USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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 51 THR OG1 : rot -118:sc= 0.052 USER MOD Set 1.2: A 82 THR OG1 : rot -10:sc= -2.16 USER MOD Set 2.1: A 67 TYR OH : rot 94:sc= 1.36 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 27 CYS SG : rot 85:sc= -1.85 USER MOD Set 3.2: A 66 CYS SG : rot 102:sc= 1.14 USER MOD Set 4.1: A 23 ASN : amide:sc= -3.57! C(o=-7.3!,f=-7.6!) USER MOD Set 4.2: A 28 THR OG1 : rot -160:sc= -3.73 USER MOD Set 5.1: A 19 SER OG : rot 110:sc= -2.01! USER MOD Set 5.2: A 103 GLN : amide:sc= -0.957 K(o=-3,f=-5.7!) USER MOD Set 6.1: A 5 ASN :FLIP amide:sc= -3.8! F(o=-4.9,f=-3.4!) USER MOD Set 6.2: A 78 SER OG : rot 28:sc= 0.427 USER MOD Single : A 1 LEU N :NH3+ 153:sc= 0 (180deg=-0.0514) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 177:sc= -1.09 (180deg=-1.1) USER MOD Single : A 10 LYS NZ :NH3+ -148:sc= -4.01 (180deg=-7.51!) USER MOD Single : A 11 LYS NZ :NH3+ 136:sc= 0.0145 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= -0.205 (180deg=-1.28) USER MOD Single : A 21 SER OG : rot 180:sc= -0.949 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 36 GLN : amide:sc= -8.24! C(o=-8.2!,f=-11!) USER MOD Single : A 37 TYR OH : rot -95:sc= 1.14 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 1.15 (180deg=1.15) USER MOD Single : A 45 GLN : amide:sc= -0.926 K(o=-0.93,f=-1.8!) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.376) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.928 K(o=-0.93,f=-5.7!) USER MOD Single : A 74 ASN : amide:sc= 0.195 K(o=0.19,f=-1.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 168:sc= -0.943 (180deg=-1.33) USER MOD Single : A 104 TYR OH : rot -106:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.407 -10.097 -13.847 1.00 0.00 N ATOM 2 CA LEU A 1 -1.122 -9.142 -12.743 1.00 0.00 C ATOM 3 C LEU A 1 -0.762 -7.764 -13.287 1.00 0.00 C ATOM 4 O LEU A 1 0.401 -7.487 -13.583 1.00 0.00 O ATOM 5 CB LEU A 1 0.028 -9.699 -11.900 1.00 0.00 C ATOM 6 CG LEU A 1 -0.393 -10.381 -10.599 1.00 0.00 C ATOM 7 CD1 LEU A 1 -1.297 -11.571 -10.887 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.829 -10.819 -9.806 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.200 -11.066 -13.530 1.00 0.00 H new ATOM 0 H2 LEU A 1 -2.409 -10.027 -14.116 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.811 -9.867 -14.668 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.015 -9.027 -12.128 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.586 -10.415 -12.503 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.710 -8.883 -11.660 1.00 0.00 H new ATOM 0 HG LEU A 1 -0.952 -9.662 -10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -1.586 -12.044 -9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -2.190 -11.231 -11.412 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -0.763 -12.292 -11.507 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.510 -11.303 -8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.415 -11.521 -10.399 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.439 -9.948 -9.567 1.00 0.00 H new ATOM 22 N GLU A 2 -1.765 -6.901 -13.413 1.00 0.00 N ATOM 23 CA GLU A 2 -1.550 -5.551 -13.920 1.00 0.00 C ATOM 24 C GLU A 2 -0.655 -4.756 -12.980 1.00 0.00 C ATOM 25 O GLU A 2 -0.482 -5.115 -11.816 1.00 0.00 O ATOM 26 CB GLU A 2 -2.887 -4.824 -14.093 1.00 0.00 C ATOM 27 CG GLU A 2 -2.984 -4.032 -15.385 1.00 0.00 C ATOM 28 CD GLU A 2 -3.507 -4.862 -16.540 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.745 -4.981 -16.674 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.682 -5.395 -17.311 1.00 0.00 O ATOM 0 H GLU A 2 -2.733 -7.112 -13.171 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.058 -5.632 -14.889 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.695 -5.555 -14.063 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.036 -4.149 -13.250 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.639 -3.174 -15.233 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.000 -3.640 -15.641 1.00 0.00 H new ATOM 37 N LYS A 3 -0.097 -3.664 -13.491 1.00 0.00 N ATOM 38 CA LYS A 3 0.769 -2.807 -12.695 1.00 0.00 C ATOM 39 C LYS A 3 0.792 -1.392 -13.256 1.00 0.00 C ATOM 40 O LYS A 3 1.023 -1.186 -14.448 1.00 0.00 O ATOM 41 CB LYS A 3 2.195 -3.358 -12.646 1.00 0.00 C ATOM 42 CG LYS A 3 2.278 -4.833 -12.287 1.00 0.00 C ATOM 43 CD LYS A 3 3.724 -5.290 -12.166 1.00 0.00 C ATOM 44 CE LYS A 3 3.946 -6.125 -10.916 1.00 0.00 C ATOM 45 NZ LYS A 3 4.998 -7.161 -11.119 1.00 0.00 N ATOM 0 H LYS A 3 -0.230 -3.353 -14.453 1.00 0.00 H new ATOM 0 HA LYS A 3 0.365 -2.785 -11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.666 -3.204 -13.617 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.770 -2.785 -11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.758 -5.011 -11.346 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.770 -5.424 -13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.997 -5.873 -13.046 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.380 -4.420 -12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.233 -5.474 -10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.011 -6.608 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.119 -7.709 -10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.713 -7.799 -11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.897 -6.699 -11.366 1.00 0.00 H new ATOM 59 N PHE A 4 0.568 -0.419 -12.385 1.00 0.00 N ATOM 60 CA PHE A 4 0.576 0.980 -12.784 1.00 0.00 C ATOM 61 C PHE A 4 1.259 1.819 -11.710 1.00 0.00 C ATOM 62 O PHE A 4 1.645 1.297 -10.666 1.00 0.00 O ATOM 63 CB PHE A 4 -0.848 1.475 -13.054 1.00 0.00 C ATOM 64 CG PHE A 4 -1.671 1.704 -11.818 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.372 0.665 -11.227 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.750 2.965 -11.257 1.00 0.00 C ATOM 67 CE1 PHE A 4 -3.135 0.883 -10.097 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.513 3.187 -10.131 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.206 2.148 -9.549 1.00 0.00 C ATOM 0 H PHE A 4 0.378 -0.574 -11.395 1.00 0.00 H new ATOM 0 HA PHE A 4 1.139 1.082 -13.712 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.795 2.406 -13.618 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.358 0.748 -13.686 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.321 -0.325 -11.655 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.208 3.785 -11.706 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.675 0.065 -9.643 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.568 4.177 -9.704 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.803 2.323 -8.666 1.00 0.00 H new ATOM 79 N ASN A 5 1.430 3.110 -11.971 1.00 0.00 N ATOM 80 CA ASN A 5 2.094 3.990 -11.016 1.00 0.00 C ATOM 81 C ASN A 5 1.128 4.998 -10.408 1.00 0.00 C ATOM 82 O ASN A 5 0.282 5.565 -11.098 1.00 0.00 O ATOM 83 CB ASN A 5 3.250 4.728 -11.700 1.00 0.00 C ATOM 84 CG ASN A 5 4.591 4.429 -11.058 1.00 0.00 C ATOM 85 OD1 ASN A 5 4.648 4.519 -9.734 1.00 0.00 O flip ATOM 86 ND2 ASN A 5 5.566 4.121 -11.744 1.00 0.00 N flip ATOM 0 H ASN A 5 1.121 3.568 -12.828 1.00 0.00 H new ATOM 0 HA ASN A 5 2.480 3.368 -10.208 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.284 4.447 -12.753 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.064 5.801 -11.663 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.478 4.064 -12.759 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.462 3.923 -11.298 1.00 0.00 H new ATOM 93 N VAL A 6 1.277 5.225 -9.108 1.00 0.00 N ATOM 94 CA VAL A 6 0.437 6.176 -8.392 1.00 0.00 C ATOM 95 C VAL A 6 1.292 7.261 -7.761 1.00 0.00 C ATOM 96 O VAL A 6 1.981 7.021 -6.773 1.00 0.00 O ATOM 97 CB VAL A 6 -0.376 5.488 -7.280 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.413 6.439 -6.703 1.00 0.00 C ATOM 99 CG2 VAL A 6 -1.026 4.223 -7.795 1.00 0.00 C ATOM 0 H VAL A 6 1.975 4.761 -8.527 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.251 6.609 -9.119 1.00 0.00 H new ATOM 0 HB VAL A 6 0.309 5.211 -6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.976 5.932 -5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.913 7.312 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.095 6.756 -7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.595 3.754 -6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.696 4.468 -8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.256 3.535 -8.145 1.00 0.00 H new ATOM 109 N ASP A 7 1.246 8.458 -8.325 1.00 0.00 N ATOM 110 CA ASP A 7 2.027 9.562 -7.794 1.00 0.00 C ATOM 111 C ASP A 7 1.123 10.628 -7.195 1.00 0.00 C ATOM 112 O ASP A 7 0.208 11.120 -7.855 1.00 0.00 O ATOM 113 CB ASP A 7 2.891 10.174 -8.898 1.00 0.00 C ATOM 114 CG ASP A 7 2.064 10.693 -10.058 1.00 0.00 C ATOM 115 OD1 ASP A 7 0.956 10.162 -10.281 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.524 11.631 -10.742 1.00 0.00 O ATOM 0 H ASP A 7 0.681 8.688 -9.143 1.00 0.00 H new ATOM 0 HA ASP A 7 2.672 9.174 -7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.482 10.990 -8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.594 9.425 -9.263 1.00 0.00 H new ATOM 121 N LEU A 8 1.395 10.999 -5.948 1.00 0.00 N ATOM 122 CA LEU A 8 0.605 12.028 -5.288 1.00 0.00 C ATOM 123 C LEU A 8 1.465 12.815 -4.314 1.00 0.00 C ATOM 124 O LEU A 8 2.492 12.333 -3.845 1.00 0.00 O ATOM 125 CB LEU A 8 -0.636 11.443 -4.581 1.00 0.00 C ATOM 126 CG LEU A 8 -0.423 10.245 -3.637 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.382 9.141 -4.306 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.230 10.682 -2.332 1.00 0.00 C ATOM 0 H LEU A 8 2.147 10.607 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 8 0.241 12.706 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.104 12.243 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.349 11.143 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.406 9.838 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.512 8.313 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.147 8.791 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.359 9.528 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.368 9.815 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.199 11.134 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.409 11.410 -1.831 1.00 0.00 H new ATOM 140 N MET A 9 1.052 14.037 -4.021 1.00 0.00 N ATOM 141 CA MET A 9 1.802 14.884 -3.110 1.00 0.00 C ATOM 142 C MET A 9 1.682 14.372 -1.686 1.00 0.00 C ATOM 143 O MET A 9 0.597 14.362 -1.105 1.00 0.00 O ATOM 144 CB MET A 9 1.309 16.327 -3.204 1.00 0.00 C ATOM 145 CG MET A 9 2.159 17.193 -4.120 1.00 0.00 C ATOM 146 SD MET A 9 3.119 18.429 -3.225 1.00 0.00 S ATOM 147 CE MET A 9 4.757 17.712 -3.318 1.00 0.00 C ATOM 0 H MET A 9 0.206 14.463 -4.399 1.00 0.00 H new ATOM 0 HA MET A 9 2.854 14.856 -3.396 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.280 16.330 -3.564 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.299 16.766 -2.206 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.836 16.556 -4.688 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.513 17.694 -4.841 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.476 18.387 -2.854 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.766 16.756 -2.794 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.027 17.556 -4.362 1.00 0.00 H new ATOM 157 N LYS A 10 2.804 13.935 -1.133 1.00 0.00 N ATOM 158 CA LYS A 10 2.825 13.407 0.220 1.00 0.00 C ATOM 159 C LYS A 10 3.243 14.462 1.229 1.00 0.00 C ATOM 160 O LYS A 10 4.087 15.314 0.950 1.00 0.00 O ATOM 161 CB LYS A 10 3.763 12.206 0.310 1.00 0.00 C ATOM 162 CG LYS A 10 3.028 10.904 0.561 1.00 0.00 C ATOM 163 CD LYS A 10 2.660 10.754 2.030 1.00 0.00 C ATOM 164 CE LYS A 10 2.874 9.335 2.538 1.00 0.00 C ATOM 165 NZ LYS A 10 2.772 8.318 1.454 1.00 0.00 N ATOM 0 H LYS A 10 3.710 13.936 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 10 1.810 13.092 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.331 12.124 -0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.483 12.372 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.125 10.870 -0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.652 10.066 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.259 11.444 2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.616 11.034 2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.856 9.265 3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.136 9.114 3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.389 7.433 1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.140 8.670 0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.716 8.140 1.055 1.00 0.00 H new ATOM 179 N LYS A 11 2.650 14.382 2.409 1.00 0.00 N ATOM 180 CA LYS A 11 2.956 15.315 3.484 1.00 0.00 C ATOM 181 C LYS A 11 3.136 14.566 4.800 1.00 0.00 C ATOM 182 O LYS A 11 2.313 14.673 5.710 1.00 0.00 O ATOM 183 CB LYS A 11 1.845 16.359 3.621 1.00 0.00 C ATOM 184 CG LYS A 11 1.346 16.894 2.289 1.00 0.00 C ATOM 185 CD LYS A 11 2.341 17.861 1.667 1.00 0.00 C ATOM 186 CE LYS A 11 1.867 18.344 0.305 1.00 0.00 C ATOM 187 NZ LYS A 11 2.269 19.755 0.047 1.00 0.00 N ATOM 0 H LYS A 11 1.951 13.678 2.648 1.00 0.00 H new ATOM 0 HA LYS A 11 3.887 15.827 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.008 15.918 4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.211 17.191 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.169 16.063 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.390 17.397 2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.483 18.715 2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.310 17.373 1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.279 17.701 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.782 18.259 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.632 19.841 -0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.445 20.378 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.012 20.033 0.720 1.00 0.00 H new ATOM 201 N ALA A 12 4.221 13.803 4.890 1.00 0.00 N ATOM 202 CA ALA A 12 4.520 13.027 6.085 1.00 0.00 C ATOM 203 C ALA A 12 3.358 12.104 6.449 1.00 0.00 C ATOM 204 O ALA A 12 3.176 11.750 7.613 1.00 0.00 O ATOM 205 CB ALA A 12 4.846 13.953 7.247 1.00 0.00 C ATOM 0 H ALA A 12 4.910 13.707 4.144 1.00 0.00 H new ATOM 0 HA ALA A 12 5.390 12.405 5.875 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.068 13.360 8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.712 14.564 6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.992 14.600 7.447 1.00 0.00 H new ATOM 211 N GLY A 13 2.572 11.723 5.446 1.00 0.00 N ATOM 212 CA GLY A 13 1.435 10.850 5.682 1.00 0.00 C ATOM 213 C GLY A 13 0.213 11.612 6.154 1.00 0.00 C ATOM 214 O GLY A 13 0.206 12.165 7.253 1.00 0.00 O ATOM 0 H GLY A 13 2.702 12.003 4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.194 10.314 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.703 10.101 6.427 1.00 0.00 H new ATOM 218 N LYS A 14 -0.823 11.646 5.321 1.00 0.00 N ATOM 219 CA LYS A 14 -2.052 12.353 5.665 1.00 0.00 C ATOM 220 C LYS A 14 -3.247 11.810 