USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 767 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 48 ASN :FLIP amide:sc= -0.356 F(o=-2.3,f=-1.5) USER MOD Set 1.2: A 50 ASN : amide:sc= -1.11 K(o=-1.5,f=-13!) USER MOD Set 2.1: A 26 MET CE :methyl -153:sc= -1.94 (180deg=-3.58!) USER MOD Set 2.2: A 40 HIS : no HD1:sc= -1.38 K(o=-3.3,f=-4.6) USER MOD Set 3.1: A 19 GLN : amide:sc= -0.109 X(o=-2.1,f=-2.1) USER MOD Set 3.2: A 22 HIS : no HD1:sc= -2.02 X(o=-2.1,f=-1.9) USER MOD Single : A 1 MET CE :methyl -142:sc= 0 (180deg=-0.642) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.14 (180deg=1.04) USER MOD Single : A 3 ASN :FLIP amide:sc= 0.179 F(o=-0.79,f=0.18) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0425) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= -0.0168 (180deg=-0.352) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -22:sc= 0.223 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 45:sc= 1.24 USER MOD Single : A 67 THR OG1 : rot 35:sc= 0.184 USER MOD Single : A 70 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.3!) USER MOD Single : A 72 THR OG1 : rot 84:sc= 0.529 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.434 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 94 SER OG : rot 26:sc= 0.233 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.481 USER MOD Single : A 97 HIS : no HD1:sc=-0.00031 X(o=-0.00031,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.204 8.224 4.618 1.00 0.00 N ATOM 2 CA MET A 1 -13.045 9.478 5.406 1.00 0.00 C ATOM 3 C MET A 1 -11.690 10.143 5.144 1.00 0.00 C ATOM 4 O MET A 1 -11.601 11.370 5.075 1.00 0.00 O ATOM 5 CB MET A 1 -13.202 9.148 6.897 1.00 0.00 C ATOM 6 CG MET A 1 -14.647 9.153 7.374 1.00 0.00 C ATOM 7 SD MET A 1 -14.833 8.499 9.044 1.00 0.00 S ATOM 8 CE MET A 1 -16.610 8.286 9.128 1.00 0.00 C ATOM 0 H1 MET A 1 -14.174 7.865 4.728 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.019 8.419 3.613 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.530 7.510 4.961 1.00 0.00 H new ATOM 0 HA MET A 1 -13.814 10.187 5.097 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.768 8.167 7.091 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.633 9.870 7.482 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.032 10.172 7.343 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.254 8.562 6.688 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.961 8.551 10.125 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.089 8.931 8.391 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.862 7.246 8.919 1.00 0.00 H new ATOM 20 N VAL A 2 -10.643 9.328 4.992 1.00 0.00 N ATOM 21 CA VAL A 2 -9.295 9.843 4.733 1.00 0.00 C ATOM 22 C VAL A 2 -8.958 9.808 3.241 1.00 0.00 C ATOM 23 O VAL A 2 -9.634 9.140 2.460 1.00 0.00 O ATOM 24 CB VAL A 2 -8.217 9.051 5.504 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.340 9.290 7.001 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.298 7.564 5.181 1.00 0.00 C ATOM 0 H VAL A 2 -10.702 8.311 5.044 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.294 10.876 5.081 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.239 9.410 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.571 8.722 7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.214 10.352 7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.324 8.967 7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.528 7.029 5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.280 7.183 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.144 7.415 4.112 1.00 0.00 H new ATOM 36 N ASN A 3 -7.907 10.536 2.858 1.00 0.00 N ATOM 37 CA ASN A 3 -7.472 10.597 1.463 1.00 0.00 C ATOM 38 C ASN A 3 -5.962 10.378 1.350 1.00 0.00 C ATOM 39 O ASN A 3 -5.173 11.234 1.755 1.00 0.00 O ATOM 40 CB ASN A 3 -7.835 11.955 0.852 1.00 0.00 C ATOM 41 CG ASN A 3 -9.295 12.321 1.050 1.00 0.00 C ATOM 42 OD1 ASN A 3 -10.160 11.810 0.183 1.00 0.00 O flip ATOM 43 ND2 ASN A 3 -9.641 13.059 1.972 1.00 0.00 N flip ATOM 0 H ASN A 3 -7.340 11.093 3.498 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.984 9.804 0.918 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.208 12.727 1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.611 11.939 -0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.944 13.431 2.617 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.625 13.299 2.091 1.00 0.00 H new ATOM 50 N VAL A 4 -5.566 9.233 0.792 1.00 0.00 N ATOM 51 CA VAL A 4 -4.148 8.914 0.623 1.00 0.00 C ATOM 52 C VAL A 4 -3.783 8.770 -0.856 1.00 0.00 C ATOM 53 O VAL A 4 -4.501 8.124 -1.622 1.00 0.00 O ATOM 54 CB VAL A 4 -3.755 7.617 1.363 1.00 0.00 C ATOM 55 CG1 VAL A 4 -3.752 7.830 2.870 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.685 6.474 0.980 1.00 0.00 C ATOM 0 H VAL A 4 -6.204 8.514 0.451 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.594 9.747 1.056 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.743 7.348 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.472 6.902 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.035 8.610 3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.747 8.131 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.390 5.570 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.710 6.734 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.623 6.298 -0.094 1.00 0.00 H new ATOM 66 N LYS A 5 -2.660 9.373 -1.247 1.00 0.00 N ATOM 67 CA LYS A 5 -2.190 9.310 -2.630 1.00 0.00 C ATOM 68 C LYS A 5 -1.014 8.342 -2.755 1.00 0.00 C ATOM 69 O LYS A 5 0.126 8.695 -2.449 1.00 0.00 O ATOM 70 CB LYS A 5 -1.778 10.705 -3.115 1.00 0.00 C ATOM 71 CG LYS A 5 -1.523 10.785 -4.614 1.00 0.00 C ATOM 72 CD LYS A 5 -1.493 12.227 -5.101 1.00 0.00 C ATOM 73 CE LYS A 5 -2.124 12.366 -6.479 1.00 0.00 C ATOM 74 NZ LYS A 5 -3.018 13.555 -6.566 1.00 0.00 N ATOM 0 H LYS A 5 -2.058 9.911 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.006 8.946 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.560 11.417 -2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.876 11.012 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.575 10.301 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.301 10.237 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.023 12.862 -4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.462 12.579 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.339 12.447 -7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.694 11.466 -6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.427 13.613 -7.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.782 13.467 -5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.469 14.417 -6.372 1.00 0.00 H new ATOM 88 N VAL A 6 -1.300 7.120 -3.205 1.00 0.00 N ATOM 89 CA VAL A 6 -0.262 6.102 -3.368 1.00 0.00 C ATOM 90 C VAL A 6 0.295 6.103 -4.789 1.00 0.00 C ATOM 91 O VAL A 6 -0.438 6.329 -5.752 1.00 0.00 O ATOM 92 CB VAL A 6 -0.780 4.687 -3.037 1.00 0.00 C ATOM 93 CG1 VAL A 6 -1.124 4.571 -1.559 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.980 4.334 -3.906 1.00 0.00 C ATOM 0 H VAL A 6 -2.238 6.812 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 6 0.530 6.359 -2.664 1.00 0.00 H new ATOM 0 HB VAL A 6 0.014 3.973 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.487 3.565 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.234 4.768 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.898 5.296 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.329 3.332 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.781 5.052 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.690 4.365 -4.956 1.00 0.00 H new ATOM 104 N GLU A 7 1.594 5.844 -4.911 1.00 0.00 N ATOM 105 CA GLU A 7 2.249 5.813 -6.214 1.00 0.00 C ATOM 106 C GLU A 7 2.793 4.419 -6.520 1.00 0.00 C ATOM 107 O GLU A 7 3.832 4.018 -5.992 1.00 0.00 O ATOM 108 CB GLU A 7 3.380 6.843 -6.262 1.00 0.00 C ATOM 109 CG GLU A 7 2.929 8.219 -6.728 1.00 0.00 C ATOM 110 CD GLU A 7 3.978 9.294 -6.501 1.00 0.00 C ATOM 111 OE1 GLU A 7 5.183 8.993 -6.639 1.00 0.00 O ATOM 112 OE2 GLU A 7 3.591 10.440 -6.185 1.00 0.00 O ATOM 0 H GLU A 7 2.213 5.653 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 7 1.508 6.064 -6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.823 6.931 -5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.162 6.481 -6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.685 8.175 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.015 8.494 -6.202 1.00 0.00 H new ATOM 119 N PHE A 8 2.082 3.687 -7.378 1.00 0.00 N ATOM 120 CA PHE A 8 2.492 2.338 -7.762 1.00 0.00 C ATOM 121 C PHE A 8 3.423 2.379 -8.969 1.00 0.00 C ATOM 122 O PHE A 8 3.047 2.861 -10.040 1.00 0.00 O ATOM 123 CB PHE A 8 1.270 1.472 -8.076 1.00 0.00 C ATOM 124 CG PHE A 8 0.434 1.146 -6.869 1.00 0.00 C ATOM 125 CD1 PHE A 8 0.920 0.307 -5.879 1.00 0.00 C ATOM 126 CD2 PHE A 8 -0.839 1.676 -6.728 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.153 0.003 -4.772 1.00 0.00 C ATOM 128 CE2 PHE A 8 -1.611 1.374 -5.623 1.00 0.00 C ATOM 129 CZ PHE A 8 -1.114 0.537 -4.643 1.00 0.00 C ATOM 0 H PHE A 8 1.220 4.006 -7.820 1.00 0.00 H new ATOM 0 HA PHE A 8 3.029 1.898 -6.921 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.649 1.987 -8.809 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.603 0.543 -8.538 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.910 -0.114 -5.974 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.232 2.332 -7.491 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.544 -0.652 -4.007 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.602 1.792 -5.525 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.715 0.301 -3.777 1.00 0.00 H new ATOM 139 N LEU A 9 4.642 1.875 -8.785 1.00 0.00 N ATOM 140 CA LEU A 9 5.638 1.856 -9.851 1.00 0.00 C ATOM 141 C LEU A 9 6.184 0.448 -10.072 1.00 0.00 C ATOM 142 O LEU A 9 6.053 -0.425 -9.210 1.00 0.00 O ATOM 143 CB LEU A 9 6.785 2.813 -9.516 1.00 0.00 C ATOM 144 CG LEU A 9 6.545 4.276 -9.897 1.00 0.00 C ATOM 145 CD1 LEU A 9 5.371 4.848 -9.116 1.00 0.00 C ATOM 146 CD2 LEU A 9 7.799 5.101 -9.654 1.00 0.00 C ATOM 0 H LEU A 9 4.963 1.473 -7.904 1.00 0.00 H new ATOM 0 HA LEU A 9 5.153 2.181 -10.771 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.980 2.760 -8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.686 2.466 -10.021 1.00 0.00 H new ATOM 0 HG LEU A 9 6.303 4.319 -10.959 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.217 5.889 -9.401 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.472 4.274 -9.338 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.582 4.792 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.611 6.139 -9.930 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.070 5.049 -8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.616 4.707 -10.258 1.00 0.00 H new ATOM 158 N GLY A 10 6.800 0.236 -11.235 1.00 0.00 N ATOM 159 CA GLY A 10 7.361 -1.063 -11.559 1.00 0.00 C ATOM 160 C GLY A 10 6.341 -1.990 -12.189 1.00 0.00 C ATOM 161 O GLY A 10 5.995 -1.836 -13.362 1.00 0.00 O ATOM 0 H GLY A 10 6.920 0.944 -11.959 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.201 -0.933 -12.241 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.755 -1.522 -10.652 1.00 0.00 H new ATOM 165 N GLY A 11 5.861 -2.955 -11.405 1.00 0.00 N ATOM 166 CA GLY A 11 4.877 -3.907 -11.897 1.00 0.00 C ATOM 167 C GLY A 11 3.540 -3.828 -11.167 1.00 0.00 C ATOM 168 O GLY A 11 2.551 -4.401 -11.627 1.00 0.00 O ATOM 0 H GLY A 11 6.138 -3.094 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.713 -3.732 -12.960 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.277 -4.916 -11.798 1.00 0.00 H new ATOM 172 N LEU A 12 3.503 -3.122 -10.032 1.00 0.00 N ATOM 173 CA LEU A 12 2.272 -2.983 -9.252 1.00 0.00 C ATOM 174 C LEU A 12 1.190 -2.255 -10.048 1.00 0.00 C ATOM 175 O LEU A 12 0.031 -2.670 -10.053 1.00 0.00 O ATOM 176 CB LEU A 12 2.548 -2.234 -7.947 1.00 0.00 C ATOM 177 CG LEU A 12 2.632 -3.120 -6.704 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.557 -2.502 -5.665 1.00 0.00 C ATOM 179 CD2 LEU A 12 1.242 -3.355 -6.124 1.00 0.00 C ATOM 0 H LEU A 12 4.310 -2.640 -9.635 1.00 0.00 H new ATOM 0 HA LEU A 12 1.912 -3.985 -9.021 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.485 -1.687 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.762 -1.494 -7.796 1.00 0.00 H new ATOM 0 HG LEU A 12 3.049 -4.085 -6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.603 -3.148 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.556 -2.392 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.176 -1.523 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.319 -3.988 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.796 -2.399 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.616 -3.847 -6.868 1.00 0.00 H new ATOM 191 N ASP A 13 1.579 -1.172 -10.724 1.00 0.00 N ATOM 192 CA ASP A 13 0.643 -0.390 -11.533 1.00 0.00 C ATOM 193 C ASP A 13 0.020 -1.247 -12.636 1.00 0.00 C ATOM 194 O ASP A 13 -1.135 -1.040 -13.011 1.00 0.00 O ATOM 195 CB ASP A 13 1.344 0.828 -12.151 1.00 0.00 C ATOM 196 CG ASP A 13 2.533 0.455 -13.019 1.00 0.00 C ATOM 197 OD1 ASP A 13 3.510 -0.107 -12.481 1.00 0.00 O ATOM 198 OD2 ASP A 13 2.486 0.728 -14.238 1.00 0.00 O ATOM 0 H ASP A 13 2.535 -0.817 -10.727 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.152 -0.042 -10.874 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.626 1.388 -12.750 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.678 1.491 -11.353 1.00 0.00 H new ATOM 203 N ALA A 14 0.790 -2.208 -13.151 1.00 0.00 N ATOM 204 CA ALA A 14 0.307 -3.092 -14.211 1.00 0.00 C ATOM 205 C ALA A 14 -0.779 -4.040 -13.700 1.00 0.00 C ATOM 206 O ALA A 14 -1.670 -4.434 -14.452 1.00 0.00 O ATOM 207 CB ALA A 14 1.459 -3.889 -14.808 1.00 0.00 C ATOM 0 H ALA A 14 1.747 -2.393 -12.852 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.132 -2.465 -14.987 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.081 -4.541 -15.595 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.196 -3.204 -15.227 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.926 -4.493 -14.030 1.00 0.00 H new ATOM 213 N ILE A 15 -0.698 -4.407 -12.421 1.00 0.00 N ATOM 214 CA ILE A 15 -1.674 -5.314 -11.821 1.00 0.00 C ATOM 215 C ILE A 15 -3.008 -4.611 -11.569 1.00 0.00 C ATOM 216 O ILE A 15 -4.070 -5.140 -11.898 1.00 0.00 O ATOM 217 CB ILE A 15 -1.165 -5.901 -10.488 1.00 0.00 C ATOM 218 CG1 ILE A 15 0.237 -6.495 -10.648 1.00 0.00 C ATOM 219 CG2 ILE A 15 -2.133 -6.956 -9.977 1.00 0.00 C ATOM 220 CD1 ILE A 15 0.948 -6.729 -9.331 1.00 0.00 C ATOM 0 H ILE A 15 0.032 -4.091 -11.783 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.819 -6.124 -12.536 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.106 -5.093 -9.759 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.163 -7.441 -11.185 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.839 -5.825 -11.263 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.764 -7.363 -9.036 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.112 -6.505 -9.818 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.218 -7.758 -10.711 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.935 -7.151 -9.520 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.054 -5.782 -8.801 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.368 -7.422 -8.722 1.00 0.00 H new ATOM 232 N PHE A 16 -2.944 -3.420 -10.974 1.00 0.00 N ATOM 233 CA PHE A 16 -4.146 -2.645 -10.665 1.00 0.00 C ATOM 234 C PHE A 16 -4.932 -2.309 -11.931 1.00 0.00 C ATOM 235 O PHE A 16 -6.089 -2.707 -12.077 1.00 0.00 O ATOM 236 CB PHE A 16 -3.774 -1.355 -9.929 1.00 0.00 C ATOM 237 CG PHE A 16 -3.562 -1.535 -8.450 1.00 0.00 C ATOM 238 CD1 PHE A 16 -2.485 -2.267 -7.971 1.00 0.00 C ATOM 239 CD2 PHE A 16 -4.438 -0.967 -7.539 1.00 0.00 C ATOM 240 CE1 PHE A 16 -2.289 -2.429 -6.613 1.00 0.00 C ATOM 241 CE2 PHE A 16 -4.245 -1.126 -6.180 1.00 0.00 C ATOM 242 CZ PHE A 16 -3.170 -1.858 -5.717 1.00 0.00 C ATOM 0 H PHE A 16 -2.072 -2.970 -10.696 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.778 -3.258 -10.022 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.864 -0.947 -10.369 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.562 -0.619 -10.086 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.792 -2.715 -8.668 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.281 -0.394 -7.895 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.447 -3.002 -6.253 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.935 -0.678 -5.480 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.019 -1.984 -4.655 1.00 0.00 H new ATOM 252 N GLY A 17 -4.297 -1.571 -12.839 1.00 0.00 N ATOM 253 CA GLY A 17 -4.950 -1.186 -14.080 1.00 0.00 C ATOM 254 C GLY A 17 -4.229 -0.054 -14.792 1.00 0.00 C ATOM 255 O GLY A 17 -4.862 0.891 -15.265 1.00 0.00 O ATOM 0 H GLY A 17 -3.340 -1.232 -12.737 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.004 -2.051 -14.742 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.975 -0.883 -13.868 1.00 0.00 H new ATOM 259 N LYS A 18 -2.901 -0.154 -14.867 1.00 0.00 N ATOM 260 CA LYS A 18 -2.077 0.861 -15.522 1.00 0.00 C ATOM 261 C LYS A 18 -2.265 2.230 -14.864 1.00 0.00 C ATOM 262 O LYS A 18 -2.771 3.167 -15.487 1.00 0.00 O ATOM 263 CB LYS A 18 -2.411 0.942 -17.020 1.00 0.00 C ATOM 264 CG LYS A 18 -2.506 -0.414 -17.708 1.00 0.00 C ATOM 265 CD LYS A 18 -3.302 -0.327 -19.002 1.00 0.00 C ATOM 266 CE LYS A 18 -2.397 -0.110 -20.207 1.00 0.00 C ATOM 267 NZ LYS A 18 -1.645 -1.344 -20.575 1.00 0.00 N ATOM 0 H LYS A 18 -2.371 -0.934 -14.479 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.033 0.569 -15.410 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.358 1.467 -17.143 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.648 1.539 -17.520 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.504 -0.787 -17.920 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.978 -1.132 -17.037 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.876 -1.244 -19.138 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.019 0.491 -18.934 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.998 0.215 -21.057 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.692 0.692 -19.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.217 -1.223 -21.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.897 -1.516 -19.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.296 -2.155 -20.593 1.00 0.00 H new ATOM 281 N GLN A 19 -1.855 2.342 -13.598 1.00 0.00 N ATOM 282 CA GLN A 19 -1.979 3.597 -12.860 1.00 0.00 C ATOM 283 C GLN A 19 -0.721 3.883 -12.040 1.00 0.00 C ATOM 284 O GLN A 19 -0.430 3.183 -11.069 1.00 0.00 O ATOM 285 CB GLN A 19 -3.205 3.561 -11.939 1.00 0.00 C ATOM 286 CG GLN A 19 -3.961 4.881 -11.874 1.00 0.00 C ATOM 287 CD GLN A 19 -5.445 4.723 -12.153 1.00 0.00 C ATOM 288 OE1 GLN A 19 -5.843 3.986 -13.054 1.00 0.00 O ATOM 289 NE2 GLN A 19 -6.276 5.414 -11.379 1.00 0.00 N ATOM 0 H GLN A 19 -1.436 1.580 -13.066 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.104 4.398 -13.588 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.884 2.780 -12.283 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.885 3.286 -10.934 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.827 5.323 -10.887 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.532 5.576 -12.596 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.906 6.015 -10.642 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.283 5.344 -11.522 1.00 0.00 H new ATOM 298 N ARG A 20 0.016 4.923 -12.436 1.00 0.00 N ATOM 299 CA ARG A 20 1.240 5.312 -11.736 1.00 0.00 C ATOM 300 C ARG A 20 0.930 5.800 -10.319 1.00 0.00 C ATOM 301 O ARG A 20 1.718 5.588 -9.398 1.00 0.00 O ATOM 302 CB ARG A 20 1.978 6.406 -12.515 1.00 0.00 C ATOM 303 CG ARG A 20 3.410 6.038 -12.876 1.00 0.00 C ATOM 304 CD ARG A 20 3.648 6.123 -14.377 1.00 0.00 C ATOM 305 NE ARG A 20 5.073 6.103 -14.715 1.00 0.00 N ATOM 306 CZ ARG A 20 5.548 5.833 -15.936 1.00 0.00 C ATOM 307 NH1 ARG A 20 4.718 5.573 -16.944 1.00 0.00 N ATOM 308 NH2 ARG A 20 6.859 5.834 -16.154 1.00 0.00 N ATOM 0 H ARG A 20 -0.214 5.510 -13.238 1.00 0.00 H new ATOM 0 HA ARG A 20 1.880 4.432 -11.666 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.426 6.624 -13.430 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.985 7.320 -11.922 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.099 6.706 -12.359 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.625 5.027 -12.529 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.148 5.289 -14.870 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.198 7.038 -14.763 1.00 0.00 H new ATOM 0 HE ARG A 20 5.744 6.307 -13.974 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.710 5.579 -16.789 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.090 5.368 -17.871 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.503 6.041 -15.390 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.221 5.628 -17.085 1.00 0.00 H new ATOM 322 N VAL A 21 -0.223 6.454 -10.154 1.00 0.00 N ATOM 323 CA VAL A 21 -0.636 6.969 -8.851 1.00 0.00 C ATOM 324 C VAL A 21 -2.131 6.734 -8.613 1.00 0.00 C ATOM 325 O VAL A 21 -2.974 7.168 -9.401 1.00 0.00 O ATOM 326 CB VAL A 21 -0.310 8.474 -8.712 1.00 0.00 C ATOM 327 CG1 VAL A 21 -1.048 9.292 -9.763 1.00 0.00 C ATOM 328 CG2 VAL A 21 -0.634 8.974 -7.309 1.00 0.00 C ATOM 0 H VAL A 21 -0.885 6.638 -10.908 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.072 6.423 -8.095 1.00 0.00 H new ATOM 0 HB VAL A 21 0.760 8.601 -8.877 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.801 10.347 -9.643 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.750 8.961 -10.758 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.123 9.155 -9.642 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.396 10.035 -7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.695 8.825 -7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.044 8.419 -6.580 1.00 0.00 H new ATOM 338 N HIS A 22 -2.446 6.039 -7.520 1.00 0.00 N ATOM 339 CA HIS A 22 -3.832 5.735 -7.163 1.00 0.00 C ATOM 340 C HIS A 22 -4.255 6.495 -5.905 1.00 0.00 C ATOM 341 O HIS A 22 -3.440 7.167 -5.272 1.00 0.00 O ATOM 342 CB HIS A 22 -3.994 4.229 -6.936 1.00 0.00 C ATOM 343 CG HIS A 22 -4.636 3.507 -8.081 1.00 0.00 C ATOM 344 ND1 HIS A 22 -4.031 2.460 -8.744 1.00 0.00 N ATOM 345 CD2 HIS A 22 -5.841 3.680 -8.676 1.00 0.00 C ATOM 346 CE1 HIS A 22 -4.834 2.022 -9.697 1.00 0.00 C ATOM 347 NE2 HIS A 22 -5.938 2.745 -9.677 1.00 0.00 N ATOM 0 H HIS A 22 -1.756 5.674 -6.863 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.472 6.051 -7.987 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.013 3.792 -6.748 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.591 4.069 -6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.586 4.416 -8.412 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.623 1.210 -10.377 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.734 2.628 -10.304 1.00 0.00 H new ATOM 356 N LYS A 23 -5.536 6.381 -5.544 1.00 0.00 N ATOM 357 CA LYS A 23 -6.062 7.055 -4.358 1.00 0.00 C ATOM 358 C LYS A 23 -6.999 6.138 -3.576 1.00 0.00 C ATOM 359 O LYS A 23 -7.923 5.551 -4.143 1.00 0.00 O ATOM 360 CB LYS A 23 -6.797 8.340 -4.751 1.00 0.00 C ATOM 361 CG LYS A 23 -5.879 9.423 -5.295 1.00 0.00 C ATOM 362 CD LYS A 23 -6.612 10.744 -5.473 1.00 0.00 C ATOM 363 CE LYS A 23 -7.251 10.849 -6.850 1.00 0.00 C ATOM 364 NZ LYS A 23 -7.402 12.265 -7.291 1.00 0.00 N ATOM 0 H LYS A 23 -6.225 5.830 -6.056 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.217 