USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 791 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 66 LYS NZ :NH3+ -174:sc= -0.582 (180deg=-0.208) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.366 K(o=-0.95,f=-10!) USER MOD Set 2.1: A 1 MET N :NH3+ -172:sc= 0.318 (180deg=-0.228) USER MOD Set 2.2: A 44 SER OG : rot -25:sc= 0.95 USER MOD Set 3.1: A 30 CYS SG : rot 110:sc= 0.293 USER MOD Set 3.2: A 33 CYS SG : rot 72:sc= -2.47 USER MOD Set 4.1: A 1 MET CE :methyl 154:sc= 0 (180deg=0) USER MOD Set 4.2: A 3 THR OG1 : rot 180:sc=-0.00398 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.0239 F(o=-1.1,f=-0.024) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc=-0.00776 (180deg=-0.247) USER MOD Single : A 7 THR OG1 : rot 111:sc= -1.04 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00227 X(o=-0.0023,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 15:sc= -1.66 USER MOD Single : A 28 THR OG1 : rot -12:sc= -0.615! USER MOD Single : A 34 LYS NZ :NH3+ -148:sc= -0.207 (180deg=-1.29!) USER MOD Single : A 35 MET CE :methyl -130:sc= -0.503 (180deg=-2.68!) USER MOD Single : A 39 MET CE :methyl -118:sc= -0.664 (180deg=-5.82!) USER MOD Single : A 42 LYS NZ :NH3+ -136:sc= -2.6! (180deg=-5.39!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -117:sc= -1.9! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= -0.38 (180deg=-0.391) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -130:sc= -4.21! (180deg=-7.02!) USER MOD Single : A 74 THR OG1 : rot 95:sc= -2.46 USER MOD Single : A 79 LYS NZ :NH3+ -135:sc= -2.41! (180deg=-5.42!) USER MOD Single : A 80 ASN : amide:sc= -0.011 K(o=-0.011,f=-0.76) USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= -0.0179 (180deg=-0.237) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.122 F(o=-3.5!,f=-0.12) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.494 K(o=-0.49,f=-2.9!) USER MOD Single : A 102 ASN : amide:sc= -9.16! C(o=-9.2!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.122 11.390 5.036 1.00 0.00 N ATOM 2 CA MET A 1 -1.422 11.236 4.332 1.00 0.00 C ATOM 3 C MET A 1 -1.666 9.785 3.936 1.00 0.00 C ATOM 4 O MET A 1 -0.738 9.075 3.543 1.00 0.00 O ATOM 5 CB MET A 1 -1.412 12.131 3.091 1.00 0.00 C ATOM 6 CG MET A 1 -2.699 12.066 2.284 1.00 0.00 C ATOM 7 SD MET A 1 -4.141 12.582 3.236 1.00 0.00 S ATOM 8 CE MET A 1 -5.436 12.397 2.012 1.00 0.00 C ATOM 0 H1 MET A 1 -0.043 12.356 5.412 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.069 10.708 5.819 1.00 0.00 H new ATOM 0 H3 MET A 1 0.657 11.213 4.370 1.00 0.00 H new ATOM 0 HA MET A 1 -2.230 11.532 5.001 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.237 13.162 3.398 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.577 11.843 2.452 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.604 12.701 1.403 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.849 11.047 1.928 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.388 12.221 2.513 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.503 13.305 1.413 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.206 11.552 1.364 1.00 0.00 H new ATOM 20 N VAL A 2 -2.917 9.350 4.037 1.00 0.00 N ATOM 21 CA VAL A 2 -3.280 7.982 3.689 1.00 0.00 C ATOM 22 C VAL A 2 -4.734 7.901 3.234 1.00 0.00 C ATOM 23 O VAL A 2 -5.613 8.538 3.814 1.00 0.00 O ATOM 24 CB VAL A 2 -3.069 7.025 4.880 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.379 5.588 4.483 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.649 7.145 5.413 1.00 0.00 C ATOM 0 H VAL A 2 -3.696 9.925 4.357 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.628 7.677 2.870 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.759 7.309 5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.223 4.932 5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.416 5.517 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.720 5.285 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.517 6.463 6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.941 6.890 4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.470 8.168 5.744 1.00 0.00 H new ATOM 36 N THR A 3 -4.980 7.118 2.188 1.00 0.00 N ATOM 37 CA THR A 3 -6.328 6.956 1.655 1.00 0.00 C ATOM 38 C THR A 3 -6.524 5.557 1.077 1.00 0.00 C ATOM 39 O THR A 3 -5.566 4.904 0.666 1.00 0.00 O ATOM 40 CB THR A 3 -6.600 8.009 0.577 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.455 9.315 1.107 1.00 0.00 O ATOM 42 CG2 THR A 3 -7.985 7.909 -0.023 1.00 0.00 C ATOM 0 H THR A 3 -4.264 6.586 1.693 1.00 0.00 H new ATOM 0 HA THR A 3 -7.034 7.091 2.474 1.00 0.00 H new ATOM 0 HB THR A 3 -5.868 7.816 -0.207 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.631 9.975 0.404 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.111 8.684 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.112 6.929 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.731 8.042 0.760 1.00 0.00 H new ATOM 50 N GLN A 4 -7.774 5.107 1.050 1.00 0.00 N ATOM 51 CA GLN A 4 -8.108 3.786 0.524 1.00 0.00 C ATOM 52 C GLN A 4 -8.494 3.876 -0.946 1.00 0.00 C ATOM 53 O GLN A 4 -8.568 4.967 -1.513 1.00 0.00 O ATOM 54 CB GLN A 4 -9.281 3.192 1.299 1.00 0.00 C ATOM 55 CG GLN A 4 -9.104 3.226 2.811 1.00 0.00 C ATOM 56 CD GLN A 4 -10.310 2.698 3.578 1.00 0.00 C ATOM 57 OE1 GLN A 4 -11.353 2.273 2.866 1.00 0.00 O flip ATOM 58 NE2 GLN A 4 -10.303 2.671 4.809 1.00 0.00 N flip ATOM 0 H GLN A 4 -8.576 5.639 1.387 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.229 3.150 0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.189 3.736 1.037 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.426 2.159 0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.227 2.637 3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.906 4.252 3.122 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.487 3.005 5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.113 2.315 5.316 1.00 0.00 H new ATOM 67 N PHE A 5 -8.766 2.726 -1.555 1.00 0.00 N ATOM 68 CA PHE A 5 -9.176 2.686 -2.952 1.00 0.00 C ATOM 69 C PHE A 5 -10.461 1.889 -3.127 1.00 0.00 C ATOM 70 O PHE A 5 -10.625 0.813 -2.551 1.00 0.00 O ATOM 71 CB PHE A 5 -8.074 2.101 -3.834 1.00 0.00 C ATOM 72 CG PHE A 5 -6.887 3.006 -4.002 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.052 4.382 -4.076 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.611 2.480 -4.120 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.966 5.215 -4.264 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.521 3.311 -4.302 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.699 4.678 -4.377 1.00 0.00 C ATOM 0 H PHE A 5 -8.710 1.813 -1.104 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.361 3.714 -3.264 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.741 1.156 -3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.489 1.876 -4.816 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.041 4.807 -3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.466 1.411 -4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.108 6.284 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.530 2.890 -4.386 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.848 5.327 -4.524 1.00 0.00 H new ATOM 87 N LYS A 6 -11.370 2.428 -3.933 1.00 0.00 N ATOM 88 CA LYS A 6 -12.646 1.778 -4.199 1.00 0.00 C ATOM 89 C LYS A 6 -12.755 1.397 -5.672 1.00 0.00 C ATOM 90 O LYS A 6 -13.141 0.281 -6.011 1.00 0.00 O ATOM 91 CB LYS A 6 -13.802 2.705 -3.812 1.00 0.00 C ATOM 92 CG LYS A 6 -13.815 3.074 -2.337 1.00 0.00 C ATOM 93 CD LYS A 6 -13.935 1.841 -1.455 1.00 0.00 C ATOM 94 CE LYS A 6 -13.942 2.209 0.020 1.00 0.00 C ATOM 95 NZ LYS A 6 -15.077 3.109 0.365 1.00 0.00 N ATOM 0 H LYS A 6 -11.244 3.318 -4.415 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.702 0.870 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.741 3.617 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.745 2.222 -4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.901 3.613 -2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.648 3.748 -2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.851 1.304 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.105 1.165 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.004 1.301 0.620 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.002 2.697 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.189 3.146 1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.884 4.065 0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.951 2.746 -0.065 1.00 0.00 H new ATOM 109 N THR A 7 -12.403 2.335 -6.547 1.00 0.00 N ATOM 110 CA THR A 7 -12.452 2.096 -7.983 1.00 0.00 C ATOM 111 C THR A 7 -11.051 2.134 -8.579 1.00 0.00 C ATOM 112 O THR A 7 -10.262 3.028 -8.276 1.00 0.00 O ATOM 113 CB THR A 7 -13.342 3.137 -8.667 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.848 4.445 -8.440 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.778 3.101 -8.192 1.00 0.00 C ATOM 0 H THR A 7 -12.081 3.267 -6.285 1.00 0.00 H new ATOM 0 HA THR A 7 -12.876 1.106 -8.151 1.00 0.00 H new ATOM 0 HB THR A 7 -13.320 2.884 -9.727 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.501 4.814 -9.279 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.354 3.864 -8.716 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.205 2.119 -8.397 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.812 3.294 -7.120 1.00 0.00 H new ATOM 123 N ALA A 8 -10.742 1.156 -9.424 1.00 0.00 N ATOM 124 CA ALA A 8 -9.429 1.078 -10.054 1.00 0.00 C ATOM 125 C ALA A 8 -9.078 2.374 -10.770 1.00 0.00 C ATOM 126 O ALA A 8 -7.903 2.694 -10.953 1.00 0.00 O ATOM 127 CB ALA A 8 -9.373 -0.099 -11.019 1.00 0.00 C ATOM 0 H ALA A 8 -11.382 0.407 -9.688 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.689 0.923 -9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.387 -0.144 -11.481 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.561 -1.025 -10.475 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.131 0.028 -11.792 1.00 0.00 H new ATOM 133 N SER A 9 -10.098 3.128 -11.162 1.00 0.00 N ATOM 134 CA SER A 9 -9.884 4.397 -11.842 1.00 0.00 C ATOM 135 C SER A 9 -9.137 5.373 -10.934 1.00 0.00 C ATOM 136 O SER A 9 -8.592 6.374 -11.403 1.00 0.00 O ATOM 137 CB SER A 9 -11.220 5.003 -12.272 1.00 0.00 C ATOM 138 OG SER A 9 -11.913 4.136 -13.154 1.00 0.00 O ATOM 0 H SER A 9 -11.078 2.883 -11.021 1.00 0.00 H new ATOM 0 HA SER A 9 -9.279 4.211 -12.729 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.834 5.199 -11.393 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.048 5.962 -12.761 1.00 0.00 H new ATOM 0 HG SER A 9 -12.765 4.545 -13.413 1.00 0.00 H new ATOM 144 N GLU A 10 -9.113 5.077 -9.635 1.00 0.00 N ATOM 145 CA GLU A 10 -8.434 5.926 -8.670 1.00 0.00 C ATOM 146 C GLU A 10 -6.986 5.503 -8.494 1.00 0.00 C ATOM 147 O GLU A 10 -6.060 6.287 -8.702 1.00 0.00 O ATOM 148 CB GLU A 10 -9.157 5.890 -7.322 1.00 0.00 C ATOM 149 CG GLU A 10 -10.584 6.410 -7.386 1.00 0.00 C ATOM 150 CD GLU A 10 -11.287 6.346 -6.044 1.00 0.00 C ATOM 151 OE1 GLU A 10 -11.418 5.233 -5.494 1.00 0.00 O ATOM 152 OE2 GLU A 10 -11.706 7.411 -5.543 1.00 0.00 O ATOM 0 H GLU A 10 -9.558 4.253 -9.231 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.450 6.946 -9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.168 4.865 -6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.594 6.483 -6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.576 7.441 -7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.147 5.828 -8.115 1.00 0.00 H new ATOM 159 N PHE A 11 -6.807 4.254 -8.105 1.00 0.00 N ATOM 160 CA PHE A 11 -5.478 3.696 -7.889 1.00 0.00 C ATOM 161 C PHE A 11 -4.666 3.724 -9.180 1.00 0.00 C ATOM 162 O PHE A 11 -3.444 3.865 -9.158 1.00 0.00 O ATOM 163 CB PHE A 11 -5.589 2.260 -7.366 1.00 0.00 C ATOM 164 CG PHE A 11 -4.298 1.690 -6.839 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.140 2.455 -6.790 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.246 0.382 -6.382 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.963 1.927 -6.302 1.00 0.00 C ATOM 168 CE2 PHE A 11 -3.070 -0.151 -5.891 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.928 0.624 -5.852 1.00 0.00 C ATOM 0 H PHE A 11 -7.570 3.600 -7.930 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.964 4.306 -7.146 