.913 1.00 13.43 H new ATOM 0 HZ1 LYS A 17 16.486 3.400 -0.019 1.00 12.01 H new ATOM 0 HZ2 LYS A 17 15.688 2.038 -0.646 1.00 12.01 H new ATOM 0 HZ3 LYS A 17 14.998 3.580 -0.816 1.00 12.01 H new ATOM 294 N GLY A 18 11.620 0.518 0.176 1.00 4.42 N ATOM 295 CA GLY A 18 11.696 0.797 -1.257 1.00 63.20 C ATOM 296 C GLY A 18 10.666 0.040 -2.094 1.00 43.00 C ATOM 297 O GLY A 18 10.435 0.379 -3.258 1.00 60.04 O ATOM 0 H GLY A 18 11.123 1.224 0.719 1.00 4.42 H new ATOM 0 HA2 GLY A 18 11.562 1.867 -1.416 1.00 63.20 H new ATOM 0 HA3 GLY A 18 12.695 0.544 -1.613 1.00 63.20 H new ATOM 301 N LYS A 19 10.052 -0.991 -1.518 1.00 14.21 N ATOM 302 CA LYS A 19 9.036 -1.781 -2.223 1.00 42.03 C ATOM 303 C LYS A 19 7.623 -1.524 -1.674 1.00 54.12 C ATOM 304 O LYS A 19 7.448 -1.144 -0.511 1.00 13.14 O ATOM 305 CB LYS A 19 9.373 -3.276 -2.132 1.00 13.12 C ATOM 306 CG LYS A 19 10.571 -3.692 -2.984 1.00 24.24 C ATOM 307 CD LYS A 19 10.311 -3.448 -4.469 1.00 33.12 C ATOM 308 CE LYS A 19 11.449 -3.955 -5.350 1.00 40.42 C ATOM 309 NZ LYS A 19 12.734 -3.258 -5.078 1.00 13.35 N ATOM 0 H LYS A 19 10.238 -1.302 -0.564 1.00 14.21 H new ATOM 0 HA LYS A 19 9.044 -1.469 -3.267 1.00 42.03 H new ATOM 0 HB2 LYS A 19 9.573 -3.531 -1.091 1.00 13.12 H new ATOM 0 HB3 LYS A 19 8.502 -3.854 -2.440 1.00 13.12 H new ATOM 0 HG2 LYS A 19 11.453 -3.134 -2.671 1.00 24.24 H new ATOM 0 HG3 LYS A 19 10.787 -4.748 -2.820 1.00 24.24 H new ATOM 0 HD2 LYS A 19 9.383 -3.942 -4.759 1.00 33.12 H new ATOM 0 HD3 LYS A 19 10.171 -2.381 -4.640 1.00 33.12 H new ATOM 0 HE2 LYS A 19 11.579 -5.025 -5.190 1.00 40.42 H new ATOM 0 HE3 LYS A 19 11.181 -3.820 -6.398 1.00 40.42 H new ATOM 0 HZ1 LYS A 19 13.458 -3.590 -5.747 1.00 13.35 H new ATOM 0 HZ2 LYS A 19 12.603 -2.232 -5.190 1.00 13.35 H new ATOM 0 HZ3 LYS A 19 13.041 -3.463 -4.106 1.00 13.35 H new ATOM 323 N VAL A 20 6.623 -1.736 -2.529 1.00 70.42 N ATOM 324 CA VAL A 20 5.211 -1.568 -2.161 1.00 2.10 C ATOM 325 C VAL A 20 4.387 -2.790 -2.601 1.00 12.21 C ATOM 326 O VAL A 20 4.920 -3.727 -3.198 1.00 1.32 O ATOM 327 CB VAL A 20 4.602 -0.286 -2.798 1.00 61.25 C ATOM 328 CG1 VAL A 20 5.345 0.964 -2.331 1.00 21.41 C ATOM 329 CG2 VAL A 20 4.608 -0.381 -4.323 1.00 72.22 C ATOM 0 H VAL A 20 6.765 -2.029 -3.496 1.00 70.42 H new ATOM 0 HA VAL A 20 5.172 -1.471 -1.076 1.00 2.10 H new ATOM 0 HB VAL A 20 3.567 -0.206 -2.466 1.00 61.25 H new ATOM 0 HG11 VAL A 20 4.899 1.846 -2.791 1.00 21.41 H new ATOM 0 HG12 VAL A 20 5.274 1.046 -1.246 1.00 21.41 H new ATOM 0 HG13 VAL A 20 6.393 0.894 -2.622 1.00 21.41 H new ATOM 0 HG21 VAL A 20 4.177 0.527 -4.746 1.00 72.22 H new ATOM 0 HG22 VAL A 20 5.633 -0.495 -4.676 1.00 72.22 H new ATOM 0 HG23 VAL A 20 4.018 -1.242 -4.636 1.00 72.22 H new ATOM 339 N SER A 21 3.088 -2.782 -2.306 1.00 65.40 N ATOM 340 CA SER A 21 2.198 -3.880 -2.718 1.00 4.02 C ATOM 341 C SER A 21 0.766 -3.383 -2.959 1.00 32.10 C ATOM 342 O SER A 21 0.481 -2.189 -2.854 1.00 33.22 O ATOM 343 CB SER A 21 2.193 -5.001 -1.666 1.00 52.11 C ATOM 344 OG SER A 21 1.460 -6.132 -2.121 1.00 51.44 O ATOM 0 H SER A 21 2.625 -2.036 -1.787 1.00 65.40 H new ATOM 0 HA SER A 21 2.584 -4.276 -3.657 1.00 4.02 H new ATOM 0 HB2 SER A 21 3.218 -5.296 -1.440 1.00 52.11 H new ATOM 0 HB3 SER A 21 1.756 -4.631 -0.739 1.00 52.11 H new ATOM 0 HG SER A 21 1.475 -6.830 -1.433 1.00 51.44 H new ATOM 350 N THR A 22 -0.135 -4.309 -3.281 1.00 44.13 N ATOM 351 CA THR A 22 -1.528 -3.969 -3.607 1.00 61.52 C ATOM 352 C THR A 22 -2.515 -4.665 -2.663 1.00 60.15 C ATOM 353 O THR A 22 -2.233 -5.743 -2.138 1.00 64.55 O ATOM 354 CB THR A 22 -1.885 -4.366 -5.058 1.00 65.43 C ATOM 355 OG1 THR A 22 -1.857 -5.795 -5.198 1.00 30.41 O ATOM 356 CG2 THR A 22 -0.918 -3.732 -6.054 1.00 71.51 C ATOM 0 H THR A 22 0.071 -5.307 -3.325 1.00 44.13 H new ATOM 0 HA THR A 22 -1.611 -2.888 -3.491 1.00 61.52 H new ATOM 0 HB THR A 22 -2.889 -3.999 -5.272 1.00 65.43 H new ATOM 0 HG1 THR A 22 -0.950 -6.083 -5.434 1.00 30.41 H new ATOM 0 HG21 THR A 22 -1.193 -4.028 -7.066 1.00 71.51 H new ATOM 0 HG22 THR A 22 -0.966 -2.647 -5.968 1.00 71.51 H new ATOM 0 HG23 THR A 22 0.097 -4.068 -5.840 1.00 71.51 H new ATOM 364 N TYR A 23 -3.682 -4.046 -2.460 1.00 33.42 N ATOM 365 CA TYR A 23 -4.725 -4.613 -1.587 1.00 60.25 C ATOM 366 C TYR A 23 -5.103 -6.046 -1.995 1.00 13.55 C ATOM 367 O TYR A 23 -5.366 -6.895 -1.140 1.00 65.13 O ATOM 368 CB TYR A 23 -5.975 -3.723 -1.593 1.00 25.43 C ATOM 369 CG TYR A 23 -5.709 -2.312 -1.106 1.00 14.44 C ATOM 370 CD1 TYR A 23 -5.219 -2.085 0.175 1.00 42.31 C ATOM 371 CD2 TYR A 23 -5.931 -1.213 -1.927 1.00 73.23 C ATOM 372 CE1 TYR A 23 -4.961 -0.806 0.623 1.00 65.32 C ATOM 373 CE2 TYR A 23 -5.672 0.069 -1.485 1.00 32.14 C ATOM 374 CZ TYR A 23 -5.187 0.265 -0.210 1.00 2.54 C ATOM 375 OH TYR A 23 -4.923 1.538 0.233 1.00 72.34 O ATOM 0 H TYR A 23 -3.932 -3.153 -2.886 1.00 33.42 H new ATOM 0 HA TYR A 23 -4.312 -4.651 -0.579 1.00 60.25 H new ATOM 0 HB2 TYR A 23 -6.378 -3.681 -2.605 1.00 25.43 H new ATOM 0 HB3 TYR A 23 -6.740 -4.179 -0.964 1.00 25.43 H new ATOM 0 HD1 TYR A 23 -5.037 -2.924 0.830 1.00 42.31 H new ATOM 0 HD2 TYR A 23 -6.312 -1.364 -2.926 1.00 73.23 H new ATOM 0 HE1 TYR A 23 -4.584 -0.646 1.622 1.00 65.32 H new ATOM 0 HE2 TYR A 23 -5.848 0.913 -2.135 1.00 32.14 H new ATOM 0 HH TYR A 23 -3.958 1.703 0.198 1.00 72.34 H new ATOM 385 N GLY A 24 -5.128 -6.308 -3.302 1.00 71.41 N ATOM 386 CA GLY A 24 -5.420 -7.648 -3.800 1.00 15.44 C ATOM 387 C GLY A 24 -4.415 -8.689 -3.315 1.00 42.22 C ATOM 388 O GLY A 24 -4.795 -9.747 -2.811 1.00 55.35 O ATOM 0 H GLY A 24 -4.951 -5.614 -4.029 1.00 71.41 H new ATOM 0 HA2 GLY A 24 -6.421 -7.939 -3.481 1.00 15.44 H new ATOM 0 HA3 GLY A 24 -5.424 -7.633 -4.890 1.00 15.44 H new ATOM 392 N GLU A 25 -3.125 -8.378 -3.453 1.00 2.14 N ATOM 393 CA GLU A 25 -2.059 -9.280 -3.002 1.00 64.21 C ATOM 394 C GLU A 25 -2.073 -9.452 -1.474 1.00 12.03 C ATOM 395 O GLU A 25 -1.897 -10.561 -0.965 1.00 72.32 O ATOM 396 CB GLU A 25 -0.692 -8.761 -3.466 1.00 42.02 C ATOM 397 CG GLU A 25 -0.544 -8.722 -4.981 1.00 70.00 C ATOM 398 CD GLU A 25 0.801 -8.174 -5.426 1.00 71.14 C ATOM 399 OE1 GLU A 25 0.920 -6.941 -5.594 1.00 12.03 O ATOM 400 OE2 GLU A 25 1.742 -8.974 -5.621 1.00 11.24 O ATOM 0 H GLU A 25 -2.791 -7.510 -3.873 1.00 2.14 H new ATOM 0 HA GLU A 25 -2.240 -10.258 -3.448 1.00 64.21 H new ATOM 0 HB2 GLU A 25 -0.537 -7.758 -3.067 1.00 42.02 H new ATOM 0 HB3 GLU A 25 0.090 -9.395 -3.048 1.00 42.02 H new ATOM 0 HG2 GLU A 25 -0.672 -9.728 -5.380 1.00 70.00 H new ATOM 0 HG3 GLU A 25 -1.339 -8.108 -5.404 1.00 70.00 H new ATOM 407 N ILE A 26 -2.287 -8.350 -0.749 1.00 2.13 N ATOM 408 CA ILE A 26 -2.414 -8.399 0.714 1.00 51.02 C ATOM 409 C ILE A 26 -3.544 -9.352 1.131 1.00 3.40 C ATOM 410 O ILE A 26 -3.367 -10.205 2.004 1.00 10.33 O ATOM 411 CB ILE A 26 -2.680 -6.989 1.309 1.00 2.43 C ATOM 412 CG1 ILE A 26 -1.516 -6.031 0.988 1.00 31.04 C ATOM 413 CG2 ILE A 26 -2.911 -7.071 2.821 1.00 61.44 C ATOM 414 CD1 ILE A 26 -0.180 -6.464 1.562 1.00 1.34 C ATOM 0 H ILE A 26 -2.376 -7.415 -1.148 1.00 2.13 H new ATOM 0 HA ILE A 26 -1.467 -8.769 1.108 1.00 51.02 H new ATOM 0 HB ILE A 26 -3.584 -6.593 0.847 1.00 2.43 H new ATOM 0 HG12 ILE A 26 -1.422 -5.941 -0.094 1.00 31.04 H new ATOM 0 HG13 ILE A 26 -1.759 -5.040 1.371 1.00 31.04 H new ATOM 0 HG21 ILE A 26 -3.095 -6.072 3.216 1.00 61.44 H new ATOM 0 HG22 ILE A 26 -3.774 -7.706 3.023 1.00 61.44 H new ATOM 0 HG23 ILE A 26 -2.029 -7.494 3.301 1.00 61.44 H new ATOM 0 HD11 ILE A 26 0.585 -5.737 1.291 1.00 1.34 H new ATOM 0 HD12 ILE A 26 -0.253 -6.526 2.648 1.00 1.34 H new ATOM 0 HD13 ILE A 26 0.089 -7.441 1.160 1.00 1.34 H new ATOM 426 N ALA A 27 -4.697 -9.211 0.482 1.00 34.52 N ATOM 427 CA ALA A 27 -5.846 -10.084 0.735 1.00 22.41 C ATOM 428 C ALA A 27 -5.509 -11.560 0.455 1.00 21.55 C ATOM 429 O ALA A 27 -5.818 -12.441 1.260 1.00 3.43 O ATOM 430 CB ALA A 27 -7.029 -9.637 -0.113 1.00 10.41 C ATOM 0 H ALA A 27 -4.863 -8.497 -0.227 1.00 34.52 H new ATOM 0 HA ALA A 27 -6.108 -10.004 1.790 1.00 22.41 H new ATOM 0 HB1 ALA A 27 -7.881 -10.289 0.079 1.00 10.41 H new ATOM 0 HB2 ALA A 27 -7.293 -8.611 0.143 1.00 10.41 H new ATOM 0 HB3 ALA A 27 -6.761 -9.691 -1.168 1.00 10.41 H new ATOM 436 N LYS A 28 -4.865 -11.818 -0.687 1.00 24.21 N ATOM 437 CA LYS A 28 -4.441 -13.179 -1.057 1.00 33.14 C ATOM 438 C LYS A 28 -3.514 -13.796 0.004 1.00 22.20 C ATOM 439 O LYS A 28 -3.666 -14.958 0.382 1.00 73.13 O ATOM 440 CB LYS A 28 -3.718 -13.161 -2.413 1.00 74.15 C ATOM 441 CG LYS A 28 -4.606 -12.760 -3.589 1.00 23.03 C ATOM 442 CD LYS A 28 -3.804 -12.653 -4.887 1.00 33.04 C ATOM 443 CE LYS A 28 -4.691 -12.310 -6.080 1.00 73.20 C ATOM 444 NZ LYS A 28 -5.743 -13.336 -6.304 1.00 0.12 N ATOM 0 H LYS A 28 -4.624 -11.104 -1.374 1.00 24.21 H new ATOM 0 HA LYS A 28 -5.340 -13.791 -1.124 1.00 33.14 H new ATOM 0 HB2 LYS A 28 -2.877 -12.470 -2.355 1.00 74.15 H new ATOM 0 HB3 LYS A 28 -3.305 -14.151 -2.605 1.00 74.15 H new ATOM 0 HG2 LYS A 28 -5.402 -13.494 -3.712 1.00 23.03 H new ATOM 0 HG3 LYS A 28 -5.084 -11.804 -3.376 1.00 23.03 H new ATOM 0 HD2 LYS A 28 -3.035 -11.889 -4.776 1.00 33.04 H new ATOM 0 HD3 LYS A 28 -3.292 -13.596 -5.075 1.00 33.04 H new ATOM 0 HE2 LYS A 28 -5.160 -11.340 -5.916 1.00 73.20 H new ATOM 0 HE3 LYS A 28 -4.076 -12.220 -6.975 1.00 73.20 H new ATOM 0 HZ1 LYS A 28 -6.167 -13.199 -7.244 1.00 0.12 H new ATOM 0 HZ2 LYS A 28 -5.320 -14.285 -6.249 1.00 