7.311 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.550 8.103 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.326 8.727 -3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.038 9.562 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.467 9.104 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.381 10.840 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.915 11.570 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.642 10.307 -7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.229 10.369 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.841 12.290 -8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.004 12.777 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.466 12.717 -7.333 1.00 0.00 H new ATOM 378 N ILE A 24 -6.753 6.021 -2.272 1.00 0.00 N ATOM 379 CA ILE A 24 -7.572 5.176 -1.404 1.00 0.00 C ATOM 380 C ILE A 24 -8.172 5.990 -0.261 1.00 0.00 C ATOM 381 O ILE A 24 -7.511 6.862 0.306 1.00 0.00 O ATOM 382 CB ILE A 24 -6.755 4.002 -0.817 1.00 0.00 C ATOM 383 CG1 ILE A 24 -5.971 3.290 -1.923 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.667 3.018 -0.093 1.00 0.00 C ATOM 385 CD1 ILE A 24 -4.534 3.748 -2.034 1.00 0.00 C ATOM 0 H ILE A 24 -5.992 6.502 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.374 4.770 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.047 4.407 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.988 2.216 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.472 3.456 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.071 2.200 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.181 3.530 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.401 2.620 -0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.039 3.202 -2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.508 4.816 -2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.018 3.557 -1.093 1.00 0.00 H new ATOM 397 N LYS A 25 -9.428 5.700 0.071 1.00 0.00 N ATOM 398 CA LYS A 25 -10.121 6.404 1.145 1.00 0.00 C ATOM 399 C LYS A 25 -10.826 5.421 2.079 1.00 0.00 C ATOM 400 O LYS A 25 -12.008 5.121 1.901 1.00 0.00 O ATOM 401 CB LYS A 25 -11.132 7.392 0.559 1.00 0.00 C ATOM 402 CG LYS A 25 -10.492 8.539 -0.210 1.00 0.00 C ATOM 403 CD LYS A 25 -10.765 8.442 -1.703 1.00 0.00 C ATOM 404 CE LYS A 25 -12.224 8.733 -2.027 1.00 0.00 C ATOM 405 NZ LYS A 25 -12.961 7.510 -2.460 1.00 0.00 N ATOM 0 H LYS A 25 -9.986 4.981 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.380 6.953 1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.809 6.854 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.737 7.802 1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.874 9.487 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.416 8.537 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.126 9.146 -2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.505 7.444 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.712 9.157 -1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.276 9.484 -2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.739 7.780 -3.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.311 6.872 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.347 7.024 -1.626 1.00 0.00 H new ATOM 419 N MET A 26 -10.093 4.920 3.074 1.00 0.00 N ATOM 420 CA MET A 26 -10.652 3.969 4.034 1.00 0.00 C ATOM 421 C MET A 26 -11.639 4.660 4.971 1.00 0.00 C ATOM 422 O MET A 26 -11.323 5.689 5.573 1.00 0.00 O ATOM 423 CB MET A 26 -9.538 3.301 4.849 1.00 0.00 C ATOM 424 CG MET A 26 -9.558 1.782 4.773 1.00 0.00 C ATOM 425 SD MET A 26 -8.899 0.997 6.257 1.00 0.00 S ATOM 426 CE MET A 26 -9.381 -0.709 5.985 1.00 0.00 C ATOM 0 H MET A 26 -9.114 5.156 3.236 1.00 0.00 H new ATOM 0 HA MET A 26 -11.183 3.201 3.472 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.573 3.662 4.494 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.629 3.606 5.892 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.582 1.445 4.614 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.978 1.459 3.909 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.494 -1.213 6.945 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.328 -0.738 5.447 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.614 -1.214 5.398 1.00 0.00 H new ATOM 436 N ASP A 27 -12.834 4.084 5.090 1.00 0.00 N ATOM 437 CA ASP A 27 -13.870 4.636 5.954 1.00 0.00 C ATOM 438 C ASP A 27 -14.129 3.710 7.142 1.00 0.00 C ATOM 439 O ASP A 27 -15.059 2.900 7.123 1.00 0.00 O ATOM 440 CB ASP A 27 -15.160 4.862 5.158 1.00 0.00 C ATOM 441 CG ASP A 27 -15.903 6.107 5.601 1.00 0.00 C ATOM 442 OD1 ASP A 27 -16.547 6.065 6.669 1.00 0.00 O ATOM 443 OD2 ASP A 27 -15.838 7.124 4.879 1.00 0.00 O ATOM 0 H ASP A 27 -13.107 3.234 4.597 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.525 5.596 6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.920 4.944 4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.810 3.995 5.272 1.00 0.00 H new ATOM 448 N LYS A 28 -13.290 3.832 8.170 1.00 0.00 N ATOM 449 CA LYS A 28 -13.414 3.008 9.370 1.00 0.00 C ATOM 450 C LYS A 28 -13.332 3.864 10.631 1.00 0.00 C ATOM 451 O LYS A 28 -14.306 3.984 11.375 1.00 0.00 O ATOM 452 CB LYS A 28 -12.321 1.931 9.385 1.00 0.00 C ATOM 453 CG LYS A 28 -12.395 0.990 10.579 1.00 0.00 C ATOM 454 CD LYS A 28 -13.194 -0.264 10.254 1.00 0.00 C ATOM 455 CE LYS A 28 -12.287 -1.470 10.061 1.00 0.00 C ATOM 456 NZ LYS A 28 -13.059 -2.700 9.727 1.00 0.00 N ATOM 0 H LYS A 28 -12.516 4.495 8.195 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.390 2.523 9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.390 1.345 8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.346 2.418 9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.387 0.711 10.886 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.854 1.506 11.422 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.901 -0.465 11.059 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.779 -0.099 9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.572 -1.263 9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.710 -1.639 10.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.404 -3.498 9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.723 -2.913 10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.590 -2.548 8.845 1.00 0.00 H new ATOM 470 N GLU A 29 -12.161 4.450 10.863 1.00 0.00 N ATOM 471 CA GLU A 29 -11.934 5.293 12.034 1.00 0.00 C ATOM 472 C GLU A 29 -10.930 6.401 11.723 1.00 0.00 C ATOM 473 O GLU A 29 -10.515 6.570 10.575 1.00 0.00 O ATOM 474 CB GLU A 29 -11.422 4.440 13.200 1.00 0.00 C ATOM 475 CG GLU A 29 -12.480 4.140 14.250 1.00 0.00 C ATOM 476 CD GLU A 29 -11.902 4.017 15.648 1.00 0.00 C ATOM 477 OE1 GLU A 29 -11.349 5.018 16.153 1.00 0.00 O ATOM 478 OE2 GLU A 29 -12.001 2.920 16.237 1.00 0.00 O ATOM 0 H GLU A 29 -11.350 4.356 10.252 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.881 5.755 12.311 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.035 3.499 12.808 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.587 4.954 13.675 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.230 4.931 14.240 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.991 3.213 13.990 1.00 0.00 H new ATOM 485 N ASP A 30 -10.539 7.150 12.753 1.00 0.00 N ATOM 486 CA ASP A 30 -9.576 8.234 12.586 1.00 0.00 C ATOM 487 C ASP A 30 -8.140 7.718 12.724 1.00 0.00 C ATOM 488 O ASP A 30 -7.316 7.932 11.833 1.00 0.00 O ATOM 489 CB ASP A 30 -9.835 9.352 13.599 1.00 0.00 C ATOM 490 CG ASP A 30 -10.472 10.574 12.965 1.00 0.00 C ATOM 491 OD1 ASP A 30 -11.680 10.520 12.650 1.00 0.00 O ATOM 492 OD2 ASP A 30 -9.764 11.586 12.784 1.00 0.00 O ATOM 0 H ASP A 30 -10.874 7.026 13.708 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.702 8.639 11.582 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.484 8.977 14.391 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.894 9.639 14.067 1.00 0.00 H new ATOM 497 N PRO A 31 -7.811 7.035 13.843 1.00 0.00 N ATOM 498 CA PRO A 31 -6.467 6.501 14.083 1.00 0.00 C ATOM 499 C PRO A 31 -6.202 5.202 13.312 1.00 0.00 C ATOM 500 O PRO A 31 -5.809 4.188 13.893 1.00 0.00 O ATOM 501 CB PRO A 31 -6.438 6.251 15.604 1.00 0.00 C ATOM 502 CG PRO A 31 -7.767 6.702 16.131 1.00 0.00 C ATOM 503 CD PRO A 31 -8.707 6.731 14.963 1.00 0.00 C ATOM 0 HA PRO A 31 -5.693 7.189 13.742 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.272 5.196 15.821 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.625 6.805 16.074 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.129 6.022 16.902 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.687 7.688 16.588 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.216 5.777 14.828 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.480 7.491 15.082 1.00 0.00 H new ATOM 511 N VAL A 32 -6.412 5.247 11.996 1.00 0.00 N ATOM 512 CA VAL A 32 -6.194 4.087 11.134 1.00 0.00 C ATOM 513 C VAL A 32 -4.711 3.925 10.812 1.00 0.00 C ATOM 514 O VAL A 32 -4.059 4.878 10.389 1.00 0.00 O ATOM 515 CB VAL A 32 -6.980 4.217 9.810 1.00 0.00 C ATOM 516 CG1 VAL A 32 -6.939 2.916 9.025 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.417 4.642 10.075 1.00 0.00 C ATOM 0 H VAL A 32 -6.735 6.079 11.503 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.550 3.211 11.677 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.502 4.990 9.208 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.499 3.033 8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.904 2.663 8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.384 2.118 9.620 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.952 4.727 9.129 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.907 3.898 10.703 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.423 5.606 10.583 1.00 0.00 H new ATOM 527 N THR A 33 -4.182 2.717 11.004 1.00 0.00 N ATOM 528 CA THR A 33 -2.772 2.449 10.720 1.00 0.00 C ATOM 529 C THR A 33 -2.562 2.182 9.235 1.00 0.00 C ATOM 530 O THR A 33 -3.491 1.792 8.527 1.00 0.00 O ATOM 531 CB THR A 33 -2.263 1.264 11.544 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.030 0.102 11.289 1.00 0.00 O ATOM 533 CG2 THR A 33 -2.291 1.515 13.037 1.00 0.00 C ATOM 0 H THR A 33 -4.704 1.913 11.353 1.00 0.00 H new ATOM 0 HA THR A 33 -2.202 3.335 11.000 1.00 0.00 H new ATOM 0 HB THR A 33 -1.227 1.126 11.234 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.904 0.360 10.929 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.917 0.635 13.561 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.662 2.373 13.274 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.314 1.718 13.353 1.00 0.00 H new ATOM 541 N VAL A 34 -1.337 2.400 8.768 1.00 0.00 N ATOM 542 CA VAL A 34 -1.000 2.188 7.362 1.00 0.00 C ATOM 543 C VAL A 34 -1.380 0.783 6.894 1.00 0.00 C ATOM 544 O VAL A 34 -1.847 0.602 5.766 1.00 0.00 O ATOM 545 CB VAL A 34 0.499 2.437 7.112 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.358 1.376 7.781 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.794 2.515 5.621 1.00 0.00 C ATOM 0 H VAL A 34 -0.559 2.724 9.343 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.580 2.906 6.783 1.00 0.00 H new ATOM 0 HB VAL A 34 0.754 3.397 7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.410 1.582 7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.181 1.389 8.856 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.100 0.395 7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.859 2.691 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.510 1.577 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.224 3.333 5.180 1.00 0.00 H new ATOM 557 N GLY A 35 -1.195 -0.205 7.772 1.00 0.00 N ATOM 558 CA GLY A 35 -1.540 -1.576 7.438 1.00 0.00 C ATOM 559 C GLY A 35 -2.996 -1.725 7.037 1.00 0.00 C ATOM 