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.336 2.232 -6.572 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.954 1.620 -8.170 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.161 3.477 -7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.137 -0.228 -6.410 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.070 2.533 -6.272 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.044 -1.172 -5.538 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.007 0.210 -5.469 1.00 0.00 H new ATOM 179 N ASP A 12 -5.355 3.592 -10.309 1.00 0.00 N ATOM 180 CA ASP A 12 -4.698 3.605 -11.611 1.00 0.00 C ATOM 181 C ASP A 12 -3.868 4.875 -11.797 1.00 0.00 C ATOM 182 O ASP A 12 -2.931 4.901 -12.595 1.00 0.00 O ATOM 183 CB ASP A 12 -5.737 3.492 -12.730 1.00 0.00 C ATOM 184 CG ASP A 12 -5.106 3.471 -14.108 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.303 2.554 -14.381 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.415 4.372 -14.917 1.00 0.00 O ATOM 0 H ASP A 12 -6.367 3.475 -10.348 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.026 2.748 -11.657 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.322 2.583 -12.588 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.430 4.331 -12.664 1.00 0.00 H new ATOM 191 N SER A 13 -4.220 5.925 -11.060 1.00 0.00 N ATOM 192 CA SER A 13 -3.507 7.195 -11.150 1.00 0.00 C ATOM 193 C SER A 13 -2.217 7.163 -10.333 1.00 0.00 C ATOM 194 O SER A 13 -1.163 7.587 -10.805 1.00 0.00 O ATOM 195 CB SER A 13 -4.400 8.338 -10.665 1.00 0.00 C ATOM 196 OG SER A 13 -3.722 9.581 -10.739 1.00 0.00 O ATOM 0 H SER A 13 -4.993 5.921 -10.395 1.00 0.00 H new ATOM 0 HA SER A 13 -3.246 7.360 -12.195 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.306 8.378 -11.270 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.711 8.150 -9.637 1.00 0.00 H new ATOM 0 HG SER A 13 -4.314 10.296 -10.425 1.00 0.00 H new ATOM 202 N ALA A 14 -2.308 6.659 -9.105 1.00 0.00 N ATOM 203 CA ALA A 14 -1.147 6.573 -8.223 1.00 0.00 C ATOM 204 C ALA A 14 0.015 5.857 -8.905 1.00 0.00 C ATOM 205 O ALA A 14 1.155 6.318 -8.860 1.00 0.00 O ATOM 206 CB ALA A 14 -1.522 5.866 -6.928 1.00 0.00 C ATOM 0 H ALA A 14 -3.173 6.304 -8.698 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.823 7.587 -7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.648 5.808 -6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.312 6.424 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.875 4.859 -7.152 1.00 0.00 H new ATOM 212 N ILE A 15 -0.286 4.727 -9.536 1.00 0.00 N ATOM 213 CA ILE A 15 0.729 3.942 -10.231 1.00 0.00 C ATOM 214 C ILE A 15 1.082 4.541 -11.582 1.00 0.00 C ATOM 215 O ILE A 15 1.980 4.063 -12.243 1.00 0.00 O ATOM 216 CB ILE A 15 0.284 2.477 -10.413 1.00 0.00 C ATOM 217 CG1 ILE A 15 -1.022 2.394 -11.205 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.125 1.810 -9.053 1.00 0.00 C ATOM 219 CD1 ILE A 15 -1.528 0.978 -11.385 1.00 0.00 C ATOM 0 H ILE A 15 -1.226 4.333 -9.581 1.00 0.00 H new ATOM 0 HA ILE A 15 1.619 3.963 -9.602 1.00 0.00 H new ATOM 0 HB ILE A 15 1.053 1.951 -10.979 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.785 2.982 -10.696 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.873 2.846 -12.186 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.190 0.775 -9.190 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.077 1.833 -8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.627 2.344 -8.472 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.457 0.993 -11.955 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.783 0.391 -11.921 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.709 0.529 -10.408 1.00 0.00 H new ATOM 231 N ALA A 16 0.397 5.593 -11.996 1.00 0.00 N ATOM 232 CA ALA A 16 0.707 6.209 -13.279 1.00 0.00 C ATOM 233 C ALA A 16 1.755 7.307 -13.138 1.00 0.00 C ATOM 234 O ALA A 16 1.424 8.491 -13.076 1.00 0.00 O ATOM 235 CB ALA A 16 -0.554 6.749 -13.934 1.00 0.00 C ATOM 0 H ALA A 16 -0.363 6.033 -11.477 1.00 0.00 H new ATOM 0 HA ALA A 16 1.128 5.436 -13.922 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.300 7.205 -14.891 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.258 5.933 -14.096 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.009 7.497 -13.285 1.00 0.00 H new ATOM 241 N GLN A 17 3.026 6.906 -13.091 1.00 0.00 N ATOM 242 CA GLN A 17 4.128 7.854 -12.963 1.00 0.00 C ATOM 243 C GLN A 17 3.862 8.856 -11.850 1.00 0.00 C ATOM 244 O GLN A 17 3.249 9.900 -12.074 1.00 0.00 O ATOM 245 CB GLN A 17 4.358 8.589 -14.285 1.00 0.00 C ATOM 246 CG GLN A 17 4.822 7.680 -15.411 1.00 0.00 C ATOM 247 CD GLN A 17 5.067 8.433 -16.703 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.875 9.360 -16.753 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.371 8.032 -17.760 1.00 0.00 N ATOM 0 H GLN A 17 3.316 5.929 -13.140 1.00 0.00 H new ATOM 0 HA GLN A 17 5.026 7.290 -12.710 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.432 9.081 -14.584 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.100 9.372 -14.132 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.739 7.174 -15.110 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.073 6.907 -15.582 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.712 7.259 -17.673 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.496 8.497 -18.659 1.00 0.00 H new ATOM 258 N ASP A 18 4.324 8.534 -10.649 1.00 0.00 N ATOM 259 CA ASP A 18 4.130 9.414 -9.509 1.00 0.00 C ATOM 260 C ASP A 18 4.969 8.975 -8.314 1.00 0.00 C ATOM 261 O ASP A 18 4.509 9.035 -7.176 1.00 0.00 O ATOM 262 CB ASP A 18 2.648 9.461 -9.126 1.00 0.00 C ATOM 263 CG ASP A 18 2.361 10.465 -8.026 1.00 0.00 C ATOM 264 OD1 ASP A 18 3.308 11.149 -7.581 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.188 10.570 -7.610 1.00 0.00 O ATOM 0 H ASP A 18 4.833 7.675 -10.442 1.00 0.00 H new ATOM 0 HA ASP A 18 4.459 10.412 -9.798 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.057 9.713 -10.006 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.329 8.471 -8.801 1.00 0.00 H new ATOM 270 N LYS A 19 6.205 8.538 -8.578 1.00 0.00 N ATOM 271 CA LYS A 19 7.111 8.103 -7.519 1.00 0.00 C ATOM 272 C LYS A 19 6.720 6.718 -7.015 1.00 0.00 C ATOM 273 O LYS A 19 6.079 5.949 -7.730 1.00 0.00 O ATOM 274 CB LYS A 19 7.097 9.137 -6.387 1.00 0.00 C ATOM 275 CG LYS A 19 7.608 10.508 -6.808 1.00 0.00 C ATOM 276 CD LYS A 19 7.221 11.583 -5.806 1.00 0.00 C ATOM 277 CE LYS A 19 7.663 12.961 -6.272 1.00 0.00 C ATOM 278 NZ LYS A 19 7.285 14.023 -5.299 1.00 0.00 N ATOM 0 H LYS A 19 6.598 8.478 -9.518 1.00 0.00 H new ATOM 0 HA LYS A 19 8.125 8.030 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.079 9.238 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.707 8.769 -5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.693 10.477 -6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.205 10.762 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.141 11.575 -5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.674 11.362 -4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.744 12.967 -6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.213 13.179 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.604 14.948 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.252 14.035 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.735 13.830 -4.382 1.00 0.00 H new ATOM 292 N LEU A 20 7.116 6.402 -5.794 1.00 0.00 N ATOM 293 CA LEU A 20 6.814 5.106 -5.212 1.00 0.00 C ATOM 294 C LEU A 20 5.595 5.192 -4.305 1.00 0.00 C ATOM 295 O LEU A 20 5.602 5.890 -3.292 1.00 0.00 O ATOM 296 CB LEU A 20 8.011 4.591 -4.414 1.00 0.00 C ATOM 297 CG LEU A 20 7.747 3.307 -3.625 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.405 2.166 -4.567 1.00 0.00 C ATOM 299 CD2 LEU A 20 8.949 2.954 -2.762 1.00 0.00 C ATOM 0 H LEU A 20 7.648 7.025 -5.186 1.00 0.00 H new ATOM 0 HA LEU A 20 6.598 4.413 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.840 4.416 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.330 5.369 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 20 6.894 3.474 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.220 1.260 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.512 2.421 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.237 1.997 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.743 2.038 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.822 2.805 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.145 3.766 -2.061 1.00 0.00 H new ATOM 311 N VAL A 21 4.552 4.470 -4.686 1.00 0.00 N ATOM 312 CA VAL A 21 3.314 4.445 -3.923 1.00 0.00 C ATOM 313 C VAL A 21 3.203 3.159 -3.114 1.00 0.00 C ATOM 314 O VAL A 21 3.275 2.058 -3.664 1.00 0.00 O ATOM 315 CB VAL A 21 2.086 4.568 -4.848 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.798 4.570 -4.038 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.186 5.821 -5.704 1.00 0.00 C ATOM 0 H VAL A 21 4.539 3.890 -5.525 1.00 0.00 H new ATOM 0 HA VAL A 21 3.334 5.299 -3.245 1.00 0.00 H new ATOM 0 HB VAL A 21 2.068 3.702 -5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.055 4.658 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.721 3.640 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.804 5.414 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.311 5.891 -6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.233 6.699 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.086 5.772 -6.317 1.00 0.00 H new ATOM 327 N VAL A 22 3.026 3.303 -1.807 1.00 0.00 N ATOM 328 CA VAL A 22 2.902 2.154 -0.924 1.00 0.00 C ATOM 329 C VAL A 22 1.440 1.883 -0.597 1.00 0.00 C ATOM 330 O VAL A 22 0.858 2.523 0.279 1.00 0.00 O ATOM 331 CB VAL A 22 3.686 2.367 0.384 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.622 1.127 1.264 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.127 2.740 0.077 1.00 0.00 C ATOM 0 H VAL A 22 2.965 4.206 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 22 3.321 1.295 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 22 3.225 3.188 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.183 1.303 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.583 0.909 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.054 0.280 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.671 2.888 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.597 1.939 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.148 3.661 -0.506 1.00 0.00 H new ATOM 343 N VAL A 23 0.847 0.939 -1.318 1.00 0.00 N ATOM 344 CA VAL A 23 -0.551 0.592 -1.115 1.00 0.00 C ATOM 345 C VAL A 23 -0.694 -0.734 -0.378 1.00 0.00 C ATOM 346 O VAL A 23 -0.071 -1.732 -0.741 1.00 0.00 O ATOM 347 CB VAL A 23 -1.304 0.514 -2.455 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.789 0.269 -2.227 1.00 0.00 C ATOM 349 CG2 VAL A 23 -1.079 1.785 -3.258 1.00 0.00 C ATOM 0 H VAL A 23 1.314 0.401 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.989 1.382 -0.505 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.912 -0.328 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.301 0.218 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.925 -0.671 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.206 1.085 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.617 1.718 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.445 2.642 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.014 1.908 -3.454 1.00 0.00 H new ATOM 359 N ASP A 24 -1.523 -0.731 0.657 1.00 0.00 N ATOM 360 CA ASP A 24 -1.761 -1.927 1.455 1.00 0.00 C ATOM 361 C ASP A 24 -3.069 -2.596 1.037 1.00 0.00 C ATOM 362 O ASP A 24 -4.103 -1.941 0.932 1.00 0.00 O ATOM 363 CB ASP A 24 -1.805 -1.561 2.941 1.00 0.00 C ATOM 364 CG ASP A 24 -2.001 -2.769 3.835 1.00 0.00 C ATOM 365 OD1 ASP A 24 -3.042 -3.444 3.700 1.00 0.00 O ATOM 366 OD2 ASP A 24 -1.114 -3.040 4.671 1.00 0.00 O ATOM 0 H ASP A 24 -2.044 0.090 0.965 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.945 -2.630 1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.878 -1.058 3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.615 -0.852 3.113 1.00 0.00 H new ATOM 371 N PHE A 25 -3.017 -3.903 0.799 1.00 0.00 N ATOM 372 CA PHE A 25 -4.188 -4.656 0.391 1.00 0.00 C ATOM 373 C PHE A 25 -4.804 -5.381 1.582 1.00 0.00 C ATOM 374 O PHE A 25 -5.085 -6.579 1.519 1.00 