0.12 H new ATOM 0 HZ3 LYS A 28 -6.479 -13.243 -5.576 1.00 0.12 H new ATOM 458 N MET A 29 -2.547 -13.011 0.474 1.00 0.12 N ATOM 459 CA MET A 29 -1.592 -13.481 1.482 1.00 53.23 C ATOM 460 C MET A 29 -2.242 -13.613 2.871 1.00 50.33 C ATOM 461 O MET A 29 -1.838 -14.454 3.676 1.00 53.45 O ATOM 462 CB MET A 29 -0.386 -12.537 1.546 1.00 5.22 C ATOM 463 CG MET A 29 0.466 -12.552 0.284 1.00 54.23 C ATOM 464 SD MET A 29 1.860 -11.413 0.367 1.00 73.32 S ATOM 465 CE MET A 29 1.025 -9.829 0.326 1.00 24.33 C ATOM 0 H MET A 29 -2.402 -12.047 0.175 1.00 0.12 H new ATOM 0 HA MET A 29 -1.257 -14.474 1.183 1.00 53.23 H new ATOM 0 HB2 MET A 29 -0.739 -11.521 1.724 1.00 5.22 H new ATOM 0 HB3 MET A 29 0.236 -12.812 2.398 1.00 5.22 H new ATOM 0 HG2 MET A 29 0.838 -13.562 0.115 1.00 54.23 H new ATOM 0 HG3 MET A 29 -0.157 -12.294 -0.572 1.00 54.23 H new ATOM 0 HE1 MET A 29 1.191 -9.355 -0.642 1.00 24.33 H new ATOM 0 HE2 MET A 29 -0.044 -9.977 0.479 1.00 24.33 H new ATOM 0 HE3 MET A 29 1.419 -9.189 1.115 1.00 24.33 H new ATOM 475 N ALA A 30 -3.241 -12.777 3.150 1.00 40.25 N ATOM 476 CA ALA A 30 -3.976 -12.838 4.421 1.00 74.35 C ATOM 477 C ALA A 30 -5.030 -13.962 4.424 1.00 34.34 C ATOM 478 O ALA A 30 -5.494 -14.390 5.482 1.00 71.20 O ATOM 479 CB ALA A 30 -4.638 -11.495 4.702 1.00 44.44 C ATOM 0 H ALA A 30 -3.563 -12.047 2.515 1.00 40.25 H new ATOM 0 HA ALA A 30 -3.258 -13.063 5.209 1.00 74.35 H new ATOM 0 HB1 ALA A 30 -5.181 -11.547 5.646 1.00 44.44 H new ATOM 0 HB2 ALA A 30 -3.875 -10.719 4.765 1.00 44.44 H new ATOM 0 HB3 ALA A 30 -5.332 -11.256 3.897 1.00 44.44 H new ATOM 485 N GLY A 31 -5.409 -14.426 3.234 1.00 24.42 N ATOM 486 CA GLY A 31 -6.395 -15.500 3.115 1.00 75.05 C ATOM 487 C GLY A 31 -7.824 -14.994 2.941 1.00 33.43 C ATOM 488 O GLY A 31 -8.784 -15.711 3.222 1.00 44.00 O ATOM 0 H GLY A 31 -5.051 -14.078 2.344 1.00 24.42 H new ATOM 0 HA2 GLY A 31 -6.134 -16.130 2.264 1.00 75.05 H new ATOM 0 HA3 GLY A 31 -6.346 -16.129 4.004 1.00 75.05 H new ATOM 492 N TYR A 32 -7.969 -13.755 2.476 1.00 42.20 N ATOM 493 CA TYR A 32 -9.291 -13.149 2.251 1.00 5.21 C ATOM 494 C TYR A 32 -9.388 -12.557 0.829 1.00 50.45 C ATOM 495 O TYR A 32 -9.512 -11.342 0.660 1.00 14.22 O ATOM 496 CB TYR A 32 -9.551 -12.051 3.295 1.00 2.41 C ATOM 497 CG TYR A 32 -9.442 -12.520 4.736 1.00 34.01 C ATOM 498 CD1 TYR A 32 -10.531 -13.086 5.392 1.00 2.14 C ATOM 499 CD2 TYR A 32 -8.248 -12.394 5.438 1.00 62.55 C ATOM 500 CE1 TYR A 32 -10.431 -13.511 6.705 1.00 23.23 C ATOM 501 CE2 TYR A 32 -8.143 -12.817 6.748 1.00 71.41 C ATOM 502 CZ TYR A 32 -9.234 -13.374 7.376 1.00 71.31 C ATOM 503 OH TYR A 32 -9.129 -13.790 8.684 1.00 44.23 O ATOM 0 H TYR A 32 -7.186 -13.144 2.245 1.00 42.20 H new ATOM 0 HA TYR A 32 -10.047 -13.927 2.352 1.00 5.21 H new ATOM 0 HB2 TYR A 32 -8.842 -11.239 3.135 1.00 2.41 H new ATOM 0 HB3 TYR A 32 -10.548 -11.641 3.133 1.00 2.41 H new ATOM 0 HD1 TYR A 32 -11.469 -13.195 4.868 1.00 2.14 H new ATOM 0 HD2 TYR A 32 -7.389 -11.958 4.950 1.00 62.55 H new ATOM 0 HE1 TYR A 32 -11.285 -13.947 7.201 1.00 23.23 H new ATOM 0 HE2 TYR A 32 -7.208 -12.711 7.278 1.00 71.41 H new ATOM 0 HH TYR A 32 -8.219 -13.623 9.008 1.00 44.23 H new ATOM 513 N PRO A 33 -9.365 -13.415 -0.212 1.00 21.53 N ATOM 514 CA PRO A 33 -9.246 -12.981 -1.623 1.00 64.33 C ATOM 515 C PRO A 33 -10.311 -11.959 -2.071 1.00 23.15 C ATOM 516 O PRO A 33 -10.032 -11.092 -2.903 1.00 42.22 O ATOM 517 CB PRO A 33 -9.387 -14.294 -2.421 1.00 73.45 C ATOM 518 CG PRO A 33 -9.978 -15.277 -1.464 1.00 4.44 C ATOM 519 CD PRO A 33 -9.468 -14.882 -0.107 1.00 3.11 C ATOM 0 HA PRO A 33 -8.304 -12.455 -1.781 1.00 64.33 H new ATOM 0 HB2 PRO A 33 -10.029 -14.158 -3.291 1.00 73.45 H new ATOM 0 HB3 PRO A 33 -8.420 -14.636 -2.789 1.00 73.45 H new ATOM 0 HG2 PRO A 33 -11.067 -15.248 -1.496 1.00 4.44 H new ATOM 0 HG3 PRO A 33 -9.678 -16.295 -1.714 1.00 4.44 H new ATOM 0 HD2 PRO A 33 -10.152 -15.184 0.686 1.00 3.11 H new ATOM 0 HD3 PRO A 33 -8.504 -15.341 0.112 1.00 3.11 H new ATOM 527 N GLY A 34 -11.524 -12.060 -1.525 1.00 22.44 N ATOM 528 CA GLY A 34 -12.609 -11.165 -1.935 1.00 24.20 C ATOM 529 C GLY A 34 -12.699 -9.878 -1.112 1.00 55.52 C ATOM 530 O GLY A 34 -13.493 -8.985 -1.426 1.00 74.22 O ATOM 0 H GLY A 34 -11.778 -12.741 -0.809 1.00 22.44 H new ATOM 0 HA2 GLY A 34 -12.474 -10.904 -2.985 1.00 24.20 H new ATOM 0 HA3 GLY A 34 -13.556 -11.700 -1.859 1.00 24.20 H new ATOM 534 N TYR A 35 -11.878 -9.768 -0.071 1.00 3.03 N ATOM 535 CA TYR A 35 -11.940 -8.628 0.859 1.00 1.21 C ATOM 536 C TYR A 35 -10.886 -7.548 0.545 1.00 75.35 C ATOM 537 O TYR A 35 -10.560 -6.724 1.401 1.00 21.12 O ATOM 538 CB TYR A 35 -11.761 -9.125 2.300 1.00 52.23 C ATOM 539 CG TYR A 35 -12.896 -10.006 2.798 1.00 73.04 C ATOM 540 CD1 TYR A 35 -12.942 -11.365 2.491 1.00 72.44 C ATOM 541 CD2 TYR A 35 -13.918 -9.477 3.580 1.00 42.32 C ATOM 542 CE1 TYR A 35 -13.970 -12.164 2.951 1.00 34.53 C ATOM 543 CE2 TYR A 35 -14.950 -10.272 4.041 1.00 21.42 C ATOM 544 CZ TYR A 35 -14.972 -11.614 3.724 1.00 22.31 C ATOM 545 OH TYR A 35 -15.993 -12.413 4.187 1.00 0.41 O ATOM 0 H TYR A 35 -11.157 -10.453 0.156 1.00 3.03 H new ATOM 0 HA TYR A 35 -12.920 -8.166 0.738 1.00 1.21 H new ATOM 0 HB2 TYR A 35 -10.826 -9.682 2.367 1.00 52.23 H new ATOM 0 HB3 TYR A 35 -11.667 -8.264 2.961 1.00 52.23 H new ATOM 0 HD1 TYR A 35 -12.162 -11.800 1.884 1.00 72.44 H new ATOM 0 HD2 TYR A 35 -13.905 -8.427 3.831 1.00 42.32 H new ATOM 0 HE1 TYR A 35 -13.990 -13.216 2.707 1.00 34.53 H new ATOM 0 HE2 TYR A 35 -15.735 -9.844 4.647 1.00 21.42 H new ATOM 0 HH TYR A 35 -16.616 -11.873 4.717 1.00 0.41 H new ATOM 555 N ALA A 36 -10.380 -7.538 -0.689 1.00 61.31 N ATOM 556 CA ALA A 36 -9.346 -6.574 -1.107 1.00 53.32 C ATOM 557 C ALA A 36 -9.719 -5.115 -0.763 1.00 40.32 C ATOM 558 O ALA A 36 -8.938 -4.394 -0.134 1.00 14.10 O ATOM 559 CB ALA A 36 -9.082 -6.716 -2.604 1.00 40.43 C ATOM 0 H ALA A 36 -10.667 -8.186 -1.423 1.00 61.31 H new ATOM 0 HA ALA A 36 -8.439 -6.807 -0.548 1.00 53.32 H new ATOM 0 HB1 ALA A 36 -8.317 -6.001 -2.908 1.00 40.43 H new ATOM 0 HB2 ALA A 36 -8.739 -7.728 -2.819 1.00 40.43 H new ATOM 0 HB3 ALA A 36 -10.001 -6.520 -3.156 1.00 40.43 H new ATOM 565 N ARG A 37 -10.915 -4.688 -1.168 1.00 73.13 N ATOM 566 CA ARG A 37 -11.376 -3.316 -0.911 1.00 34.10 C ATOM 567 C ARG A 37 -11.625 -3.071 0.590 1.00 13.32 C ATOM 568 O ARG A 37 -11.390 -1.972 1.101 1.00 64.31 O ATOM 569 CB ARG A 37 -12.649 -3.026 -1.725 1.00 24.44 C ATOM 570 CG ARG A 37 -13.185 -1.605 -1.558 1.00 20.30 C ATOM 571 CD ARG A 37 -14.333 -1.312 -2.522 1.00 3.22 C ATOM 572 NE ARG A 37 -13.902 -1.391 -3.915 1.00 2.53 N ATOM 573 CZ ARG A 37 -14.706 -1.370 -4.944 1.00 12.44 C ATOM 574 NH1 ARG A 37 -15.985 -1.243 -4.787 1.00 12.55 N ATOM 575 NH2 ARG A 37 -14.216 -1.463 -6.136 1.00 60.10 N ATOM 0 H ARG A 37 -11.584 -5.268 -1.675 1.00 73.13 H new ATOM 0 HA ARG A 37 -10.588 -2.632 -1.226 1.00 34.10 H new ATOM 0 HB2 ARG A 37 -12.441 -3.203 -2.780 1.00 24.44 H new ATOM 0 HB3 ARG A 37 -13.425 -3.733 -1.430 1.00 24.44 H new ATOM 0 HG2 ARG A 37 -13.527 -1.464 -0.533 1.00 20.30 H new ATOM 0 HG3 ARG A 37 -12.379 -0.891 -1.726 1.00 20.30 H new ATOM 0 HD2 ARG A 37 -15.142 -2.022 -2.351 1.00 3.22 H new ATOM 0 HD3 ARG A 37 -14.733 -0.318 -2.321 1.00 3.22 H new ATOM 0 HE ARG A 37 -12.901 -1.468 -4.097 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -16.378 -1.158 -3.850 1.00 12.55 H new ATOM 0 HH12 ARG A 37 -16.600 -1.228 -5.601 1.00 12.55 H new ATOM 0 HH21 ARG A 37 -13.208 -1.552 -6.268 1.00 60.10 H new ATOM 0 HH22 ARG A 37 -14.837 -1.447 -6.945 1.00 60.10 H new ATOM 589 N HIS A 38 -12.101 -4.100 1.290 1.00 23.02 N ATOM 590 CA HIS A 38 -12.331 -4.024 2.738 1.00 75.33 C ATOM 591 C HIS A 38 -11.037 -3.697 3.503 1.00 21.42 C ATOM 592 O HIS A 38 -11.054 -2.938 4.477 1.00 14.00 O ATOM 593 CB HIS A 38 -12.916 -5.351 3.232 1.00 23.44 C ATOM 594 CG HIS A 38 -14.138 -5.766 2.475 1.00 33.42 C ATOM 595 ND1 HIS A 38 -14.053 -6.271 1.202 1.00 13.42 N ATOM 596 CD2 HIS A 38 -15.437 -5.724 2.845 1.00 41.24 C ATOM 597 CE1 HIS A 38 -15.291 -6.524 0.829 1.00 20.42 C ATOM 598 NE2 HIS A 38 -16.168 -6.210 1.792 1.00 33.41 N ATOM 0 H HIS A 38 -12.337 -5.003 0.878 1.00 23.02 H new ATOM 0 HA HIS A 38 -13.037 -3.216 2.929 1.00 75.33 H new ATOM 0 HB2 HIS A 38 -12.159 -6.131 3.146 1.00 23.44 H new ATOM 0 HB3 HIS A 38 -13.163 -5.262 4.290 1.00 23.44 H new ATOM 0 HD2 HIS A 38 -15.825 -5.374 3.790 1.00 41.24 H new ATOM 0 HE1 HIS A 38 -15.565 -6.933 -0.132 1.00 20.42 H new ATOM 0 HE2 HIS A 38 -17.182 -6.313 1.750 1.00 33.41 H new ATOM 606 N VAL A 39 -9.921 -4.277 3.057 1.00 64.24 N ATOM 607 CA VAL A 39 -8.608 -3.992 3.647 1.00 33.34 C ATOM 608 C VAL A 39 -8.274 -2.494 3.548 1.00 63.01 C ATOM 609 O VAL A 39 -7.986 -1.839 4.553 1.00 54.51 O ATOM 610 CB VAL A 39 -7.485 -4.809 2.953 1.00 40.31 C ATOM 611 CG1 VAL A 39 -6.119 -4.506 3.570 1.00 13.14 C ATOM 612 CG2 VAL A 39 -7.788 -6.308 3.016 1.00 25.24 C ATOM 0 H VAL A 39 -9.898 -4.948 2.289 1.00 64.24 H new ATOM 0 HA VAL A 39 -8.661 -4.283 4.696 1.00 33.34 H new ATOM 0 HB VAL A 39 -7.452 -4.509 1.905 1.00 40.31 H new ATOM 0 HG11 VAL A 39 -5.353 -5.093 3.063 1.00 13.14 H new ATOM 0 HG12 VAL A 39 -5.897 -3.445 3.458 1.00 13.14 H new ATOM 0 HG13 VAL A 39 -6.133 -4.764 4.629 1.00 13.14 H new ATOM 0 HG21 VAL A 39 -6.988 -6.862 2.524 1.00 25.24 H new ATOM 0 HG22 VAL A 39 -7.859 -6.621 4.058 1.00 25.24 H new ATOM 0 