4.873 1.00 0.00 C ATOM 221 O LYS A 14 -3.883 10.835 5.273 1.00 0.00 O ATOM 222 CB LYS A 14 -1.887 13.854 5.407 1.00 0.00 C ATOM 223 CG LYS A 14 -1.048 14.183 4.180 1.00 0.00 C ATOM 224 CD LYS A 14 -1.419 15.539 3.601 1.00 0.00 C ATOM 225 CE LYS A 14 -1.274 16.650 4.630 1.00 0.00 C ATOM 226 NZ LYS A 14 -2.551 16.908 5.351 1.00 0.00 N ATOM 0 H LYS A 14 -0.836 11.194 4.407 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.248 12.191 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.873 14.303 5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.428 14.314 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.009 14.177 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.190 13.412 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.784 15.754 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.447 15.511 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.499 16.381 5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.946 17.564 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.610 17.915 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.353 16.658 4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.584 16.332 6.216 1.00 0.00 H new ATOM 240 N GLU A 15 -3.539 12.460 3.751 1.00 0.00 N ATOM 241 CA GLU A 15 -4.635 12.088 2.878 1.00 0.00 C ATOM 242 C GLU A 15 -4.389 10.747 2.182 1.00 0.00 C ATOM 243 O GLU A 15 -5.251 10.258 1.455 1.00 0.00 O ATOM 244 CB GLU A 15 -4.876 13.196 1.859 1.00 0.00 C ATOM 245 CG GLU A 15 -5.936 14.195 2.298 1.00 0.00 C ATOM 246 CD GLU A 15 -5.880 15.490 1.513 1.00 0.00 C ATOM 247 OE1 GLU A 15 -5.497 15.451 0.325 1.00 0.00 O ATOM 248 OE2 GLU A 15 -6.218 16.547 2.087 1.00 0.00 O ATOM 0 H GLU A 15 -3.012 13.269 3.423 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.528 11.962 3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.940 13.725 1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.177 12.750 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.923 13.747 2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.808 14.412 3.358 1.00 0.00 H new ATOM 255 N LEU A 16 -3.205 10.161 2.385 1.00 0.00 N ATOM 256 CA LEU A 16 -2.867 8.886 1.750 1.00 0.00 C ATOM 257 C LEU A 16 -4.036 7.908 1.855 1.00 0.00 C ATOM 258 O LEU A 16 -4.236 7.076 0.972 1.00 0.00 O ATOM 259 CB LEU A 16 -1.628 8.281 2.426 1.00 0.00 C ATOM 260 CG LEU A 16 -0.311 8.406 1.651 1.00 0.00 C ATOM 261 CD1 LEU A 16 -0.075 7.171 0.797 1.00 0.00 C ATOM 262 CD2 LEU A 16 -0.303 9.662 0.792 1.00 0.00 C ATOM 0 H LEU A 16 -2.471 10.546 2.979 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.656 9.068 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.501 8.756 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.819 7.224 2.610 1.00 0.00 H new ATOM 0 HG LEU A 16 0.501 8.486 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.864 7.278 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.026 6.290 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.894 7.058 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.642 9.728 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.126 9.620 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.419 10.539 1.429 1.00 0.00 H new ATOM 274 N GLY A 17 -4.817 8.050 2.927 1.00 0.00 N ATOM 275 CA GLY A 17 -5.991 7.215 3.149 1.00 0.00 C ATOM 276 C GLY A 17 -6.001 5.914 2.362 1.00 0.00 C ATOM 277 O GLY A 17 -6.973 5.611 1.669 1.00 0.00 O ATOM 0 H GLY A 17 -4.653 8.742 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.059 6.982 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.882 7.787 2.891 1.00 0.00 H new ATOM 281 N LEU A 18 -4.931 5.137 2.483 1.00 0.00 N ATOM 282 CA LEU A 18 -4.836 3.857 1.792 1.00 0.00 C ATOM 283 C LEU A 18 -4.297 2.792 2.737 1.00 0.00 C ATOM 284 O LEU A 18 -3.101 2.748 3.025 1.00 0.00 O ATOM 285 CB LEU A 18 -3.949 3.966 0.550 1.00 0.00 C ATOM 286 CG LEU A 18 -2.576 4.598 0.779 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.515 3.523 0.967 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.214 5.510 -0.385 1.00 0.00 C ATOM 0 H LEU A 18 -4.118 5.371 3.053 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.836 3.570 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.806 2.967 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.478 4.550 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.618 5.197 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.545 3.993 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.769 2.909 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.470 2.896 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.234 5.953 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.189 4.930 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.959 6.301 -0.473 1.00 0.00 H new ATOM 300 N SER A 19 -5.191 1.943 3.228 1.00 0.00 N ATOM 301 CA SER A 19 -4.806 0.885 4.153 1.00 0.00 C ATOM 302 C SER A 19 -3.963 -0.177 3.454 1.00 0.00 C ATOM 303 O SER A 19 -4.397 -0.783 2.473 1.00 0.00 O ATOM 304 CB SER A 19 -6.052 0.254 4.778 1.00 0.00 C ATOM 305 OG SER A 19 -5.843 -1.115 5.085 1.00 0.00 O ATOM 0 H SER A 19 -6.185 1.966 3.002 1.00 0.00 H new ATOM 0 HA SER A 19 -4.199 1.327 4.943 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.319 0.795 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.893 0.350 4.091 1.00 0.00 H new ATOM 0 HG SER A 19 -5.804 -1.230 6.057 1.00 0.00 H new ATOM 311 N LEU A 20 -2.757 -0.394 3.966 1.00 0.00 N ATOM 312 CA LEU A 20 -1.846 -1.379 3.391 1.00 0.00 C ATOM 313 C LEU A 20 -1.774 -2.636 4.255 1.00 0.00 C ATOM 314 O LEU A 20 -2.107 -2.609 5.440 1.00 0.00 O ATOM 315 CB LEU A 20 -0.446 -0.780 3.236 1.00 0.00 C ATOM 316 CG LEU A 20 -0.406 0.611 2.603 1.00 0.00 C ATOM 317 CD1 LEU A 20 0.911 1.303 2.920 1.00 0.00 C ATOM 318 CD2 LEU A 20 -0.610 0.513 1.100 1.00 0.00 C ATOM 0 H LEU A 20 -2.386 0.099 4.779 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.232 -1.657 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.022 -0.729 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.157 -1.456 2.630 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.216 1.207 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.922 2.292 2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.019 1.403 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.737 0.711 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.579 1.511 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.180 -0.099 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.578 0.056 0.893 1.00 0.00 H new ATOM 330 N SER A 21 -1.330 -3.733 3.651 1.00 0.00 N ATOM 331 CA SER A 21 -1.203 -5.004 4.357 1.00 0.00 C ATOM 332 C SER A 21 0.118 -5.685 3.999 1.00 0.00 C ATOM 333 O SER A 21 0.798 -5.277 3.058 1.00 0.00 O ATOM 334 CB SER A 21 -2.381 -5.923 4.022 1.00 0.00 C ATOM 335 OG SER A 21 -3.069 -6.318 5.196 1.00 0.00 O ATOM 0 H SER A 21 -1.051 -3.768 2.671 1.00 0.00 H new ATOM 0 HA SER A 21 -1.212 -4.804 5.428 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.068 -5.409 3.350 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.019 -6.805 3.494 1.00 0.00 H new ATOM 0 HG SER A 21 -3.818 -6.903 4.955 1.00 0.00 H new ATOM 341 N PRO A 22 0.503 -6.732 4.748 1.00 0.00 N ATOM 342 CA PRO A 22 1.753 -7.460 4.504 1.00 0.00 C ATOM 343 C PRO A 22 1.681 -8.350 3.266 1.00 0.00 C ATOM 344 O PRO A 22 0.700 -9.065 3.057 1.00 0.00 O ATOM 345 CB PRO A 22 1.914 -8.311 5.764 1.00 0.00 C ATOM 346 CG PRO A 22 0.524 -8.529 6.251 1.00 0.00 C ATOM 347 CD PRO A 22 -0.243 -7.283 5.897 1.00 0.00 C ATOM 0 HA PRO A 22 2.587 -6.784 