0.00 O ATOM 375 CB PHE A 25 -3.788 -5.668 -0.679 1.00 0.00 C ATOM 376 CG PHE A 25 -3.556 -5.089 -2.045 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.635 -4.072 -2.258 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.240 -5.603 -3.126 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.408 -3.582 -3.532 1.00 0.00 C ATOM 380 CE2 PHE A 25 -4.024 -5.117 -4.396 1.00 0.00 C ATOM 381 CZ PHE A 25 -3.106 -4.106 -4.604 1.00 0.00 C ATOM 0 H PHE A 25 -2.168 -4.462 0.884 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.929 -3.966 -0.012 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.879 -6.175 -0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.568 -6.426 -0.750 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.091 -3.659 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.955 -6.398 -2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.688 -2.793 -3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.573 -5.527 -5.231 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.934 -3.726 -5.600 1.00 0.00 H new ATOM 391 N TYR A 26 -5.012 -4.645 2.669 1.00 0.00 N ATOM 392 CA TYR A 26 -5.596 -5.210 3.881 1.00 0.00 C ATOM 393 C TYR A 26 -6.884 -5.963 3.569 1.00 0.00 C ATOM 394 O TYR A 26 -7.681 -5.529 2.741 1.00 0.00 O ATOM 395 CB TYR A 26 -5.866 -4.102 4.906 1.00 0.00 C ATOM 396 CG TYR A 26 -6.547 -2.878 4.324 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.770 -2.977 3.669 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.961 -1.622 4.426 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.386 -1.864 3.134 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.572 -0.505 3.899 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.785 -0.630 3.254 1.00 0.00 C ATOM 402 OH TYR A 26 -8.396 0.482 2.721 1.00 0.00 O ATOM 0 H TYR A 26 -4.784 -3.653 2.736 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.882 -5.918 4.303 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.487 -4.505 5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.921 -3.800 5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.246 -3.942 3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.010 -1.520 4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.333 -1.960 2.624 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.103 0.464 3.990 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.331 0.274 2.513 1.00 0.00 H new ATOM 412 N ALA A 27 -7.088 -7.094 4.233 1.00 0.00 N ATOM 413 CA ALA A 27 -8.288 -7.889 4.013 1.00 0.00 C ATOM 414 C ALA A 27 -9.528 -7.098 4.395 1.00 0.00 C ATOM 415 O ALA A 27 -9.455 -6.154 5.183 1.00 0.00 O ATOM 416 CB ALA A 27 -8.228 -9.186 4.804 1.00 0.00 C ATOM 0 H ALA A 27 -6.443 -7.479 4.923 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.343 -8.134 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.135 -9.764 4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.360 -9.765 4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.146 -8.960 5.867 1.00 0.00 H new ATOM 422 N THR A 28 -10.666 -7.483 3.836 1.00 0.00 N ATOM 423 CA THR A 28 -11.919 -6.800 4.128 1.00 0.00 C ATOM 424 C THR A 28 -12.553 -7.324 5.417 1.00 0.00 C ATOM 425 O THR A 28 -13.664 -6.929 5.772 1.00 0.00 O ATOM 426 CB THR A 28 -12.901 -6.974 2.975 1.00 0.00 C ATOM 427 OG1 THR A 28 -14.151 -6.391 3.302 1.00 0.00 O ATOM 428 CG2 THR A 28 -13.151 -8.421 2.612 1.00 0.00 C ATOM 0 H THR A 28 -10.748 -8.261 3.181 1.00 0.00 H new ATOM 0 HA THR A 28 -11.692 -5.742 4.258 1.00 0.00 H new ATOM 0 HB THR A 28 -12.440 -6.480 2.120 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.172 -6.176 4.258 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.859 -8.472 1.785 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.212 -8.889 2.316 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.562 -8.947 3.474 1.00 0.00 H new ATOM 436 N TRP A 29 -11.857 -8.226 6.103 1.00 0.00 N ATOM 437 CA TRP A 29 -12.370 -8.814 7.337 1.00 0.00 C ATOM 438 C TRP A 29 -11.401 -8.632 8.503 1.00 0.00 C ATOM 439 O TRP A 29 -11.810 -8.259 9.603 1.00 0.00 O ATOM 440 CB TRP A 29 -12.640 -10.304 7.127 1.00 0.00 C ATOM 441 CG TRP A 29 -11.544 -10.988 6.372 1.00 0.00 C ATOM 442 CD1 TRP A 29 -11.385 -11.025 5.017 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.433 -11.696 6.927 1.00 0.00 C ATOM 444 NE1 TRP A 29 -10.255 -11.736 4.694 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.651 -12.154 5.852 1.00 0.00 C ATOM 446 CE3 TRP A 29 -10.028 -11.993 8.231 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -8.486 -12.890 6.037 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -8.870 -12.723 8.417 1.00 0.00 C ATOM 449 CH2 TRP A 29 -8.109 -13.165 7.326 1.00 0.00 C ATOM 0 H TRP A 29 -10.936 -8.566 5.826 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.296 -8.296 7.587 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.764 -10.787 8.096 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.579 -10.427 6.587 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -12.050 -10.563 4.303 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.920 -11.922 3.749 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.609 -11.658 9.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.900 -13.232 5.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.546 -12.957 9.420 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.208 -13.733 7.504 1.00 0.00 H new ATOM 460 N CYS A 30 -10.121 -8.917 8.266 1.00 0.00 N ATOM 461 CA CYS A 30 -9.102 -8.803 9.312 1.00 0.00 C ATOM 462 C CYS A 30 -9.269 -7.515 10.115 1.00 0.00 C ATOM 463 O CYS A 30 -9.354 -6.424 9.549 1.00 0.00 O ATOM 464 CB CYS A 30 -7.697 -8.850 8.711 1.00 0.00 C ATOM 465 SG CYS A 30 -6.386 -9.035 9.943 1.00 0.00 S ATOM 0 H CYS A 30 -9.764 -9.228 7.362 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.234 -9.652 9.983 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.641 -9.679 8.006 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.523 -7.936 8.143 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.862 -10.221 9.844 1.00 0.00 H new ATOM 471 N GLY A 31 -9.320 -7.652 11.435 1.00 0.00 N ATOM 472 CA GLY A 31 -9.481 -6.498 12.298 1.00 0.00 C ATOM 473 C GLY A 31 -8.203 -5.691 12.454 1.00 0.00 C ATOM 474 O GLY A 31 -8.149 -4.531 12.044 1.00 0.00 O ATOM 0 H GLY A 31 -9.252 -8.545 11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.263 -5.855 11.894 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.817 -6.830 13.280 1.00 0.00 H new ATOM 478 N PRO A 32 -7.148 -6.277 13.052 1.00 0.00 N ATOM 479 CA PRO A 32 -5.867 -5.601 13.270 1.00 0.00 C ATOM 480 C PRO A 32 -5.421 -4.758 12.076 1.00 0.00 C ATOM 481 O PRO A 32 -4.708 -3.766 12.241 1.00 0.00 O ATOM 482 CB PRO A 32 -4.879 -6.756 13.511 1.00 0.00 C ATOM 483 CG PRO A 32 -5.673 -8.021 13.392 1.00 0.00 C ATOM 484 CD PRO A 32 -7.115 -7.643 13.576 1.00 0.00 C ATOM 0 HA PRO A 32 -5.930 -4.894 14.098 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.070 -6.735 12.781 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.421 -6.676 14.497 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.516 -8.487 12.419 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.363 -8.745 14.146 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.783 -8.306 13.026 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.416 -7.685 14.623 1.00 0.00 H new ATOM 492 N CYS A 33 -5.839 -5.149 10.876 1.00 0.00 N ATOM 493 CA CYS A 33 -5.472 -4.419 9.666 1.00 0.00 C ATOM 494 C CYS A 33 -5.992 -2.982 9.691 1.00 0.00 C ATOM 495 O CYS A 33 -5.564 -2.151 8.889 1.00 0.00 O ATOM 496 CB CYS A 33 -6.001 -5.136 8.423 1.00 0.00 C ATOM 497 SG CYS A 33 -5.130 -6.669 8.030 1.00 0.00 S ATOM 0 H CYS A 33 -6.430 -5.964 10.715 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.383 -4.386 9.628 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.058 -5.358 8.567 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.930 -4.461 7.570 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.439 -7.580 8.904 1.00 0.00 H new ATOM 503 N LYS A 34 -6.918 -2.685 10.601 1.00 0.00 N ATOM 504 CA LYS A 34 -7.479 -1.341 10.690 1.00 0.00 C ATOM 505 C LYS A 34 -6.530 -0.396 11.415 1.00 0.00 C ATOM 506 O LYS A 34 -6.549 0.813 11.183 1.00 0.00 O ATOM 507 CB LYS A 34 -8.849 -1.369 11.383 1.00 0.00 C ATOM 508 CG LYS A 34 -8.809 -1.800 12.843 1.00 0.00 C ATOM 509 CD LYS A 34 -8.473 -0.639 13.772 1.00 0.00 C ATOM 510 CE LYS A 34 -8.539 -1.060 15.230 1.00 0.00 C ATOM 511 NZ LYS A 34 -8.209 0.066 16.147 1.00 0.00 N ATOM 0 H LYS A 34 -7.291 -3.349 11.279 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.614 -0.967 9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.293 -0.375 11.323 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.505 -2.045 10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.775 -2.221 13.123 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.069 -2.590 12.968 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.475 -0.266 13.544 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.168 0.182 13.597 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.538 -1.432 15.456 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.846 -1.884 15.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.743 -0.306 16.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.570 0.730 15.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.083 0.561 16.418 1.00 0.00 H new ATOM 525 N MET A 35 -5.683 -0.951 12.277 1.00 0.00 N ATOM 526 CA MET A 35 -4.711 -0.145 13.007 1.00 0.00 C ATOM 527 C MET A 35 -3.561 0.262 12.086 1.00 0.00 C ATOM 528 O MET A 35 -2.611 0.919 12.512 1.00 0.00 O ATOM 529 CB MET A 35 -4.169 -0.924 14.207 1.00 0.00 C ATOM 530 CG MET A 35 -5.245 -1.335 15.202 1.00 0.00 C ATOM 531 SD MET A 35 -4.579 -2.256 16.601 1.00 0.00 S ATOM 532 CE MET A 35 -3.853 -3.665 15.766 1.00 0.00 C ATOM 0 H MET A 35 -5.650 -1.949 12.486 1.00 0.00 H new ATOM 0 HA MET A 35 -5.209 0.755 13.368 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.657 -1.817 13.849 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.425 -0.314 14.720 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.756 -0.444 15.568 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.992 -1.944 14.693 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.189 -4.585 16.245 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.161 -3.667 14.720 1.00 0.00 H new ATOM 0 HE3 MET A 35 -2.766 -3.602 15.824 1.00 0.00 H new ATOM 542 N ILE A 36 -3.657 -0.144 10.823 1.00 0.00 N ATOM 543 CA ILE A 36 -2.646 0.152 9.824 1.00 0.00 C ATOM 544 C ILE A 36 -2.776 1.574 9.288 1.00 0.00 C ATOM 545 O ILE A 36 -1.782 2.282 9.143 1.00 0.00 O ATOM 546 CB ILE A 36 -2.772 -0.832 8.657 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.808 -2.260 9.191 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.632 -0.645 7.676 1.00 0.00 C ATOM 549 CD1 ILE A 36 -1.528 -2.687 9.869 1.00 0.00 C ATOM 0 H ILE A 36 -4.442 -0.689 10.467 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.672 0.055 10.303 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.702 -0.636 8.124 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.632 -2.353 9.898 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.017 -2.942 8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.739 -1.353 6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.653 0.372 7.284 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.683 -0.819 8.183 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.628 -3.713 10.223 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.703 -2.627 9.159 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.328 -2.030 10.715 1.00 0.00 H new ATOM 561 N ALA A 37 -4.008 1.984 8.993 1.00 0.00 N ATOM 562 CA ALA A 37 -4.274 3.324 8.469 1.00 0.00 C ATOM 563 C ALA A 37 -3.447 4.394 9.183 1.00 0.00 C ATOM 564 O ALA A 37 -2.833 5.241 8.534 1.00 0.00 O ATOM 565 CB ALA A 37 -5.757 3.644 8.573 1.00 0.00 C ATOM 0 H ALA A 37 -4.841 1.406 9.108 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.977 3.331 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.942 4.644 8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.328 2.916 7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.066 3.602 9.617 1.00 0.00 H new ATOM 571 N PRO A 38 -3.405 4.372 10.529 1.00 