HG23 VAL A 39 -8.733 -6.510 2.511 1.00 25.24 H new ATOM 622 N GLY A 40 -8.332 -1.956 2.330 1.00 2.44 N ATOM 623 CA GLY A 40 -8.048 -0.540 2.114 1.00 21.21 C ATOM 624 C GLY A 40 -8.980 0.384 2.895 1.00 50.35 C ATOM 625 O GLY A 40 -8.538 1.363 3.500 1.00 23.45 O ATOM 0 H GLY A 40 -8.571 -2.475 1.485 1.00 2.44 H new ATOM 0 HA2 GLY A 40 -7.017 -0.334 2.402 1.00 21.21 H new ATOM 0 HA3 GLY A 40 -8.132 -0.317 1.050 1.00 21.21 H new ATOM 629 N LYS A 41 -10.272 0.062 2.896 1.00 50.30 N ATOM 630 CA LYS A 41 -11.270 0.856 3.620 1.00 73.41 C ATOM 631 C LYS A 41 -10.983 0.860 5.134 1.00 11.31 C ATOM 632 O LYS A 41 -11.245 1.847 5.827 1.00 52.10 O ATOM 633 CB LYS A 41 -12.680 0.310 3.338 1.00 24.50 C ATOM 634 CG LYS A 41 -13.815 1.227 3.795 1.00 12.25 C ATOM 635 CD LYS A 41 -13.702 2.618 3.168 1.00 73.44 C ATOM 636 CE LYS A 41 -14.924 3.486 3.453 1.00 44.15 C ATOM 637 NZ LYS A 41 -15.246 3.540 4.901 1.00 41.31 N ATOM 0 H LYS A 41 -10.656 -0.744 2.403 1.00 50.30 H new ATOM 0 HA LYS A 41 -11.212 1.886 3.268 1.00 73.41 H new ATOM 0 HB2 LYS A 41 -12.781 0.133 2.267 1.00 24.50 H new ATOM 0 HB3 LYS A 41 -12.788 -0.656 3.832 1.00 24.50 H new ATOM 0 HG2 LYS A 41 -14.773 0.783 3.526 1.00 12.25 H new ATOM 0 HG3 LYS A 41 -13.798 1.314 4.881 1.00 12.25 H new ATOM 0 HD2 LYS A 41 -12.810 3.114 3.550 1.00 73.44 H new ATOM 0 HD3 LYS A 41 -13.574 2.518 2.090 1.00 73.44 H new ATOM 0 HE2 LYS A 41 -14.745 4.496 3.084 1.00 44.15 H new ATOM 0 HE3 LYS A 41 -15.782 3.095 2.906 1.00 44.15 H new ATOM 0 HZ1 LYS A 41 -15.958 4.279 5.071 1.00 41.31 H new ATOM 0 HZ2 LYS A 41 -15.622 2.620 5.208 1.00 41.31 H new ATOM 0 HZ3 LYS A 41 -14.384 3.759 5.440 1.00 41.31 H new ATOM 651 N ALA A 42 -10.433 -0.248 5.634 1.00 1.14 N ATOM 652 CA ALA A 42 -10.054 -0.362 7.048 1.00 31.43 C ATOM 653 C ALA A 42 -8.822 0.499 7.375 1.00 62.13 C ATOM 654 O ALA A 42 -8.796 1.211 8.385 1.00 4.22 O ATOM 655 CB ALA A 42 -9.791 -1.823 7.408 1.00 51.23 C ATOM 0 H ALA A 42 -10.239 -1.083 5.081 1.00 1.14 H new ATOM 0 HA ALA A 42 -10.886 0.009 7.647 1.00 31.43 H new ATOM 0 HB1 ALA A 42 -9.511 -1.894 8.459 1.00 51.23 H new ATOM 0 HB2 ALA A 42 -10.693 -2.409 7.233 1.00 51.23 H new ATOM 0 HB3 ALA A 42 -8.981 -2.210 6.790 1.00 51.23 H new ATOM 661 N LEU A 43 -7.814 0.449 6.502 1.00 31.33 N ATOM 662 CA LEU A 43 -6.568 1.209 6.695 1.00 40.23 C ATOM 663 C LEU A 43 -6.813 2.727 6.754 1.00 74.34 C ATOM 664 O LEU A 43 -5.991 3.479 7.280 1.00 33.12 O ATOM 665 CB LEU A 43 -5.569 0.883 5.574 1.00 12.42 C ATOM 666 CG LEU A 43 -5.133 -0.589 5.487 1.00 65.30 C ATOM 667 CD1 LEU A 43 -4.158 -0.799 4.334 1.00 71.41 C ATOM 668 CD2 LEU A 43 -4.516 -1.053 6.803 1.00 32.30 C ATOM 0 H LEU A 43 -7.832 -0.111 5.650 1.00 31.33 H new ATOM 0 HA LEU A 43 -6.152 0.907 7.656 1.00 40.23 H new ATOM 0 HB2 LEU A 43 -6.012 1.170 4.621 1.00 12.42 H new ATOM 0 HB3 LEU A 43 -4.681 1.500 5.711 1.00 12.42 H new ATOM 0 HG LEU A 43 -6.021 -1.191 5.297 1.00 65.30 H new ATOM 0 HD11 LEU A 43 -3.864 -1.848 4.293 1.00 71.41 H new ATOM 0 HD12 LEU A 43 -4.638 -0.520 3.396 1.00 71.41 H new ATOM 0 HD13 LEU A 43 -3.274 -0.180 4.488 1.00 71.41 H new ATOM 0 HD21 LEU A 43 -4.216 -2.097 6.716 1.00 32.30 H new ATOM 0 HD22 LEU A 43 -3.642 -0.442 7.031 1.00 32.30 H new ATOM 0 HD23 LEU A 43 -5.248 -0.952 7.604 1.00 32.30 H new ATOM 680 N GLY A 44 -7.960 3.174 6.239 1.00 53.12 N ATOM 681 CA GLY A 44 -8.304 4.597 6.267 1.00 55.30 C ATOM 682 C GLY A 44 -8.612 5.140 7.670 1.00 71.21 C ATOM 683 O GLY A 44 -9.145 6.243 7.812 1.00 62.44 O ATOM 0 H GLY A 44 -8.661 2.577 5.801 1.00 53.12 H new ATOM 0 HA2 GLY A 44 -7.479 5.168 5.841 1.00 55.30 H new ATOM 0 HA3 GLY A 44 -9.170 4.763 5.627 1.00 55.30 H new ATOM 687 N ASN A 45 -8.290 4.362 8.706 1.00 43.15 N ATOM 688 CA ASN A 45 -8.456 4.796 10.101 1.00 51.35 C ATOM 689 C ASN A 45 -7.090 5.107 10.752 1.00 35.04 C ATOM 690 O ASN A 45 -7.017 5.533 11.905 1.00 24.11 O ATOM 691 CB ASN A 45 -9.189 3.699 10.894 1.00 54.41 C ATOM 692 CG ASN A 45 -9.555 4.120 12.310 1.00 73.43 C ATOM 693 OD1 ASN A 45 -9.886 5.384 12.494 1.00 22.40 O flip ATOM 694 ND2 ASN A 45 -9.562 3.309 13.230 1.00 61.14 N flip ATOM 0 H ASN A 45 -7.910 3.421 8.607 1.00 43.15 H new ATOM 0 HA ASN A 45 -9.047 5.712 10.115 1.00 51.35 H new ATOM 0 HB2 ASN A 45 -10.097 3.420 10.360 1.00 54.41 H new ATOM 0 HB3 ASN A 45 -8.559 2.810 10.938 1.00 54.41 H new ATOM 0 HD21 ASN A 45 -9.301 2.338 13.056 1.00 61.14 H new ATOM 0 HD22 ASN A 45 -9.829 3.605 14.169 1.00 61.14 H new ATOM 701 N LEU A 46 -6.010 4.906 9.997 1.00 63.54 N ATOM 702 CA LEU A 46 -4.647 5.082 10.518 1.00 44.51 C ATOM 703 C LEU A 46 -4.145 6.531 10.346 1.00 20.43 C ATOM 704 O LEU A 46 -4.472 7.197 9.363 1.00 53.31 O ATOM 705 CB LEU A 46 -3.692 4.118 9.805 1.00 21.44 C ATOM 706 CG LEU A 46 -4.048 2.626 9.925 1.00 62.14 C ATOM 707 CD1 LEU A 46 -3.102 1.777 9.084 1.00 20.52 C ATOM 708 CD2 LEU A 46 -4.017 2.179 11.388 1.00 32.14 C ATOM 0 H LEU A 46 -6.049 4.620 9.019 1.00 63.54 H new ATOM 0 HA LEU A 46 -4.671 4.864 11.586 1.00 44.51 H new ATOM 0 HB2 LEU A 46 -3.659 4.382 8.748 1.00 21.44 H new ATOM 0 HB3 LEU A 46 -2.688 4.268 10.203 1.00 21.44 H new ATOM 0 HG LEU A 46 -5.060 2.486 9.546 1.00 62.14 H new ATOM 0 HD11 LEU A 46 -3.371 0.725 9.183 1.00 20.52 H new ATOM 0 HD12 LEU A 46 -3.179 2.074 8.038 1.00 20.52 H new ATOM 0 HD13 LEU A 46 -2.078 1.923 9.428 1.00 20.52 H new ATOM 0 HD21 LEU A 46 -4.272 1.121 11.451 1.00 32.14 H new ATOM 0 HD22 LEU A 46 -3.018 2.337 11.796 1.00 32.14 H new ATOM 0 HD23 LEU A 46 -4.739 2.760 11.961 1.00 32.14 H new ATOM 720 N PRO A 47 -3.351 7.038 11.311 1.00 33.03 N ATOM 721 CA PRO A 47 -2.740 8.377 11.221 1.00 64.23 C ATOM 722 C PRO A 47 -1.507 8.425 10.293 1.00 61.32 C ATOM 723 O PRO A 47 -1.044 7.397 9.801 1.00 24.24 O ATOM 724 CB PRO A 47 -2.330 8.656 12.670 1.00 31.52 C ATOM 725 CG PRO A 47 -2.032 7.307 13.234 1.00 12.51 C ATOM 726 CD PRO A 47 -3.008 6.360 12.581 1.00 14.23 C ATOM 0 HA PRO A 47 -3.426 9.108 10.794 1.00 64.23 H new ATOM 0 HB2 PRO A 47 -1.459 9.309 12.718 1.00 31.52 H new ATOM 0 HB3 PRO A 47 -3.130 9.150 13.222 1.00 31.52 H new ATOM 0 HG2 PRO A 47 -1.003 7.014 13.023 1.00 12.51 H new ATOM 0 HG3 PRO A 47 -2.149 7.302 14.318 1.00 12.51 H new ATOM 0 HD2 PRO A 47 -2.561 5.381 12.405 1.00 14.23 H new ATOM 0 HD3 PRO A 47 -3.890 6.201 13.202 1.00 14.23 H new ATOM 734 N GLU A 48 -0.960 9.626 10.085 1.00 1.44 N ATOM 735 CA GLU A 48 0.185 9.814 9.176 1.00 0.45 C ATOM 736 C GLU A 48 1.475 9.172 9.727 1.00 23.10 C ATOM 737 O GLU A 48 2.324 8.702 8.965 1.00 25.34 O ATOM 738 CB GLU A 48 0.422 11.312 8.897 1.00 62.44 C ATOM 739 CG GLU A 48 0.991 12.107 10.075 1.00 62.04 C ATOM 740 CD GLU A 48 0.076 12.132 11.291 1.00 44.14 C ATOM 741 OE1 GLU A 48 -0.953 12.837 11.249 1.00 30.21 O ATOM 742 OE2 GLU A 48 0.380 11.445 12.290 1.00 21.35 O ATOM 0 H GLU A 48 -1.287 10.483 10.530 1.00 1.44 H new ATOM 0 HA GLU A 48 -0.066 9.310 8.242 1.00 0.45 H new ATOM 0 HB2 GLU A 48 1.104 11.405 8.052 1.00 62.44 H new ATOM 0 HB3 GLU A 48 -0.523 11.764 8.596 1.00 62.44 H new ATOM 0 HG2 GLU A 48 1.951 11.678 10.362 1.00 62.04 H new ATOM 0 HG3 GLU A 48 1.182 13.131 9.753 1.00 62.04 H new ATOM 749 N GLY A 49 1.626 9.174 11.049 1.00 63.53 N ATOM 750 CA GLY A 49 2.802 8.579 11.677 1.00 72.53 C ATOM 751 C GLY A 49 2.494 7.279 12.406 1.00 3.43 C ATOM 752 O GLY A 49 2.907 7.080 13.551 1.00 0.45 O ATOM 0 H GLY A 49 0.954 9.578 11.702 1.00 63.53 H new ATOM 0 HA2 GLY A 49 3.558 8.391 10.915 1.00 72.53 H new ATOM 0 HA3 GLY A 49 3.230 9.292 12.382 1.00 72.53 H new ATOM 756 N SER A 50 1.769 6.391 11.740 1.00 63.31 N ATOM 757 CA SER A 50 1.371 5.108 12.332 1.00 63.34 C ATOM 758 C SER A 50 2.511 4.082 12.294 1.00 72.11 C ATOM 759 O SER A 50 3.404 4.155 11.445 1.00 33.21 O ATOM 760 CB SER A 50 0.160 4.541 11.585 1.00 42.22 C ATOM 761 OG SER A 50 0.432 4.405 10.200 1.00 74.24 O ATOM 0 H SER A 50 1.440 6.531 10.785 1.00 63.31 H new ATOM 0 HA SER A 50 1.116 5.296 13.375 1.00 63.34 H new ATOM 0 HB2 SER A 50 -0.107 3.571 12.003 1.00 42.22 H new ATOM 0 HB3 SER A 50 -0.699 5.197 11.727 1.00 42.22 H new ATOM 0 HG SER A 50 0.519 3.455 9.976 1.00 74.24 H new ATOM 767 N LYS A 51 2.477 3.127 13.225 1.00 1.32 N ATOM 768 CA LYS A 51 3.438 2.016 13.236 1.00 64.21 C ATOM 769 C LYS A 51 3.196 1.091 12.033 1.00 3.12 C ATOM 770 O LYS A 51 4.135 0.652 11.362 1.00 74.10 O ATOM 771 CB LYS A 51 3.315 1.225 14.549 1.00 1.14 C ATOM 772 CG LYS A 51 4.295 0.059 14.673 1.00 43.42 C ATOM 773 CD LYS A 51 4.116 -0.702 15.987 1.00 4.34 C ATOM 774 CE LYS A 51 5.116 -1.846 16.120 1.00 0.30 C ATOM 775 NZ LYS A 51 4.942 -2.593 17.390 1.00 72.14 N ATOM 0 H LYS A 51 1.795 3.098 13.983 1.00 1.32 H new ATOM 0 HA LYS A 51 4.447 2.423 13.164 1.00 64.21 H new ATOM 0 HB2 LYS A 51 3.470 1.906 15.386 1.00 1.14 H new ATOM 0 HB3 LYS A 51 2.298 0.841 14.635 1.00 1.14 H new ATOM 0 HG2 LYS A 51 4.153 -0.625 13.836 1.00 43.42 H new ATOM 0 HG3 LYS A 51 5.316 0.435 14.608 1.00 43.42 H new ATOM 0 HD2 LYS A 51 4.237 -0.015 16.824 1.00 4.34 H new ATOM 0 HD3 LYS A 51 3.102 -1.097 16.043 1.00 4.34 H new ATOM 0 HE2 LYS A 51 4.999 -2.529 15.279 1.00 0.30 H new ATOM 0 HE3 LYS A 51 6.130 -1.449 16.069 1.00 0.30 H new ATOM 0 HZ1 LYS A 51 5.641 -3.361 17.440 1.00 72.14 H new ATOM 0 HZ2 LYS A 51 5.079 -1.948 18.194 1.00 72.14 H new ATOM 0 HZ3 LYS A 51 3.983 -2.995 17.428 1.00 72.14 H new ATOM 789 N LEU A 52 1.924 0.807 11.774 1.00 13.12 N ATOM 790 CA LEU