4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.409 -9.256 5.543 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.521 -7.801 6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.080 -9.407 5.781 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.511 -8.702 7.327 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.276 -7.509 5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.273 -6.580 6.730 1.00 0.00 H new ATOM 355 N ASN A 23 2.730 -8.304 2.449 1.00 0.00 N ATOM 356 CA ASN A 23 2.793 -9.108 1.234 1.00 0.00 C ATOM 357 C ASN A 23 4.228 -9.521 0.923 1.00 0.00 C ATOM 358 O ASN A 23 5.181 -8.940 1.442 1.00 0.00 O ATOM 359 CB ASN A 23 2.200 -8.339 0.053 1.00 0.00 C ATOM 360 CG ASN A 23 1.046 -9.080 -0.589 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.941 -9.155 -1.814 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.168 -9.633 0.240 1.00 0.00 N ATOM 0 H ASN A 23 3.549 -7.717 2.608 1.00 0.00 H new ATOM 0 HA ASN A 23 2.205 -10.011 1.399 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.858 -7.361 0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.977 -8.164 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.632 -10.145 -0.132 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.294 -9.546 1.248 1.00 0.00 H new ATOM 369 N GLU A 24 4.372 -10.530 0.069 1.00 0.00 N ATOM 370 CA GLU A 24 5.686 -11.031 -0.318 1.00 0.00 C ATOM 371 C GLU A 24 6.319 -10.147 -1.387 1.00 0.00 C ATOM 372 O GLU A 24 7.538 -9.992 -1.438 1.00 0.00 O ATOM 373 CB GLU A 24 5.568 -12.463 -0.840 1.00 0.00 C ATOM 374 CG GLU A 24 4.599 -12.608 -2.003 1.00 0.00 C ATOM 375 CD GLU A 24 3.627 -13.757 -1.815 1.00 0.00 C ATOM 376 OE1 GLU A 24 4.089 -14.900 -1.621 1.00 0.00 O ATOM 377 OE2 GLU A 24 2.404 -13.511 -1.860 1.00 0.00 O ATOM 0 H GLU A 24 3.591 -11.018 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 24 6.325 -11.016 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.553 -12.809 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.246 -13.112 -0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.040 -11.680 -2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.163 -12.761 -2.923 1.00 0.00 H new ATOM 384 N ILE A 25 5.482 -9.576 -2.246 1.00 0.00 N ATOM 385 CA ILE A 25 5.956 -8.714 -3.323 1.00 0.00 C ATOM 386 C ILE A 25 5.822 -7.235 -2.967 1.00 0.00 C ATOM 387 O ILE A 25 6.307 -6.369 -3.696 1.00 0.00 O ATOM 388 CB ILE A 25 5.195 -8.990 -4.632 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.696 -8.713 -4.447 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.438 -10.424 -5.081 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.811 -9.395 -5.468 1.00 0.00 C ATOM 0 H ILE A 25 4.469 -9.695 -2.217 1.00 0.00 H new ATOM 0 HA ILE A 25 7.012 -8.945 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 25 5.565 -8.321 -5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.398 -9.037 -3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.527 -7.637 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.896 -10.612 -6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.504 -10.578 -5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.088 -11.111 -4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.768 -9.149 -5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.079 -9.053 -6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.948 -10.475 -5.405 1.00 0.00 H new ATOM 403 N GLY A 26 5.166 -6.946 -1.848 1.00 0.00 N ATOM 404 CA GLY A 26 4.991 -5.570 -1.429 1.00 0.00 C ATOM 405 C GLY A 26 3.999 -5.434 -0.294 1.00 0.00 C ATOM 406 O GLY A 26 4.168 -6.043 0.763 1.00 0.00 O ATOM 0 H GLY A 26 4.753 -7.640 -1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.953 -5.163 -1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.652 -4.975 -2.277 1.00 0.00 H new ATOM 410 N CYS A 27 2.960 -4.636 -0.510 1.00 0.00 N ATOM 411 CA CYS A 27 1.939 -4.428 0.509 1.00 0.00 C ATOM 412 C CYS A 27 0.546 -4.372 -0.108 1.00 0.00 C ATOM 413 O CYS A 27 0.179 -3.385 -0.744 1.00 0.00 O ATOM 414 CB CYS A 27 2.218 -3.137 1.281 1.00 0.00 C ATOM 415 SG CYS A 27 3.492 -3.300 2.553 1.00 0.00 S ATOM 0 H CYS A 27 2.803 -4.124 -1.378 1.00 0.00 H new ATOM 0 HA CYS A 27 1.974 -5.274 1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.520 -2.363 0.576 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.293 -2.799 1.749 1.00 0.00 H new ATOM 0 HG CYS A 27 4.665 -3.146 2.014 1.00 0.00 H new ATOM 421 N THR A 28 -0.226 -5.434 0.089 1.00 0.00 N ATOM 422 CA THR A 28 -1.581 -5.500 -0.443 1.00 0.00 C ATOM 423 C THR A 28 -2.472 -4.476 0.246 1.00 0.00 C ATOM 424 O THR A 28 -2.547 -4.431 1.474 1.00 0.00 O ATOM 425 CB THR A 28 -2.162 -6.904 -0.256 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.371 -7.868 -0.926 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.582 -7.038 -0.765 1.00 0.00 C ATOM 0 H THR A 28 0.063 -6.260 0.613 1.00 0.00 H new ATOM 0 HA THR A 28 -1.541 -5.274 -1.509 1.00 0.00 H new ATOM 0 HB THR A 28 -2.163 -7.075 0.821 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.899 -8.681 -1.071 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.932 -8.057 -0.602 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.228 -6.342 -0.229 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.609 -6.811 -1.831 1.00 0.00 H new ATOM 435 N ILE A 29 -3.149 -3.654 -0.545 1.00 0.00 N ATOM 436 CA ILE A 29 -4.035 -2.638 0.004 1.00 0.00 C ATOM 437 C ILE A 29 -5.257 -3.281 0.649 1.00 0.00 C ATOM 438 O ILE A 29 -6.166 -3.740 -0.042 1.00 0.00 O ATOM 439 CB ILE A 29 -4.496 -1.647 -1.082 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.290 -1.086 -1.837 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.308 -0.519 -0.460 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.649 -0.446 -3.160 1.00 0.00 C ATOM 0 H ILE A 29 -3.102 -3.671 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.471 -2.091 0.759 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.131 -2.178 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.790 -0.348 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.576 -1.890 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.626 0.173 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.185 -0.933 0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.695 0.012 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.745 -0.070 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.122 -1.186 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.339 0.380 -2.989 1.00 0.00 H new ATOM 454 N ALA A 30 -5.271 -3.308 1.977 1.00 0.00 N ATOM 455 CA ALA A 30 -6.383 -3.892 2.714 1.00 0.00 C ATOM 456 C ALA A 30 -7.624 -3.017 2.610 1.00 0.00 C ATOM 457 O ALA A 30 -8.748 -3.491 2.772 1.00 0.00 O ATOM 458 CB ALA A 30 -5.999 -4.098 4.173 1.00 0.00 C ATOM 0 H ALA A 30 -4.526 -2.933 2.564 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.614 -4.861 2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.839 -4.535 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.142 -4.768 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.741 -3.138 4.620 1.00 0.00 H new ATOM 464 N ASP A 31 -7.411 -1.733 2.336 1.00 0.00 N ATOM 465 CA ASP A 31 -8.507 -0.783 2.205 1.00 0.00 C ATOM 466 C ASP A 31 -8.003 0.556 1.693 1.00 0.00 C ATOM 467 O ASP A 31 -6.799 0.787 1.599 1.00 0.00 O ATOM 468 CB ASP A 31 -9.198 -0.569 3.555 1.00 0.00 C ATOM 469 CG ASP A 31 -10.509 -1.324 3.668 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.806 -2.140 2.772 1.00 0.00 O ATOM 471 OD2 ASP A 31 -11.241 -1.091 4.653 1.00 0.00 O ATOM 0 H ASP A 31 -6.485 -1.327 2.200 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.219 -1.198 1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.530 -0.888 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.383 0.495 3.699 1.00 0.00 H new ATOM 476 N LEU A 32 -8.939 1.440 1.391 1.00 0.00 N ATOM 477 CA LEU A 32 -8.607 2.770 0.919 1.00 0.00 C ATOM 478 C LEU A 32 -9.819 3.683 1.041 1.00 0.00 C ATOM 479 O LEU A 32 -10.926 3.321 0.645 1.00 0.00 O ATOM 480 CB LEU A 32 -8.074 2.734 -0.519 1.00 0.00 C ATOM 481 CG LEU A 32 -9.098 2.425 -1.611 1.00 0.00 C ATOM 482 CD1 LEU A 32 -9.957 1.232 -1.226 1.00 0.00 C ATOM 483 CD2 LEU A 32 -9.955 3.650 -1.903 1.00 0.00 C ATOM 0 H LEU A 32 -9.940 1.257 1.466 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.810 3.171 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.619 3.699 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.281 1.988 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.560 2.165 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.678 1.032 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.322 0.357 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.488 1.450 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.678 3.411 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.483 3.949 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.318 4.468 -2.238 1.00 0.00 H new ATOM 495 N ILE A 33 -9.609 4.863 1.610 1.00 0.00 N ATOM 496 CA ILE A 33 -10.691 5.811 1.799 1.00 0.00 C ATOM 497 C ILE A 33 -10.730 6.814 0.655 1.00 0.00 C ATOM 498 O ILE A 33 -9.694 7.209 0.123 1.00 0.00 O ATOM 499 CB ILE A 33 -10.560 6.566 3.140 1.00 0.00 C ATOM 500 CG1 ILE A 33 -9.304 7.447 3.150 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.569 5.608 4.306 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.727 7.696 4.530 1.00 0.00 C ATOM 0 H ILE A 33 -8.701 5.183 1.947 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.620 5.241 1.815 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.426 7.220 3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.541 6.978 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.544 8.406 2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.475 6.167 5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.505 5.049 4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.733 4.915 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.842 8.327 4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.471 8.195 5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.452 6.745 4.987 1.00 0.00 H new ATOM 514 N GLN A 34 -11.935 7.209 0.274 1.00 0.00 N ATOM 515 CA GLN A 34 -12.123 8.158 -0.816 1.00 0.00 C ATOM 516 C GLN A 34 -12.232 9.583 -0.285 1.00 0.00 C ATOM 517 O GLN A 34 -12.358 9.799 0.920 1.00 0.00 O ATOM 518 CB GLN A 34 -13.375 7.800 -1.618 1.00 0.00 C ATOM 519 CG GLN A 34 -13.223 6.540 -2.453 1.00 0.00 C ATOM 520 CD GLN A 34 -14.453 6.240 -3.287 1.00 0.00 C ATOM 521 OE1 GLN A 34 -15.509 6.844 -3.096 1.00 0.00 O ATOM 522 NE2 GLN A 34 -14.322 5.304 -4.220 1.00 0.00 N ATOM 0 H GLN A 34 -12.802 6.886 0.705 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.253 8.101 -1.470 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.212 7.672 -0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.626 8.633 -2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.360 6.646 -3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.020 5.695 -1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.428 4.829 -4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.115 5.060 -4.813 1.00 0.00 H new ATOM 531 N GLY A 35 -12.186 10.550 -1.194 1.00 0.00 N ATOM 532 CA GLY A 35 -12.282 11.942 -0.800 1.00 0.00 C ATOM 533 C GLY A 35 -11.086 12.407 0.007 1.00 0.00 C ATOM 534 O GLY A 35 -11.170 13.396 0.737 1.00 0.00 O ATOM 0 H GLY A 35 -12.084 10.394 -2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.376 12.562 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.189 12.087 -0.214 1.00 0.00 H new ATOM 538 N GLN A 36 -9.968 11.697 -0.120 1.00 0.00 N ATOM 539 CA GLN A 36 -8.753 12.054 0.604 1.00 0.00 C ATOM 540 C GLN A 36 -7.671 12.549 -0.357 1.00 0.00 C ATOM 541 O GLN A 36 -6.891 13.435 -0.024 1.00 0.00 O ATOM 542 CB GLN A 36 -8.250 10.863 1.437 1.00 0.00 C ATOM 543 CG GLN A 36 -8.486 9.501 0.801 1.00 0.00 C ATOM 544 CD GLN A 36 -7.780 9.326 -0.526 1.00 0.00 C ATOM 545 OE1 GLN A 36 -6.556 9.405 -0.603 1.00 0.00 O ATOM 546 NE2 GLN A 36 -8.552 9.075 -1.578 1.00 0.00 N ATOM 0 H GLN A 36 -9.879 10.874 -0.716 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.989 12.869 1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.182 10.986 1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.740 10.885 2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.150 8.724 1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.557 9.357 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.564 9.018 -1.466 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.132 8.939 -2.498 1.00 0.00 H new ATOM 555 N TYR A 37 -7.648 11.990 -1.558 1.00 0.00 N ATOM 556 CA TYR A 37 -6.679 12.385 -2.575 1.00 0.00 C ATOM 557 C TYR A 37 -7.218 12.053 -3.961 1.00 0.00 C ATOM 558 O TYR A 37 -7.914 11.053 -4.140 1.00 0.00 O ATOM 559 CB TYR A 37 -5.332 11.684 -2.352 1.00 0.00 C ATOM 560 CG TYR A 37 -4.319 12.478 -1.545 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.189 13.856 -1.692 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.472 11.839 -0.642 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.250 14.566 -0.969 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.537 12.546 0.087 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.428 13.909 -0.082 1.00 0.00 C ATOM 566 OH TYR A 37 -1.494 14.616 0.640 1.00 0.00 O ATOM 0 H TYR A 37 -8.292 11.257 -1.855 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.520 13.461 -2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.513 10.735 -1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.897 11.450 -3.323 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.833 14.379 -2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.548 10.770 -0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.161 15.634 -1.100 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.894 12.033 0.787 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.629 14.577 0.182 1.00 0.00 H new ATOM 576 N PRO A 38 -6.915 12.892 -4.958 1.00 0.00 N ATOM 577 CA PRO A 38 -7.385 12.685 -6.331 1.00 0.00 C ATOM 578 C PRO A 38 -6.806 11.427 -6.970 1.00 0.00 C ATOM 579 O PRO A 38 -7.533 10.627 -7.561 1.00 0.00 O ATOM 580 CB PRO A 38 -6.897 13.933 -7.070 1.00 0.00 C ATOM 581 CG PRO A 38 -5.765 14.448 -6.254 1.00 0.00 C ATOM 582 CD PRO A 38 -6.098 14.112 -4.831 1.00 0.00 C ATOM 0 HA PRO A 38 -8.465 12.545 -6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.575 13.691 -8.083 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.690 14.675 -7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.825 13.986 -6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.647 15.524 -6.384 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.201 13.936 -4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.649 14.917 -4.345 1.00 0.00 H new ATOM 590 N GLU A 39 -5.494 11.255 -6.852 1.00 0.00 N ATOM 591 CA GLU A 39 -4.823 10.096 -7.424 1.00 0.00 C ATOM 592 C GLU A 39 -5.265 8.807 -6.737 1.00 0.00 C ATOM 593 O GLU A 39 -5.670 7.855 -7.395 1.00 0.00 O ATOM 594 CB GLU A 39 -3.306 10.251 -7.314 1.00 0.00 C ATOM 595 CG GLU A 39 -2.710 11.163 -8.375 1.00 0.00 C ATOM 596 CD GLU A 39 -2.349 12.532 -7.829 1.00 0.00 C ATOM 597 OE1 GLU A 