560 O GLY A 35 -3.338 -2.601 6.242 1.00 0.00 O ATOM 0 H GLY A 35 -0.812 -0.077 8.709 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.904 -1.919 6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.334 -2.218 8.294 1.00 0.00 H new ATOM 564 N ASP A 36 -3.853 -0.857 7.580 1.00 0.00 N ATOM 565 CA ASP A 36 -5.279 -0.890 7.266 1.00 0.00 C ATOM 566 C ASP A 36 -5.517 -0.440 5.828 1.00 0.00 C ATOM 567 O ASP A 36 -6.323 -1.033 5.108 1.00 0.00 O ATOM 568 CB ASP A 36 -6.064 -0.007 8.243 1.00 0.00 C ATOM 569 CG ASP A 36 -6.113 -0.589 9.645 1.00 0.00 C ATOM 570 OD1 ASP A 36 -6.404 -1.795 9.781 1.00 0.00 O ATOM 571 OD2 ASP A 36 -5.853 0.162 10.608 1.00 0.00 O ATOM 0 H ASP A 36 -3.583 -0.125 8.237 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.633 -1.916 7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.608 0.982 8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.081 0.124 7.872 1.00 0.00 H new ATOM 576 N LEU A 37 -4.791 0.598 5.409 1.00 0.00 N ATOM 577 CA LEU A 37 -4.898 1.117 4.050 1.00 0.00 C ATOM 578 C LEU A 37 -4.658 0.000 3.039 1.00 0.00 C ATOM 579 O LEU A 37 -5.494 -0.248 2.168 1.00 0.00 O ATOM 580 CB LEU A 37 -3.890 2.252 3.830 1.00 0.00 C ATOM 581 CG LEU A 37 -4.282 3.287 2.772 1.00 0.00 C ATOM 582 CD1 LEU A 37 -4.327 2.654 1.389 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.623 3.924 3.117 1.00 0.00 C ATOM 0 H LEU A 37 -4.121 1.095 5.996 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.904 1.511 3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.737 2.768 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.933 1.814 3.547 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.523 4.070 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.608 3.407 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.345 2.252 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.061 1.848 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.885 4.657 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.392 3.153 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.552 4.419 4.086 1.00 0.00 H new ATOM 595 N ILE A 38 -3.519 -0.685 3.170 1.00 0.00 N ATOM 596 CA ILE A 38 -3.188 -1.789 2.269 1.00 0.00 C ATOM 597 C ILE A 38 -4.226 -2.908 2.390 1.00 0.00 C ATOM 598 O ILE A 38 -4.562 -3.564 1.402 1.00 0.00 O ATOM 599 CB ILE A 38 -1.778 -2.365 2.546 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.735 -1.241 2.591 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.403 -3.390 1.480 1.00 0.00 C ATOM 602 CD1 ILE A 38 -0.195 -0.967 3.978 1.00 0.00 C ATOM 0 H ILE A 38 -2.817 -0.496 3.885 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.196 -1.385 1.256 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.795 -2.860 3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.094 -1.500 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.181 -0.328 2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.409 -3.785 1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.127 -4.205 1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.405 -2.913 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.537 -0.161 3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.014 -0.676 4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.281 -1.867 4.367 1.00 0.00 H new ATOM 614 N ASP A 39 -4.733 -3.113 3.608 1.00 0.00 N ATOM 615 CA ASP A 39 -5.736 -4.145 3.864 1.00 0.00 C ATOM 616 C ASP A 39 -7.016 -3.877 3.077 1.00 0.00 C ATOM 617 O ASP A 39 -7.566 -4.786 2.457 1.00 0.00 O ATOM 618 CB ASP A 39 -6.050 -4.231 5.360 1.00 0.00 C ATOM 619 CG ASP A 39 -6.116 -5.664 5.855 1.00 0.00 C ATOM 620 OD1 ASP A 39 -5.148 -6.419 5.623 1.00 0.00 O ATOM 621 OD2 ASP A 39 -7.136 -6.031 6.476 1.00 0.00 O ATOM 0 H ASP A 39 -4.464 -2.576 4.432 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.323 -5.098 3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.287 -3.691 5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.001 -3.737 5.558 1.00 0.00 H new ATOM 626 N HIS A 40 -7.485 -2.629 3.102 1.00 0.00 N ATOM 627 CA HIS A 40 -8.702 -2.254 2.380 1.00 0.00 C ATOM 628 C HIS A 40 -8.549 -2.528 0.886 1.00 0.00 C ATOM 629 O HIS A 40 -9.478 -3.012 0.238 1.00 0.00 O ATOM 630 CB HIS A 40 -9.029 -0.776 2.606 1.00 0.00 C ATOM 631 CG HIS A 40 -10.500 -0.478 2.638 1.00 0.00 C ATOM 632 ND1 HIS A 40 -11.029 0.742 2.266 1.00 0.00 N ATOM 633 CD2 HIS A 40 -11.554 -1.244 3.011 1.00 0.00 C ATOM 634 CE1 HIS A 40 -12.343 0.712 2.409 1.00 0.00 C ATOM 635 NE2 HIS A 40 -12.686 -0.481 2.859 1.00 0.00 N ATOM 0 H HIS A 40 -7.043 -1.864 3.612 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.522 -2.859 2.766 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.582 -0.455 3.547 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.566 -0.186 1.815 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.512 -2.264 3.362 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.021 1.525 2.194 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -13.638 -0.787 3.061 1.00 0.00 H new ATOM 644 N ILE A 41 -7.365 -2.225 0.350 1.00 0.00 N ATOM 645 CA ILE A 41 -7.079 -2.448 -1.064 1.00 0.00 C ATOM 646 C ILE A 41 -7.118 -3.941 -1.395 1.00 0.00 C ATOM 647 O ILE A 41 -7.506 -4.331 -2.494 1.00 0.00 O ATOM 648 CB ILE A 41 -5.701 -1.875 -1.465 1.00 0.00 C ATOM 649 CG1 ILE A 41 -5.573 -0.416 -1.014 1.00 0.00 C ATOM 650 CG2 ILE A 41 -5.490 -1.986 -2.969 1.00 0.00 C ATOM 651 CD1 ILE A 41 -4.144 0.026 -0.781 1.00 0.00 C ATOM 0 H ILE A 41 -6.589 -1.824 0.877 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.851 -1.927 -1.631 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.930 -2.461 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.025 0.229 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.141 -0.278 -0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.514 -1.577 -3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.536 -3.034 -3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.269 -1.427 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.133 1.069 -0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.693 -0.594 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.576 -0.079 -1.705 1.00 0.00 H new ATOM 663 N VAL A 42 -6.714 -4.769 -0.434 1.00 0.00 N ATOM 664 CA VAL A 42 -6.703 -6.218 -0.622 1.00 0.00 C ATOM 665 C VAL A 42 -8.027 -6.862 -0.181 1.00 0.00 C ATOM 666 O VAL A 42 -8.231 -8.061 -0.376 1.00 0.00 O ATOM 667 CB VAL A 42 -5.536 -6.867 0.157 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.455 -8.360 -0.130 1.00 0.00 C ATOM 669 CG2 VAL A 42 -4.217 -6.182 -0.181 1.00 0.00 C ATOM 0 H VAL A 42 -6.390 -4.461 0.483 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.571 -6.395 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.727 -6.737 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.626 -8.794 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.386 -8.839 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.294 -8.517 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.408 -6.654 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.022 -6.275 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.276 -5.127 0.087 1.00 0.00 H new ATOM 679 N SER A 43 -8.924 -6.071 0.416 1.00 0.00 N ATOM 680 CA SER A 43 -10.210 -6.590 0.880 1.00 0.00 C ATOM 681 C SER A 43 -11.268 -6.527 -0.221 1.00 0.00 C ATOM 682 O SER A 43 -11.624 -7.551 -0.804 1.00 0.00 O ATOM 683 CB SER A 43 -10.683 -5.820 2.120 1.00 0.00 C ATOM 684 OG SER A 43 -10.896 -6.696 3.214 1.00 0.00 O ATOM 0 H SER A 43 -8.783 -5.075 0.588 1.00 0.00 H new ATOM 0 HA SER A 43 -10.069 -7.637 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.941 -5.069 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.606 -5.288 1.891 1.00 0.00 H new ATOM 0 HG SER A 43 -11.195 -6.181 3.992 1.00 0.00 H new ATOM 690 N THR A 44 -11.775 -5.326 -0.498 1.00 0.00 N ATOM 691 CA THR A 44 -12.801 -5.148 -1.526 1.00 0.00 C ATOM 692 C THR A 44 -12.196 -4.657 -2.840 1.00 0.00 C ATOM 693 O THR A 44 -12.580 -5.118 -3.916 1.00 0.00 O ATOM 694 CB THR A 44 -13.877 -4.169 -1.049 1.00 0.00 C ATOM 695 OG1 THR A 44 -14.321 -4.505 0.255 1.00 0.00 O ATOM 696 CG2 THR A 44 -15.093 -4.133 -1.952 1.00 0.00 C ATOM 0 H THR A 44 -11.494 -4.466 -0.028 1.00 0.00 H new ATOM 0 HA THR A 44 -13.258 -6.121 -1.705 1.00 0.00 H new ATOM 0 HB THR A 44 -13.402 -3.188 -1.063 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.007 -3.866 0.542 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.818 -3.420 -1.558 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.793 -3.829 -2.955 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.545 -5.124 -1.993 1.00 0.00 H new ATOM 704 N MET A 45 -11.251 -3.721 -2.746 1.00 0.00 N ATOM 705 CA MET A 45 -10.592 -3.167 -3.930 1.00 0.00 C ATOM 706 C MET A 45 -10.012 -4.279 -4.810 1.00 0.00 C ATOM 707 O MET A 45 -10.067 -4.195 -6.038 1.00 0.00 O ATOM 708 CB MET A 45 -9.489 -2.187 -3.516 1.00 0.00 C ATOM 709 CG MET A 45 -9.436 -0.927 -4.366 1.00 0.00 C ATOM 710 SD MET A 45 -8.072 0.163 -3.910 1.00 0.00 S ATOM 711 CE MET A 45 -7.393 0.552 -5.521 1.00 0.00 C ATOM 0 H MET A 45 -10.924 -3.330 -1.862 1.00 0.00 H new ATOM 0 HA MET A 45 -11.341 -2.630 -4.513 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.639 -1.905 -2.474 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.526 -2.694 -3.574 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.338 -1.205 -5.415 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.377 -0.386 -4.266 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.540 1.220 -5.404 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.071 -0.367 -6.011 1.00 0.00 H new ATOM 0 HE3 MET A 45 -8.155 1.040 -6.129 1.00 0.00 H new ATOM 721 N ILE A 46 -9.462 -5.319 -4.176 1.00 0.00 N ATOM 722 CA ILE A 46 -8.880 -6.443 -4.902 1.00 0.00 C ATOM 723 C ILE A 46 -9.348 -7.774 -4.315 1.00 0.00 C ATOM 724 O ILE A 46 -8.874 -8.198 -3.260 1.00 0.00 O ATOM 725 CB ILE A 46 -7.337 -6.399 -4.876 1.00 0.00 C ATOM 726 CG1 ILE A 46 -6.826 -5.015 -5.281 1.00 0.00 C ATOM 727 CG2 ILE A 46 -6.761 -7.464 -5.792 1.00 0.00 C ATOM 728 CD1 ILE A 46 -5.395 -4.757 -4.863 1.00 0.00 C ATOM 0 H ILE A 46 -9.409 -5.402 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.218 -6.360 -5.935 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.007 -6.600 -3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.905 -4.909 -6.363 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.469 -4.254 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.672 -7.420 -5.762 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.093 -8.448 -5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.103 -7.290 -6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.097 -3.758 -5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.314 -4.831 -3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.742 -5.496 -5.327 1.00 0.00 H new ATOM 740 N ASN A 47 -10.283 -8.427 -5.005 1.00 0.00 N ATOM 741 CA ASN A 47 -10.819 -9.709 -4.551 1.00 0.00 C ATOM 742 C ASN A 47 -10.682 -10.779 -5.638 1.00 0.00 C ATOM 743 O ASN A 47 -11.674 -11.197 -6.240 1.00 0.00 O ATOM 744 CB ASN A 47 -12.290 -9.549 -4.147 1.00 0.00 C ATOM 745 CG ASN A 47 -12.826 -10.759 -3.403 1.00 0.00 C ATOM 746 OD1 ASN A 47 -12.230 -11.215 -2.428 1.00 0.00 O ATOM 747 ND2 ASN A 47 -13.956 -11.287 -3.861 1.00 0.00 N ATOM 0 H ASN A 47 -10.684 -8.089 -5.880 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.243 -10.033 -3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.396 -8.664 -3.519 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.892 -9.380 -5.040 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -14.361 -12.102 -3.401 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -14.418 -10.877 -4.673 1.00 0.00 H new ATOM 754 N ASN A 48 -9.446 -11.218 -5.887 1.00 0.00 N ATOM 