A 52 1.512 0.035 10.600 1.00 63.21 C ATOM 791 C LEU A 52 1.565 0.909 9.334 1.00 54.41 C ATOM 792 O LEU A 52 0.747 1.819 9.169 1.00 23.51 O ATOM 793 CB LEU A 52 0.086 -0.492 10.809 1.00 23.42 C ATOM 794 CG LEU A 52 -0.488 -1.323 9.649 1.00 2.24 C ATOM 795 CD1 LEU A 52 0.279 -2.630 9.483 1.00 54.44 C ATOM 796 CD2 LEU A 52 -1.974 -1.590 9.864 1.00 31.33 C ATOM 0 H LEU A 52 1.149 1.103 12.368 1.00 13.12 H new ATOM 0 HA LEU A 52 2.196 -0.804 10.471 1.00 63.21 H new ATOM 0 HB2 LEU A 52 0.071 -1.102 11.712 1.00 23.42 H new ATOM 0 HB3 LEU A 52 -0.574 0.357 10.987 1.00 23.42 H new ATOM 0 HG LEU A 52 -0.373 -0.748 8.730 1.00 2.24 H new ATOM 0 HD11 LEU A 52 -0.146 -3.199 8.656 1.00 54.44 H new ATOM 0 HD12 LEU A 52 1.326 -2.413 9.273 1.00 54.44 H new ATOM 0 HD13 LEU A 52 0.206 -3.214 10.401 1.00 54.44 H new ATOM 0 HD21 LEU A 52 -2.362 -2.179 9.033 1.00 31.33 H new ATOM 0 HD22 LEU A 52 -2.114 -2.140 10.795 1.00 31.33 H new ATOM 0 HD23 LEU A 52 -2.510 -0.642 9.918 1.00 31.33 H new ATOM 808 N PRO A 53 2.520 0.658 8.417 1.00 55.42 N ATOM 809 CA PRO A 53 2.696 1.512 7.238 1.00 72.13 C ATOM 810 C PRO A 53 1.650 1.256 6.138 1.00 4.05 C ATOM 811 O PRO A 53 1.811 0.378 5.290 1.00 24.25 O ATOM 812 CB PRO A 53 4.105 1.139 6.762 1.00 44.51 C ATOM 813 CG PRO A 53 4.283 -0.286 7.180 1.00 41.21 C ATOM 814 CD PRO A 53 3.484 -0.462 8.449 1.00 52.43 C ATOM 0 HA PRO A 53 2.569 2.569 7.473 1.00 72.13 H new ATOM 0 HB2 PRO A 53 4.200 1.249 5.682 1.00 44.51 H new ATOM 0 HB3 PRO A 53 4.859 1.782 7.216 1.00 44.51 H new ATOM 0 HG2 PRO A 53 3.932 -0.965 6.403 1.00 41.21 H new ATOM 0 HG3 PRO A 53 5.336 -0.512 7.350 1.00 41.21 H new ATOM 0 HD2 PRO A 53 2.976 -1.426 8.472 1.00 52.43 H new ATOM 0 HD3 PRO A 53 4.121 -0.416 9.332 1.00 52.43 H new ATOM 822 N TRP A 54 0.588 2.058 6.149 1.00 5.42 N ATOM 823 CA TRP A 54 -0.472 1.978 5.131 1.00 35.45 C ATOM 824 C TRP A 54 -0.011 2.548 3.780 1.00 3.31 C ATOM 825 O TRP A 54 -0.449 2.100 2.723 1.00 24.41 O ATOM 826 CB TRP A 54 -1.725 2.725 5.617 1.00 5.11 C ATOM 827 CG TRP A 54 -1.438 4.108 6.133 1.00 22.52 C ATOM 828 CD1 TRP A 54 -1.124 4.448 7.417 1.00 53.31 C ATOM 829 CD2 TRP A 54 -1.434 5.334 5.385 1.00 23.21 C ATOM 830 NE1 TRP A 54 -0.925 5.798 7.514 1.00 41.14 N ATOM 831 CE2 TRP A 54 -1.107 6.368 6.284 1.00 22.54 C ATOM 832 CE3 TRP A 54 -1.671 5.659 4.045 1.00 31.31 C ATOM 833 CZ2 TRP A 54 -1.017 7.700 5.889 1.00 44.32 C ATOM 834 CZ3 TRP A 54 -1.578 6.983 3.652 1.00 45.24 C ATOM 835 CH2 TRP A 54 -1.250 7.988 4.571 1.00 65.25 C ATOM 0 H TRP A 54 0.433 2.778 6.855 1.00 5.42 H new ATOM 0 HA TRP A 54 -0.709 0.925 4.982 1.00 35.45 H new ATOM 0 HB2 TRP A 54 -2.439 2.793 4.796 1.00 5.11 H new ATOM 0 HB3 TRP A 54 -2.202 2.143 6.406 1.00 5.11 H new ATOM 0 HD1 TRP A 54 -1.044 3.751 8.238 1.00 53.31 H new ATOM 0 HE1 TRP A 54 -0.680 6.300 8.368 1.00 41.14 H new ATOM 0 HE3 TRP A 54 -1.922 4.890 3.329 1.00 31.31 H new ATOM 0 HZ2 TRP A 54 -0.772 8.478 6.597 1.00 44.32 H new ATOM 0 HZ3 TRP A 54 -1.761 7.245 2.620 1.00 45.24 H new ATOM 0 HH2 TRP A 54 -1.179 9.011 4.233 1.00 65.25 H new ATOM 846 N PHE A 55 0.901 3.517 3.831 1.00 43.35 N ATOM 847 CA PHE A 55 1.378 4.215 2.628 1.00 0.54 C ATOM 848 C PHE A 55 2.129 3.287 1.652 1.00 4.21 C ATOM 849 O PHE A 55 2.519 3.710 0.564 1.00 35.23 O ATOM 850 CB PHE A 55 2.276 5.401 3.031 1.00 42.22 C ATOM 851 CG PHE A 55 3.503 5.021 3.831 1.00 5.22 C ATOM 852 CD1 PHE A 55 3.453 4.952 5.217 1.00 23.32 C ATOM 853 CD2 PHE A 55 4.709 4.747 3.195 1.00 10.41 C ATOM 854 CE1 PHE A 55 4.576 4.616 5.950 1.00 55.02 C ATOM 855 CE2 PHE A 55 5.834 4.411 3.926 1.00 52.13 C ATOM 856 CZ PHE A 55 5.767 4.346 5.305 1.00 21.14 C ATOM 0 H PHE A 55 1.330 3.842 4.697 1.00 43.35 H new ATOM 0 HA PHE A 55 0.496 4.578 2.100 1.00 0.54 H new ATOM 0 HB2 PHE A 55 2.595 5.921 2.128 1.00 42.22 H new ATOM 0 HB3 PHE A 55 1.683 6.107 3.613 1.00 42.22 H new ATOM 0 HD1 PHE A 55 2.526 5.163 5.729 1.00 23.32 H new ATOM 0 HD2 PHE A 55 4.768 4.797 2.118 1.00 10.41 H new ATOM 0 HE1 PHE A 55 4.522 4.565 7.027 1.00 55.02 H new ATOM 0 HE2 PHE A 55 6.764 4.200 3.420 1.00 52.13 H new ATOM 0 HZ PHE A 55 6.645 4.084 5.877 1.00 21.14 H new ATOM 866 N ARG A 56 2.331 2.028 2.040 1.00 63.24 N ATOM 867 CA ARG A 56 3.067 1.072 1.204 1.00 2.25 C ATOM 868 C ARG A 56 2.120 0.137 0.433 1.00 42.22 C ATOM 869 O ARG A 56 2.565 -0.692 -0.362 1.00 70.35 O ATOM 870 CB ARG A 56 4.016 0.237 2.076 1.00 70.51 C ATOM 871 CG ARG A 56 4.796 1.063 3.095 1.00 23.01 C ATOM 872 CD ARG A 56 5.924 0.264 3.744 1.00 73.01 C ATOM 873 NE ARG A 56 7.022 0.033 2.809 1.00 14.11 N ATOM 874 CZ ARG A 56 8.191 0.596 2.908 1.00 61.22 C ATOM 875 NH1 ARG A 56 8.492 1.331 3.931 1.00 31.21 N ATOM 876 NH2 ARG A 56 9.074 0.396 1.995 1.00 40.34 N ATOM 0 H ARG A 56 1.998 1.645 2.924 1.00 63.24 H new ATOM 0 HA ARG A 56 3.639 1.646 0.475 1.00 2.25 H new ATOM 0 HB2 ARG A 56 3.438 -0.523 2.603 1.00 70.51 H new ATOM 0 HB3 ARG A 56 4.720 -0.288 1.431 1.00 70.51 H new ATOM 0 HG2 ARG A 56 5.212 1.943 2.605 1.00 23.01 H new ATOM 0 HG3 ARG A 56 4.115 1.421 3.868 1.00 23.01 H new ATOM 0 HD2 ARG A 56 6.295 0.800 4.618 1.00 73.01 H new ATOM 0 HD3 ARG A 56 5.538 -0.692 4.097 1.00 73.01 H new ATOM 0 HE ARG A 56 6.863 -0.608 2.032 1.00 14.11 H new ATOM 0 HH11 ARG A 56 7.808 1.475 4.674 1.00 31.21 H new ATOM 0 HH12 ARG A 56 9.413 1.765 3.994 1.00 31.21 H new ATOM 0 HH21 ARG A 56 8.857 -0.202 1.198 1.00 40.34 H new ATOM 0 HH22 ARG A 56 9.992 0.835 2.068 1.00 40.34 H new ATOM 890 N VAL A 57 0.816 0.267 0.673 1.00 22.44 N ATOM 891 CA VAL A 57 -0.176 -0.607 0.035 1.00 23.24 C ATOM 892 C VAL A 57 -1.173 0.200 -0.816 1.00 32.03 C ATOM 893 O VAL A 57 -2.038 0.904 -0.290 1.00 53.54 O ATOM 894 CB VAL A 57 -0.951 -1.443 1.086 1.00 42.10 C ATOM 895 CG1 VAL A 57 -1.862 -2.461 0.404 1.00 1.54 C ATOM 896 CG2 VAL A 57 0.014 -2.138 2.048 1.00 32.34 C ATOM 0 H VAL A 57 0.420 0.966 1.302 1.00 22.44 H new ATOM 0 HA VAL A 57 0.374 -1.284 -0.618 1.00 23.24 H new ATOM 0 HB VAL A 57 -1.575 -0.763 1.665 1.00 42.10 H new ATOM 0 HG11 VAL A 57 -2.396 -3.036 1.161 1.00 1.54 H new ATOM 0 HG12 VAL A 57 -2.580 -1.940 -0.229 1.00 1.54 H new ATOM 0 HG13 VAL A 57 -1.261 -3.135 -0.207 1.00 1.54 H new ATOM 0 HG21 VAL A 57 -0.553 -2.718 2.776 1.00 32.34 H new ATOM 0 HG22 VAL A 57 0.671 -2.802 1.487 1.00 32.34 H new ATOM 0 HG23 VAL A 57 0.612 -1.389 2.567 1.00 32.34 H new ATOM 906 N ILE A 58 -1.045 0.086 -2.137 1.00 24.42 N ATOM 907 CA ILE A 58 -1.902 0.822 -3.078 1.00 15.11 C ATOM 908 C ILE A 58 -2.919 -0.108 -3.768 1.00 53.31 C ATOM 909 O ILE A 58 -3.075 -1.271 -3.385 1.00 62.53 O ATOM 910 CB ILE A 58 -1.049 1.537 -4.154 1.00 12.34 C ATOM 911 CG1 ILE A 58 -0.198 0.521 -4.937 1.00 24.40 C ATOM 912 CG2 ILE A 58 -0.167 2.608 -3.512 1.00 62.01 C ATOM 913 CD1 ILE A 58 0.653 1.144 -6.026 1.00 42.05 C ATOM 0 H ILE A 58 -0.352 -0.512 -2.587 1.00 24.42 H new ATOM 0 HA ILE A 58 -2.450 1.564 -2.497 1.00 15.11 H new ATOM 0 HB ILE A 58 -1.721 2.027 -4.858 1.00 12.34 H new ATOM 0 HG12 ILE A 58 0.451 -0.008 -4.240 1.00 24.40 H new ATOM 0 HG13 ILE A 58 -0.858 -0.222 -5.385 1.00 24.40 H new ATOM 0 HG21 ILE A 58 0.426 3.101 -4.282 1.00 62.01 H new ATOM 0 HG22 ILE A 58 -0.795 3.345 -3.011 1.00 62.01 H new ATOM 0 HG23 ILE A 58 0.498 2.143 -2.784 1.00 62.01 H new ATOM 0 HD11 ILE A 58 1.223 0.365 -6.532 1.00 42.05 H new ATOM 0 HD12 ILE A 58 0.010 1.649 -6.746 1.00 42.05 H new ATOM 0 HD13 ILE A 58 1.339 1.866 -5.583 1.00 42.05 H new ATOM 925 N ASN A 59 -3.618 0.401 -4.787 1.00 54.24 N ATOM 926 CA ASN A 59 -4.618 -0.404 -5.499 1.00 30.03 C ATOM 927 C ASN A 59 -3.982 -1.227 -6.635 1.00 50.11 C ATOM 928 O ASN A 59 -2.913 -0.886 -7.143 1.00 63.21 O ATOM 929 CB ASN A 59 -5.774 0.475 -6.015 1.00 3.54 C ATOM 930 CG ASN A 59 -5.333 1.701 -6.806 1.00 23.10 C ATOM 931 OD1 ASN A 59 -4.288 1.587 -7.601 1.00 33.25 O flip ATOM 932 ND2 ASN A 59 -5.956 2.752 -6.723 1.00 42.12 N flip ATOM 0 H ASN A 59 -3.513 1.354 -5.135 1.00 54.24 H new ATOM 0 HA ASN A 59 -5.036 -1.114 -4.785 1.00 30.03 H new ATOM 0 HB2 ASN A 59 -6.423 -0.134 -6.645 1.00 3.54 H new ATOM 0 HB3 ASN A 59 -6.372 0.803 -5.164 1.00 3.54 H new ATOM 0 HD21 ASN A 59 -6.762 2.819 -6.102 1.00 42.12 H new ATOM 0 HD22 ASN A 59 -5.669 3.560 -7.275 1.00 42.12 H new ATOM 939 N SER A 60 -4.671 -2.292 -7.037 1.00 43.34 N ATOM 940 CA SER A 60 -4.137 -3.289 -7.983 1.00 42.53 C ATOM 941 C SER A 60 -3.597 -2.681 -9.292 1.00 74.21 C ATOM 942 O SER A 60 -2.702 -3.248 -9.919 1.00 33.52 O ATOM 943 CB SER A 60 -5.226 -4.316 -8.308 1.00 34.52 C ATOM 944 OG SER A 60 -5.797 -4.843 -7.121 1.00 23.33 O ATOM 0 H SER A 60 -5.619 -2.495 -6.719 1.00 43.34 H new ATOM 0 HA SER A 60 -3.287 -3.760 -7.489 1.00 42.53 H new ATOM 0 HB2 SER A 60 -6.003 -3.849 -8.913 1.00 34.52 H new ATOM 0 HB3 SER A 60 -4.802 -5.125 -8.903 1.00 34.52 H new ATOM 0 HG SER A 60 -6.491 -5.495 -7.353 1.00 23.33 H new ATOM 950 N GLN A 61 -4.136 -1.535 -9.707 1.00 43.34 N ATOM 951 CA GLN A 61 -3.736 -0.902 -10.978 1.00 25.03 C ATOM 952 C GLN A 61 -2.542 0.066 -10.823 1.00 53.31 C ATOM 953 O GLN A 61 -2.305 0.909 -11.691 1.00 34.21 O ATOM 954 CB GLN A 61 -4.942 -0.176 -11.594 1.00 34.51 C ATOM 955 CG GLN A 61 -6.055 -1.123 -12.034 1.00 73.14 C ATOM 956 CD GLN A 61 -7.295 -0.400 -12.532 1.00 72.12 C ATOM 957 OE1 GLN A 61 -7.223 0.708 -13.054 1.00 71.05 O ATOM 958 NE2 GLN A 61 -8.443 -1.024 -12.378 1.00 43.40 N ATOM 0 H GLN A 61 -4.849 -1.022 -9.188 1.00 43.34 