0.00 N ATOM 572 CA PRO A 38 -2.632 5.346 11.289 1.00 0.00 C ATOM 573 C PRO A 38 -1.141 5.061 11.194 1.00 0.00 C ATOM 574 O PRO A 38 -0.318 5.974 11.273 1.00 0.00 O ATOM 575 CB PRO A 38 -3.138 5.180 12.722 1.00 0.00 C ATOM 576 CG PRO A 38 -3.669 3.789 12.795 1.00 0.00 C ATOM 577 CD PRO A 38 -4.085 3.396 11.400 1.00 0.00 C ATOM 0 HA PRO A 38 -2.757 6.363 10.916 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.334 5.332 13.443 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.915 5.910 12.952 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.909 3.107 13.176 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.517 3.736 13.478 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.781 2.375 11.167 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.167 3.442 11.280 1.00 0.00 H new ATOM 585 N MET A 39 -0.796 3.792 10.991 1.00 0.00 N ATOM 586 CA MET A 39 0.598 3.401 10.849 1.00 0.00 C ATOM 587 C MET A 39 1.094 3.840 9.478 1.00 0.00 C ATOM 588 O MET A 39 2.124 4.498 9.360 1.00 0.00 O ATOM 589 CB MET A 39 0.747 1.886 11.012 1.00 0.00 C ATOM 590 CG MET A 39 2.191 1.418 11.101 1.00 0.00 C ATOM 591 SD MET A 39 3.037 2.056 12.562 1.00 0.00 S ATOM 592 CE MET A 39 4.631 1.254 12.411 1.00 0.00 C ATOM 0 H MET A 39 -1.462 3.022 10.922 1.00 0.00 H new ATOM 0 HA MET A 39 1.194 3.883 11.624 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.217 1.573 11.912 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.265 1.390 10.169 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.216 0.328 11.118 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.728 1.735 10.207 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.794 0.604 13.271 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.654 0.660 11.497 1.00 0.00 H new ATOM 0 HE3 MET A 39 5.416 2.009 12.373 1.00 0.00 H new ATOM 602 N ILE A 40 0.325 3.494 8.449 1.00 0.00 N ATOM 603 CA ILE A 40 0.650 3.865 7.076 1.00 0.00 C ATOM 604 C ILE A 40 0.931 5.363 6.982 1.00 0.00 C ATOM 605 O ILE A 40 1.748 5.806 6.175 1.00 0.00 O ATOM 606 CB ILE A 40 -0.517 3.514 6.119 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.796 2.008 6.122 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.217 3.992 4.707 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.931 1.607 5.198 1.00 0.00 C ATOM 0 H ILE A 40 -0.534 2.953 8.543 1.00 0.00 H new ATOM 0 HA ILE A 40 1.538 3.304 6.782 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.409 4.028 6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.109 1.477 5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.034 1.691 7.137 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.049 3.735 4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.078 5.073 4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.692 3.511 4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.077 0.528 5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.847 2.111 5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.686 1.893 4.175 1.00 0.00 H new ATOM 621 N GLU A 41 0.241 6.132 7.815 1.00 0.00 N ATOM 622 CA GLU A 41 0.399 7.580 7.841 1.00 0.00 C ATOM 623 C GLU A 41 1.734 7.976 8.464 1.00 0.00 C ATOM 624 O GLU A 41 2.394 8.909 8.007 1.00 0.00 O ATOM 625 CB GLU A 41 -0.752 8.211 8.625 1.00 0.00 C ATOM 626 CG GLU A 41 -0.662 9.724 8.738 1.00 0.00 C ATOM 627 CD GLU A 41 -1.813 10.319 9.524 1.00 0.00 C ATOM 628 OE1 GLU A 41 -2.975 10.143 9.101 1.00 0.00 O ATOM 629 OE2 GLU A 41 -1.554 10.962 10.563 1.00 0.00 O ATOM 0 H GLU A 41 -0.438 5.773 8.486 1.00 0.00 H new ATOM 0 HA GLU A 41 0.383 7.946 6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.694 7.948 8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.775 7.782 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.279 9.993 9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.646 10.159 7.739 1.00 0.00 H new ATOM 636 N LYS A 42 2.120 7.262 9.515 1.00 0.00 N ATOM 637 CA LYS A 42 3.372 7.536 10.212 1.00 0.00 C ATOM 638 C LYS A 42 4.575 7.443 9.272 1.00 0.00 C ATOM 639 O LYS A 42 5.620 8.039 9.532 1.00 0.00 O ATOM 640 CB LYS A 42 3.543 6.565 11.383 1.00 0.00 C ATOM 641 CG LYS A 42 2.556 6.803 12.515 1.00 0.00 C ATOM 642 CD LYS A 42 2.662 5.740 13.602 1.00 0.00 C ATOM 643 CE LYS A 42 4.007 5.781 14.319 1.00 0.00 C ATOM 644 NZ LYS A 42 5.121 5.282 13.466 1.00 0.00 N ATOM 0 H LYS A 42 1.583 6.487 9.904 1.00 0.00 H new ATOM 0 HA LYS A 42 3.326 8.557 10.591 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.427 5.544 11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.558 6.651 11.772 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.735 7.786 12.951 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.542 6.812 12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.861 5.883 14.327 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.518 4.754 13.159 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.220 6.804 14.628 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.950 5.180 15.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.731 4.652 14.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.731 4.758 12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.680 6.087 13.119 1.00 0.00 H new ATOM 658 N PHE A 43 4.427 6.692 8.184 1.00 0.00 N ATOM 659 CA PHE A 43 5.512 6.526 7.221 1.00 0.00 C ATOM 660 C PHE A 43 5.467 7.584 6.122 1.00 0.00 C ATOM 661 O PHE A 43 6.454 7.794 5.414 1.00 0.00 O ATOM 662 CB PHE A 43 5.464 5.129 6.601 1.00 0.00 C ATOM 663 CG PHE A 43 5.741 4.031 7.584 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.897 3.824 8.659 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.847 3.209 7.435 1.00 0.00 C ATOM 666 CE1 PHE A 43 5.146 2.817 9.569 1.00 0.00 C ATOM 667 CE2 PHE A 43 7.103 2.199 8.342 1.00 0.00 C ATOM 668 CZ PHE A 43 6.249 2.003 9.411 1.00 0.00 C ATOM 0 H PHE A 43 3.571 6.191 7.948 1.00 0.00 H new ATOM 0 HA PHE A 43 6.449 6.650 7.764 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.481 4.970 6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.192 5.074 5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.032 4.458 8.788 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.516 3.360 6.601 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.478 2.666 10.404 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.968 1.564 8.216 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.445 1.214 10.122 1.00 0.00 H new ATOM 678 N SER A 44 4.328 8.249 5.978 1.00 0.00 N ATOM 679 CA SER A 44 4.176 9.280 4.956 1.00 0.00 C ATOM 680 C SER A 44 4.947 10.548 5.322 1.00 0.00 C ATOM 681 O SER A 44 5.050 11.472 4.515 1.00 0.00 O ATOM 682 CB SER A 44 2.696 9.609 4.753 1.00 0.00 C ATOM 683 OG SER A 44 2.530 10.620 3.772 1.00 0.00 O ATOM 0 H SER A 44 3.499 8.095 6.552 1.00 0.00 H new ATOM 0 HA SER A 44 4.590 8.890 4.026 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.158 8.711 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.260 9.938 5.696 1.00 0.00 H new ATOM 0 HG SER A 44 3.341 11.168 3.727 1.00 0.00 H new ATOM 689 N GLU A 45 5.487 10.591 6.538 1.00 0.00 N ATOM 690 CA GLU A 45 6.244 11.751 6.990 1.00 0.00 C ATOM 691 C GLU A 45 7.726 11.605 6.653 1.00 0.00 C ATOM 692 O GLU A 45 8.438 12.598 6.501 1.00 0.00 O ATOM 693 CB GLU A 45 6.069 11.941 8.499 1.00 0.00 C ATOM 694 CG GLU A 45 6.820 13.140 9.054 1.00 0.00 C ATOM 695 CD GLU A 45 6.630 13.304 10.550 1.00 0.00 C ATOM 696 OE1 GLU A 45 6.996 12.374 11.299 1.00 0.00 O ATOM 697 OE2 GLU A 45 6.117 14.362 10.971 1.00 0.00 O ATOM 0 H GLU A 45 5.414 9.839 7.223 1.00 0.00 H new ATOM 0 HA GLU A 45 5.859 12.628 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.008 12.053 8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.409 11.041 9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.882 13.032 8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.481 14.043 8.547 1.00 0.00 H new ATOM 704 N GLN A 46 8.186 10.363 6.547 1.00 0.00 N ATOM 705 CA GLN A 46 9.585 10.087 6.236 1.00 0.00 C ATOM 706 C GLN A 46 9.814 9.984 4.733 1.00 0.00 C ATOM 707 O GLN A 46 10.899 10.296 4.241 1.00 0.00 O ATOM 708 CB GLN A 46 10.031 8.796 6.921 1.00 0.00 C ATOM 709 CG GLN A 46 9.949 8.859 8.435 1.00 0.00 C ATOM 710 CD GLN A 46 10.389 7.568 9.097 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.526 7.127 8.931 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.484 6.954 9.852 1.00 0.00 N ATOM 0 H GLN A 46 7.610 9.530 6.672 1.00 0.00 H new ATOM 0 HA GLN A 46 10.180 10.920 6.610 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.413 7.972 6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.057 8.574 6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.571 9.678 8.795 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.924 9.084 8.731 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.553 7.356 9.961 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.720 6.080 10.322 1.00 0.00 H new ATOM 721 N TYR A 47 8.795 9.541 4.005 1.00 0.00 N ATOM 722 CA TYR A 47 8.903 9.396 2.557 1.00 0.00 C ATOM 723 C TYR A 47 7.787 10.160 1.853 1.00 0.00 C ATOM 724 O TYR A 47 7.064 9.608 1.023 1.00 0.00 O ATOM 725 CB TYR A 47 8.854 7.920 2.186 1.00 0.00 C ATOM 726 CG TYR A 47 9.906 7.096 2.887 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.209 7.035 2.411 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.593 6.385 4.037 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.170 6.283 3.059 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.548 5.630 4.692 1.00 0.00 C ATOM 731 CZ TYR A 47 11.834 5.580 4.198 1.00 0.00 C ATOM 732 OH TYR A 47 12.788 4.831 4.847 1.00 0.00 O ATOM 0 H TYR A 47 7.889 9.277 4.391 1.00 0.00 H new ATOM 0 HA TYR A 47 9.855 9.815 2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.869 7.523 2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.981 7.818 1.108 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.476 7.584 1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.586 6.422 4.427 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.179 6.246 2.676 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.288 5.082 5.586 1.00 0.00 H new ATOM 0 HH TYR A 47 12.531 3.886 4.827 1.00 0.00 H new ATOM 742 N PRO A 48 7.629 11.447 2.194 1.00 0.00 N ATOM 743 CA PRO A 48 6.595 12.305 1.616 1.00 0.00 C ATOM 744 C PRO A 48 6.512 12.197 0.097 1.00 0.00 C ATOM 745 O PRO A 48 5.456 12.422 -0.493 1.00 0.00 O ATOM 746 CB PRO A 48 7.001 13.726 2.041 1.00 0.00 C ATOM 747 CG PRO A 48 8.294 13.597 2.786 1.00 0.00 C ATOM 748 CD PRO A 48 8.438 12.155 3.187 1.00 0.00 C ATOM 0 HA PRO A 48 5.604 12.017 1.967 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.118 14.372 1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.234 14.176 2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.131 13.907 2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.297 14.242 3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.479 11.832 3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.075 11.981 4.200 1.00 0.00 H new ATOM 756 N GLN A 49 7.624 11.839 -0.529 1.00 0.00 N ATOM 757 CA GLN A 49 7.664 11.688 -1.982 1.00 0.00 C ATOM 758 C GLN A 49 6.842 10.480 -2.413 1.00 0.00 C ATOM 759 O GLN A 49 6.292 10.445 -3.512 1.00 0.00 O ATOM 760 CB GLN A 49 9.106 11.536 -2.475 1.00 0.00 C ATOM 761 CG GLN A 49 9.982 12.739 -2.169 1.00 0.00 C ATOM 762 CD GLN A 49 11.404 12.565 -2.663 1.00 0.00 C ATOM 763 OE1 GLN A 49 11.642 12.384 -3.858 1.00 0.00 O ATOM 764 NE2 GLN A 49 12.361 12.619 -1.743 1.00 0.00 N ATOM 0 H GLN A 49 8.509 11.648 -0.059 1.00 0.00 H new ATOM 0 HA GLN A 49 7.237 12.587 -2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.546 10.650 -2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.097 11.368 -3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.548 13.627 -2.629 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.994 12.911 -1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.119 12.771 -0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.338 12.509 -2.016 1.00 0.00 H new ATOM 773 N ALA A 50 6.761 9.488 -1.534 1.00 0.00 N ATOM 774 CA ALA A 50 6.007 8.278 -1.818 1.00 0.00 C ATOM 775 C ALA A 50 4.559 8.426 -1.370 1.00 0.00 C ATOM 776 O ALA A 50 4.281 8.973 -0.304 1.00 0.00 O ATOM 777 CB ALA A 50 6.655 7.086 -1.130 1.00 0.00 C ATOM 0 H ALA A 50 7.210 9.500 