755 CA ASN A 48 -9.182 -12.235 -6.903 1.00 0.00 C ATOM 756 C ASN A 48 -7.807 -12.873 -6.702 1.00 0.00 C ATOM 757 O ASN A 48 -6.806 -12.170 -6.552 1.00 0.00 O ATOM 758 CB ASN A 48 -9.265 -11.616 -8.302 1.00 0.00 C ATOM 759 CG ASN A 48 -10.243 -12.347 -9.201 1.00 0.00 C ATOM 760 OD1 ASN A 48 -9.864 -13.541 -9.643 1.00 0.00 O flip ATOM 761 ND2 ASN A 48 -11.327 -11.845 -9.494 1.00 0.00 N flip ATOM 0 H ASN A 48 -8.615 -10.885 -5.399 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.939 -13.013 -6.804 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.565 -10.572 -8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.276 -11.627 -8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.577 -10.925 -9.132 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.975 -12.349 -10.099 1.00 0.00 H new ATOM 768 N PRO A 49 -7.734 -14.221 -6.694 1.00 0.00 N ATOM 769 CA PRO A 49 -6.467 -14.940 -6.509 1.00 0.00 C ATOM 770 C PRO A 49 -5.547 -14.834 -7.728 1.00 0.00 C ATOM 771 O PRO A 49 -5.395 -15.789 -8.493 1.00 0.00 O ATOM 772 CB PRO A 49 -6.910 -16.389 -6.291 1.00 0.00 C ATOM 773 CG PRO A 49 -8.216 -16.493 -6.997 1.00 0.00 C ATOM 774 CD PRO A 49 -8.873 -15.146 -6.858 1.00 0.00 C ATOM 0 HA PRO A 49 -5.884 -14.530 -5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.182 -17.091 -6.698 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.014 -16.616 -5.230 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.072 -16.750 -8.046 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.835 -17.276 -6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.468 -14.897 -7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.543 -15.113 -5.999 1.00 0.00 H new ATOM 782 N ASN A 50 -4.928 -13.666 -7.892 1.00 0.00 N ATOM 783 CA ASN A 50 -4.007 -13.422 -9.005 1.00 0.00 C ATOM 784 C ASN A 50 -3.232 -12.121 -8.795 1.00 0.00 C ATOM 785 O ASN A 50 -2.018 -12.079 -8.987 1.00 0.00 O ATOM 786 CB ASN A 50 -4.745 -13.387 -10.352 1.00 0.00 C ATOM 787 CG ASN A 50 -6.060 -12.629 -10.306 1.00 0.00 C ATOM 788 OD1 ASN A 50 -6.184 -11.610 -9.631 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.053 -13.124 -11.037 1.00 0.00 N ATOM 0 H ASN A 50 -5.047 -12.869 -7.266 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.301 -14.252 -9.029 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.097 -12.929 -11.100 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.936 -14.409 -10.679 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.959 -12.655 -11.051 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.910 -13.973 -11.584 1.00 0.00 H new ATOM 796 N ASP A 51 -3.939 -11.067 -8.386 1.00 0.00 N ATOM 797 CA ASP A 51 -3.316 -9.769 -8.134 1.00 0.00 C ATOM 798 C ASP A 51 -2.917 -9.639 -6.667 1.00 0.00 C ATOM 799 O ASP A 51 -1.864 -9.085 -6.347 1.00 0.00 O ATOM 800 CB ASP A 51 -4.253 -8.611 -8.524 1.00 0.00 C ATOM 801 CG ASP A 51 -5.734 -8.917 -8.343 1.00 0.00 C ATOM 802 OD1 ASP A 51 -6.084 -9.682 -7.422 1.00 0.00 O ATOM 803 OD2 ASP A 51 -6.545 -8.380 -9.124 1.00 0.00 O ATOM 0 H ASP A 51 -4.946 -11.088 -8.222 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.421 -9.710 -8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.999 -7.736 -7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.073 -8.348 -9.566 1.00 0.00 H new ATOM 808 N VAL A 52 -3.763 -10.151 -5.776 1.00 0.00 N ATOM 809 CA VAL A 52 -3.495 -10.090 -4.346 1.00 0.00 C ATOM 810 C VAL A 52 -2.696 -11.308 -3.880 1.00 0.00 C ATOM 811 O VAL A 52 -1.840 -11.192 -3.003 1.00 0.00 O ATOM 812 CB VAL A 52 -4.811 -9.971 -3.545 1.00 0.00 C ATOM 813 CG1 VAL A 52 -4.713 -10.668 -2.196 1.00 0.00 C ATOM 814 CG2 VAL A 52 -5.181 -8.509 -3.366 1.00 0.00 C ATOM 0 H VAL A 52 -4.639 -10.612 -6.022 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.895 -9.199 -4.160 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.596 -10.470 -4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.658 -10.562 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.498 -11.726 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.913 -10.216 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.110 -8.435 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.385 -7.996 -2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.314 -8.045 -4.343 1.00 0.00 H new ATOM 824 N SER A 53 -2.975 -12.471 -4.471 1.00 0.00 N ATOM 825 CA SER A 53 -2.271 -13.705 -4.113 1.00 0.00 C ATOM 826 C SER A 53 -0.757 -13.530 -4.241 1.00 0.00 C ATOM 827 O SER A 53 0.004 -14.031 -3.414 1.00 0.00 O ATOM 828 CB SER A 53 -2.735 -14.865 -4.999 1.00 0.00 C ATOM 829 OG SER A 53 -2.633 -16.104 -4.315 1.00 0.00 O ATOM 0 H SER A 53 -3.681 -12.585 -5.198 1.00 0.00 H new ATOM 0 HA SER A 53 -2.508 -13.933 -3.074 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.767 -14.700 -5.307 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.132 -14.897 -5.907 1.00 0.00 H new ATOM 0 HG SER A 53 -2.937 -16.828 -4.902 1.00 0.00 H new ATOM 835 N ILE A 54 -0.328 -12.812 -5.280 1.00 0.00 N ATOM 836 CA ILE A 54 1.095 -12.571 -5.506 1.00 0.00 C ATOM 837 C ILE A 54 1.636 -11.510 -4.543 1.00 0.00 C ATOM 838 O ILE A 54 2.781 -11.595 -4.100 1.00 0.00 O ATOM 839 CB ILE A 54 1.378 -12.138 -6.963 1.00 0.00 C ATOM 840 CG1 ILE A 54 0.684 -13.087 -7.949 1.00 0.00 C ATOM 841 CG2 ILE A 54 2.879 -12.107 -7.227 1.00 0.00 C ATOM 842 CD1 ILE A 54 0.762 -12.632 -9.392 1.00 0.00 C ATOM 0 H ILE A 54 -0.944 -12.389 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 54 1.607 -13.515 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 54 0.979 -11.134 -7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.134 -14.076 -7.865 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.364 -13.188 -7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.061 -11.800 -8.257 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.353 -11.398 -6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.298 -13.100 -7.065 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.250 -13.353 -10.029 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.286 -11.657 -9.492 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.807 -12.559 -9.694 1.00 0.00 H new ATOM 854 N PHE A 55 0.808 -10.515 -4.218 1.00 0.00 N ATOM 855 CA PHE A 55 1.210 -9.445 -3.301 1.00 0.00 C ATOM 856 C PHE A 55 1.284 -9.959 -1.860 1.00 0.00 C ATOM 857 O PHE A 55 2.302 -9.792 -1.184 1.00 0.00 O ATOM 858 CB PHE A 55 0.224 -8.272 -3.389 1.00 0.00 C ATOM 859 CG PHE A 55 0.731 -6.988 -2.781 1.00 0.00 C ATOM 860 CD1 PHE A 55 0.905 -6.871 -1.410 1.00 0.00 C ATOM 861 CD2 PHE A 55 1.022 -5.896 -3.583 1.00 0.00 C ATOM 862 CE1 PHE A 55 1.361 -5.690 -0.853 1.00 0.00 C ATOM 863 CE2 PHE A 55 1.477 -4.713 -3.031 1.00 0.00 C ATOM 864 CZ PHE A 55 1.647 -4.610 -1.664 1.00 0.00 C ATOM 0 H PHE A 55 -0.143 -10.427 -4.575 1.00 0.00 H new ATOM 0 HA PHE A 55 2.201 -9.101 -3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.018 -8.094 -4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.704 -8.554 -2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.682 -7.712 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.892 -5.970 -4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.493 -5.613 0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.699 -3.870 -3.668 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.003 -3.687 -1.231 1.00 0.00 H new ATOM 874 N ILE A 56 0.196 -10.581 -1.398 1.00 0.00 N ATOM 875 CA ILE A 56 0.125 -11.119 -0.041 1.00 0.00 C ATOM 876 C ILE A 56 -0.072 -12.636 -0.060 1.00 0.00 C ATOM 877 O ILE A 56 -1.141 -13.128 -0.429 1.00 0.00 O ATOM 878 CB ILE A 56 -1.024 -10.472 0.764 1.00 0.00 C ATOM 879 CG1 ILE A 56 -0.967 -8.946 0.651 1.00 0.00 C ATOM 880 CG2 ILE A 56 -0.965 -10.904 2.225 1.00 0.00 C ATOM 881 CD1 ILE A 56 -2.078 -8.242 1.400 1.00 0.00 C ATOM 0 H ILE A 56 -0.651 -10.724 -1.949 1.00 0.00 H new ATOM 0 HA ILE A 56 1.073 -10.883 0.442 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.971 -10.812 0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.006 -8.597 1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.015 -8.666 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.782 -10.438 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.057 -11.988 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.013 -10.595 2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.974 -7.164 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.042 -8.562 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.018 -8.492 2.459 1.00 0.00 H new ATOM 893 N GLU A 57 0.965 -13.368 0.345 1.00 0.00 N ATOM 894 CA GLU A 57 0.918 -14.829 0.383 1.00 0.00 C ATOM 895 C GLU A 57 0.938 -15.335 1.827 1.00 0.00 C ATOM 896 O GLU A 57 1.779 -14.915 2.626 1.00 0.00 O ATOM 897 CB GLU A 57 2.102 -15.414 -0.394 1.00 0.00 C ATOM 898 CG GLU A 57 2.017 -16.921 -0.601 1.00 0.00 C ATOM 899 CD GLU A 57 1.985 -17.320 -2.067 1.00 0.00 C ATOM 900 OE1 GLU A 57 1.355 -16.601 -2.870 1.00 0.00 O ATOM 901 OE2 GLU A 57 2.590 -18.355 -2.413 1.00 0.00 O ATOM 0 H GLU A 57 1.852 -12.970 0.653 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.012 -15.155 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.163 -14.926 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.024 -15.181 0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.871 -17.397 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.122 -17.300 -0.108 1.00 0.00 H new ATOM 908 N ASP A 58 0.005 -16.234 2.153 1.00 0.00 N ATOM 909 CA ASP A 58 -0.095 -16.800 3.499 1.00 0.00 C ATOM 910 C ASP A 58 -0.326 -15.695 4.536 1.00 0.00 C ATOM 911 O ASP A 58 0.250 -15.718 5.624 1.00 0.00 O ATOM 912 CB ASP A 58 1.169 -17.606 3.838 1.00 0.00 C ATOM 913 CG ASP A 58 0.873 -18.868 4.634 1.00 0.00 C ATOM 914 OD1 ASP A 58 -0.091 -18.864 5.430 1.00 0.00 O ATOM 915 OD2 ASP A 58 1.609 -19.863 4.460 1.00 0.00 O ATOM 0 H ASP A 58 -0.694 -16.586 1.499 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.951 -17.474 3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.679 -17.877 2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.853 -16.976 4.407 1.00 0.00 H new ATOM 920 N ASP A 59 -1.178 -14.727 4.183 1.00 0.00 N ATOM 921 CA ASP A 59 -1.497 -13.607 5.071 1.00 0.00 C ATOM 922 C ASP A 59 -0.239 -12.810 5.444 1.00 0.00 C ATOM 923 O ASP A 59 -0.168 -12.221 6.524 1.00 0.00 O ATOM 924 CB ASP A 59 -2.191 -14.120 6.339 1.00 0.00 C ATOM 925 CG ASP A 59 -3.547 -14.739 6.052 1.00 0.00 C ATOM 926 OD1 ASP A 59 -3.590 -15.808 5.406 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.568 -14.156 6.473 1.00 0.00 O ATOM 0 H ASP A 59 -1.660 -14.698 3.285 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.171 -12.938 4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.553 -14.859 6.824 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.313 -13.295 7.041 1.00 0.00 H new ATOM 932 N SER A 60 0.747 -12.790 4.547 1.00 0.00 N ATOM 933 CA SER A 60 1.992 -12.065 4.790 1.00 0.00 C ATOM 934 C SER A 60 2.503 -11.424 3.502 1.00 0.00 C ATOM 935 O SER A 60 2.348 -11.988 2.417 1.00 0.00 O ATOM 936 CB SER A 60 3.062 -12.999 5.376 1.00 0.00 C ATOM 937 OG SER A 60 2.845 -14.349 4.995 1.00 0.00 O ATOM 0 H SER A 60 0.707 -13.267 3.647 1.00 0.00 H new ATOM 0 HA SER A 60 1.786 -11.277 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.048 -12.680 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.056 -12.922 6.463 1.00 0.00 H new ATOM 0 HG SER A 60 2.630 -14.389 4.040 1.00 0.00 H new ATOM 943 N ILE A 61 3.107 -10.242 3.629 1.00 0.00 N ATOM 944 CA ILE A 61 3.638 -9.520 2.472 1.00 0.00 C ATOM 945 C ILE A 61 4.796 -10.281 1.827 1.00 0.00 C ATOM 946 O ILE A 61 5.485 -11.062 2.486 1.00 0.00 O ATOM 947 CB ILE A 61 4.114 -8.099 2.855 1.00 0.00 C ATOM 948 CG1 ILE A 61 3.019 -7.357 3.627 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.506 -7.313 1.611 1.00 0.00 