H new ATOM 0 HA GLN A 61 -3.400 -1.697 -11.644 1.00 25.03 H new ATOM 0 HB2 GLN A 61 -5.342 0.531 -10.867 1.00 34.51 H new ATOM 0 HB3 GLN A 61 -4.608 0.405 -12.453 1.00 34.51 H new ATOM 0 HG2 GLN A 61 -5.679 -1.772 -12.825 1.00 73.14 H new ATOM 0 HG3 GLN A 61 -6.329 -1.765 -11.197 1.00 73.14 H new ATOM 0 HE21 GLN A 61 -8.468 -1.945 -11.940 1.00 43.40 H new ATOM 0 HE22 GLN A 61 -9.308 -0.587 -12.697 1.00 43.40 H new ATOM 967 N GLY A 62 -1.788 -0.065 -9.730 1.00 53.33 N ATOM 968 CA GLY A 62 -0.556 0.714 -9.556 1.00 21.32 C ATOM 969 C GLY A 62 -0.770 2.223 -9.430 1.00 13.00 C ATOM 970 O GLY A 62 -0.103 3.012 -10.098 1.00 64.24 O ATOM 0 H GLY A 62 -2.004 -0.696 -8.958 1.00 53.33 H new ATOM 0 HA2 GLY A 62 -0.039 0.358 -8.665 1.00 21.32 H new ATOM 0 HA3 GLY A 62 0.102 0.523 -10.404 1.00 21.32 H new ATOM 974 N LYS A 63 -1.689 2.630 -8.561 1.00 42.21 N ATOM 975 CA LYS A 63 -1.962 4.057 -8.320 1.00 32.32 C ATOM 976 C LYS A 63 -2.282 4.306 -6.845 1.00 31.54 C ATOM 977 O LYS A 63 -2.649 3.381 -6.117 1.00 63.21 O ATOM 978 CB LYS A 63 -3.135 4.550 -9.184 1.00 73.01 C ATOM 979 CG LYS A 63 -2.854 4.532 -10.680 1.00 3.13 C ATOM 980 CD LYS A 63 -4.103 4.849 -11.498 1.00 74.12 C ATOM 981 CE LYS A 63 -3.824 4.804 -12.995 1.00 73.22 C ATOM 982 NZ LYS A 63 -5.057 5.019 -13.795 1.00 71.41 N ATOM 0 H LYS A 63 -2.263 1.995 -8.006 1.00 42.21 H new ATOM 0 HA LYS A 63 -1.064 4.611 -8.593 1.00 32.32 H new ATOM 0 HB2 LYS A 63 -4.008 3.929 -8.981 1.00 73.01 H new ATOM 0 HB3 LYS A 63 -3.391 5.567 -8.885 1.00 73.01 H new ATOM 0 HG2 LYS A 63 -2.075 5.258 -10.912 1.00 3.13 H new ATOM 0 HG3 LYS A 63 -2.472 3.552 -10.966 1.00 3.13 H new ATOM 0 HD2 LYS A 63 -4.889 4.135 -11.253 1.00 74.12 H new ATOM 0 HD3 LYS A 63 -4.474 5.837 -11.227 1.00 74.12 H new ATOM 0 HE2 LYS A 63 -3.088 5.567 -13.250 1.00 73.22 H new ATOM 0 HE3 LYS A 63 -3.387 3.840 -13.254 1.00 73.22 H new ATOM 0 HZ1 LYS A 63 -4.825 4.981 -14.808 1.00 71.41 H new ATOM 0 HZ2 LYS A 63 -5.750 4.277 -13.571 1.00 71.41 H new ATOM 0 HZ3 LYS A 63 -5.461 5.950 -13.567 1.00 71.41 H new ATOM 996 N ILE A 64 -2.151 5.553 -6.414 1.00 33.22 N ATOM 997 CA ILE A 64 -2.447 5.916 -5.027 1.00 23.22 C ATOM 998 C ILE A 64 -3.960 5.875 -4.760 1.00 62.32 C ATOM 999 O ILE A 64 -4.734 6.652 -5.331 1.00 50.21 O ATOM 1000 CB ILE A 64 -1.888 7.317 -4.666 1.00 14.31 C ATOM 1001 CG1 ILE A 64 -0.361 7.350 -4.867 1.00 73.52 C ATOM 1002 CG2 ILE A 64 -2.251 7.688 -3.225 1.00 54.30 C ATOM 1003 CD1 ILE A 64 0.282 8.683 -4.528 1.00 73.32 C ATOM 0 H ILE A 64 -1.843 6.330 -6.999 1.00 33.22 H new ATOM 0 HA ILE A 64 -1.953 5.180 -4.393 1.00 23.22 H new ATOM 0 HB ILE A 64 -2.341 8.053 -5.330 1.00 14.31 H new ATOM 0 HG12 ILE A 64 0.092 6.573 -4.251 1.00 73.52 H new ATOM 0 HG13 ILE A 64 -0.137 7.105 -5.905 1.00 73.52 H new ATOM 0 HG21 ILE A 64 -1.850 8.674 -2.991 1.00 54.30 H new ATOM 0 HG22 ILE A 64 -3.335 7.702 -3.115 1.00 54.30 H new ATOM 0 HG23 ILE A 64 -1.826 6.952 -2.542 1.00 54.30 H new ATOM 0 HD11 ILE A 64 1.357 8.622 -4.697 1.00 73.32 H new ATOM 0 HD12 ILE A 64 -0.141 9.463 -5.162 1.00 73.32 H new ATOM 0 HD13 ILE A 64 0.092 8.923 -3.482 1.00 73.32 H new ATOM 1015 N SER A 65 -4.373 4.953 -3.896 1.00 25.24 N ATOM 1016 CA SER A 65 -5.787 4.786 -3.545 1.00 4.44 C ATOM 1017 C SER A 65 -6.307 5.995 -2.763 1.00 21.43 C ATOM 1018 O SER A 65 -7.210 6.702 -3.218 1.00 15.14 O ATOM 1019 CB SER A 65 -5.975 3.513 -2.716 1.00 73.14 C ATOM 1020 OG SER A 65 -5.158 3.542 -1.559 1.00 31.12 O ATOM 0 H SER A 65 -3.746 4.304 -3.421 1.00 25.24 H new ATOM 0 HA SER A 65 -6.358 4.704 -4.470 1.00 4.44 H new ATOM 0 HB2 SER A 65 -7.021 3.413 -2.426 1.00 73.14 H new ATOM 0 HB3 SER A 65 -5.727 2.640 -3.320 1.00 73.14 H new ATOM 0 HG SER A 65 -5.202 2.674 -1.106 1.00 31.12 H new ATOM 1026 N LEU A 66 -5.733 6.229 -1.587 1.00 70.12 N ATOM 1027 CA LEU A 66 -6.095 7.386 -0.766 1.00 64.54 C ATOM 1028 C LEU A 66 -5.658 8.691 -1.448 1.00 54.32 C ATOM 1029 O LEU A 66 -4.474 9.022 -1.490 1.00 61.14 O ATOM 1030 CB LEU A 66 -5.456 7.273 0.625 1.00 63.21 C ATOM 1031 CG LEU A 66 -5.799 5.994 1.406 1.00 62.53 C ATOM 1032 CD1 LEU A 66 -5.154 6.023 2.789 1.00 61.50 C ATOM 1033 CD2 LEU A 66 -7.312 5.810 1.518 1.00 71.12 C ATOM 0 H LEU A 66 -5.013 5.633 -1.178 1.00 70.12 H new ATOM 0 HA LEU A 66 -7.179 7.402 -0.653 1.00 64.54 H new ATOM 0 HB2 LEU A 66 -4.373 7.332 0.515 1.00 63.21 H new ATOM 0 HB3 LEU A 66 -5.763 8.134 1.218 1.00 63.21 H new ATOM 0 HG LEU A 66 -5.398 5.142 0.857 1.00 62.53 H new ATOM 0 HD11 LEU A 66 -5.407 5.110 3.328 1.00 61.50 H new ATOM 0 HD12 LEU A 66 -4.071 6.094 2.684 1.00 61.50 H new ATOM 0 HD13 LEU A 66 -5.522 6.886 3.344 1.00 61.50 H new ATOM 0 HD21 LEU A 66 -7.527 4.898 2.075 1.00 71.12 H new ATOM 0 HD22 LEU A 66 -7.745 6.664 2.039 1.00 71.12 H new ATOM 0 HD23 LEU A 66 -7.744 5.736 0.520 1.00 71.12 H new ATOM 1045 N LYS A 67 -6.622 9.423 -1.990 1.00 34.41 N ATOM 1046 CA LYS A 67 -6.334 10.650 -2.742 1.00 23.55 C ATOM 1047 C LYS A 67 -6.877 11.903 -2.041 1.00 22.33 C ATOM 1048 O LYS A 67 -7.633 11.816 -1.074 1.00 11.30 O ATOM 1049 CB LYS A 67 -6.863 10.532 -4.180 1.00 40.43 C ATOM 1050 CG LYS A 67 -8.226 9.854 -4.292 1.00 53.32 C ATOM 1051 CD LYS A 67 -8.602 9.556 -5.743 1.00 54.23 C ATOM 1052 CE LYS A 67 -7.526 8.738 -6.454 1.00 33.02 C ATOM 1053 NZ LYS A 67 -7.236 7.456 -5.757 1.00 51.41 N ATOM 0 H LYS A 67 -7.614 9.193 -1.926 1.00 34.41 H new ATOM 0 HA LYS A 67 -5.251 10.767 -2.782 1.00 23.55 H new ATOM 0 HB2 LYS A 67 -6.929 11.530 -4.614 1.00 40.43 H new ATOM 0 HB3 LYS A 67 -6.142 9.973 -4.776 1.00 40.43 H new ATOM 0 HG2 LYS A 67 -8.216 8.925 -3.722 1.00 53.32 H new ATOM 0 HG3 LYS A 67 -8.987 10.494 -3.845 1.00 53.32 H new ATOM 0 HD2 LYS A 67 -9.547 9.013 -5.769 1.00 54.23 H new ATOM 0 HD3 LYS A 67 -8.758 10.493 -6.277 1.00 54.23 H new ATOM 0 HE2 LYS A 67 -7.847 8.529 -7.474 1.00 33.02 H new ATOM 0 HE3 LYS A 67 -6.611 9.327 -6.522 1.00 33.02 H new ATOM 0 HZ1 LYS A 67 -6.270 7.146 -5.988 1.00 51.41 H new ATOM 0 HZ2 LYS A 67 -7.319 7.593 -4.729 1.00 51.41 H new ATOM 0 HZ3 LYS A 67 -7.915 6.732 -6.066 1.00 51.41 H new ATOM 1067 N GLY A 68 -6.489 13.071 -2.553 1.00 21.13 N ATOM 1068 CA GLY A 68 -6.720 14.325 -1.844 1.00 24.32 C ATOM 1069 C GLY A 68 -5.476 14.757 -1.079 1.00 45.03 C ATOM 1070 O GLY A 68 -4.372 14.706 -1.621 1.00 0.51 O ATOM 0 H GLY A 68 -6.016 13.173 -3.451 1.00 21.13 H new ATOM 0 HA2 GLY A 68 -7.002 15.102 -2.555 1.00 24.32 H new ATOM 0 HA3 GLY A 68 -7.554 14.207 -1.152 1.00 24.32 H new ATOM 1074 N ARG A 69 -5.636 15.161 0.179 1.00 51.14 N ATOM 1075 CA ARG A 69 -4.482 15.445 1.045 1.00 62.31 C ATOM 1076 C ARG A 69 -3.716 14.153 1.356 1.00 22.41 C ATOM 1077 O ARG A 69 -2.502 14.163 1.565 1.00 14.24 O ATOM 1078 CB ARG A 69 -4.937 16.119 2.347 1.00 20.44 C ATOM 1079 CG ARG A 69 -5.424 17.559 2.171 1.00 51.33 C ATOM 1080 CD ARG A 69 -4.275 18.571 2.095 1.00 13.54 C ATOM 1081 NE ARG A 69 -3.400 18.375 0.930 1.00 52.31 N ATOM 1082 CZ ARG A 69 -2.777 19.341 0.312 1.00 42.54 C ATOM 1083 NH1 ARG A 69 -2.914 20.566 0.699 1.00 54.43 N ATOM 1084 NH2 ARG A 69 -2.008 19.073 -0.692 1.00 14.04 N ATOM 0 H ARG A 69 -6.543 15.300 0.624 1.00 51.14 H new ATOM 0 HA ARG A 69 -3.816 16.127 0.516 1.00 62.31 H new ATOM 0 HB2 ARG A 69 -5.739 15.527 2.788 1.00 20.44 H new ATOM 0 HB3 ARG A 69 -4.109 16.111 3.056 1.00 20.44 H new ATOM 0 HG2 ARG A 69 -6.022 17.627 1.262 1.00 51.33 H new ATOM 0 HG3 ARG A 69 -6.078 17.821 3.003 1.00 51.33 H new ATOM 0 HD2 ARG A 69 -4.690 19.579 2.063 1.00 13.54 H new ATOM 0 HD3 ARG A 69 -3.678 18.501 3.004 1.00 13.54 H new ATOM 0 HE ARG A 69 -3.272 17.424 0.583 1.00 52.31 H new ATOM 0 HH11 ARG A 69 -3.514 20.786 1.494 1.00 54.43 H new ATOM 0 HH12 ARG A 69 -2.423 21.314 0.209 1.00 54.43 H new ATOM 0 HH21 ARG A 69 -1.889 18.108 -1.000 1.00 14.04 H new ATOM 0 HH22 ARG A 69 -1.520 19.827 -1.176 1.00 14.04 H new ATOM 1098 N ASP A 70 -4.444 13.042 1.372 1.00 71.22 N ATOM 1099 CA ASP A 70 -3.856 11.718 1.580 1.00 71.44 C ATOM 1100 C ASP A 70 -2.857 11.372 0.460 1.00 31.21 C ATOM 1101 O ASP A 70 -1.851 10.701 0.695 1.00 33.45 O ATOM 1102 CB ASP A 70 -4.974 10.673 1.633 1.00 12.52 C ATOM 1103 CG ASP A 70 -6.076 11.051 2.607 1.00 11.41 C ATOM 1104 OD1 ASP A 70 -6.958 11.861 2.234 1.00 52.02 O ATOM 1105 OD2 ASP A 70 -6.073 10.550 3.748 1.00 71.44 O ATOM 0 H ASP A 70 -5.456 13.030 1.242 1.00 71.22 H new ATOM 0 HA ASP A 70 -3.310 11.721 2.523 1.00 71.44 H new ATOM 0 HB2 ASP A 70 -5.400 10.550 0.637 1.00 12.52 H new ATOM 0 HB3 ASP A 70 -4.553 9.710 1.921 1.00 12.52 H new ATOM 1110 N LEU A 71 -3.134 11.861 -0.752 1.00 42.23 N ATOM 1111 CA LEU A 71 -2.286 11.591 -1.919 1.00 13.14 C ATOM 1112 C LEU A 71 -0.874 12.165 -1.719 1.00 52.21 C ATOM 1113 O LEU A 71 0.114 11.431 -1.759 1.00 20.33 O ATOM 1114 CB LEU A 71 -2.938 12.176 -3.192 1.00 35.43 C ATOM 1115 CG LEU A 71 -2.372 11.689 -4.547 1.00 30.15 C ATOM 1116 CD1 LEU A 71 -3.348 12.003 -5.681 1.00 41.15 C ATOM 1117 CD2 LEU A 71 -1.010 12.317 -4.850 1.00 11.54 C ATOM 0 H LEU A 71 -3.943 12.449 -0.952 1.00 42.23 H new ATOM 0 HA LEU A 71 -2.192 10.511 -2.036 1.00 13.14 H new ATOM 0 HB2 LEU A 71 -4.003 11.946 -3.165 1.00 35.43 H new ATOM 0 HB3 LEU A 71 -2.845 13.261 -3.154 1.00 35.43 H new ATOM 0 HG LEU A 71 -2.240 10.610 -4.473 1.00 30.15 H new ATOM 0 HD11 LEU A 71 -2.933 11.653 -6.626 1.00 41.15 H new ATOM 0 HD12 LEU A 71 -4.297 11.501 -5.494 1.00 41.15 H new ATOM 0 HD13 LEU A 71 -3.511 13.079 -5.733 1.00 41.15 H new ATOM 0 HD21 LEU A 71 -0.646 11.950 -5.810 1.00 11.54 H new ATOM 0 HD22 LEU A 71 -1.110 13.402 -4.890 1.00 11.54 H new ATOM 0 HD23 LEU A 71 -0.302 12.047 -4.066 1.00 11.54 H new ATOM 1129 N ASP A 72 -0.783 13.477 -1.504 1.00 34.31 N ATOM 1130 CA ASP A 72 0.514 14.131 -1.310 1.00 42.35 C ATOM 1131 C ASP A 72 1.183 13.685 0.001 1.00 44.22 C ATOM 1132 O ASP A 72 2.409 13.585 0.077 1.00 43.34 O ATOM 1133 CB ASP A 72 0.363 15.656 -1.362 1.00 35.33 C ATOM 1134 CG ASP A 72 -0.697 16.184 -0.412 1.00 32.13 C ATOM 1135 OD1 ASP A 72 -0.364 16.488 0.749 1.00 44.13 O ATOM 1136 OD2 ASP A 72 -1.863 16.322 -0.834 1.00 11.03 O ATOM 0 H ASP A 72 -1.585 14.106 -1.460 1.00 34.31 H new ATOM 0 HA ASP A 72 1.167 13.824 -2.127 1.00 42.35 H new ATOM 0 HB2 ASP A 72 1.320 16.118 -1.121 1.00 35.33 H new ATOM 0 HB3 ASP A 72 0.112 15.955 -2.379 1.00 35.33 H new ATOM 1141 N ARG A 73 0.373 13.409 1.025 1.00 70.32 N ATOM 1142 CA ARG A 73 0.883 12.855 2.286 1.00 63.03 C ATOM 1143 C ARG A 73 1.614 11.524 2.036 1.00 64.01 C ATOM 1144 O ARG A 73 2.757 11.335 2.466 1.00 42.41 O ATOM 1145 CB ARG A 73 -0.269 12.634 3.279 1.00 3.21 C ATOM 1146 CG ARG A 73 0.173 12.132 4.656 1.00 23.41 C ATOM 1147 CD ARG A 73 0.684 13.259 5.555 1.00 63.14 C ATOM 1148 NE ARG A 73 1.870 13.931 5.019 1.00 51.01 N ATOM 1149 CZ ARG A 73 2.011 15.231 4.961 1.00 10.35 C ATOM 1150 NH1 ARG A 73 1.052 16.018 5.332 1.00 11.44 N ATOM 1151 NH2 ARG A 73 3.110 15.745 4.519 1.00 24.10 N ATOM 0 H ARG A 73 -0.636 13.559 1.009 1.00 70.32 H new ATOM 0 HA ARG A 73 1.587 13.570 2.711 1.00 63.03 H new ATOM 0 HB2 ARG A 73 -0.810 13.572 3.404 1.00 3.21 H new ATOM 0 HB3 ARG A 73 -0.969 11.916 2.851 1.00 3.21 H new ATOM 0 HG2 ARG A 73 -0.665 11.634 5.144 1.00 23.41 H new ATOM 0 HG3 ARG A 73 0.958 11.386 4.532 1.00 23.41 H new ATOM 0 HD2 ARG A 73 -0.110 13.993 5.694 1.00 63.14 H new ATOM 0 HD3 ARG A 73 0.918 12.853 6.539 1.00 63.14 H new ATOM 0 HE ARG A 73 2.632 13.351 4.670 1.00 51.01 H new ATOM 0 HH11 ARG A 73 0.174 15.626 5.674 1.00 11.44 H new ATOM 0 HH12 ARG A 73 1.174 17.029 5.282 1.00 11.44 H new ATOM 0 HH21 ARG A 73 3.871 15.138 4.214 1.00 24.10 H new ATOM 0 HH22 ARG A 73 3.217 16.758 4.475 1.00 24.10 H new ATOM 1165 N GLN A 74 0.941 10.604 1.342 1.00 21.25 N ATOM 1166 CA GLN A 74 1.532 9.309 0.994 1.00 44.54 C ATOM 1167 C GLN A 74 2.732 9.492 0.053 1.00 32.43 C ATOM 1168 O GLN A 74 3.756 8.824 0.196 1.00 10.52 O ATOM 1169 CB GLN A 74 0.476 8.402 0.341 1.00 24.22 C ATOM 1170 CG GLN A 74 0.964 6.980 0.082 1.00 21.34 C ATOM 1171 CD GLN A 74 -0.105 6.070 -0.498 1.00 45.55 C ATOM 1172 OE1 GLN A 74 -1.294 6.256 -0.273 1.00 43.24 O ATOM 1173 NE2 GLN A 74 0.312 5.060 -1.232 1.00 14.23 N ATOM 0 H GLN A 74 -0.015 10.731 1.009 1.00 21.25 H new ATOM 0 HA GLN A 74 1.886 8.836 1.910 1.00 44.54 H new ATOM 0 HB2 GLN A 74 -0.404 8.363 0.983 1.00 24.22 H new ATOM 0 HB3 GLN A 74 0.162 8.847 -0.603 1.00 24.22 H new ATOM 0 HG2 GLN A 74 1.812 7.014 -0.602 1.00 21.34 H new ATOM 0 HG3 GLN A 74 1.326 6.552 1.017 1.00 21.34 H new ATOM 0 HE21 GLN A 74 1.309 4.931 -1.402 1.00 14.23 H new ATOM 0 HE22 GLN A 74 -0.362 4.407 -1.631 1.00 14.23 H new ATOM 1182 N LYS A 75 2.597 10.415 -0.898 1.00 52.51 N ATOM 1183 CA LYS A 75 3.679 10.739 -1.835 1.00 43.14 C ATOM 1184 C LYS A 75 4.977 11.098 -1.091 1.00 10.51 C ATOM 1185 O LYS A 75 6.040 10.551 -1.384 1.00 33.15 O ATOM 1186 CB LYS A 75 3.249 11.901 -2.744 1.00 45.30 C ATOM 1187 CG LYS A 75 4.328 12.372 -3.718 1.00 23.14 C ATOM 1188 CD LYS A 75 3.805 13.459 -4.656 1.00 54.25 C ATOM 1189 CE LYS A 75 4.894 13.978 -5.589 1.00 53.51 C ATOM 1190 NZ LYS A 75 5.962 14.705 -4.852 1.00 54.02 N ATOM 0 H LYS A 75 1.745 10.956 -1.043 1.00 52.51 H new ATOM 0 HA LYS A 75 3.878 9.857 -2.444 1.00 43.14 H new ATOM 0 HB2 LYS A 75 2.371 11.596 -3.313 1.00 45.30 H new ATOM 0 HB3 LYS A 75 2.947 12.742 -2.120 1.00 45.30 H new ATOM 0 HG2 LYS A 75 5.182 12.754 -3.159 1.00 23.14 H new ATOM 0 HG3 LYS A 75 4.684 11.525 -4.305 1.00 23.14 H new ATOM 0 HD2 LYS A 75 2.980 13.062 -5.247 1.00 54.25 H new ATOM 0 HD3 LYS A 75 3.407 14.286 -4.067 1.00 54.25 H new ATOM 0 HE2 LYS A 75 5.334 13.142 -6.133 1.00 53.51 H new ATOM 0 HE3 LYS A 75 4.450 14.642 -6.331 1.00 53.51 H new ATOM 0 HZ1 LYS A 75 6.664 15.070 -5.528 1.00 54.02 H new ATOM 0 HZ2 LYS A 75 5.543 15.498 -4.326 1.00 54.02 H new ATOM 0 HZ3 LYS A 75 6.428 14.056 -4.186 1.00 54.02 H new ATOM 1204 N GLN A 76 4.877 12.007 -0.120 1.00 40.32 N ATOM 1205 CA GLN A 76 6.037 12.416 0.689 1.00 61.24 C ATOM 1206 C GLN A 76 6.625 11.232 1.475 1.00 11.14 C ATOM 1207 O GLN A 76 7.839 11.153 1.689 1.00 41.03 O ATOM 1208 CB GLN A 76 5.642 13.544 1.652 1.00 63.43 C ATOM 1209 CG GLN A 76 5.198 14.819 0.945 1.00 72.52 C ATOM 1210 CD GLN A 76 4.755 15.903 1.910 1.00 62.11 C ATOM 1211 OE1 GLN A 76 5.236 15.988 3.034 1.00 14.41 O ATOM 1212 NE2 GLN A 76 3.826 16.736 1.487 1.00 30.10 N ATOM 0 H GLN A 76 4.007 12.477 0.129 1.00 40.32 H new ATOM 0 HA GLN A 76 6.806 12.779 0.006 1.00 61.24 H new ATOM 0 HB2 GLN A 76 4.835 13.195 2.296 1.00 63.43 H new ATOM 0 HB3 GLN A 76 6.489 13.773 2.298 1.00 63.43 H new ATOM 0 HG2 GLN A 76 6.019 15.195 0.335 1.00 72.52 H new ATOM 0 HG3 GLN A 76 4.378 14.586 0.266 1.00 72.52 H new ATOM 0 HE21 GLN A 76 3.445 16.640 0.546 1.00 30.10 H new ATOM 0 HE22 GLN A 76 3.488 17.477 2.101 1.00 30.10 H new ATOM 1221 N LYS A 77 5.759 10.320 1.917 1.00 23.13 N ATOM 1222 CA LYS A 77 6.201 9.084 2.574 1.00 43.52 C ATOM 1223 C LYS A 77 7.019 8.209 1.612 1.00 15.02 C ATOM 1224 O LYS A 77 8.067 7.671 1.975 1.00 3.33 O ATOM 1225 CB LYS A 77 4.990 8.297 3.092 1.00 72.25 C ATOM 1226 CG LYS A 77 4.313 8.924 4.306 1.00 3.11 C ATOM 1227 CD LYS A 77 5.200 8.839 5.546 1.00 2.33 C ATOM 1228 CE LYS A 77 4.537 9.458 6.769 1.00 11.34 C ATOM 1229 NZ LYS A 77 5.353 9.261 7.995 1.00 22.33 N ATOM 0 H LYS A 77 4.747 10.411 1.833 1.00 23.13 H new ATOM 0 HA LYS A 77 6.838 9.359 3.415 1.00 43.52 H new ATOM 0 HB2 LYS A 77 4.259 8.206 2.289 1.00 72.25 H new ATOM 0 HB3 LYS A 77 5.309 7.287 3.349 1.00 72.25 H new ATOM 0 HG2 LYS A 77 4.079 9.968 4.095 1.00 3.11 H new ATOM 0 HG3 LYS A 77 3.367 8.418 4.498 1.00 3.11 H new ATOM 0 HD2 LYS A 77 5.436 7.795 5.752 1.00 2.33 H new ATOM 0 HD3 LYS A 77 6.145 9.346 5.351 1.00 2.33 H new ATOM 0 HE2 LYS A 77 4.385 10.524 6.600 1.00 11.34 H new ATOM 0 HE3 LYS A 77 3.552 9.015 6.912 1.00 11.34 H new ATOM 0 HZ1 LYS A 77 4.870 9.696 8.807 1.00 22.33 H new ATOM 0 HZ2 LYS A 77 5.477 8.243 8.170 1.00 22.33 H new ATOM 0 HZ3 LYS A 77 6.284 9.706 7.867 1.00 22.33 H new ATOM 1243 N LEU A 78 6.530 8.079 0.383 1.00 72.51 N ATOM 1244 CA LEU A 78 7.215 7.299 -0.652 1.00 72.14 C ATOM 1245 C LEU A 78 8.537 7.967 -1.072 1.00 12.25 C ATOM 1246 O LEU A 78 9.532 7.289 -1.342 1.00 51.21 O ATOM 1247 CB LEU A 78 6.296 7.126 -1.865 1.00 14.25 C ATOM 1248 CG LEU A 78 4.941 6.455 -1.564 1.00 44.21 C ATOM 1249 CD1 LEU A 78 4.045 6.453 -2.798 1.00 23.24 C ATOM 1250 CD2 LEU A 78 5.143 5.036 -1.040 1.00 14.31 C ATOM 0 H LEU A 78 5.656 8.505 0.074 1.00 72.51 H new ATOM 0 HA LEU A 78 7.455 6.319 -0.240 1.00 72.14 H new ATOM 0 HB2 LEU A 78 6.110 8.106 -2.304 1.00 14.25 H new ATOM 0 HB3 LEU A 78 6.819 6.534 -2.617 1.00 14.25 H new ATOM 0 HG LEU A 78 4.444 7.037 -0.788 1.00 44.21 H new ATOM 0 HD11 LEU A 78 3.096 5.974 -2.558 1.00 23.24 H new ATOM 0 HD12 LEU A 78 3.863 7.479 -3.117 1.00 23.24 H new ATOM 0 HD13 LEU A 78 4.535 5.904 -3.602 1.00 23.24 H new ATOM 0 HD21 LEU A 78 4.173 4.583 -0.835 1.00 14.31 H new ATOM 0 HD22 LEU A 78 5.670 4.443 -1.788 1.00 14.31 H new ATOM 0 HD23 LEU A 78 5.731 5.067 -0.122 1.00 14.31 H new ATOM 1262 N GLU A 79 8.541 9.297 -1.121 1.00 64.22 N ATOM 1263 CA GLU A 79 9.765 10.057 -1.414 1.00 24.11 C ATOM 1264 C GLU A 79 10.847 9.783 -0.360 1.00 14.45 C ATOM 1265 O GLU A 79 12.033 9.699 -0.678 1.00 44.24 O ATOM 1266 CB GLU A 79 9.464 11.559 -1.488 1.00 31.11 C ATOM 1267 CG GLU A 79 8.611 11.955 -2.690 1.00 71.44 C ATOM 1268 CD GLU A 79 8.371 13.454 -2.775 1.00 71.12 C ATOM 1269 OE1 GLU A 79 9.335 14.199 -3.047 1.00 25.11 O ATOM 1270 OE2 GLU A 79 7.217 13.893 -2.584 1.00 71.23 O ATOM 0 H GLU A 79 7.715 9.874 -0.963 1.00 64.22 H new ATOM 0 HA GLU A 79 10.140 9.728 -2.383 1.00 24.11 H new ATOM 0 HB2 GLU A 79 8.953 11.864 -0.575 1.00 31.11 H new ATOM 0 HB3 GLU A 79 10.405 12.108 -1.525 1.00 31.11 H new ATOM 0 HG2 GLU A 79 9.100 11.618 -3.604 1.00 71.44 H new ATOM 0 HG3 GLU A 79 7.652 11.441 -2.634 1.00 71.44 H new ATOM 1277 N ALA A 80 10.432 9.632 0.899 1.00 42.34 N ATOM 1278 CA ALA A 80 11.352 9.249 1.979 1.00 22.11 C ATOM 1279 C ALA A 80 11.972 7.863 1.718 1.00 71.42 C ATOM 1280 O ALA A 80 13.102 7.583 2.120 1.00 31.23 O ATOM 1281 CB ALA A 80 10.625 9.267 3.322 1.00 2.40 C ATOM 0 H ALA A 80 9.467 9.768 1.199 1.00 42.34 H new ATOM 0 HA ALA A 80 12.163 9.976 2.008 1.00 22.11 H new ATOM 0 HB1 ALA A 80 11.317 8.981 4.114 1.00 2.40 H new ATOM 0 HB2 ALA A 80 10.245 10.270 3.516 1.00 2.40 H new ATOM 0 HB3 ALA A 80 9.794 8.563 3.295 1.00 2.40 H new ATOM 1287 N GLU A 81 11.217 7.004 1.035 1.00 21.03 N ATOM 1288 CA GLU A 81 11.701 5.677 0.627 1.00 62.33 C ATOM 1289 C GLU A 81 12.507 5.748 -0.684 1.00 52.04 C ATOM 1290 O GLU A 81 13.186 4.789 -1.058 1.00 4.41 O ATOM 1291 CB GLU A 81 10.509 4.723 0.444 1.00 53.13 C ATOM 1292 CG GLU A 81 9.737 4.432 1.728 1.00 53.13 C ATOM 1293 CD GLU A 81 10.548 3.623 2.726 1.00 3.52 C