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 50 6.014 8.111 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.083 6.184 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.675 6.966 -1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.672 7.253 -0.053 1.00 0.00 H new ATOM 783 N ASP A 51 3.638 7.931 -2.189 1.00 0.00 N ATOM 784 CA ASP A 51 2.219 8.008 -1.870 1.00 0.00 C ATOM 785 C ASP A 51 1.790 6.783 -1.077 1.00 0.00 C ATOM 786 O ASP A 51 1.945 5.650 -1.530 1.00 0.00 O ATOM 787 CB ASP A 51 1.386 8.123 -3.147 1.00 0.00 C ATOM 788 CG ASP A 51 1.731 9.359 -3.959 1.00 0.00 C ATOM 789 OD1 ASP A 51 2.618 10.126 -3.526 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.115 9.559 -5.026 1.00 0.00 O ATOM 0 H ASP A 51 3.848 7.474 -3.076 1.00 0.00 H new ATOM 0 HA ASP A 51 2.051 8.898 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.542 7.235 -3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.328 8.148 -2.886 1.00 0.00 H new ATOM 795 N PHE A 52 1.262 7.019 0.115 1.00 0.00 N ATOM 796 CA PHE A 52 0.824 5.932 0.979 1.00 0.00 C ATOM 797 C PHE A 52 -0.680 5.717 0.890 1.00 0.00 C ATOM 798 O PHE A 52 -1.439 6.180 1.742 1.00 0.00 O ATOM 799 CB PHE A 52 1.234 6.206 2.423 1.00 0.00 C ATOM 800 CG PHE A 52 2.721 6.214 2.619 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.510 7.158 1.986 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.330 5.272 3.432 1.00 0.00 C ATOM 803 CE1 PHE A 52 4.881 7.164 2.158 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.699 5.273 3.609 1.00 0.00 C ATOM 805 CZ PHE A 52 5.477 6.219 2.971 1.00 0.00 C ATOM 0 H PHE A 52 1.127 7.951 0.506 1.00 0.00 H new ATOM 0 HA PHE A 52 1.311 5.019 0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.827 7.168 2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.792 5.449 3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.049 7.899 1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.727 4.529 3.933 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.486 7.906 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.162 4.534 4.246 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.548 6.220 3.107 1.00 0.00 H new ATOM 815 N TYR A 53 -1.102 4.995 -0.141 1.00 0.00 N ATOM 816 CA TYR A 53 -2.512 4.694 -0.343 1.00 0.00 C ATOM 817 C TYR A 53 -2.857 3.341 0.264 1.00 0.00 C ATOM 818 O TYR A 53 -2.022 2.710 0.910 1.00 0.00 O ATOM 819 CB TYR A 53 -2.850 4.704 -1.833 1.00 0.00 C ATOM 820 CG TYR A 53 -2.965 6.093 -2.422 1.00 0.00 C ATOM 821 CD1 TYR A 53 -4.021 6.926 -2.077 1.00 0.00 C ATOM 822 CD2 TYR A 53 -2.023 6.567 -3.326 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.137 8.191 -2.616 1.00 0.00 C ATOM 824 CE2 TYR A 53 -2.131 7.834 -3.870 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.190 8.642 -3.511 1.00 0.00 C ATOM 826 OH TYR A 53 -3.302 9.902 -4.051 1.00 0.00 O ATOM 0 H TYR A 53 -0.484 4.606 -0.853 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.104 5.462 0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.082 4.152 -2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.791 4.175 -1.987 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.764 6.578 -1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.193 5.936 -3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.966 8.825 -2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.391 8.189 -4.572 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.553 10.064 -4.662 1.00 0.00 H new ATOM 836 N LYS A 54 -4.092 2.901 0.061 1.00 0.00 N ATOM 837 CA LYS A 54 -4.539 1.623 0.596 1.00 0.00 C ATOM 838 C LYS A 54 -5.578 0.988 -0.320 1.00 0.00 C ATOM 839 O LYS A 54 -6.455 1.669 -0.852 1.00 0.00 O ATOM 840 CB LYS A 54 -5.102 1.817 2.004 1.00 0.00 C ATOM 841 CG LYS A 54 -4.108 2.455 2.963 1.00 0.00 C ATOM 842 CD LYS A 54 -4.730 2.745 4.322 1.00 0.00 C ATOM 843 CE LYS A 54 -5.894 3.715 4.207 1.00 0.00 C ATOM 844 NZ LYS A 54 -6.505 4.012 5.532 1.00 0.00 N ATOM 0 H LYS A 54 -4.800 3.409 -0.469 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.685 0.947 0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.995 2.440 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.411 0.850 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.252 1.793 3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.732 3.383 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.074 1.814 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.974 3.160 4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.549 4.643 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.651 3.296 3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.365 4.581 5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.750 3.121 6.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.827 4.542 6.116 1.00 0.00 H new ATOM 858 N LEU A 55 -5.459 -0.321 -0.519 1.00 0.00 N ATOM 859 CA LEU A 55 -6.373 -1.052 -1.390 1.00 0.00 C ATOM 860 C LEU A 55 -7.468 -1.749 -0.586 1.00 0.00 C ATOM 861 O LEU A 55 -7.222 -2.267 0.503 1.00 0.00 O ATOM 862 CB LEU A 55 -5.584 -2.072 -2.220 1.00 0.00 C ATOM 863 CG LEU A 55 -6.327 -2.662 -3.423 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.490 -3.533 -2.972 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.816 -1.551 -4.339 1.00 0.00 C ATOM 0 H LEU A 55 -4.737 -0.898 -0.088 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.859 -0.341 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.671 -1.595 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.281 -2.890 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.631 -3.291 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.000 -3.939 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.115 -4.351 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.189 -2.933 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.342 -1.985 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.493 -0.897 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.964 -0.973 -4.696 1.00 0.00 H new ATOM 877 N ASP A 56 -8.680 -1.752 -1.138 1.00 0.00 N ATOM 878 CA ASP A 56 -9.822 -2.381 -0.482 1.00 0.00 C ATOM 879 C ASP A 56 -9.988 -3.827 -0.943 1.00 0.00 C ATOM 880 O ASP A 56 -10.096 -4.097 -2.140 1.00 0.00 O ATOM 881 CB ASP A 56 -11.104 -1.594 -0.785 1.00 0.00 C ATOM 882 CG ASP A 56 -12.287 -2.082 0.025 1.00 0.00 C ATOM 883 OD1 ASP A 56 -12.649 -3.268 -0.108 1.00 0.00 O ATOM 884 OD2 ASP A 56 -12.853 -1.276 0.793 1.00 0.00 O ATOM 0 H ASP A 56 -8.895 -1.325 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.639 -2.377 0.593 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.936 -0.537 -0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.335 -1.677 -1.847 1.00 0.00 H new ATOM 889 N VAL A 57 -10.018 -4.756 0.009 1.00 0.00 N ATOM 890 CA VAL A 57 -10.183 -6.172 -0.306 1.00 0.00 C ATOM 891 C VAL A 57 -11.660 -6.568 -0.250 1.00 0.00 C ATOM 892 O VAL A 57 -12.022 -7.624 0.267 1.00 0.00 O ATOM 893 CB VAL A 57 -9.350 -7.062 0.648 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.607 -8.545 0.392 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.870 -6.751 0.485 1.00 0.00 C ATOM 0 H VAL A 57 -9.930 -4.554 1.005 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.816 -6.331 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.656 -6.842 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.007 -9.142 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.663 -8.764 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.335 -8.790 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.289 -7.381 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.568 -6.946 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.690 -5.703 0.723 1.00 0.00 H new ATOM 905 N ASP A 58 -12.505 -5.706 -0.801 1.00 0.00 N ATOM 906 CA ASP A 58 -13.942 -5.941 -0.838 1.00 0.00 C ATOM 907 C ASP A 58 -14.558 -5.219 -2.028 1.00 0.00 C ATOM 908 O ASP A 58 -15.330 -5.795 -2.794 1.00 0.00 O ATOM 909 CB ASP A 58 -14.606 -5.452 0.449 1.00 0.00 C ATOM 910 CG ASP A 58 -16.105 -5.693 0.460 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.627 -6.240 -0.534 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.756 -5.333 1.464 1.00 0.00 O ATOM 0 H ASP A 58 -12.215 -4.829 -1.233 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.108 -7.014 -0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.154 -5.958 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.412 -4.386 0.571 1.00 0.00 H new ATOM 917 N GLU A 59 -14.206 -3.945 -2.163 1.00 0.00 N ATOM 918 CA GLU A 59 -14.711 -3.117 -3.246 1.00 0.00 C ATOM 919 C GLU A 59 -14.024 -3.456 -4.565 1.00 0.00 C ATOM 920 O GLU A 59 -14.598 -3.274 -5.638 1.00 0.00 O ATOM 921 CB GLU A 59 -14.509 -1.638 -2.910 1.00 0.00 C ATOM 922 CG GLU A 59 -15.017 -0.696 -3.988 1.00 0.00 C ATOM 923 CD GLU A 59 -16.518 -0.790 -4.184 1.00 0.00 C ATOM 924 OE1 GLU A 59 -17.005 -1.887 -4.531 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.206 0.234 -3.991 1.00 0.00 O ATOM 0 H GLU A 59 -13.568 -3.463 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.776 -3.317 -3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.019 -1.414 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.447 -1.452 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.752 0.328 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.516 -0.923 -4.929 1.00 0.00 H new ATOM 932 N LEU A 60 -12.794 -3.951 -4.479 1.00 0.00 N ATOM 933 CA LEU A 60 -12.036 -4.319 -5.668 1.00 0.00 C ATOM 934 C LEU A 60 -12.024 -5.822 -5.861 1.00 0.00 C ATOM 935 O LEU A 60 -12.558 -6.347 -6.838 1.00 0.00 O ATOM 936 CB LEU A 60 -10.600 -3.796 -5.578 1.00 0.00 C ATOM 937 CG LEU A 60 -10.452 -2.284 -5.614 1.00 0.00 C ATOM 938 CD1 LEU A 60 -10.969 -1.772 -6.929 1.00 0.00 C ATOM 939 CD2 LEU A 60 -11.192 -1.639 -4.452 1.00 0.00 C ATOM 0 H LEU A 60 -12.302 -4.106 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.526 -3.862 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.154 -4.166 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.025 -4.220 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.398 -2.023 -5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.866 -0.687 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.396 -2.216 -7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.020 -2.040 -7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.071 -0.557 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.251 -1.889 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.784 -2.009 -3.511 1.00 0.00 H new ATOM 951 N GLY A 61 -11.410 -6.498 -4.916 1.00 0.00 N ATOM 952 CA GLY A 61 -11.317 -7.945 -4.964 1.00 0.00 C ATOM 953 C GLY A 61 -10.402 -8.435 -6.070 1.00 0.00 C ATOM 954 O GLY A 61 -9.395 -9.094 -5.808 1.00 0.00 O ATOM 0 H GLY A 61 -10.966 -6.071 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.952 -8.314 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.313 -8.365 -5.109 1.00 0.00 H new ATOM 958 N ASP A 62 -10.754 -8.113 -7.312 1.00 0.00 N ATOM 959 CA ASP A 62 -9.967 -8.526 -8.470 1.00 0.00 C ATOM 960 C ASP A 62 -8.491 -8.168 -8.308 1.00 0.00 C ATOM 961 O ASP A 62 -7.616 -8.921 -8.732 1.00 0.00 O ATOM 962 CB ASP A 62 -10.516 -7.883 -9.733 1.00 0.00 C ATOM 963 CG ASP A 62 -11.959 -8.265 -10.004 1.00 0.00 C ATOM 964 OD1 ASP A 62 -12.532 -9.033 -9.202 1.00 0.00 O ATOM 965 OD2 ASP A 62 -12.517 -7.795 -11.018 1.00 0.00 O ATOM 0 H ASP A 62 -11.583 -7.565 -7.543 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.043 -9.610 -8.549 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.441 -6.799 -9.646 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.901 -8.178 -10.583 1.00 0.00 H new ATOM 970 N VAL A 63 -8.219 -7.018 -7.698 1.00 0.00 N ATOM 971 CA VAL A 63 -6.844 -6.574 -7.497 1.00 0.00 C ATOM 972 C VAL A 63 -6.146 -7.443 -6.451 1.00 0.00 C ATOM 973 O VAL A 63 -5.135 -8.082 -6.737 1.00 0.00 O ATOM 974 CB VAL A 63 -6.782 -5.090 -7.072 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.362 -4.558 -7.192 1.00 0.00 C ATOM 976 CG2 VAL A 63 -7.742 -4.246 -7.901 1.00 0.00 C ATOM 0 H VAL A 63 -8.928 -6.380 -7.336 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.326 -6.676 -8.451 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.088 -5.024 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.339 -3.511 -6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.701 -5.138 -6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.028 -4.643 -8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.680 -3.205 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.474 -4.320 -8.955 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.760 -4.608 -7.759 1.00 0.00 H new ATOM 986 N ALA A 64 -6.704 -7.493 -5.242 1.00 0.00 N ATOM 987 CA ALA A 64 -6.137 -8.321 -4.175 1.00 0.00 C ATOM 988 C ALA A 64 -5.947 -9.753 -4.668 1.00 0.00 C ATOM 989 O ALA A 64 -5.103 -10.492 -4.160 1.00 0.00 O ATOM 990 CB ALA A 64 -7.044 -8.299 -2.953 1.00 0.00 C ATOM 0 H ALA A 64 -7.542 -6.975 -4.977 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.165 -7.915 -3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.611 -8.918 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.145 -7.275 -2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.026 -8.688 -3.222 1.00 0.00 H new ATOM 996 N GLN A 65 -6.738 -10.134 -5.672 1.00 0.00 N ATOM 997 CA GLN A 65 -6.664 -11.469 -6.248 1.00 0.00 C ATOM 998 C GLN A 65 -5.670 -11.518 -7.406 1.00 0.00 C ATOM 999 O GLN A 65 -4.959 -12.509 -7.579 1.00 0.00 O ATOM 1000 CB GLN A 65 -8.047 -11.917 -6.730 1.00 0.00 C ATOM 1001 CG GLN A 65 -8.059 -13.312 -7.333 1.00 0.00 C ATOM 1002 CD GLN A 65 -9.436 -13.729 -7.810 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -10.028 -13.083 -8.676 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -9.955 -14.813 -7.246 1.00 0.00 N ATOM 0 H GLN A 65 -7.439 -9.531 -6.102 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.316 -12.149 -5.470 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.742 -11.887 -5.891 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.412 -11.206 -7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.362 -13.348 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.703 -14.027 -6.592 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.430 -15.318 -6.532 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.879 -15.141 -7.526 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.620 -10.450 -8.204 1.00 0.00 N ATOM 1014 CA LYS A 66 -4.704 -10.402 -9.342 1.00 0.00 C ATOM 1015 C LYS A 66 -3.264 -10.522 -8.854 1.00 0.00 C ATOM 1016 O LYS A 66 -2.487 -11.328 -9.368 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.896 -9.114 -10.160 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.161 -7.896 -9.616 1.00 0.00 C ATOM 1019 CD LYS A 66 -4.338 -6.691 -10.524 1.00 0.00 C ATOM 1020 CE LYS A 66 -3.545 -5.490 -10.029 1.00 0.00 C ATOM 1021 NZ LYS A 66 -2.076 -5.733 -10.071 1.00 0.00 N ATOM 0 H LYS A 66 -6.196 -9.617 -8.085 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.927 -11.243 -9.998 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.562 -9.296 -11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.961 -8.886 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.533 -7.660 -8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.100 -8.125 -9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.018 -6.947 -11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.395 -6.431 -10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.786 -4.620 -10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.844 -5.255 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.579 -4.932 -9.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.853 -6.606 -9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.769 -5.831 -11.060 1.00 0.00 H new ATOM 1035 N ASN A 67 -2.921 -9.724 -7.848 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.595 -9.742 -7.270 1.00 0.00 C ATOM 1037 C ASN A 67 -1.421 -10.955 -6.356 1.00 0.00 C ATOM 1038 O ASN A 67 -0.321 -11.231 -5.878 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.371 -8.456 -6.484 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.403 -7.224 -7.368 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.606 -7.091 -8.295 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.329 -6.315 -7.082 1.00 0.00 N ATOM 0 H ASN A 67 -3.556 -9.052 -7.417 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.859 -9.813 -8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.137 -8.367 -5.713 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.409 -8.508 -5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.399 -5.465 -7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.970 -6.467 -6.303 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.518 -11.674 -6.119 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.501 -12.856 -5.267 1.00 0.00 C ATOM 1051 C GLU A 68 -2.193 -12.489 -3.819 1.00 0.00 C ATOM 1052 O GLU A 68 -1.408 -13.164 -3.154 1.00 0.00 O ATOM 1053 CB GLU A 68 -1.477 -13.871 -5.782 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.739 -14.327 -7.207 1.00 0.00 C ATOM 1055 CD GLU A 68 -0.711 -15.325 -7.702 1.00 0.00 C ATOM 1056 OE1 GLU A 68 0.213 -15.661 -6.929 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -0.826 -15.771 -8.862 1.00 0.00 O ATOM 0 H GLU A 68 -3.434 -11.454 -6.510 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.494 -13.305 -5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.482 -13.430 -5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.477 -14.741 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.731 -14.775 -7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.743 -13.459 -7.867 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.818 -11.419 -3.331 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.599 -10.985 -1.958 1.00 0.00 C ATOM 1066 C VAL A 69 -3.815 -11.288 -1.088 1.00 0.00 C ATOM 1067 O VAL A 69 -4.574 -10.388 -0.727 1.00 0.00 O ATOM 1068 CB VAL A 69 -2.288 -9.480 -1.883 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -2.002 -9.066 -0.447 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -1.119 -9.130 -2.791 1.00 0.00 C ATOM 0 H VAL A 69 -3.473 -10.844 -3.861 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.739 -11.541 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.162 -8.928 -2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.784 -7.999 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.873 -9.279 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.144 -9.624 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.914 -8.062 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.237 -9.689 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.368 -9.388 -3.820 1.00 0.00 H new ATOM 1080 N SER A 70 -3.990 -12.559 -0.749 1.00 0.00 N ATOM 1081 CA SER A 70 -5.109 -12.974 0.087 1.00 0.00 C ATOM 1082 C SER A 70 -4.790 -12.774 1.567 1.00 0.00 C ATOM 1083 O SER A 70 -5.674 -12.866 2.418 1.00 0.00 O ATOM 1084 CB SER A 70 -5.462 -14.438 -0.177 1.00 0.00 C ATOM 1085 OG SER A 70 -4.385 -15.292 0.164 1.00 0.00 O ATOM 0 H SER A 70 -3.374 -13.318 -1.039 1.00 0.00 H new ATOM 0 HA SER A 70 -5.966 -12.351 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.345 -14.712 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.716 -14.570 -1.229 1.00 0.00 H new ATOM 0 HG SER A 70 -4.637 -16.223 -0.013 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.520 -12.497 1.868 1.00 0.00 N ATOM 1092 CA ALA A 71 -3.092 -12.278 3.245 1.00 0.00 C ATOM 1093 C ALA A 71 -3.869 -11.128 3.875 1.00 0.00 C ATOM 1094 O ALA A 71 -4.910 -10.722 3.359 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.598 -12.003 3.295 1.00 0.00 C ATOM 0 H ALA A 71 -2.774 -12.420 1.177 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.299 -13.182 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.292 -11.841 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.057 -12.856 2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.372 -11.114 2.706 1.00 0.00 H new ATOM 1101 N MET A 72 -3.367 -10.602 4.990 1.00 0.00 N ATOM 1102 CA MET A 72 -4.039 -9.501 5.665 1.00 0.00 C ATOM 1103 C MET A 72 -3.269 -9.019 6.899 1.00 0.00 C ATOM 1104 O MET A 72 -3.254 -9.691 7.929 1.00 0.00 O ATOM 1105 CB MET A 72 -5.462 -9.906 6.064 1.00 0.00 C ATOM 1106 CG MET A 72 -5.551 -11.060 7.054 1.00 0.00 C ATOM 1107 SD MET A 72 -5.052 -12.654 6.366 1.00 0.00 S ATOM 1108 CE MET A 72 -3.318 -12.707 6.813 1.00 0.00 C ATOM 0 H MET A 72 -2.507 -10.918 5.439 1.00 0.00 H new ATOM 0 HA MET A 72 -4.081 -8.672 4.958 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.963 -9.039 6.494 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.012 -10.177 5.163 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.924 -10.835 7.917 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.576 -11.137 7.417 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.723 -12.957 5.934 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.011 -11.733 7.194 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.164 -13.463 7.583 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.617 -7.838 6.825 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.586 -6.981 5.638 1.00 0.00 C ATOM 1120 C PRO A 73 -1.420 -7.309 4.707 1.00 0.00 C ATOM 1121 O PRO A 73 -0.785 -8.356 4.838 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.396 -5.604 6.254 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.504 -5.858 7.418 1.00 0.00 C ATOM 1124 CD PRO A 73 -1.844 -7.240 7.926 1.00 0.00 C ATOM 0 HA PRO A 73 -3.475 -7.089 5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.944 -4.908 5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.346 -5.170 6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.456 -5.800 7.124 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.659 -5.110 8.196 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.946 -7.818 8.145 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.427 -7.196 8.846 1.00 0.00 H new ATOM 1132 N THR A 74 -1.136 -6.403 3.774 1.00 0.00 N ATOM 1133 CA THR A 74 -0.037 -6.588 2.828 1.00 0.00 C ATOM 1134 C THR A 74 0.506 -5.242 2.358 1.00 0.00 C ATOM 1135 O THR A 74 -0.145 -4.212 2.513 1.00 0.00 O ATOM 1136 CB THR A 74 -0.495 -7.413 1.622 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.904 -8.712 2.023 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.579 -7.560 0.555 1.00 0.00 C ATOM 0 H THR A 74 -1.652 -5.532 3.652 1.00 0.00 H new ATOM 0 HA THR A 74 0.759 -7.127 3.342 1.00 0.00 H new ATOM 0 HB THR A 74 -1.331 -6.862 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.875 -8.722 2.157 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.191 -8.155 -0.272 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.866 -6.574 0.190 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.450 -8.057 0.982 1.00 0.00 H new ATOM 1146 N LEU A 75 1.704 -5.258 1.780 1.00 0.00 N ATOM 1147 CA LEU A 75 2.328 -4.038 1.285 1.00 0.00 C ATOM 1148 C LEU A 75 2.775 -4.199 -0.165 1.00 0.00 C ATOM 1149 O LEU A 75 3.591 -5.067 -0.481 1.00 0.00 O ATOM 1150 CB LEU A 75 3.530 -3.668 2.156 1.00 0.00 C ATOM 1151 CG LEU A 75 3.212 -3.419 3.631 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.471 -3.019 4.378 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.139 -2.351 3.773 1.00 0.00 C ATOM 0 H LEU A 75 2.260 -6.102 1.644 1.00 0.00 H new ATOM 0 HA LEU A 75 1.587 -3.240 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.267 -4.468 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.995 -2.772 1.745 1.00 0.00 H new ATOM 0 HG LEU A 75 2.830 -4.342 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.232 -2.844 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.208 -3.818 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.878 -2.107 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.926 -2.187 4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.490 -1.421 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.231 -2.678 3.266 1.00 0.00 H new ATOM 1165 N LEU A 76 2.245 -3.352 -1.042 1.00 0.00 N ATOM 1166 CA LEU A 76 2.595 -3.396 -2.457 1.00 0.00 C ATOM 1167 C LEU A 76 3.236 -2.082 -2.897 1.00 0.00 C ATOM 1168 O LEU A 76 2.658 -1.010 -2.725 1.00 0.00 O ATOM 1169 CB LEU A 76 1.358 -3.698 -3.312 1.00 0.00 C ATOM 1170 CG LEU A 76 0.778 -5.107 -3.139 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.246 -5.400 -4.224 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.885 -6.151 -3.154 1.00 0.00 C ATOM 0 H LEU A 76 1.571 -2.627 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 76 3.319 -4.198 