39 -2.876 12.904 -6.760 1.00 0.00 O ATOM 598 OE2 GLU A 39 -1.538 13.231 -8.472 1.00 0.00 O ATOM 0 H GLU A 39 -4.875 11.904 -6.365 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.101 10.036 -8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.060 10.645 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.842 9.268 -7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.818 10.695 -8.792 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.422 11.278 -9.192 1.00 0.00 H new ATOM 605 N ILE A 40 -5.182 8.784 -5.413 1.00 0.00 N ATOM 606 CA ILE A 40 -5.571 7.608 -4.638 1.00 0.00 C ATOM 607 C ILE A 40 -6.999 7.175 -4.955 1.00 0.00 C ATOM 608 O ILE A 40 -7.284 5.983 -5.068 1.00 0.00 O ATOM 609 CB ILE A 40 -5.447 7.867 -3.126 1.00 0.00 C ATOM 610 CG1 ILE A 40 -4.122 8.578 -2.816 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.565 6.554 -2.363 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.682 8.458 -1.376 1.00 0.00 C ATOM 0 H ILE A 40 -4.848 9.567 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.887 6.808 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.258 8.520 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.343 8.168 -3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.221 9.634 -3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.476 6.745 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.533 6.098 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.770 5.878 -2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.739 8.986 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.440 8.895 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.549 7.406 -1.123 1.00 0.00 H new ATOM 624 N ASP A 41 -7.890 8.146 -5.095 1.00 0.00 N ATOM 625 CA ASP A 41 -9.288 7.862 -5.398 1.00 0.00 C ATOM 626 C ASP A 41 -9.451 7.367 -6.832 1.00 0.00 C ATOM 627 O ASP A 41 -10.363 6.595 -7.132 1.00 0.00 O ATOM 628 CB ASP A 41 -10.144 9.112 -5.178 1.00 0.00 C ATOM 629 CG ASP A 41 -11.609 8.780 -4.972 1.00 0.00 C ATOM 630 OD1 ASP A 41 -12.034 7.684 -5.397 1.00 0.00 O ATOM 631 OD2 ASP A 41 -12.331 9.613 -4.386 1.00 0.00 O ATOM 0 H ASP A 41 -7.671 9.138 -5.004 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.624 7.074 -4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.772 9.656 -4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.042 9.775 -6.037 1.00 0.00 H new ATOM 636 N SER A 42 -8.571 7.825 -7.715 1.00 0.00 N ATOM 637 CA SER A 42 -8.625 7.439 -9.123 1.00 0.00 C ATOM 638 C SER A 42 -7.543 6.422 -9.481 1.00 0.00 C ATOM 639 O SER A 42 -7.390 6.057 -10.647 1.00 0.00 O ATOM 640 CB SER A 42 -8.471 8.677 -10.008 1.00 0.00 C ATOM 641 OG SER A 42 -9.733 9.176 -10.416 1.00 0.00 O ATOM 0 H SER A 42 -7.811 8.464 -7.482 1.00 0.00 H new ATOM 0 HA SER A 42 -9.594 6.972 -9.296 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.930 9.451 -9.464 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.875 8.428 -10.886 1.00 0.00 H new ATOM 0 HG SER A 42 -9.605 9.968 -10.979 1.00 0.00 H new ATOM 647 N LYS A 43 -6.777 5.981 -8.488 1.00 0.00 N ATOM 648 CA LYS A 43 -5.700 5.029 -8.733 1.00 0.00 C ATOM 649 C LYS A 43 -5.794 3.810 -7.819 1.00 0.00 C ATOM 650 O LYS A 43 -6.131 2.714 -8.263 1.00 0.00 O ATOM 651 CB LYS A 43 -4.347 5.714 -8.536 1.00 0.00 C ATOM 652 CG LYS A 43 -4.082 6.835 -9.529 1.00 0.00 C ATOM 653 CD LYS A 43 -2.722 6.692 -10.199 1.00 0.00 C ATOM 654 CE LYS A 43 -2.859 6.241 -11.644 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.780 6.801 -12.506 1.00 0.00 N ATOM 0 H LYS A 43 -6.881 6.265 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.797 4.682 -9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.297 6.117 -7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.556 4.969 -8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.863 6.838 -10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.134 7.795 -9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.195 7.645 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.117 5.972 -9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.831 5.152 -11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.830 6.551 -12.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.919 6.484 -13.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.811 7.840 -12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.855 6.471 -12.163 1.00 0.00 H new ATOM 669 N LEU A 44 -5.467 4.006 -6.547 1.00 0.00 N ATOM 670 CA LEU A 44 -5.485 2.922 -5.574 1.00 0.00 C ATOM 671 C LEU A 44 -6.873 2.306 -5.435 1.00 0.00 C ATOM 672 O LEU A 44 -7.889 2.982 -5.596 1.00 0.00 O ATOM 673 CB LEU A 44 -4.996 3.432 -4.220 1.00 0.00 C ATOM 674 CG LEU A 44 -3.490 3.733 -4.128 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.763 2.604 -3.413 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.880 3.962 -5.504 1.00 0.00 C ATOM 0 H LEU A 44 -5.185 4.909 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.815 2.141 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.546 4.341 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.247 2.692 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.373 4.651 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.699 2.834 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.164 2.494 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.905 1.674 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.815 4.172 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.016 3.070 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.371 4.809 -5.984 1.00 0.00 H new ATOM 688 N GLN A 45 -6.898 1.011 -5.130 1.00 0.00 N ATOM 689 CA GLN A 45 -8.147 0.279 -4.962 1.00 0.00 C ATOM 690 C GLN A 45 -7.947 -0.915 -4.033 1.00 0.00 C ATOM 691 O GLN A 45 -6.865 -1.105 -3.476 1.00 0.00 O ATOM 692 CB GLN A 45 -8.677 -0.190 -6.318 1.00 0.00 C ATOM 693 CG GLN A 45 -10.161 0.070 -6.516 1.00 0.00 C ATOM 694 CD GLN A 45 -10.537 1.520 -6.276 1.00 0.00 C ATOM 695 OE1 GLN A 45 -10.783 1.931 -5.143 1.00 0.00 O ATOM 696 NE2 GLN A 45 -10.585 2.304 -7.349 1.00 0.00 N ATOM 0 H GLN A 45 -6.060 0.445 -4.994 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.880 0.949 -4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.120 0.312 -7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.487 -1.258 -6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.443 -0.211 -7.531 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.731 -0.566 -5.839 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.373 1.921 -8.270 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.834 3.288 -7.251 1.00 0.00 H new ATOM 705 N ARG A 46 -8.993 -1.718 -3.867 1.00 0.00 N ATOM 706 CA ARG A 46 -8.924 -2.889 -3.001 1.00 0.00 C ATOM 707 C ARG A 46 -8.536 -4.136 -3.793 1.00 0.00 C ATOM 708 O ARG A 46 -9.270 -4.571 -4.681 1.00 0.00 O ATOM 709 CB ARG A 46 -10.268 -3.113 -2.306 1.00 0.00 C ATOM 710 CG ARG A 46 -10.375 -2.428 -0.953 1.00 0.00 C ATOM 711 CD ARG A 46 -11.714 -2.709 -0.291 1.00 0.00 C ATOM 712 NE ARG A 46 -12.822 -2.089 -1.013 1.00 0.00 N ATOM 713 CZ ARG A 46 -14.098 -2.431 -0.847 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.430 -3.387 0.011 1.00 0.00 N ATOM 715 NH2 ARG A 46 -15.045 -1.816 -1.543 1.00 0.00 N ATOM 0 H ARG A 46 -9.896 -1.580 -4.320 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.156 -2.706 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.067 -2.749 -2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.426 -4.184 -2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.568 -2.772 -0.305 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.248 -1.353 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.873 -3.786 -0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.697 -2.338 0.734 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.606 -1.351 -1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.706 -3.864 0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.409 -3.645 0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.796 -1.081 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.023 -2.078 -1.416 1.00 0.00 H new ATOM 729 N GLY A 47 -7.384 -4.710 -3.460 1.00 0.00 N ATOM 730 CA GLY A 47 -6.926 -5.906 -4.147 1.00 0.00 C ATOM 731 C GLY A 47 -5.550 -5.745 -4.769 1.00 0.00 C ATOM 732 O GLY A 47 -4.916 -6.731 -5.146 1.00 0.00 O ATOM 0 H GLY A 47 -6.760 -4.370 -2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.905 -6.737 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.642 -6.167 -4.926 1.00 0.00 H new ATOM 736 N ASP A 48 -5.085 -4.504 -4.883 1.00 0.00 N ATOM 737 CA ASP A 48 -3.778 -4.231 -5.470 1.00 0.00 C ATOM 738 C ASP A 48 -2.671 -4.334 -4.427 1.00 0.00 C ATOM 739 O ASP A 48 -2.921 -4.229 -3.228 1.00 0.00 O ATOM 740 CB ASP A 48 -3.765 -2.842 -6.112 1.00 0.00 C ATOM 741 CG ASP A 48 -4.938 -2.627 -7.047 1.00 0.00 C ATOM 742 OD1 ASP A 48 -5.553 -3.628 -7.470 1.00 0.00 O ATOM 743 OD2 ASP A 48 -5.242 -1.456 -7.359 1.00 0.00 O ATOM 0 H ASP A 48 -5.593 -3.674 -4.577 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.592 -4.982 -6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.783 -2.083 -5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.835 -2.708 -6.664 1.00 0.00 H new ATOM 748 N ILE A 49 -1.446 -4.540 -4.898 1.00 0.00 N ATOM 749 CA ILE A 49 -0.290 -4.662 -4.017 1.00 0.00 C ATOM 750 C ILE A 49 0.842 -3.756 -4.484 1.00 0.00 C ATOM 751 O ILE A 49 1.314 -3.875 -5.613 1.00 0.00 O ATOM 752 CB ILE A 49 0.232 -6.113 -3.960 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.933 -7.109 -3.917 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.145 -6.300 -2.758 1.00 0.00 C ATOM 755 CD1 ILE A 49 -0.999 -8.010 -5.130 1.00 0.00 C ATOM 0 H ILE A 49 -1.227 -4.626 -5.891 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.619 -4.364 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 49 0.808 -6.307 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.843 -7.724 -3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.869 -6.558 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.505 -7.328 -2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.993 -5.620 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.591 -6.086 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.846 -8.689 -5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.121 -7.404 -6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.078 -8.588 -5.205 1.00 0.00 H new ATOM 767 N ILE A 50 1.279 -2.853 -3.614 1.00 0.00 N ATOM 768 CA ILE A 50 2.358 -1.938 -3.959 1.00 0.00 C ATOM 769 C ILE A 50 3.700 -2.658 -3.963 1.00 0.00 C ATOM 770 O ILE A 50 4.294 -2.898 -2.913 1.00 0.00 O ATOM 771 CB ILE A 50 2.424 -0.745 -2.988 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.058 -0.067 -2.893 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.483 0.251 -3.439 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.822 0.630 -1.575 1.00 0.00 C ATOM 0 H ILE A 50 0.906 -2.736 -2.672 1.00 0.00 H new ATOM 0 HA ILE A 50 2.146 -1.561 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 50 2.699 -1.114 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.965 0.659 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.279 -0.814 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.516 1.088 -2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.456 -0.239 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.236 0.619 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.167 1.089 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.883 -0.095 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.579 1.401 -1.430 1.00 0.00 H new ATOM 786 N THR A 51 4.163 -3.001 -5.157 1.00 0.00 N ATOM 787 CA THR A 51 5.434 -3.701 -5.318 1.00 0.00 C ATOM 788 C THR A 51 6.531 -2.741 -5.777 1.00 0.00 C ATOM 789 O THR A 51 7.498 -3.147 -6.420 1.00 0.00 O ATOM 790 CB THR A 51 5.283 -4.848 -6.321 1.00 0.00 C ATOM 791 OG1 THR A 51 5.304 -4.357 -7.650 1.00 0.00 O ATOM 792 CG2 THR A 51 4.003 -5.635 -6.141 1.00 0.00 C ATOM 0 H THR A 51 3.677 -2.806 -6.032 1.00 0.00 H new ATOM 0 HA THR A 51 5.722 -4.112 -4.350 1.00 0.00 H new ATOM 0 HB THR A 51 6.127 -5.511 -6.132 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.452 -4.563 -8.088 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.959 -6.432 -6.883 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.980 -6.068 -5.141 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.147 -4.972 -6.269 1.00 0.00 H new ATOM 800 N LYS A 52 6.369 -1.469 -5.432 1.00 0.00 N ATOM 801 CA LYS A 52 7.337 -0.439 -5.792 1.00 0.00 C ATOM 802 C LYS A 52 6.977 0.875 -5.110 1.00 0.00 C ATOM 803 O LYS A 52 5.812 1.269 -5.078 1.00 0.00 O ATOM 804 CB LYS A 52 7.386 -0.250 -7.310 1.00 0.00 C ATOM 805 CG LYS A 52 8.736 -0.585 -7.920 1.00 0.00 C ATOM 806 CD LYS A 52 9.062 0.331 -9.091 1.00 0.00 C ATOM 807 CE LYS A 52 10.551 0.329 -9.401 1.00 0.00 C ATOM 808 NZ LYS A 52 10.913 1.373 -10.399 1.00 0.00 N ATOM 0 H LYS A 52 5.570 -1.124 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 52 8.323 -0.757 -5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.623 -0.877 -7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.136 0.784 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.512 -0.496 -7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.737 -1.622 -8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.505 0.010 -9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.738 1.346 -8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.113 0.495 -8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.841 -0.651 -9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.931 1.574 -10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.685 1.033 -11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.376 2.242 -10.203 1.00 0.00 H new ATOM 822 N PHE A 53 7.979 1.544 -4.550 1.00 0.00 N ATOM 823 CA PHE A 53 7.752 2.803 -3.855 1.00 0.00 C ATOM 824 C PHE A 53 8.853 3.814 -4.162 1.00 0.00 C ATOM 825 O PHE A 53 10.031 3.566 -3.901 1.00 0.00 O ATOM 826 CB PHE A 53 7.673 2.551 -2.350 1.00 0.00 C ATOM 827 CG PHE A 53 7.390 3.780 -1.543 1.00 0.00 C ATOM 828 CD1 PHE A 53 6.085 4.164 -1.286 1.00 0.00 C ATOM 829 CD2 PHE A 53 8.425 4.548 -1.039 1.00 0.00 C ATOM 830 CE1 PHE A 53 5.817 5.291 -0.539 1.00 0.00 C ATOM 831 CE2 PHE A 53 8.163 5.678 -0.291 1.00 0.00 C ATOM 832 CZ PHE A 53 6.856 6.049 -0.041 1.00 0.00 C ATOM 0 H PHE A 53 8.951 1.236 -4.564 1.00 0.00 H new ATOM 0 HA PHE A 53 6.809 3.222 -4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.895 1.813 -2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.615 2.117 -2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.268 3.574 -1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.448 4.260 -1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.795 5.580 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.978 6.271 0.098 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.648 6.932 0.544 1.00 0.00 H new ATOM 842 N ASN A 54 8.457 4.956 -4.719 1.00 0.00 N ATOM 843 CA ASN A 54 9.404 6.015 -5.063 1.00 0.00 C ATOM 844 C ASN A 54 10.570 5.462 -5.879 1.00 0.00 C ATOM 845 O ASN A 54 11.722 5.850 -5.683 1.00 0.00 O ATOM 846 CB ASN