ATOM 1294 OE1 GLU A 81 10.758 2.414 2.482 1.00 50.53 O ATOM 1295 OE2 GLU A 81 10.966 4.185 3.762 1.00 12.24 O ATOM 0 H GLU A 81 10.258 7.202 0.748 1.00 21.03 H new ATOM 0 HA GLU A 81 12.360 5.305 1.412 1.00 62.33 H new ATOM 0 HB2 GLU A 81 9.825 5.151 -0.289 1.00 53.13 H new ATOM 0 HB3 GLU A 81 10.871 3.782 0.030 1.00 53.13 H new ATOM 0 HG2 GLU A 81 9.436 5.373 2.188 1.00 53.13 H new ATOM 0 HG3 GLU A 81 8.823 3.890 1.484 1.00 53.13 H new ATOM 1302 N GLY A 82 12.420 6.885 -1.376 1.00 53.43 N ATOM 1303 CA GLY A 82 13.095 7.043 -2.661 1.00 23.21 C ATOM 1304 C GLY A 82 12.316 6.428 -3.823 1.00 42.34 C ATOM 1305 O GLY A 82 12.906 5.938 -4.789 1.00 43.24 O ATOM 0 H GLY A 82 11.893 7.703 -1.070 1.00 53.43 H new ATOM 0 HA2 GLY A 82 13.250 8.104 -2.856 1.00 23.21 H new ATOM 0 HA3 GLY A 82 14.081 6.581 -2.607 1.00 23.21 H new ATOM 1309 N ILE A 83 10.988 6.459 -3.728 1.00 50.41 N ATOM 1310 CA ILE A 83 10.114 5.859 -4.743 1.00 31.20 C ATOM 1311 C ILE A 83 9.651 6.888 -5.795 1.00 33.31 C ATOM 1312 O ILE A 83 9.135 7.956 -5.458 1.00 23.44 O ATOM 1313 CB ILE A 83 8.876 5.199 -4.076 1.00 63.24 C ATOM 1314 CG1 ILE A 83 9.327 4.059 -3.143 1.00 64.32 C ATOM 1315 CG2 ILE A 83 7.884 4.690 -5.126 1.00 74.23 C ATOM 1316 CD1 ILE A 83 8.190 3.359 -2.428 1.00 71.35 C ATOM 0 H ILE A 83 10.488 6.896 -2.954 1.00 50.41 H new ATOM 0 HA ILE A 83 10.701 5.097 -5.257 1.00 31.20 H new ATOM 0 HB ILE A 83 8.361 5.954 -3.482 1.00 63.24 H new ATOM 0 HG12 ILE A 83 9.882 3.324 -3.726 1.00 64.32 H new ATOM 0 HG13 ILE A 83 10.015 4.462 -2.400 1.00 64.32 H new ATOM 0 HG21 ILE A 83 7.029 4.234 -4.628 1.00 74.23 H new ATOM 0 HG22 ILE A 83 7.544 5.524 -5.740 1.00 74.23 H new ATOM 0 HG23 ILE A 83 8.373 3.949 -5.759 1.00 74.23 H new ATOM 0 HD11 ILE A 83 8.591 2.570 -1.792 1.00 71.35 H new ATOM 0 HD12 ILE A 83 7.647 4.079 -1.815 1.00 71.35 H new ATOM 0 HD13 ILE A 83 7.512 2.923 -3.162 1.00 71.35 H new ATOM 1328 N GLU A 84 9.848 6.553 -7.070 1.00 22.32 N ATOM 1329 CA GLU A 84 9.405 7.395 -8.184 1.00 71.10 C ATOM 1330 C GLU A 84 7.869 7.439 -8.280 1.00 12.32 C ATOM 1331 O GLU A 84 7.239 6.542 -8.846 1.00 42.45 O ATOM 1332 CB GLU A 84 10.015 6.880 -9.501 1.00 71.41 C ATOM 1333 CG GLU A 84 9.505 7.586 -10.756 1.00 65.15 C ATOM 1334 CD GLU A 84 10.196 7.104 -12.025 1.00 63.32 C ATOM 1335 OE1 GLU A 84 10.092 5.902 -12.356 1.00 74.13 O ATOM 1336 OE2 GLU A 84 10.860 7.927 -12.695 1.00 14.52 O ATOM 0 H GLU A 84 10.317 5.695 -7.360 1.00 22.32 H new ATOM 0 HA GLU A 84 9.751 8.413 -8.002 1.00 71.10 H new ATOM 0 HB2 GLU A 84 11.098 6.991 -9.452 1.00 71.41 H new ATOM 0 HB3 GLU A 84 9.807 5.814 -9.590 1.00 71.41 H new ATOM 0 HG2 GLU A 84 8.431 7.423 -10.848 1.00 65.15 H new ATOM 0 HG3 GLU A 84 9.657 8.660 -10.650 1.00 65.15 H new ATOM 1343 N VAL A 85 7.275 8.475 -7.693 1.00 54.43 N ATOM 1344 CA VAL A 85 5.825 8.680 -7.760 1.00 43.02 C ATOM 1345 C VAL A 85 5.452 9.564 -8.959 1.00 10.44 C ATOM 1346 O VAL A 85 5.841 10.733 -9.022 1.00 50.34 O ATOM 1347 CB VAL A 85 5.282 9.338 -6.465 1.00 61.23 C ATOM 1348 CG1 VAL A 85 3.756 9.459 -6.508 1.00 22.14 C ATOM 1349 CG2 VAL A 85 5.735 8.559 -5.233 1.00 12.32 C ATOM 0 H VAL A 85 7.775 9.189 -7.163 1.00 54.43 H new ATOM 0 HA VAL A 85 5.372 7.695 -7.874 1.00 43.02 H new ATOM 0 HB VAL A 85 5.693 10.345 -6.399 1.00 61.23 H new ATOM 0 HG11 VAL A 85 3.402 9.924 -5.588 1.00 22.14 H new ATOM 0 HG12 VAL A 85 3.464 10.072 -7.360 1.00 22.14 H new ATOM 0 HG13 VAL A 85 3.315 8.467 -6.607 1.00 22.14 H new ATOM 0 HG21 VAL A 85 5.343 9.038 -4.336 1.00 12.32 H new ATOM 0 HG22 VAL A 85 5.362 7.537 -5.291 1.00 12.32 H new ATOM 0 HG23 VAL A 85 6.824 8.546 -5.191 1.00 12.32 H new ATOM 1359 N SER A 86 4.704 9.003 -9.905 1.00 21.34 N ATOM 1360 CA SER A 86 4.254 9.754 -11.087 1.00 0.04 C ATOM 1361 C SER A 86 3.315 10.903 -10.693 1.00 13.14 C ATOM 1362 O SER A 86 2.433 10.730 -9.846 1.00 63.10 O ATOM 1363 CB SER A 86 3.547 8.826 -12.086 1.00 31.24 C ATOM 1364 OG SER A 86 3.104 9.538 -13.234 1.00 72.33 O ATOM 0 H SER A 86 4.394 8.032 -9.882 1.00 21.34 H new ATOM 0 HA SER A 86 5.140 10.178 -11.561 1.00 0.04 H new ATOM 0 HB2 SER A 86 4.228 8.031 -12.390 1.00 31.24 H new ATOM 0 HB3 SER A 86 2.695 8.349 -11.601 1.00 31.24 H new ATOM 0 HG SER A 86 2.957 8.910 -13.972 1.00 72.33 H new ATOM 1370 N GLU A 87 3.501 12.054 -11.344 1.00 1.30 N ATOM 1371 CA GLU A 87 2.787 13.306 -11.025 1.00 1.40 C ATOM 1372 C GLU A 87 1.284 13.101 -10.758 1.00 50.12 C ATOM 1373 O GLU A 87 0.720 13.689 -9.830 1.00 70.21 O ATOM 1374 CB GLU A 87 2.976 14.289 -12.190 1.00 2.23 C ATOM 1375 CG GLU A 87 2.322 15.650 -11.984 1.00 22.42 C ATOM 1376 CD GLU A 87 2.513 16.572 -13.181 1.00 2.23 C ATOM 1377 OE1 GLU A 87 3.543 17.276 -13.242 1.00 43.30 O ATOM 1378 OE2 GLU A 87 1.637 16.586 -14.075 1.00 62.51 O ATOM 0 H GLU A 87 4.158 12.150 -12.118 1.00 1.30 H new ATOM 0 HA GLU A 87 3.212 13.699 -10.102 1.00 1.40 H new ATOM 0 HB2 GLU A 87 4.043 14.435 -12.356 1.00 2.23 H new ATOM 0 HB3 GLU A 87 2.571 13.840 -13.097 1.00 2.23 H new ATOM 0 HG2 GLU A 87 1.256 15.514 -11.800 1.00 22.42 H new ATOM 0 HG3 GLU A 87 2.742 16.121 -11.095 1.00 22.42 H new ATOM 1385 N ILE A 88 0.646 12.254 -11.559 1.00 53.54 N ATOM 1386 CA ILE A 88 -0.801 12.022 -11.454 1.00 23.21 C ATOM 1387 C ILE A 88 -1.169 11.047 -10.314 1.00 75.14 C ATOM 1388 O ILE A 88 -2.290 10.535 -10.267 1.00 50.41 O ATOM 1389 CB ILE A 88 -1.371 11.480 -12.790 1.00 62.13 C ATOM 1390 CG1 ILE A 88 -0.695 10.147 -13.168 1.00 53.11 C ATOM 1391 CG2 ILE A 88 -1.189 12.512 -13.899 1.00 44.00 C ATOM 1392 CD1 ILE A 88 -1.233 9.522 -14.441 1.00 52.35 C ATOM 0 H ILE A 88 1.105 11.713 -12.292 1.00 53.54 H new ATOM 0 HA ILE A 88 -1.247 12.990 -11.224 1.00 23.21 H new ATOM 0 HB ILE A 88 -2.437 11.294 -12.663 1.00 62.13 H new ATOM 0 HG12 ILE A 88 0.376 10.314 -13.282 1.00 53.11 H new ATOM 0 HG13 ILE A 88 -0.822 9.441 -12.347 1.00 53.11 H new ATOM 0 HG21 ILE A 88 -1.593 12.119 -14.832 1.00 44.00 H new ATOM 0 HG22 ILE A 88 -1.715 13.429 -13.633 1.00 44.00 H new ATOM 0 HG23 ILE A 88 -0.128 12.727 -14.026 1.00 44.00 H new ATOM 0 HD11 ILE A 88 -0.707 8.588 -14.638 1.00 52.35 H new ATOM 0 HD12 ILE A 88 -2.298 9.321 -14.326 1.00 52.35 H new ATOM 0 HD13 ILE A 88 -1.081 10.207 -15.275 1.00 52.35 H new ATOM 1404 N GLY A 89 -0.236 10.811 -9.391 1.00 4.15 N ATOM 1405 CA GLY A 89 -0.484 9.890 -8.282 1.00 40.11 C ATOM 1406 C GLY A 89 -0.439 8.422 -8.701 1.00 61.31 C ATOM 1407 O GLY A 89 -1.258 7.613 -8.261 1.00 54.03 O ATOM 0 H GLY A 89 0.689 11.240 -9.389 1.00 4.15 H new ATOM 0 HA2 GLY A 89 0.258 10.062 -7.502 1.00 40.11 H new ATOM 0 HA3 GLY A 89 -1.460 10.108 -7.848 1.00 40.11 H new ATOM 1411 N LYS A 90 0.531 8.078 -9.542 1.00 33.53 N ATOM 1412 CA LYS A 90 0.659 6.710 -10.070 1.00 33.31 C ATOM 1413 C LYS A 90 2.038 6.112 -9.734 1.00 41.25 C ATOM 1414 O LYS A 90 3.048 6.816 -9.750 1.00 33.51 O ATOM 1415 CB LYS A 90 0.435 6.720 -11.591 1.00 45.01 C ATOM 1416 CG LYS A 90 0.500 5.340 -12.245 1.00 10.31 C ATOM 1417 CD LYS A 90 0.325 5.421 -13.760 1.00 32.33 C ATOM 1418 CE LYS A 90 1.424 6.255 -14.409 1.00 32.15 C ATOM 1419 NZ LYS A 90 1.293 6.315 -15.887 1.00 75.10 N ATOM 0 H LYS A 90 1.245 8.724 -9.878 1.00 33.53 H new ATOM 0 HA LYS A 90 -0.099 6.084 -9.599 1.00 33.31 H new ATOM 0 HB2 LYS A 90 -0.539 7.163 -11.800 1.00 45.01 H new ATOM 0 HB3 LYS A 90 1.184 7.364 -12.053 1.00 45.01 H new ATOM 0 HG2 LYS A 90 1.458 4.873 -12.014 1.00 10.31 H new ATOM 0 HG3 LYS A 90 -0.276 4.701 -11.823 1.00 10.31 H new ATOM 0 HD2 LYS A 90 0.333 4.416 -14.182 1.00 32.33 H new ATOM 0 HD3 LYS A 90 -0.647 5.856 -13.992 1.00 32.33 H new ATOM 0 HE2 LYS A 90 1.396 7.266 -14.003 1.00 32.15 H new ATOM 0 HE3 LYS A 90 2.396 5.835 -14.150 1.00 32.15 H new ATOM 0 HZ1 LYS A 90 2.063 6.893 -16.281 1.00 75.10 H new ATOM 0 HZ2 LYS A 90 1.346 5.353 -16.280 1.00 75.10 H new ATOM 0 HZ3 LYS A 90 0.378 6.741 -16.137 1.00 75.10 H new ATOM 1433 N ILE A 91 2.075 4.811 -9.444 1.00 62.45 N ATOM 1434 CA ILE A 91 3.326 4.129 -9.070 1.00 1.31 C ATOM 1435 C ILE A 91 3.663 2.995 -10.053 1.00 22.43 C ATOM 1436 O ILE A 91 2.795 2.211 -10.438 1.00 24.21 O ATOM 1437 CB ILE A 91 3.240 3.549 -7.632 1.00 12.04 C ATOM 1438 CG1 ILE A 91 2.955 4.670 -6.616 1.00 11.53 C ATOM 1439 CG2 ILE A 91 4.530 2.807 -7.266 1.00 52.15 C ATOM 1440 CD1 ILE A 91 2.802 4.180 -5.192 1.00 41.21 C ATOM 0 H ILE A 91 1.256 4.204 -9.459 1.00 62.45 H new ATOM 0 HA ILE A 91 4.118 4.877 -9.108 1.00 1.31 H new ATOM 0 HB ILE A 91 2.417 2.835 -7.601 1.00 12.04 H new ATOM 0 HG12 ILE A 91 3.766 5.397 -6.655 1.00 11.53 H new ATOM 0 HG13 ILE A 91 2.044 5.192 -6.911 1.00 11.53 H new ATOM 0 HG21 ILE A 91 4.447 2.409 -6.255 1.00 52.15 H new ATOM 0 HG22 ILE A 91 4.689 1.987 -7.966 1.00 52.15 H new ATOM 0 HG23 ILE A 91 5.373 3.496 -7.317 1.00 52.15 H new ATOM 0 HD11 ILE A 91 2.603 5.027 -4.535 1.00 41.21 H new ATOM 0 HD12 ILE A 91 1.972 3.475 -5.137 1.00 41.21 H new ATOM 0 HD13 ILE A 91 3.720 3.684 -4.877 1.00 41.21 H new ATOM 1452 N ALA A 92 4.930 2.914 -10.455 1.00 35.21 N ATOM 1453 CA ALA A 92 5.383 1.863 -11.371 1.00 15.21 C ATOM 1454 C ALA A 92 5.663 0.548 -10.627 1.00 21.20 C ATOM 1455 O ALA A 92 6.762 0.328 -10.106 1.00 24.12 O ATOM 1456 CB ALA A 92 6.623 2.319 -12.128 1.00 72.50 C ATOM 0 H ALA A 92 5.662 3.561 -10.163 1.00 35.21 H new ATOM 0 HA ALA A 92 4.581 1.676 -12.085 1.00 15.21 H new ATOM 0 HB1 ALA A 92 6.948 1.528 -12.804 1.00 72.50 H new ATOM 0 HB2 ALA