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.583 -2.970 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.616 -3.554 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 76 0.278 -5.153 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.646 -6.404 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.057 -4.674 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.230 -5.332 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.451 -7.143 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.417 -6.104 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.581 -5.955 -2.339 1.00 0.00 H new ATOM 1184 N LEU A 77 4.440 -2.176 -3.456 1.00 0.00 N ATOM 1185 CA LEU A 77 5.168 -0.996 -3.912 1.00 0.00 C ATOM 1186 C LEU A 77 5.238 -0.947 -5.435 1.00 0.00 C ATOM 1187 O LEU A 77 5.508 -1.956 -6.088 1.00 0.00 O ATOM 1188 CB LEU A 77 6.581 -0.982 -3.321 1.00 0.00 C ATOM 1189 CG LEU A 77 6.649 -0.871 -1.797 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.008 -2.084 -1.138 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.091 -0.715 -1.339 1.00 0.00 C ATOM 0 H LEU A 77 4.932 -3.057 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 77 4.628 -0.114 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.094 -1.894 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.131 -0.147 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 77 6.092 0.015 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.068 -1.983 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.963 -2.152 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.534 -2.987 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.121 -0.637 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.670 -1.582 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.517 0.187 -1.779 1.00 0.00 H new ATOM 1203 N PHE A 78 4.987 0.236 -5.991 1.00 0.00 N ATOM 1204 CA PHE A 78 5.010 0.434 -7.438 1.00 0.00 C ATOM 1205 C PHE A 78 5.746 1.729 -7.793 1.00 0.00 C ATOM 1206 O PHE A 78 5.434 2.788 -7.249 1.00 0.00 O ATOM 1207 CB PHE A 78 3.578 0.509 -7.972 1.00 0.00 C ATOM 1208 CG PHE A 78 2.696 -0.618 -7.513 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.891 -1.911 -7.972 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.665 -0.380 -6.616 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.075 -2.943 -7.547 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.848 -1.408 -6.188 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.052 -2.689 -6.652 1.00 0.00 C ATOM 0 H PHE A 78 4.764 1.076 -5.458 1.00 0.00 H new ATOM 0 HA PHE A 78 5.532 -0.408 -7.892 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.134 1.455 -7.661 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.607 0.514 -9.062 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.690 -2.115 -8.670 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.499 0.622 -6.248 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.236 -3.946 -7.913 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.049 -1.208 -5.489 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.414 -3.494 -6.317 1.00 0.00 H new ATOM 1223 N LYS A 79 6.711 1.654 -8.711 1.00 0.00 N ATOM 1224 CA LYS A 79 7.456 2.849 -9.119 1.00 0.00 C ATOM 1225 C LYS A 79 7.184 3.190 -10.582 1.00 0.00 C ATOM 1226 O LYS A 79 7.383 2.358 -11.464 1.00 0.00 O ATOM 1227 CB LYS A 79 8.958 2.654 -8.898 1.00 0.00 C ATOM 1228 CG LYS A 79 9.383 2.782 -7.444 1.00 0.00 C ATOM 1229 CD LYS A 79 10.830 2.353 -7.230 1.00 0.00 C ATOM 1230 CE LYS A 79 11.811 3.258 -7.962 1.00 0.00 C ATOM 1231 NZ LYS A 79 11.760 3.071 -9.440 1.00 0.00 N ATOM 0 H LYS A 79 6.993 0.793 -9.181 1.00 0.00 H new ATOM 0 HA LYS A 79 7.115 3.679 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.246 1.669 -9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.502 3.388 -9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.260 3.816 -7.120 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.729 2.173 -6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.056 2.362 -6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.958 1.327 -7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.591 4.298 -7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.822 3.056 -7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.728 3.017 -9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.253 2.190 -9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.263 3.875 -9.875 1.00 0.00 H new ATOM 1245 N ASN A 80 6.724 4.420 -10.839 1.00 0.00 N ATOM 1246 CA ASN A 80 6.422 4.855 -12.204 1.00 0.00 C ATOM 1247 C ASN A 80 5.665 3.774 -12.974 1.00 0.00 C ATOM 1248 O ASN A 80 6.260 3.012 -13.732 1.00 0.00 O ATOM 1249 CB ASN A 80 7.708 5.219 -12.947 1.00 0.00 C ATOM 1250 CG ASN A 80 8.411 6.414 -12.337 1.00 0.00 C ATOM 1251 OD1 ASN A 80 8.835 6.377 -11.181 1.00 0.00 O ATOM 1252 ND2 ASN A 80 8.532 7.487 -13.111 1.00 0.00 N ATOM 0 H ASN A 80 6.554 5.127 -10.123 1.00 0.00 H new ATOM 0 HA ASN A 80 5.786 5.738 -12.138 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.382 4.363 -12.941 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.473 5.433 -13.990 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.991 8.325 -12.753 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.166 7.473 -14.063 1.00 0.00 H new ATOM 1259 N GLY A 81 4.349 3.723 -12.769 1.00 0.00 N ATOM 1260 CA GLY A 81 3.500 2.743 -13.434 1.00 0.00 C ATOM 1261 C GLY A 81 4.168 1.400 -13.672 1.00 0.00 C ATOM 1262 O GLY A 81 4.082 0.842 -14.766 1.00 0.00 O ATOM 0 H GLY A 81 3.848 4.354 -12.143 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.603 2.589 -12.834 1.00 0.00 H new ATOM 0 HA3 GLY A 81 3.176 3.150 -14.392 1.00 0.00 H new ATOM 1266 N LYS A 82 4.823 0.881 -12.646 1.00 0.00 N ATOM 1267 CA LYS A 82 5.496 -0.404 -12.734 1.00 0.00 C ATOM 1268 C LYS A 82 5.435 -1.111 -11.384 1.00 0.00 C ATOM 1269 O LYS A 82 4.574 -0.806 -10.558 1.00 0.00 O ATOM 1270 CB LYS A 82 6.946 -0.205 -13.198 1.00 0.00 C ATOM 1271 CG LYS A 82 7.061 0.312 -14.623 1.00 0.00 C ATOM 1272 CD LYS A 82 6.529 -0.699 -15.628 1.00 0.00 C ATOM 1273 CE LYS A 82 6.640 -0.179 -17.052 1.00 0.00 C ATOM 1274 NZ LYS A 82 8.048 0.123 -17.427 1.00 0.00 N ATOM 0 H LYS A 82 4.903 1.335 -11.736 1.00 0.00 H new ATOM 0 HA LYS A 82 4.992 -1.032 -13.469 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.442 0.495 -12.525 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.478 -1.153 -13.120 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.508 1.246 -14.718 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.104 0.535 -14.847 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.085 -1.632 -15.536 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.487 -0.925 -15.402 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.232 -0.919 -17.741 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.036 0.722 -17.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.114 0.244 -18.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.353 0.998 -16.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.662 -0.662 -17.131 1.00 0.00 H new ATOM 1288 N GLU A 83 6.335 -2.052 -11.160 1.00 0.00 N ATOM 1289 CA GLU A 83 6.366 -2.792 -9.911 1.00 0.00 C ATOM 1290 C GLU A 83 7.579 -2.365 -9.090 1.00 0.00 C ATOM 1291 O GLU A 83 8.397 -1.568 -9.553 1.00 0.00 O ATOM 1292 CB GLU A 83 6.410 -4.297 -10.216 1.00 0.00 C ATOM 1293 CG GLU A 83 6.361 -5.195 -8.990 1.00 0.00 C ATOM 1294 CD GLU A 83 6.205 -6.660 -9.348 1.00 0.00 C ATOM 1295 OE1 GLU A 83 5.190 -7.009 -9.987 1.00 0.00 O ATOM 1296 OE2 GLU A 83 7.098 -7.455 -8.991 1.00 0.00 O ATOM 0 H GLU A 83 7.056 -2.322 -11.829 1.00 0.00 H new ATOM 0 HA GLU A 83 5.469 -2.579 -9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.572 -4.547 -10.866 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.321 -4.515 -10.773 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.274 -5.062 -8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.531 -4.890 -8.353 1.00 0.00 H new ATOM 1303 N VAL A 84 7.678 -2.866 -7.863 1.00 0.00 N ATOM 1304 CA VAL A 84 8.786 -2.523 -6.986 1.00 0.00 C ATOM 1305 C VAL A 84 9.184 -3.708 -6.116 1.00 0.00 C ATOM 1306 O VAL A 84 10.257 -4.285 -6.287 1.00 0.00 O ATOM 1307 CB VAL A 84 8.448 -1.332 -6.097 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.623 -0.969 -5.200 1.00 0.00 C ATOM 1309 CG2 VAL A 84 8.019 -0.144 -6.939 1.00 0.00 C ATOM 0 H VAL A 84 7.002 -3.512 -7.455 1.00 0.00 H new ATOM 0 HA VAL A 84 9.625 -2.253 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 84 7.614 -1.613 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.355 -0.116 -4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.872 -1.819 -4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.485 -0.711 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.782 0.697 -6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.829 0.136 -7.612 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.138 -0.411 -7.523 1.00 0.00 H new ATOM 1319 N ALA A 85 8.311 -4.067 -5.182 1.00 0.00 N ATOM 1320 CA ALA A 85 8.577 -5.187 -4.287 1.00 0.00 C ATOM 1321 C ALA A 85 7.341 -5.553 -3.472 1.00 0.00 C ATOM 1322 O ALA A 85 6.463 -4.720 -3.246 1.00 0.00 O ATOM 1323 CB ALA A 85 9.741 -4.858 -3.366 1.00 0.00 C ATOM 0 H ALA A 85 7.417 -3.602 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 85 8.841 -6.051 -4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.930 -5.702 -2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.632 -4.659 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.497 -3.977 -2.772 1.00 0.00 H new ATOM 1329 N LYS A 86 7.286 -6.804 -3.030 1.00 0.00 N ATOM 1330 CA LYS A 86 6.164 -7.283 -2.232 1.00 0.00 C ATOM 1331 C LYS A 86 6.599 -7.597 -0.812 1.00 0.00 C ATOM 1332 O LYS A 86 7.660 -8.179 -0.590 1.00 0.00 O ATOM 1333 CB LYS A 86 5.548 -8.530 -2.863 1.00 0.00 C ATOM 1334 CG LYS A 86 4.729 -8.226 -4.099 1.00 0.00 C ATOM 1335 CD LYS A 86 4.149 -9.490 -4.714 1.00 0.00 C ATOM 1336 CE LYS A 86 5.243 -10.455 -5.145 1.00 0.00 C ATOM 1337 NZ LYS A 86 4.682 -11.688 -5.761 1.00 0.00 N ATOM 0 H LYS A 86 8.005 -7.505 -3.211 1.00 0.00 H new ATOM 0 HA LYS A 86 5.418 -6.489 -2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.343 -9.229 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.915 -9.027 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.920 -7.543 -3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.354 -7.717 -4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.495 -9.979 -3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.534 -9.228 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.903 -9.961 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.851 -10.725 -4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.459 -12.320 -6.