C ATOM 950 CD1 ILE A 61 3.416 -6.986 5.042 1.00 0.00 C ATOM 0 H ILE A 61 3.241 -9.765 4.520 1.00 0.00 H new ATOM 0 HA ILE A 61 2.821 -9.436 1.755 1.00 0.00 H new ATOM 0 HB ILE A 61 4.990 -8.193 3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.755 -6.450 3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.125 -7.980 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.838 -6.316 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.315 -7.829 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.646 -7.230 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.591 -6.464 5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.652 -7.890 5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.291 -6.337 5.016 1.00 0.00 H new ATOM 962 N ARG A 62 5.001 -10.046 0.533 1.00 0.00 N ATOM 963 CA ARG A 62 6.074 -10.708 -0.205 1.00 0.00 C ATOM 964 C ARG A 62 7.374 -9.911 -0.123 1.00 0.00 C ATOM 965 O ARG A 62 7.356 -8.678 -0.088 1.00 0.00 O ATOM 966 CB ARG A 62 5.676 -10.902 -1.671 1.00 0.00 C ATOM 967 CG ARG A 62 4.956 -12.214 -1.939 1.00 0.00 C ATOM 968 CD ARG A 62 5.364 -12.817 -3.274 1.00 0.00 C ATOM 969 NE ARG A 62 4.793 -14.150 -3.467 1.00 0.00 N ATOM 970 CZ ARG A 62 4.795 -14.805 -4.631 1.00 0.00 C ATOM 971 NH1 ARG A 62 5.329 -14.253 -5.718 1.00 0.00 N ATOM 972 NH2 ARG A 62 4.256 -16.016 -4.709 1.00 0.00 N ATOM 0 H ARG A 62 4.439 -9.403 -0.025 1.00 0.00 H new ATOM 0 HA ARG A 62 6.238 -11.683 0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.034 -10.076 -1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.571 -10.856 -2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.176 -12.920 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.879 -12.047 -1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.039 -12.162 -4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.451 -12.876 -3.329 1.00 0.00 H new ATOM 0 HE ARG A 62 4.366 -14.608 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.742 -13.322 -5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.326 -14.761 -6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.842 -16.444 -3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.256 -16.518 -5.597 1.00 0.00 H new ATOM 986 N PRO A 63 8.527 -10.610 -0.098 1.00 0.00 N ATOM 987 CA PRO A 63 9.842 -9.964 -0.027 1.00 0.00 C ATOM 988 C PRO A 63 10.211 -9.274 -1.339 1.00 0.00 C ATOM 989 O PRO A 63 10.834 -9.875 -2.217 1.00 0.00 O ATOM 990 CB PRO A 63 10.793 -11.128 0.263 1.00 0.00 C ATOM 991 CG PRO A 63 10.111 -12.326 -0.302 1.00 0.00 C ATOM 992 CD PRO A 63 8.635 -12.084 -0.141 1.00 0.00 C ATOM 0 HA PRO A 63 9.877 -9.177 0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.766 -10.970 -0.203 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.967 -11.240 1.333 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.371 -12.463 -1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.416 -13.231 0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.067 -12.504 -0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.251 -12.541 0.771 1.00 0.00 H new ATOM 1000 N GLY A 64 9.813 -8.009 -1.467 1.00 0.00 N ATOM 1001 CA GLY A 64 10.099 -7.254 -2.675 1.00 0.00 C ATOM 1002 C GLY A 64 9.291 -5.972 -2.772 1.00 0.00 C ATOM 1003 O GLY A 64 9.781 -4.964 -3.285 1.00 0.00 O ATOM 0 H GLY A 64 9.297 -7.494 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.161 -7.012 -2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.890 -7.876 -3.545 1.00 0.00 H new ATOM 1007 N ILE A 65 8.050 -6.007 -2.279 1.00 0.00 N ATOM 1008 CA ILE A 65 7.179 -4.836 -2.313 1.00 0.00 C ATOM 1009 C ILE A 65 7.691 -3.744 -1.379 1.00 0.00 C ATOM 1010 O ILE A 65 7.803 -3.947 -0.169 1.00 0.00 O ATOM 1011 CB ILE A 65 5.723 -5.180 -1.924 1.00 0.00 C ATOM 1012 CG1 ILE A 65 5.220 -6.411 -2.691 1.00 0.00 C ATOM 1013 CG2 ILE A 65 4.812 -3.985 -2.176 1.00 0.00 C ATOM 1014 CD1 ILE A 65 5.292 -6.270 -4.197 1.00 0.00 C ATOM 0 H ILE A 65 7.629 -6.833 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 65 7.190 -4.478 -3.342 1.00 0.00 H new ATOM 0 HB ILE A 65 5.704 -5.418 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.806 -7.279 -2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.187 -6.608 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.790 -4.242 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.149 -3.138 -1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.844 -3.719 -3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.919 -7.181 -4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.682 -5.423 -4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.326 -6.104 -4.498 1.00 0.00 H new ATOM 1026 N ILE A 66 7.998 -2.587 -1.958 1.00 0.00 N ATOM 1027 CA ILE A 66 8.500 -1.450 -1.198 1.00 0.00 C ATOM 1028 C ILE A 66 7.368 -0.480 -0.853 1.00 0.00 C ATOM 1029 O ILE A 66 6.413 -0.331 -1.617 1.00 0.00 O ATOM 1030 CB ILE A 66 9.591 -0.703 -1.992 1.00 0.00 C ATOM 1031 CG1 ILE A 66 10.761 -1.640 -2.310 1.00 0.00 C ATOM 1032 CG2 ILE A 66 10.080 0.520 -1.225 1.00 0.00 C ATOM 1033 CD1 ILE A 66 11.386 -1.386 -3.664 1.00 0.00 C ATOM 0 H ILE A 66 7.906 -2.413 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 66 8.930 -1.835 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 66 9.154 -0.363 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.524 -1.530 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.412 -2.672 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.849 1.030 -1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.245 1.199 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.496 0.207 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.207 -2.085 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.636 -1.525 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.766 -0.365 -3.704 1.00 0.00 H new ATOM 1045 N THR A 67 7.484 0.177 0.303 1.00 0.00 N ATOM 1046 CA THR A 67 6.475 1.134 0.753 1.00 0.00 C ATOM 1047 C THR A 67 7.131 2.391 1.328 1.00 0.00 C ATOM 1048 O THR A 67 7.771 2.339 2.381 1.00 0.00 O ATOM 1049 CB THR A 67 5.563 0.498 1.810 1.00 0.00 C ATOM 1050 OG1 THR A 67 6.321 0.020 2.906 1.00 0.00 O ATOM 1051 CG2 THR A 67 4.740 -0.661 1.289 1.00 0.00 C ATOM 0 H THR A 67 8.269 0.062 0.944 1.00 0.00 H new ATOM 0 HA THR A 67 5.875 1.417 -0.112 1.00 0.00 H new ATOM 0 HB THR A 67 4.884 1.296 2.110 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.085 0.614 3.059 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.121 -1.058 2.093 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.101 -0.317 0.476 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.405 -1.443 0.922 1.00 0.00 H new ATOM 1059 N LEU A 68 6.964 3.517 0.638 1.00 0.00 N ATOM 1060 CA LEU A 68 7.535 4.783 1.087 1.00 0.00 C ATOM 1061 C LEU A 68 6.451 5.691 1.665 1.00 0.00 C ATOM 1062 O LEU A 68 5.619 6.226 0.930 1.00 0.00 O ATOM 1063 CB LEU A 68 8.249 5.487 -0.070 1.00 0.00 C ATOM 1064 CG LEU A 68 9.540 4.816 -0.545 1.00 0.00 C ATOM 1065 CD1 LEU A 68 10.134 5.584 -1.715 1.00 0.00 C ATOM 1066 CD2 LEU A 68 10.544 4.713 0.596 1.00 0.00 C ATOM 0 H LEU A 68 6.438 3.578 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 68 8.261 4.569 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.562 5.553 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.480 6.508 0.234 1.00 0.00 H new ATOM 0 HG LEU A 68 9.302 3.806 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.052 5.096 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.420 5.603 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.357 6.605 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.455 4.233 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.781 5.711 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.116 4.121 1.405 1.00 0.00 H new ATOM 1078 N ILE A 69 6.468 5.856 2.986 1.00 0.00 N ATOM 1079 CA ILE A 69 5.491 6.697 3.672 1.00 0.00 C ATOM 1080 C ILE A 69 5.985 8.139 3.759 1.00 0.00 C ATOM 1081 O ILE A 69 6.813 8.469 4.610 1.00 0.00 O ATOM 1082 CB ILE A 69 5.197 6.179 5.099 1.00 0.00 C ATOM 1083 CG1 ILE A 69 4.960 4.665 5.090 1.00 0.00 C ATOM 1084 CG2 ILE A 69 3.997 6.905 5.691 1.00 0.00 C ATOM 1085 CD1 ILE A 69 4.901 4.052 6.474 1.00 0.00 C ATOM 0 H ILE A 69 7.150 5.417 3.604 1.00 0.00 H new ATOM 0 HA ILE A 69 4.572 6.659 3.088 1.00 0.00 H new ATOM 0 HB ILE A 69 6.067 6.383 5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.026 4.455 4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.757 4.184 4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.803 6.529 6.695 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.205 7.974 5.738 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.122 6.733 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.731 2.979 6.390 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.844 4.230 6.991 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.086 4.505 7.038 1.00 0.00 H new ATOM 1097 N ASN A 70 5.470 8.994 2.872 1.00 0.00 N ATOM 1098 CA ASN A 70 5.853 10.405 2.840 1.00 0.00 C ATOM 1099 C ASN A 70 7.361 10.558 2.619 1.00 0.00 C ATOM 1100 O ASN A 70 8.048 11.236 3.386 1.00 0.00 O ATOM 1101 CB ASN A 70 5.423 11.101 4.139 1.00 0.00 C ATOM 1102 CG ASN A 70 5.047 12.558 3.930 1.00 0.00 C ATOM 1103 OD1 ASN A 70 4.896 13.018 2.798 1.00 0.00 O ATOM 1104 ND2 ASN A 70 4.892 13.294 5.026 1.00 0.00 N ATOM 0 H ASN A 70 4.784 8.731 2.164 1.00 0.00 H new ATOM 0 HA ASN A 70 5.341 10.881 2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.573 10.569 4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.235 11.040 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.639 14.279 4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.026 12.874 5.946 1.00 0.00 H new ATOM 1111 N ASP A 71 7.866 9.918 1.561 1.00 0.00 N ATOM 1112 CA ASP A 71 9.289 9.969 1.222 1.00 0.00 C ATOM 1113 C ASP A 71 10.151 9.403 2.357 1.00 0.00 C ATOM 1114 O ASP A 71 11.279 9.850 2.575 1.00 0.00 O ATOM 1115 CB ASP A 71 9.712 11.408 0.901 1.00 0.00 C ATOM 1116 CG ASP A 71 9.196 11.882 -0.445 1.00 0.00 C ATOM 1117 OD1 ASP A 71 7.989 11.706 -0.718 1.00 0.00 O ATOM 1118 OD2 ASP A 71 9.999 12.430 -1.229 1.00 0.00 O ATOM 0 H ASP A 71 7.305 9.355 0.921 1.00 0.00 H new ATOM 0 HA ASP A 71 9.445 9.350 0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.344 12.074 1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.800 11.474 0.913 1.00 0.00 H new ATOM 1123 N THR A 72 9.615 8.411 3.069 1.00 0.00 N ATOM 1124 CA THR A 72 10.333 7.778 4.174 1.00 0.00 C ATOM 1125 C THR A 72 10.151 6.263 4.130 1.00 0.00 C ATOM 1126 O THR A 72 9.155 5.767 3.600 1.00 0.00 O ATOM 1127 CB THR A 72 9.849 8.325 5.525 1.00 0.00 C ATOM 1128 OG1 THR A 72 9.332 9.639 5.392 1.00 0.00 O ATOM 1129 CG2 THR A 72 10.936 8.373 6.575 1.00 0.00 C ATOM 0 H THR A 72 8.685 8.029 2.899 1.00 0.00 H new ATOM 0 HA THR A 72 11.392 8.011 4.065 1.00 0.00 H new ATOM 0 HB THR A 72 9.075 7.629 5.848 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.396 9.595 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.527 8.769 7.504 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.320 7.368 6.747 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.745 9.017 6.231 1.00 0.00 H new ATOM 1137 N ASP A 73 11.114 5.533 4.691 1.00 0.00 N ATOM 1138 CA ASP A 73 11.051 4.073 4.714 1.00 0.00 C ATOM 1139 C ASP A 73 10.141 3.591 5.841 1.00 0.00 C ATOM 1140 O ASP A 73 10.288 4.011 6.989 1.00 0.00 O ATOM 1141 CB ASP A 73 12.452 3.475 4.877 1.00 0.00 C ATOM 1142 CG ASP A 73 13.002 2.929 3.574 1.00 0.00 C ATOM 1143 OD1 ASP A 73 13.575 3.719 2.796 1.00 0.00 O ATOM 1144 OD2 ASP A 73 12.855 1.713 3.332 1.00 0.00 O ATOM 0 H ASP A 73 11.944 5.927 5.134 1.00 0.00 H new ATOM 0 HA ASP A 73 10.636 3.737 3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.128 4.239 5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.419 2.676 5.618 1.00 0.00 H new ATOM 1149 N TRP A 74 9.197 2.712 5.502 1.00 0.00 N ATOM 1150 CA TRP A 74 8.257 2.177 6.489 1.00 0.00 C ATOM 1151 C TRP A 74 8.985 1.552 7.681 1.00 0.00 C ATOM 1152 O TRP A 74 8.497 1.612 8.810 1.00 0.00 O ATOM 1153 CB TRP A 74 7.310 1.151 5.848 1.00 0.00 C ATOM 1154 CG TRP A 74 7.976 -0.108 5.355 1.00 0.00 C ATOM 1155 CD1 TRP A 74 9.231 -0.235 4.826 1.00 0.00 C ATOM 1156 CD2 TRP A 74 7.400 -1.422 5.328 1.00 0.00 C ATOM 1157 NE1 TRP A 74 9.472 -1.543 4.485 1.00 0.00 N ATOM 1158 CE2 TRP A 74 8.364 -2.292 4.783 1.00 0.00 C ATOM 1159 CE3 TRP A 74 6.164 -1.947 5.717 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 8.127 -3.655 4.616 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 5.932 -3.300 5.551 1.00 0.00 C ATOM 1162 CH2 TRP A 74 6.909 -4.140 5.005 1.00 0.00 C ATOM 0 H TRP A 74 9.063 2.356 4.555 1.00 0.00 H new ATOM 0 HA TRP A 74 7.666 3.015 6.857 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.546 0.879 6.576 1.00 0.00 H new ATOM 0 HB3 TRP A 74 6.798 1.625 5.011 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.931 0.577 4.695 1.00 0.00 H new ATOM 0 HE1 TRP A 74 10.336 -1.899 4.076 1.00 0.00 H new ATOM 0 HE3 TRP A 74 5.404 -1.307 6.