A 92 6.389 3.215 -12.703 1.00 72.50 H new ATOM 0 HB3 ALA A 92 7.421 2.541 -11.419 1.00 72.50 H new ATOM 1462 N LEU A 93 4.664 -0.328 -10.581 1.00 75.45 N ATOM 1463 CA LEU A 93 4.782 -1.601 -9.864 1.00 44.42 C ATOM 1464 C LEU A 93 5.923 -2.476 -10.412 1.00 24.23 C ATOM 1465 O LEU A 93 6.614 -3.134 -9.648 1.00 43.23 O ATOM 1466 CB LEU A 93 3.450 -2.365 -9.901 1.00 4.14 C ATOM 1467 CG LEU A 93 2.301 -1.701 -9.119 1.00 32.52 C ATOM 1468 CD1 LEU A 93 1.012 -2.514 -9.238 1.00 54.22 C ATOM 1469 CD2 LEU A 93 2.687 -1.512 -7.651 1.00 22.11 C ATOM 0 H LEU A 93 3.761 -0.183 -11.032 1.00 75.45 H new ATOM 0 HA LEU A 93 5.028 -1.366 -8.828 1.00 44.42 H new ATOM 0 HB2 LEU A 93 3.143 -2.482 -10.940 1.00 4.14 H new ATOM 0 HB3 LEU A 93 3.611 -3.366 -9.502 1.00 4.14 H new ATOM 0 HG LEU A 93 2.120 -0.719 -9.557 1.00 32.52 H new ATOM 0 HD11 LEU A 93 0.218 -2.022 -8.676 1.00 54.22 H new ATOM 0 HD12 LEU A 93 0.723 -2.587 -10.287 1.00 54.22 H new ATOM 0 HD13 LEU A 93 1.174 -3.514 -8.836 1.00 54.22 H new ATOM 0 HD21 LEU A 93 1.862 -1.042 -7.116 1.00 22.11 H new ATOM 0 HD22 LEU A 93 2.903 -2.482 -7.204 1.00 22.11 H new ATOM 0 HD23 LEU A 93 3.571 -0.877 -7.586 1.00 22.11 H new ATOM 1481 N ARG A 94 6.147 -2.451 -11.724 1.00 34.11 N ATOM 1482 CA ARG A 94 7.210 -3.267 -12.343 1.00 12.43 C ATOM 1483 C ARG A 94 8.580 -3.055 -11.664 1.00 73.33 C ATOM 1484 O ARG A 94 9.420 -3.959 -11.640 1.00 73.44 O ATOM 1485 CB ARG A 94 7.310 -2.953 -13.846 1.00 41.02 C ATOM 1486 CG ARG A 94 8.387 -3.745 -14.588 1.00 34.35 C ATOM 1487 CD ARG A 94 8.215 -5.255 -14.426 1.00 71.23 C ATOM 1488 NE ARG A 94 6.911 -5.727 -14.897 1.00 31.23 N ATOM 1489 CZ ARG A 94 6.642 -6.973 -15.184 1.00 72.32 C ATOM 1490 NH1 ARG A 94 7.540 -7.894 -15.040 1.00 3.15 N ATOM 1491 NH2 ARG A 94 5.465 -7.294 -15.603 1.00 52.53 N ATOM 0 H ARG A 94 5.615 -1.881 -12.382 1.00 34.11 H new ATOM 0 HA ARG A 94 6.938 -4.314 -12.205 1.00 12.43 H new ATOM 0 HB2 ARG A 94 6.345 -3.153 -14.311 1.00 41.02 H new ATOM 0 HB3 ARG A 94 7.509 -1.889 -13.970 1.00 41.02 H new ATOM 0 HG2 ARG A 94 8.357 -3.490 -15.647 1.00 34.35 H new ATOM 0 HG3 ARG A 94 9.369 -3.452 -14.218 1.00 34.35 H new ATOM 0 HD2 ARG A 94 9.004 -5.768 -14.977 1.00 71.23 H new ATOM 0 HD3 ARG A 94 8.336 -5.520 -13.376 1.00 71.23 H new ATOM 0 HE ARG A 94 6.166 -5.040 -15.008 1.00 31.23 H new ATOM 0 HH11 ARG A 94 8.470 -7.651 -14.699 1.00 3.15 H new ATOM 0 HH12 ARG A 94 7.318 -8.863 -15.267 1.00 3.15 H new ATOM 0 HH21 ARG A 94 4.748 -6.576 -15.709 1.00 52.53 H new ATOM 0 HH22 ARG A 94 5.251 -8.266 -15.828 1.00 52.53 H new ATOM 1505 N LYS A 95 8.794 -1.867 -11.101 1.00 75.30 N ATOM 1506 CA LYS A 95 10.060 -1.545 -10.431 1.00 2.01 C ATOM 1507 C LYS A 95 9.887 -1.377 -8.904 1.00 3.34 C ATOM 1508 O LYS A 95 10.874 -1.246 -8.177 1.00 63.43 O ATOM 1509 CB LYS A 95 10.677 -0.282 -11.062 1.00 34.42 C ATOM 1510 CG LYS A 95 9.734 0.915 -11.102 1.00 71.13 C ATOM 1511 CD LYS A 95 10.277 2.068 -11.949 1.00 12.13 C ATOM 1512 CE LYS A 95 11.578 2.636 -11.396 1.00 21.44 C ATOM 1513 NZ LYS A 95 12.064 3.789 -12.198 1.00 32.30 N ATOM 0 H LYS A 95 8.110 -1.110 -11.094 1.00 75.30 H new ATOM 0 HA LYS A 95 10.740 -2.385 -10.575 1.00 2.01 H new ATOM 0 HB2 LYS A 95 11.571 -0.008 -10.502 1.00 34.42 H new ATOM 0 HB3 LYS A 95 10.996 -0.515 -12.078 1.00 34.42 H new ATOM 0 HG2 LYS A 95 8.770 0.599 -11.501 1.00 71.13 H new ATOM 0 HG3 LYS A 95 9.558 1.268 -10.086 1.00 71.13 H new ATOM 0 HD2 LYS A 95 10.441 1.720 -12.969 1.00 12.13 H new ATOM 0 HD3 LYS A 95 9.531 2.861 -11.999 1.00 12.13 H new ATOM 0 HE2 LYS A 95 11.427 2.950 -10.363 1.00 21.44 H new ATOM 0 HE3 LYS A 95 12.339 1.856 -11.384 1.00 21.44 H new ATOM 0 HZ1 LYS A 95 12.923 4.179 -11.760 1.00 32.30 H new ATOM 0 HZ2 LYS A 95 12.281 3.473 -13.165 1.00 32.30 H new ATOM 0 HZ3 LYS A 95 11.329 4.524 -12.231 1.00 32.30 H new ATOM 1527 N TYR A 96 8.638 -1.376 -8.416 1.00 11.12 N ATOM 1528 CA TYR A 96 8.375 -1.265 -6.964 1.00 32.34 C ATOM 1529 C TYR A 96 7.493 -2.408 -6.414 1.00 61.02 C ATOM 1530 O TYR A 96 6.993 -2.324 -5.294 1.00 74.43 O ATOM 1531 CB TYR A 96 7.744 0.100 -6.649 1.00 32.45 C ATOM 1532 CG TYR A 96 8.659 1.256 -7.003 1.00 73.23 C ATOM 1533 CD1 TYR A 96 9.812 1.494 -6.267 1.00 52.34 C ATOM 1534 CD2 TYR A 96 8.389 2.081 -8.086 1.00 71.42 C ATOM 1535 CE1 TYR A 96 10.672 2.519 -6.600 1.00 34.45 C ATOM 1536 CE2 TYR A 96 9.241 3.114 -8.422 1.00 4.32 C ATOM 1537 CZ TYR A 96 10.382 3.326 -7.678 1.00 42.43 C ATOM 1538 OH TYR A 96 11.243 4.340 -8.021 1.00 22.24 O ATOM 0 H TYR A 96 7.800 -1.450 -8.993 1.00 11.12 H new ATOM 0 HA TYR A 96 9.338 -1.353 -6.461 1.00 32.34 H new ATOM 0 HB2 TYR A 96 6.808 0.200 -7.198 1.00 32.45 H new ATOM 0 HB3 TYR A 96 7.498 0.147 -5.588 1.00 32.45 H new ATOM 0 HD1 TYR A 96 10.039 0.865 -5.419 1.00 52.34 H new ATOM 0 HD2 TYR A 96 7.499 1.912 -8.675 1.00 71.42 H new ATOM 0 HE1 TYR A 96 11.567 2.688 -6.020 1.00 34.45 H new ATOM 0 HE2 TYR A 96 9.015 3.753 -9.263 1.00 4.32 H new ATOM 0 HH TYR A 96 11.997 3.972 -8.528 1.00 22.24 H new ATOM 1548 N LYS A 97 7.325 -3.478 -7.189 1.00 13.12 N ATOM 1549 CA LYS A 97 6.510 -4.634 -6.768 1.00 15.50 C ATOM 1550 C LYS A 97 7.219 -5.495 -5.707 1.00 5.31 C ATOM 1551 O LYS A 97 8.427 -5.736 -5.785 1.00 73.23 O ATOM 1552 CB LYS A 97 6.163 -5.507 -7.986 1.00 52.04 C ATOM 1553 CG LYS A 97 7.388 -6.036 -8.732 1.00 72.54 C ATOM 1554 CD LYS A 97 7.011 -6.812 -9.994 1.00 63.42 C ATOM 1555 CE LYS A 97 6.197 -8.062 -9.679 1.00 20.30 C ATOM 1556 NZ LYS A 97 5.872 -8.837 -10.904 1.00 3.22 N ATOM 0 H LYS A 97 7.740 -3.576 -8.115 1.00 13.12 H new ATOM 0 HA LYS A 97 5.600 -4.237 -6.319 1.00 15.50 H new ATOM 0 HB2 LYS A 97 5.557 -6.351 -7.656 1.00 52.04 H new ATOM 0 HB3 LYS A 97 5.551 -4.926 -8.676 1.00 52.04 H new ATOM 0 HG2 LYS A 97 8.035 -5.201 -9.002 1.00 72.54 H new ATOM 0 HG3 LYS A 97 7.963 -6.683 -8.069 1.00 72.54 H new ATOM 0 HD2 LYS A 97 6.438 -6.165 -10.659 1.00 63.42 H new ATOM 0 HD3 LYS A 97 7.918 -7.096 -10.529 1.00 63.42 H new ATOM 0 HE2 LYS A 97 6.755 -8.694 -8.988 1.00 20.30 H new ATOM 0 HE3 LYS A 97 5.274 -7.776 -9.175 1.00 20.30 H new ATOM 0 HZ1 LYS A 97 5.318 -9.679 -10.646 1.00 3.22 H new ATOM 0 HZ2 LYS A 97 5.317 -8.243 -11.553 1.00 3.22 H new ATOM 0 HZ3 LYS A 97 6.753 -9.132 -11.372 1.00 3.22 H new ATOM 1570 N TRP A 98 6.462 -5.957 -4.713 1.00 5.22 N ATOM 1571 CA TRP A 98 6.993 -6.862 -3.689 1.00 23.35 C ATOM 1572 C TRP A 98 6.627 -8.325 -3.988 1.00 50.02 C ATOM 1573 O TRP A 98 5.466 -8.649 -4.265 1.00 40.22 O ATOM 1574 CB TRP A 98 6.475 -6.466 -2.300 1.00 22.42 C ATOM 1575 CG TRP A 98 6.919 -7.396 -1.203 1.00 12.30 C ATOM 1576 CD1 TRP A 98 8.185 -7.865 -0.984 1.00 55.22 C ATOM 1577 CD2 TRP A 98 6.098 -7.965 -0.174 1.00 32.44 C ATOM 1578 NE1 TRP A 98 8.200 -8.682 0.121 1.00 12.32 N ATOM 1579 CE2 TRP A 98 6.932 -8.762 0.634 1.00 54.25 C ATOM 1580 CE3 TRP A 98 4.741 -7.876 0.144 1.00 22.13 C ATOM 1581 CZ2 TRP A 98 6.454 -9.463 1.737 1.00 43.45 C ATOM 1582 CZ3 TRP A 98 4.266 -8.574 1.239 1.00 13.51 C ATOM 1583 CH2 TRP A 98 5.121 -9.359 2.024 1.00 22.11 C ATOM 0 H TRP A 98 5.477 -5.720 -4.593 1.00 5.22 H new ATOM 0 HA TRP A 98 8.079 -6.774 -3.703 1.00 23.35 H new ATOM 0 HB2 TRP A 98 6.815 -5.457 -2.069 1.00 22.42 H new ATOM 0 HB3 TRP A 98 5.386 -6.438 -2.322 1.00 22.42 H new ATOM 0 HD1 TRP A 98 9.047 -7.628 -1.591 1.00 55.22 H new ATOM 0 HE1 TRP A 98 9.022 -9.153 0.498 1.00 12.32 H new ATOM 0 HE3 TRP A 98 4.075 -7.273 -0.455 1.00 22.13 H new ATOM 0 HZ2 TRP A 98 7.112 -10.067 2.344 1.00 43.45 H new ATOM 0 HZ3 TRP A 98 3.218 -8.513 1.494 1.00 13.51 H new ATOM 0 HH2 TRP A 98 4.719 -9.893 2.873 1.00 22.11 H new ATOM 1594 N GLN A 99 7.627 -9.203 -3.927 1.00 70.32 N ATOM 1595 CA GLN A 99 7.424 -10.637 -4.153 1.00 60.24 C ATOM 1596 C GLN A 99 7.723 -11.443 -2.874 1.00 10.25 C ATOM 1597 O GLN A 99 8.886 -11.688 -2.547 1.00 62.33 O ATOM 1598 CB GLN A 99 8.321 -11.122 -5.302 1.00 44.13 C ATOM 1599 CG GLN A 99 8.092 -10.396 -6.626 1.00 32.54 C ATOM 1600 CD GLN A 99 6.705 -10.632 -7.204 1.00 3.22 C ATOM 1601 OE1 GLN A 99 5.764 -9.896 -6.925 1.00 73.02 O ATOM 1602 NE2 GLN A 99 6.570 -11.651 -8.026 1.00 33.55 N ATOM 0 H GLN A 99 8.593 -8.946 -3.722 1.00 70.32 H new ATOM 0 HA GLN A 99 6.380 -10.796 -4.422 1.00 60.24 H new ATOM 0 HB2 GLN A 99 9.364 -11.000 -5.010 1.00 44.13 H new ATOM 0 HB3 GLN A 99 8.155 -12.189 -5.452 1.00 44.13 H new ATOM 0 HG2 GLN A 99 8.240 -9.326 -6.477 1.00 32.54 H new ATOM 0 HG3 GLN A 99 8.840 -10.724 -7.347 1.00 32.54 H new ATOM 0 HE21 GLN A 99 7.372 -12.245 -8.238 1.00 33.55 H new ATOM 0 HE22 GLN A 99 5.664 -11.847 -8.451 1.00 33.55 H new ATOM 1611 N PRO A 100 6.671 -11.836 -2.120 1.00 32.10 N ATOM 1612 CA PRO A 100 6.817 -12.651 -0.892 1.00 63.22 C ATOM 1613 C PRO A 100 7.539 -13.983 -1.153 1.00 32.14 C ATOM 1614 O PRO A 100 8.455 -14.366 -0.419 1.00 1.50 O ATOM 1615 CB PRO A 100 5.365 -12.903 -0.452 1.00 52.34 C ATOM 1616 CG PRO A 100 4.574 -11.812 -1.093 1.00 53.24 C ATOM 1617 CD PRO A 100 5.262 -11.507 -2.396 1.00 24.54 C ATOM 0 HA PRO A 100 7.422 -12.145 -0.140 1.00 63.22 H new ATOM 0 HB2 PRO A 100 5.019 -13.884 -0.776 1.00 52.34 H new ATOM 0 HB3 PRO A 100 5.271 -12.874 0.634 1.00 52.34 H new ATOM 0 HG2 PRO A 100 3.543 -12.125 -1.261 1.00 53.24 H new ATOM 0 HG3 PRO A 100 4.539 -10.929 -0.455 1.00 53.24 H new ATOM 0 HD2 PRO A 100 4.861 -12.107 -3.213 1.00 24.54 H new ATOM 0 HD3 PRO A 100 5.141 -10.462 -2.680 1.00 24.54 H new