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.072 -12.173 -5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.123 -11.433 -6.600 1.00 0.00 H new ATOM 1351 N VAL A 87 5.769 -7.214 0.149 1.00 0.00 N ATOM 1352 CA VAL A 87 6.073 -7.466 1.544 1.00 0.00 C ATOM 1353 C VAL A 87 4.799 -7.531 2.382 1.00 0.00 C ATOM 1354 O VAL A 87 4.450 -6.575 3.073 1.00 0.00 O ATOM 1355 CB VAL A 87 7.010 -6.384 2.123 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.376 -6.696 3.569 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.261 -6.250 1.268 1.00 0.00 C ATOM 0 H VAL A 87 4.886 -6.731 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 87 6.580 -8.430 1.588 1.00 0.00 H new ATOM 0 HB VAL A 87 6.479 -5.432 2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.037 -5.919 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.470 -6.734 4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.884 -7.659 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.910 -5.483 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.791 -7.202 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.980 -5.968 0.253 1.00 0.00 H new ATOM 1367 N VAL A 88 4.113 -8.670 2.323 1.00 0.00 N ATOM 1368 CA VAL A 88 2.885 -8.855 3.087 1.00 0.00 C ATOM 1369 C VAL A 88 3.149 -8.677 4.580 1.00 0.00 C ATOM 1370 O VAL A 88 3.475 -9.631 5.286 1.00 0.00 O ATOM 1371 CB VAL A 88 2.261 -10.244 2.823 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.310 -11.335 2.960 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.092 -10.507 3.765 1.00 0.00 C ATOM 0 H VAL A 88 4.386 -9.474 1.757 1.00 0.00 H new ATOM 0 HA VAL A 88 2.176 -8.095 2.759 1.00 0.00 H new ATOM 0 HB VAL A 88 1.881 -10.254 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.852 -12.306 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.109 -11.164 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.722 -11.319 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.672 -11.491 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.441 -10.472 4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.326 -9.746 3.615 1.00 0.00 H new ATOM 1383 N GLY A 89 3.008 -7.441 5.049 1.00 0.00 N ATOM 1384 CA GLY A 89 3.235 -7.141 6.448 1.00 0.00 C ATOM 1385 C GLY A 89 4.036 -5.868 6.635 1.00 0.00 C ATOM 1386 O GLY A 89 5.134 -5.734 6.095 1.00 0.00 O ATOM 0 H GLY A 89 2.739 -6.639 4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.276 -7.044 6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.762 -7.973 6.916 1.00 0.00 H new ATOM 1390 N ALA A 90 3.486 -4.927 7.397 1.00 0.00 N ATOM 1391 CA ALA A 90 4.158 -3.657 7.645 1.00 0.00 C ATOM 1392 C ALA A 90 5.085 -3.743 8.850 1.00 0.00 C ATOM 1393 O ALA A 90 5.083 -2.864 9.713 1.00 0.00 O ATOM 1394 CB ALA A 90 3.134 -2.548 7.838 1.00 0.00 C ATOM 0 H ALA A 90 2.578 -5.020 7.852 1.00 0.00 H new ATOM 0 HA ALA A 90 4.770 -3.425 6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.649 -1.605 8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.522 -2.458 6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.496 -2.786 8.690 1.00 0.00 H new ATOM 1400 N ASN A 91 5.893 -4.795 8.893 1.00 0.00 N ATOM 1401 CA ASN A 91 6.847 -4.985 9.976 1.00 0.00 C ATOM 1402 C ASN A 91 7.710 -3.732 10.120 1.00 0.00 C ATOM 1403 O ASN A 91 8.521 -3.444 9.245 1.00 0.00 O ATOM 1404 CB ASN A 91 7.727 -6.207 9.678 1.00 0.00 C ATOM 1405 CG ASN A 91 8.748 -6.527 10.765 1.00 0.00 C ATOM 1406 OD1 ASN A 91 8.659 -5.860 11.912 1.00 0.00 O flip ATOM 1407 ND2 ASN A 91 9.605 -7.390 10.577 1.00 0.00 N flip ATOM 0 H ASN A 91 5.906 -5.531 8.187 1.00 0.00 H new ATOM 0 HA ASN A 91 6.313 -5.156 10.910 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.085 -7.076 9.533 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.254 -6.040 8.739 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.645 -7.883 9.685 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.275 -7.612 11.313 1.00 0.00 H new ATOM 1414 N PRO A 92 7.535 -2.958 11.212 1.00 0.00 N ATOM 1415 CA PRO A 92 8.291 -1.728 11.451 1.00 0.00 C ATOM 1416 C PRO A 92 9.724 -1.774 10.914 1.00 0.00 C ATOM 1417 O PRO A 92 10.271 -0.751 10.502 1.00 0.00 O ATOM 1418 CB PRO A 92 8.280 -1.646 12.971 1.00 0.00 C ATOM 1419 CG PRO A 92 6.935 -2.170 13.346 1.00 0.00 C ATOM 1420 CD PRO A 92 6.566 -3.202 12.303 1.00 0.00 C ATOM 0 HA PRO A 92 7.857 -0.868 10.941 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.079 -2.244 13.410 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.421 -0.622 13.317 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.956 -2.615 14.341 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.200 -1.366 13.372 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.651 -4.216 12.695 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.538 -3.077 11.962 1.00 0.00 H new ATOM 1428 N ALA A 93 10.324 -2.960 10.918 1.00 0.00 N ATOM 1429 CA ALA A 93 11.686 -3.124 10.428 1.00 0.00 C ATOM 1430 C ALA A 93 11.704 -3.577 8.967 1.00 0.00 C ATOM 1431 O ALA A 93 12.622 -4.280 8.541 1.00 0.00 O ATOM 1432 CB ALA A 93 12.443 -4.116 11.297 1.00 0.00 C ATOM 0 H ALA A 93 9.889 -3.819 11.254 1.00 0.00 H new ATOM 0 HA ALA A 93 12.180 -2.154 10.483 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.459 -4.229 10.919 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.476 -3.750 12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.937 -5.081 11.272 1.00 0.00 H new ATOM 1438 N ALA A 94 10.692 -3.174 8.201 1.00 0.00 N ATOM 1439 CA ALA A 94 10.610 -3.546 6.793 1.00 0.00 C ATOM 1440 C ALA A 94 9.844 -2.511 5.983 1.00 0.00 C ATOM 1441 O ALA A 94 10.391 -1.913 5.057 1.00 0.00 O ATOM 1442 CB ALA A 94 9.982 -4.923 6.637 1.00 0.00 C ATOM 0 H ALA A 94 9.922 -2.593 8.531 1.00 0.00 H new ATOM 0 HA ALA A 94 11.627 -3.582 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.930 -5.182 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.589 -5.661 7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.977 -4.914 7.058 1.00 0.00 H new ATOM 1448 N ILE A 95 8.581 -2.283 6.334 1.00 0.00 N ATOM 1449 CA ILE A 95 7.772 -1.299 5.631 1.00 0.00 C ATOM 1450 C ILE A 95 8.485 0.054 5.551 1.00 0.00 C ATOM 1451 O ILE A 95 8.065 0.937 4.807 1.00 0.00 O ATOM 1452 CB ILE A 95 6.400 -1.120 6.317 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.588 -0.001 5.655 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.588 -0.834 7.800 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.379 -0.191 4.168 1.00 0.00 C ATOM 0 H ILE A 95 8.101 -2.763 7.095 1.00 0.00 H new ATOM 0 HA ILE A 95 7.618 -1.673 4.619 1.00 0.00 H new ATOM 0 HB ILE A 95 5.841 -2.049 6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.616 0.066 6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.095 0.950 5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.614 -0.710 8.273 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.115 -1.666 8.267 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.170 0.079 7.923 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.796 0.641 3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.346 -0.227 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.844 -1.124 3.992 1.00 0.00 H new ATOM 1467 N LYS A 96 9.570 0.213 6.313 1.00 0.00 N ATOM 1468 CA LYS A 96 10.323 1.464 6.298 1.00 0.00 C ATOM 1469 C LYS A 96 11.433 1.411 5.256 1.00 0.00 C ATOM 1470 O LYS A 96 11.562 2.310 4.425 1.00 0.00 O ATOM 1471 CB LYS A 96 10.900 1.773 7.684 1.00 0.00 C ATOM 1472 CG LYS A 96 11.993 0.816 8.131 1.00 0.00 C ATOM 1473 CD LYS A 96 12.492 1.155 9.526 1.00 0.00 C ATOM 1474 CE LYS A 96 13.665 0.274 9.926 1.00 0.00 C ATOM 1475 NZ LYS A 96 14.149 0.583 11.301 1.00 0.00 N ATOM 0 H LYS A 96 9.941 -0.501 6.940 1.00 0.00 H new ATOM 0 HA LYS A 96 9.637 2.267 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.299 2.787 7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.092 1.751 8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.612 -0.205 8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.824 0.856 7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.793 2.202 9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.681 1.032 10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.367 -0.773 9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.480 0.410 9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.949 -0.039 11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.457 1.575 11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.379 0.429 11.983 1.00 0.00 H new ATOM 1489 N GLN A 97 12.236 0.351 5.307 1.00 0.00 N ATOM 1490 CA GLN A 97 13.333 0.178 4.371 1.00 0.00 C ATOM 1491 C GLN A 97 12.802 -0.111 2.975 1.00 0.00 C ATOM 1492 O GLN A 97 13.410 0.270 1.975 1.00 0.00 O ATOM 1493 CB GLN A 97 14.230 -0.967 4.835 1.00 0.00 C ATOM 1494 CG GLN A 97 14.676 -0.831 6.280 1.00 0.00 C ATOM 1495 CD GLN A 97 15.585 0.360 6.504 1.00 0.00 C ATOM 1496 OE1 GLN A 97 15.203 1.504 6.254 1.00 0.00 O ATOM 1497 NE2 GLN A 97 16.799 0.098 6.976 1.00 0.00 N ATOM 0 H GLN A 97 12.143 -0.401 5.990 1.00 0.00 H new ATOM 0 HA GLN A 97 13.913 1.100 4.336 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.696 -1.910 4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.110 -1.014 4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 97 13.798 -0.738 6.919 1.00 0.00 H new ATOM 0 HG3 GLN A 97 15.195 -1.740 6.582 1.00 0.00 H new ATOM 0 HE21 GLN A 97 17.074 -0.865 7.169 1.00 0.00 H new ATOM 0 HE22 GLN A 97 17.456 0.860 7.145 1.00 0.00 H new ATOM 1506 N ALA A 98 11.658 -0.786 2.915 1.00 0.00 N ATOM 1507 CA ALA A 98 11.042 -1.126 1.641 1.00 0.00 C ATOM 1508 C ALA A 98 10.659 0.135 0.877 1.00 0.00 C ATOM 1509 O ALA A 98 10.684 0.162 -0.353 1.00 0.00 O ATOM 1510 CB ALA A 98 9.820 -2.003 1.863 1.00 0.00 C ATOM 0 H ALA A 98 11.141 -1.107 3.734 1.00 0.00 H new ATOM 0 HA ALA A 98 11.766 -1.681 1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.369 -2.249 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.118 -2.921 2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.095 -1.468 2.477 1.00 0.00 H new ATOM 1516 N ILE A 99 10.303 1.178 1.618 1.00 0.00 N ATOM 1517 CA ILE A 99 9.912 2.448 1.022 1.00 0.00 C ATOM 1518 C ILE A 99 11.117 3.374 0.834 1.00 0.00 C ATOM 1519 O ILE A 99 11.003 4.432 0.219 1.00 0.00 O ATOM 1520 CB ILE A 99 8.858 3.164 1.889 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.673 2.238 2.156 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.390 4.445 1.208 1.00 0.00 C ATOM 1523 CD1 ILE A 99 6.606 2.862 3.027 1.00 0.00 C ATOM 0 H ILE A 99 10.277 1.168 2.638 1.00 0.00 H new ATOM 0 HA ILE A 99 9.485 2.221 0.045 1.00 0.00 H new ATOM 0 HB ILE A 99 9.314 3.428 2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.229 1.945 1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.034 1.327 2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.646 4.939 1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.240 5.111 1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.949 4.203 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.795 2.149 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.035 3.130 3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.218 3.757 2.542 1.00 0.00 H new ATOM 1535 N ALA A 100 12.267 2.973 1.372 1.00 0.00 N ATOM 1536 CA ALA A 100 13.481 3.774 1.263 1.00 0.00 C ATOM 1537 C ALA A 100 14.274 3.408 0.015 1.00 0.00 C ATOM 1538 O ALA A 100 14.377 4.197 -0.922 1.00 0.00 O ATOM 1539 CB ALA A 100 14.338 3.604 2.507 1.00 0.00 C ATOM 0 H ALA A 100 12.382 2.100 1.886 1.00 0.00 H new ATOM 0 HA ALA A 100 13.188 4.820 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.241 4.207 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.776 3.927 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.613 2.555 2.619 1.00 0.00 H new ATOM 1545 N ALA A 101 14.837 2.202 0.011 1.00 0.00 N ATOM 1546 CA ALA A 101 15.626 1.730 -1.121 1.00 0.00 C ATOM 1547 C ALA A 101 14.832 1.818 -2.419 1.00 0.00 C ATOM 1548 O ALA A 101 15.401 1.989 -3.497 1.00 0.00 O ATOM 1549 CB ALA A 101 16.090 0.301 -0.880 1.00 0.00 C ATOM 0 H ALA A 101 14.761 1.535 0.779 1.00 0.00 H new ATOM 0 HA ALA A 101 16.500 2.374 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.678 -0.039 -1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.702 0.264 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.223 -0.347 -0.756 1.00 0.00 H new ATOM 1555 N ASN A 102 13.513 1.698 -2.310 1.00 0.00 N ATOM 1556 CA ASN A 102 12.641 1.762 -3.464 1.00 0.00 C ATOM 1557 C ASN A 102 12.387 3.208 -3.879 1.00 0.00 C ATOM 1558 O ASN A 102 12.577 3.574 -5.039 1.00 0.00 O ATOM 1559 CB ASN A 102 11.322 1.068 -3.138 1.00 0.00 C ATOM 1560 CG ASN A 102 11.465 -0.434 -2.905 1.00 0.00 C ATOM 1561 OD1 ASN A 102 10.483 -1.111 -2.603 1.00 0.00 O ATOM 1562 ND2 ASN A 102 12.677 -0.969 -3.043 1.00 0.00 N ATOM 0 H ASN A 102 13.027 1.555 -1.425 1.00 0.00 H new ATOM 0 HA ASN A 102 13.125 1.255 -4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.890 1.526 -2.248 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.621 1.236 -3.955 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.812 -1.969 -2.897 1.00 0.00 H new ATOM 0 HD22 ASN A 102 13.470 -0.378 -3.294 1.00 0.00 H new ATOM 1569 N ALA A 103 11.958 4.026 -2.925 1.00 0.00 N ATOM 1570 CA ALA A 103 11.679 5.432 -3.191 1.00 0.00 C ATOM 1571 C ALA A 103 12.931 6.158 -3.672 1.00 0.00 C ATOM 1572 O ALA A 103 13.720 6.604 -2.812 1.00 0.00 O ATOM 1573 CB ALA A 103 11.120 6.105 -1.948 1.00 0.00 C ATOM 1574 OXT ALA A 103 13.111 6.274 -4.902 1.00 0.00 O ATOM 0 H ALA A 103 11.796 3.739 -1.960 1.00 0.00 H new ATOM 0 HA ALA A 103 10.933 5.485 -3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.917 7.154 -2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.196 5.610 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.846 6.034 -1.138 1.00 0.00 H new TER 1580 ALA A 103