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.879 -4.306 4.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 4.980 -3.716 5.848 1.00 0.00 H new ATOM 0 HH2 TRP A 74 6.697 -5.193 4.888 1.00 0.00 H new ATOM 1173 N GLU A 75 10.153 0.961 7.425 1.00 0.00 N ATOM 1174 CA GLU A 75 10.947 0.334 8.478 1.00 0.00 C ATOM 1175 C GLU A 75 11.741 1.381 9.260 1.00 0.00 C ATOM 1176 O GLU A 75 11.973 1.225 10.460 1.00 0.00 O ATOM 1177 CB GLU A 75 11.895 -0.709 7.879 1.00 0.00 C ATOM 1178 CG GLU A 75 11.185 -1.940 7.327 1.00 0.00 C ATOM 1179 CD GLU A 75 11.907 -3.239 7.643 1.00 0.00 C ATOM 1180 OE1 GLU A 75 13.157 -3.240 7.668 1.00 0.00 O ATOM 1181 OE2 GLU A 75 11.220 -4.259 7.860 1.00 0.00 O ATOM 0 H GLU A 75 10.569 0.904 6.495 1.00 0.00 H new ATOM 0 HA GLU A 75 10.265 -0.163 9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.472 -0.245 7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.605 -1.023 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.176 -1.984 7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.086 -1.840 6.246 1.00 0.00 H new ATOM 1188 N LEU A 76 12.153 2.450 8.573 1.00 0.00 N ATOM 1189 CA LEU A 76 12.920 3.527 9.203 1.00 0.00 C ATOM 1190 C LEU A 76 12.170 4.124 10.396 1.00 0.00 C ATOM 1191 O LEU A 76 12.790 4.585 11.354 1.00 0.00 O ATOM 1192 CB LEU A 76 13.231 4.626 8.181 1.00 0.00 C ATOM 1193 CG LEU A 76 14.329 5.612 8.597 1.00 0.00 C ATOM 1194 CD1 LEU A 76 15.080 6.124 7.375 1.00 0.00 C ATOM 1195 CD2 LEU A 76 13.740 6.776 9.388 1.00 0.00 C ATOM 0 H LEU A 76 11.968 2.592 7.580 1.00 0.00 H new ATOM 0 HA LEU A 76 13.853 3.099 9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.524 4.155 7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.317 5.186 7.984 1.00 0.00 H new ATOM 0 HG LEU A 76 15.034 5.084 9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.855 6.822 7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.539 5.285 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.384 6.632 6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.537 7.463 9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.010 7.302 8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.251 6.396 10.285 1.00 0.00 H new ATOM 1207 N GLU A 77 10.836 4.116 10.333 1.00 0.00 N ATOM 1208 CA GLU A 77 10.017 4.660 11.413 1.00 0.00 C ATOM 1209 C GLU A 77 9.068 3.599 11.986 1.00 0.00 C ATOM 1210 O GLU A 77 8.013 3.931 12.531 1.00 0.00 O ATOM 1211 CB GLU A 77 9.217 5.869 10.912 1.00 0.00 C ATOM 1212 CG GLU A 77 8.215 5.531 9.813 1.00 0.00 C ATOM 1213 CD GLU A 77 7.526 6.757 9.239 1.00 0.00 C ATOM 1214 OE1 GLU A 77 7.211 7.685 10.015 1.00 0.00 O ATOM 1215 OE2 GLU A 77 7.299 6.789 8.011 1.00 0.00 O ATOM 0 H GLU A 77 10.304 3.740 9.548 1.00 0.00 H new ATOM 0 HA GLU A 77 10.686 4.978 12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.684 6.314 11.752 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.911 6.623 10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.729 5.001 9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.462 4.852 10.212 1.00 0.00 H new ATOM 1222 N GLY A 78 9.448 2.323 11.869 1.00 0.00 N ATOM 1223 CA GLY A 78 8.616 1.248 12.386 1.00 0.00 C ATOM 1224 C GLY A 78 8.285 0.203 11.337 1.00 0.00 C ATOM 1225 O GLY A 78 9.117 -0.650 11.023 1.00 0.00 O ATOM 0 H GLY A 78 10.315 2.018 11.426 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.127 0.769 13.221 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.690 1.668 12.778 1.00 0.00 H new ATOM 1229 N GLU A 79 7.067 0.279 10.797 1.00 0.00 N ATOM 1230 CA GLU A 79 6.599 -0.657 9.769 1.00 0.00 C ATOM 1231 C GLU A 79 5.113 -0.432 9.475 1.00 0.00 C ATOM 1232 O GLU A 79 4.761 0.237 8.502 1.00 0.00 O ATOM 1233 CB GLU A 79 6.841 -2.112 10.198 1.00 0.00 C ATOM 1234 CG GLU A 79 7.982 -2.784 9.447 1.00 0.00 C ATOM 1235 CD GLU A 79 7.624 -4.168 8.935 1.00 0.00 C ATOM 1236 OE1 GLU A 79 6.504 -4.341 8.410 1.00 0.00 O ATOM 1237 OE2 GLU A 79 8.466 -5.080 9.057 1.00 0.00 O ATOM 0 H GLU A 79 6.380 0.986 11.057 1.00 0.00 H new ATOM 0 HA GLU A 79 7.169 -0.470 8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.055 -2.137 11.266 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.927 -2.685 10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.275 -2.156 8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.848 -2.859 10.105 1.00 0.00 H new ATOM 1244 N LYS A 80 4.246 -0.986 10.327 1.00 0.00 N ATOM 1245 CA LYS A 80 2.798 -0.838 10.164 1.00 0.00 C ATOM 1246 C LYS A 80 2.207 0.060 11.253 1.00 0.00 C ATOM 1247 O LYS A 80 1.154 0.670 11.055 1.00 0.00 O ATOM 1248 CB LYS A 80 2.115 -2.208 10.193 1.00 0.00 C ATOM 1249 CG LYS A 80 0.599 -2.142 10.066 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.012 -3.532 9.985 1.00 0.00 C ATOM 1251 CE LYS A 80 -1.375 -3.585 10.657 1.00 0.00 C ATOM 1252 NZ LYS A 80 -1.742 -4.971 11.060 1.00 0.00 N ATOM 0 H LYS A 80 4.522 -1.541 11.137 1.00 0.00 H new ATOM 0 HA LYS A 80 2.618 -0.368 9.197 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.512 -2.819 9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.371 -2.711 11.125 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.184 -1.610 10.922 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.331 -1.573 9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.109 -3.827 8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.656 -4.252 10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.372 -2.940 11.536 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.131 -3.193 9.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.678 -4.964 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.770 -5.581 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.035 -5.337 11.729 1.00 0.00 H new ATOM 1266 N ASP A 81 2.886 0.134 12.402 1.00 0.00 N ATOM 1267 CA ASP A 81 2.426 0.956 13.522 1.00 0.00 C ATOM 1268 C ASP A 81 2.169 2.403 13.093 1.00 0.00 C ATOM 1269 O ASP A 81 1.364 3.102 13.711 1.00 0.00 O ATOM 1270 CB ASP A 81 3.446 0.922 14.666 1.00 0.00 C ATOM 1271 CG ASP A 81 2.852 1.360 15.993 1.00 0.00 C ATOM 1272 OD1 ASP A 81 1.710 0.954 16.300 1.00 0.00 O ATOM 1273 OD2 ASP A 81 3.531 2.107 16.728 1.00 0.00 O ATOM 0 H ASP A 81 3.757 -0.367 12.579 1.00 0.00 H new ATOM 0 HA ASP A 81 1.482 0.536 13.870 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.841 -0.089 14.765 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.287 1.570 14.417 1.00 0.00 H new ATOM 1278 N TYR A 82 2.850 2.848 12.032 1.00 0.00 N ATOM 1279 CA TYR A 82 2.682 4.208 11.525 1.00 0.00 C ATOM 1280 C TYR A 82 1.204 4.513 11.273 1.00 0.00 C ATOM 1281 O TYR A 82 0.572 3.896 10.412 1.00 0.00 O ATOM 1282 CB TYR A 82 3.484 4.400 10.233 1.00 0.00 C ATOM 1283 CG TYR A 82 3.277 5.755 9.585 1.00 0.00 C ATOM 1284 CD1 TYR A 82 2.229 5.969 8.698 1.00 0.00 C ATOM 1285 CD2 TYR A 82 4.128 6.818 9.863 1.00 0.00 C ATOM 1286 CE1 TYR A 82 2.033 7.202 8.109 1.00 0.00 C ATOM 1287 CE2 TYR A 82 3.939 8.056 9.277 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.892 8.243 8.399 1.00 0.00 C ATOM 1289 OH TYR A 82 2.699 9.474 7.813 1.00 0.00 O ATOM 0 H TYR A 82 3.521 2.285 11.510 1.00 0.00 H new ATOM 0 HA TYR A 82 3.056 4.900 12.279 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.544 4.269 10.451 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.205 3.621 9.523 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.556 5.157 8.465 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.951 6.675 10.548 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.211 7.352 7.424 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.608 8.872 9.506 1.00 0.00 H new ATOM 0 HH TYR A 82 3.389 10.096 8.124 1.00 0.00 H new ATOM 1299 N ILE A 83 0.664 5.468 12.026 1.00 0.00 N ATOM 1300 CA ILE A 83 -0.734 5.859 11.884 1.00 0.00 C ATOM 1301 C ILE A 83 -0.931 6.714 10.632 1.00 0.00 C ATOM 1302 O ILE A 83 -0.080 7.539 10.297 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.237 6.639 13.121 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -0.875 5.895 14.413 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.742 6.860 13.037 1.00 0.00 C ATOM 1306 CD1 ILE A 83 0.317 6.481 15.141 1.00 0.00 C ATOM 0 H ILE A 83 1.175 5.985 12.741 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.316 4.942 11.794 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.745 7.612 13.136 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.737 5.904 15.080 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.667 4.852 14.175 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.079 7.410 13.916 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.976 7.432 12.139 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.250 5.896 12.996 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.512 5.902 16.044 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.192 6.447 14.492 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.105 7.515 15.412 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.055 6.512 9.944 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.362 7.263 8.730 1.00 0.00 C ATOM 1320 C LEU A 84 -2.510 8.755 9.033 1.00 0.00 C ATOM 1321 O LEU A 84 -2.463 9.170 10.192 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.643 6.725 8.081 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.489 5.399 7.323 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.793 5.022 6.632 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.353 5.481 6.312 1.00 0.00 C ATOM 0 H LEU A 84 -2.768 5.833 10.209 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.533 7.136 8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.397 6.595 8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.024 7.477 7.390 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.245 4.621 8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.664 4.079 6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.581 4.913 7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.069 5.803 5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.263 4.530 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.562 6.273 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.419 5.699 6.831 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.688 9.554 7.981 1.00 0.00 N ATOM 1338 CA GLU A 85 -2.837 10.995 8.127 1.00 0.00 C ATOM 1339 C GLU A 85 -3.488 11.599 6.890 1.00 0.00 C ATOM 1340 O GLU A 85 -2.816 11.869 5.892 1.00 0.00 O ATOM 1341 CB GLU A 85 -1.477 11.657 8.365 1.00 0.00 C ATOM 1342 CG GLU A 85 -1.266 12.128 9.795 1.00 0.00 C ATOM 1343 CD GLU A 85 -2.089 13.358 10.134 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -1.971 14.371 9.414 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -2.852 13.307 11.122 1.00 0.00 O ATOM 0 H GLU A 85 -2.732 9.223 7.017 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.478 11.178 8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.689 10.950 8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.375 12.509 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.526 11.322 10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.210 12.349 9.948 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.798 11.809 6.964 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.553 12.389 5.856 1.00 0.00 C ATOM 1354 C ASP A 86 -4.824 13.605 5.283 1.00 0.00 C ATOM 1355 O ASP A 86 -4.716 14.645 5.939 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.957 12.792 6.320 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.910 13.063 5.167 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -7.452 13.128 4.007 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -9.120 13.211 5.428 1.00 0.00 O ATOM 0 H ASP A 86 -5.362 11.585 7.784 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.641 11.635 5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.368 11.999 6.945 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.886 13.684 6.942 1.00 0.00 H new ATOM 1364 N GLY A 87 -4.317 13.456 4.060 1.00 0.00 N ATOM 1365 CA GLY A 87 -3.590 14.535 3.411 1.00 0.00 C ATOM 1366 C GLY A 87 -2.104 14.238 3.267 1.00 0.00 C ATOM 1367 O GLY A 87 -1.287 15.159 3.202 1.00 0.00 O ATOM 0 H GLY A 87 -4.398 12.604 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.018 14.714 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.719 15.452 3.986 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.752 12.952 3.217 1.00 0.00 N ATOM 1372 CA ASP A 88 -0.360 12.533 3.082 1.00 0.00 C ATOM 1373 C ASP A 88 -0.140 11.776 1.774 1.00 0.00 C ATOM 1374 O ASP A 88 -1.086 11.534 1.021 1.00 0.00 O ATOM 1375 CB ASP A 88 0.037 11.651 4.269 1.00 0.00 C ATOM 1376 CG ASP A 88 1.198 12.222 5.058 1.00 0.00 C ATOM 1377 OD1 ASP A 88 1.047 13.325 5.626 1.00 0.00 O ATOM 1378 OD2 ASP A 88 2.259 11.566 5.109 1.00 0.00 O ATOM 0 H ASP A 88 -2.417 12.181 3.268 1.00 0.00 H new ATOM 0 HA ASP A 88 0.266 13.425 3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.821 11.530 4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.303 10.658 3.906 1.00 0.00 H new ATOM 1383 N ILE A 89 1.115 11.404 1.508 1.00 0.00 N ATOM 1384 CA ILE A 89 1.456 10.675 0.289 1.00 0.00 C ATOM 1385 C ILE A 89 2.151 9.349 0.603 1.00 0.00 C ATOM 1386 O ILE A 89 2.802 9.204 1.640 1.00 0.00 O ATOM 1387 CB ILE A 89 2.357 11.513 -0.642 1.00 0.00 C ATOM 1388 CG1 ILE A 89 1.747 12.900 -0.866 1.00 0.00 C ATOM 1389 CG2 ILE A 89 2.558 10.799 -1.974 1.00 0.00 C ATOM 1390 CD1 ILE A 89 2.510 13.739 -1.865 1.00 0.00 C ATOM 0 H ILE A 89 1.908 11.596 2.120 1.00 0.00 H new ATOM 0 HA ILE A 89 0.515 10.470 -0.221 1.00 0.00 H new ATOM 0 HB ILE A 89 3.330 11.634 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.719 12.785 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.707 13.429 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.196 11.404 -2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.030 9.832 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.592 10.650 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.022 14.708 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.531 13.885 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.527 13.231 -2.829 1.00 0.00 H new ATOM 1402 N ILE A 90 2.000 8.388 -0.309 1.00 0.00 N ATOM 1403 CA ILE A 90 2.601 7.062 -0.153 1.00 0.00 C ATOM 1404 C ILE A 90 3.120 6.532 -1.493 1.00 0.00 C ATOM 1405 O ILE A 90 2.613 6.901 -2.553 1.00 0.00 O ATOM 1406 CB ILE A 90 1.587 6.048 0.432 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.052 6.534 1.782 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.220 4.670 0.581 1.00 0.00 C ATOM 1409 CD1 ILE A 90 -0.236 7.321 1.676 1.00 0.00 C ATOM 0 H ILE A 90 1.463 8.504 -1.169 1.00 0.00 H new ATOM 0 HA ILE A 90 3.435 7.171 0.540 1.00 0.00 H new ATOM 0 HB ILE A 90 0.752 5.970 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.889 5.673 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.809 7.155 2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.488 3.976 0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.548 4.313 -0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.077 4.734 1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.555 7.632 2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.074 8.202 1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.008 6.697 1.226 1.00 0.00 H new ATOM 1421 N SER A 91 4.131 5.663 -1.437 1.00 0.00 N ATOM 1422 CA SER A 91 4.716 5.080 -2.646 1.00 0.00 C ATOM 1423 C SER A 91 4.852 3.564 -2.515 1.00 0.00 C ATOM 1424 O SER A 91 5.227 3.056 -1.459 1.00 0.00 O ATOM 1425 CB SER A 91 6.089 5.695 -2.936 1.00 0.00 C ATOM 1426 OG SER A 91 6.267 6.921 -2.244 1.00 0.00 O ATOM 0 H SER A 91 4.562 5.348 -0.568 1.00 0.00 H new ATOM 0 HA SER A 91 4.044 5.301 -3.475 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.871 4.994 -2.644 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.195 5.862 -4.008 1.00 0.00 H new ATOM 0 HG SER A 91 7.153 7.287 -2.449 1.00 0.00 H new ATOM 1432 N PHE A 92 4.550 2.849 -3.599 1.00 0.00 N ATOM 1433 CA PHE A 92 4.643 1.390 -3.612 1.00 0.00 C ATOM 1434 C PHE A 92 5.478 0.907 -4.799 1.00 0.00 C ATOM 1435 O PHE A 92 4.950 0.677 -5.890 1.00 0.00 O ATOM 1436 CB PHE A 92 3.245 0.766 -3.662 1.00 0.00 C ATOM 1437 CG PHE A 92 2.577 0.671 -2.319 1.00 0.00 C ATOM 1438 CD1 PHE A 92 1.981 1.783 -1.747 1.00 0.00 C ATOM 1439 CD2 PHE A 92 2.543 -0.531 -1.632 1.00 0.00 C ATOM 1440 CE1 PHE A 92 1.365 1.698 -0.514 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.928 -0.623 -0.399 1.00 0.00 C ATOM 1442 CZ PHE A 92 1.338 0.493 0.161 1.00 0.00 C ATOM 0 H PHE A 92 4.239 3.258 -4.480 1.00 0.00 H new ATOM 0 HA PHE A 92 5.137 1.074 -2.693 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.617 1.356 -4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.318 -0.232 -4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.998 2.727 -2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.003 -1.407 -2.066 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.905 2.572 -0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.908 -1.566 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.856 0.424 1.125 1.00 0.00 H new ATOM 1452 N THR A 93 6.785 0.757 -4.577 1.00 0.00 N ATOM 1453 CA THR A 93 7.699 0.303 -5.626 1.00 0.00 C ATOM 1454 C THR A 93 7.893 -1.212 -5.571 1.00 0.00 C ATOM 1455 O THR A 93 7.597 -1.849 -4.558 1.00 0.00 O ATOM 1456 CB THR A 93 9.058 1.008 -5.502 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.249 1.524 -4.195 1.00 0.00 O ATOM 1458 CG2 THR A 93 9.228 2.154 -6.476 1.00 0.00 C ATOM 0 H THR A 93 7.234 0.943 -3.680 1.00 0.00 H new ATOM 0 HA THR A 93 7.253 0.559 -6.587 1.00 0.00 H new ATOM 0 HB THR A 93 9.797 0.240 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.122 1.966 -4.142 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.209 2.608 -6.336 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.144 1.780 -7.496 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.454 2.900 -6.298 1.00 0.00 H new ATOM 1466 N SER A 94 8.390 -1.784 -6.668 1.00 0.00 N ATOM 1467 CA SER A 94 8.623 -3.224 -6.747 1.00 0.00 C ATOM 1468 C SER A 94 9.704 -3.548 -7.776 1.00 0.00 C ATOM 1469 O SER A 94 9.457 -3.508 -8.983 1.00 0.00 O ATOM 1470 CB SER A 94 7.324 -3.952 -7.106 1.00 0.00 C ATOM 1471 OG SER A 94 6.530 -4.180 -5.954 1.00 0.00 O ATOM 0 H SER A 94 8.639 -1.271 -7.514 1.00 0.00 H new ATOM 0 HA SER A 94 8.966 -3.565 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.761 -3.361 -7.828 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.557 -4.903 -7.585 1.00 0.00 H new ATOM 0 HG SER A 94 6.738 -3.505 -5.274 1.00 0.00 H new ATOM 1477 N THR A 95 10.904 -3.867 -7.292 1.00 0.00 N ATOM 1478 CA THR A 95 12.023 -4.197 -8.172 1.00 0.00 C ATOM 1479 C THR A 95 12.279 -5.708 -8.193 1.00 0.00 C ATOM 1480 O THR A 95 11.818 -6.404 -9.098 1.00 0.00 O ATOM 1481 CB THR A 95 13.288 -3.437 -7.745 1.00 0.00 C ATOM 1482 OG1 THR A 95 13.644 -3.744 -6.405 1.00 0.00 O ATOM 1483 CG2 THR A 95 13.141 -1.933 -7.854 1.00 0.00 C ATOM 0 H THR A 95 11.125 -3.904 -6.297 1.00 0.00 H new ATOM 0 HA THR A 95 11.761 -3.887 -9.184 1.00 0.00 H new ATOM 0 HB THR A 95 14.066 -3.764 -8.435 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.453 -3.248 -6.160 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.067 -1.453 -7.538 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.926 -1.662 -8.888 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.324 -1.600 -7.214 1.00 0.00 H new ATOM 1491 N LEU A 96 13.013 -6.205 -7.190 1.00 0.00 N ATOM 1492 CA LEU A 96 13.334 -7.632 -7.083 1.00 0.00 C ATOM 1493 C LEU A 96 13.924 -8.175 -8.387 1.00 0.00 C ATOM 1494 O LEU A 96 13.203 -8.710 -9.232 1.00 0.00 O ATOM 1495 CB LEU A 96 12.085 -8.433 -6.699 1.00 0.00 C ATOM 1496 CG LEU A 96 12.344 -9.667 -5.825 1.00 0.00 C ATOM 1497 CD1 LEU A 96 11.032 -10.345 -5.456 1.00 0.00 C ATOM 1498 CD2 LEU A 96 13.270 -10.646 -6.537 1.00 0.00 C ATOM 0 H LEU A 96 13.398 -5.635 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 96 14.086 -7.743 -6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.397 -7.772 -6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 96 11.583 -8.753 -7.612 1.00 0.00 H new ATOM 0 HG LEU A 96 12.833 -9.340 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.235 -11.218 -4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.404 -9.646 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.516 -10.657 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.441 -11.514 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.811 -10.967 -7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.222 -10.158 -6.749 1.00 0.00 H new ATOM 1510 N HIS A 97 15.242 -8.042 -8.539 1.00 0.00 N ATOM 1511 CA HIS A 97 15.931 -8.526 -9.738 1.00 0.00 C ATOM 1512 C HIS A 97 17.109 -9.431 -9.370 1.00 0.00 C ATOM 1513 O HIS A 97 18.178 -9.356 -9.981 1.00 0.00 O ATOM 1514 CB HIS A 97 16.417 -7.349 -10.591 1.00 0.00 C ATOM 1515 CG HIS A 97 17.310 -6.396 -9.855 1.00 0.00 C ATOM 1516 ND1 HIS A 97 16.835 -5.432 -8.991 1.00 0.00 N ATOM 1517 CD2 HIS A 97 18.659 -6.268 -9.852 1.00 0.00 C ATOM 1518 CE1 HIS A 97 17.852 -4.754 -8.489 1.00 0.00 C ATOM 1519 NE2 HIS A 97 18.970 -5.243 -8.994 1.00 0.00 N ATOM 0 H HIS A 97 15.853 -7.605 -7.850 1.00 0.00 H new ATOM 0 HA HIS A 97 15.218 -9.112 -10.319 1.00 0.00 H new ATOM 0 HB2 HIS A 97 16.952 -7.737 -11.458 1.00 0.00 H new ATOM 0 HB3 HIS A 97 15.552 -6.804 -10.968 1.00 0.00 H new ATOM 0 HD2 HIS A 97 19.360 -6.862 -10.420 1.00 0.00 H new ATOM 0 HE1 HIS A 97 17.781 -3.938 -7.785 1.00 0.00 H new ATOM 0 HE2 HIS A 97 19.911 -4.913 -8.781 1.00 0.00 H new ATOM 1528 N GLY A 98 16.904 -10.289 -8.372 1.00 0.00 N ATOM 1529 CA GLY A 98 17.952 -11.197 -7.942 1.00 0.00 C ATOM 1530 C GLY A 98 18.152 -11.193 -6.439 1.00 0.00 C ATOM 1531 O GLY A 98 17.501 -10.431 -5.720 1.00 0.00 O ATOM 0 H GLY A 98 16.029 -10.370 -7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.708 -12.208 -8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 98 18.887 -10.922 -8.429 1.00 0.00 H new ATOM 1535 N GLY A 99 19.057 -12.048 -5.965 1.00 0.00 N ATOM 1536 CA GLY A 99 19.336 -12.132 -4.541 1.00 0.00 C ATOM 1537 C GLY A 99 20.288 -11.050 -4.063 1.00 0.00 C ATOM 1538 O GLY A 99 21.198 -10.671 -4.833 1.00 0.00 O ATOM 0 H GLY A 99 19.603 -12.686 -6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.400 -12.057 -3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.762 -13.110 -4.316 1.00 0.00 H new TER 1542 GLY A 99