A 54 9.923 6.695 -3.792 1.00 0.00 C ATOM 847 CG ASN A 54 9.612 8.179 -3.761 1.00 0.00 C ATOM 848 OD1 ASN A 54 10.057 8.937 -4.624 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.844 8.602 -2.764 1.00 0.00 N ATOM 0 H ASN A 54 7.486 5.172 -4.942 1.00 0.00 H new ATOM 0 HA ASN A 54 8.882 6.753 -5.672 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.479 6.215 -2.920 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.001 6.551 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.601 9.590 -2.691 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.497 7.939 -2.071 1.00 0.00 H new ATOM 856 N GLY A 55 10.262 4.548 -6.795 1.00 0.00 N ATOM 857 CA GLY A 55 11.292 3.953 -7.625 1.00 0.00 C ATOM 858 C GLY A 55 12.080 2.882 -6.894 1.00 0.00 C ATOM 859 O GLY A 55 13.172 2.506 -7.319 1.00 0.00 O ATOM 0 H GLY A 55 9.317 4.210 -6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.833 3.519 -8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.974 4.732 -7.967 1.00 0.00 H new ATOM 863 N ASP A 56 11.525 2.388 -5.790 1.00 0.00 N ATOM 864 CA ASP A 56 12.179 1.353 -5.000 1.00 0.00 C ATOM 865 C ASP A 56 11.267 0.143 -4.836 1.00 0.00 C ATOM 866 O ASP A 56 10.293 0.183 -4.083 1.00 0.00 O ATOM 867 CB ASP A 56 12.574 1.901 -3.627 1.00 0.00 C ATOM 868 CG ASP A 56 13.638 1.057 -2.951 1.00 0.00 C ATOM 869 OD1 ASP A 56 13.427 -0.166 -2.817 1.00 0.00 O ATOM 870 OD2 ASP A 56 14.679 1.622 -2.556 1.00 0.00 O ATOM 0 H ASP A 56 10.622 2.690 -5.423 1.00 0.00 H new ATOM 0 HA ASP A 56 13.080 1.040 -5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.940 2.922 -3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.691 1.947 -2.989 1.00 0.00 H new ATOM 875 N ALA A 57 11.587 -0.934 -5.545 1.00 0.00 N ATOM 876 CA ALA A 57 10.796 -2.158 -5.484 1.00 0.00 C ATOM 877 C ALA A 57 10.599 -2.623 -4.045 1.00 0.00 C ATOM 878 O ALA A 57 11.565 -2.826 -3.308 1.00 0.00 O ATOM 879 CB ALA A 57 11.456 -3.253 -6.307 1.00 0.00 C ATOM 0 H ALA A 57 12.391 -0.984 -6.170 1.00 0.00 H new ATOM 0 HA ALA A 57 9.813 -1.942 -5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.855 -4.161 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.534 -2.931 -7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.453 -3.453 -5.914 1.00 0.00 H new ATOM 885 N LEU A 58 9.340 -2.797 -3.651 1.00 0.00 N ATOM 886 CA LEU A 58 9.014 -3.247 -2.303 1.00 0.00 C ATOM 887 C LEU A 58 8.823 -4.762 -2.268 1.00 0.00 C ATOM 888 O LEU A 58 8.148 -5.292 -1.385 1.00 0.00 O ATOM 889 CB LEU A 58 7.745 -2.550 -1.800 1.00 0.00 C ATOM 890 CG LEU A 58 7.706 -1.032 -2.012 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.276 -0.516 -1.945 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.576 -0.326 -0.981 1.00 0.00 C ATOM 0 H LEU A 58 8.529 -2.633 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 58 9.846 -2.986 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.884 -2.993 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.635 -2.755 -0.735 1.00 0.00 H new ATOM 0 HG LEU A 58 8.102 -0.816 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.271 0.563 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.680 -0.995 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.852 -0.746 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.536 0.751 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.210 -0.553 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.606 -0.670 -1.077 1.00 0.00 H new ATOM 904 N GLU A 59 9.420 -5.455 -3.237 1.00 0.00 N ATOM 905 CA GLU A 59 9.312 -6.906 -3.319 1.00 0.00 C ATOM 906 C GLU A 59 10.220 -7.583 -2.296 1.00 0.00 C ATOM 907 O GLU A 59 11.320 -7.107 -2.016 1.00 0.00 O ATOM 908 CB GLU A 59 9.662 -7.384 -4.731 1.00 0.00 C ATOM 909 CG GLU A 59 8.484 -7.984 -5.480 1.00 0.00 C ATOM 910 CD GLU A 59 8.408 -7.513 -6.919 1.00 0.00 C ATOM 911 OE1 GLU A 59 9.470 -7.413 -7.568 1.00 0.00 O ATOM 912 OE2 GLU A 59 7.285 -7.243 -7.397 1.00 0.00 O ATOM 0 H GLU A 59 9.983 -5.032 -3.975 1.00 0.00 H new ATOM 0 HA GLU A 59 8.282 -7.181 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.055 -6.544 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.458 -8.126 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.561 -9.071 -5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.559 -7.721 -4.966 1.00 0.00 H new ATOM 919 N GLY A 60 9.750 -8.697 -1.748 1.00 0.00 N ATOM 920 CA GLY A 60 10.526 -9.428 -0.766 1.00 0.00 C ATOM 921 C GLY A 60 10.866 -8.591 0.452 1.00 0.00 C ATOM 922 O GLY A 60 11.842 -8.869 1.151 1.00 0.00 O ATOM 0 H GLY A 60 8.842 -9.108 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.968 -10.310 -0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.448 -9.782 -1.228 1.00 0.00 H new ATOM 926 N LEU A 61 10.062 -7.565 0.710 1.00 0.00 N ATOM 927 CA LEU A 61 10.285 -6.687 1.853 1.00 0.00 C ATOM 928 C LEU A 61 9.122 -6.776 2.841 1.00 0.00 C ATOM 929 O LEU A 61 7.961 -6.827 2.437 1.00 0.00 O ATOM 930 CB LEU A 61 10.459 -5.243 1.383 1.00 0.00 C ATOM 931 CG LEU A 61 11.749 -4.964 0.608 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.786 -3.520 0.136 1.00 0.00 C ATOM 933 CD2 LEU A 61 12.964 -5.279 1.469 1.00 0.00 C ATOM 0 H LEU A 61 9.250 -7.321 0.143 1.00 0.00 H new ATOM 0 HA LEU A 61 11.195 -7.011 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.610 -4.977 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.427 -4.588 2.253 1.00 0.00 H new ATOM 0 HG LEU A 61 11.772 -5.610 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.710 -3.340 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.934 -3.328 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.741 -2.854 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.873 -5.075 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.947 -4.657 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.943 -6.330 1.757 1.00 0.00 H new ATOM 945 N PRO A 62 9.418 -6.794 4.155 1.00 0.00 N ATOM 946 CA PRO A 62 8.384 -6.874 5.193 1.00 0.00 C ATOM 947 C PRO A 62 7.372 -5.738 5.086 1.00 0.00 C ATOM 948 O PRO A 62 7.257 -5.093 4.046 1.00 0.00 O ATOM 949 CB PRO A 62 9.173 -6.762 6.503 1.00 0.00 C ATOM 950 CG PRO A 62 10.561 -7.172 6.152 1.00 0.00 C ATOM 951 CD PRO A 62 10.774 -6.736 4.730 1.00 0.00 C ATOM 0 HA PRO A 62 7.800 -7.791 5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.149 -5.744 6.893 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.753 -7.409 7.273 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.286 -6.703 6.817 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.687 -8.250 6.253 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.192 -5.731 4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.463 -7.397 4.205 1.00 0.00 H new ATOM 959 N PHE A 63 6.643 -5.496 6.172 1.00 0.00 N ATOM 960 CA PHE A 63 5.644 -4.434 6.196 1.00 0.00 C ATOM 961 C PHE A 63 6.125 -3.253 7.032 1.00 0.00 C ATOM 962 O PHE A 63 5.681 -2.122 6.836 1.00 0.00 O ATOM 963 CB PHE A 63 4.317 -4.955 6.751 1.00 0.00 C ATOM 964 CG PHE A 63 3.184 -3.981 6.593 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.406 -3.984 5.446 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.900 -3.060 7.589 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.364 -3.089 5.298 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.858 -2.162 7.444 1.00 0.00 C ATOM 969 CZ PHE A 63 1.090 -2.177 6.298 1.00 0.00 C ATOM 0 H PHE A 63 6.725 -6.019 7.044 1.00 0.00 H new ATOM 0 HA PHE A 63 5.491 -4.097 5.171 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.060 -5.886 6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.440 -5.190 7.808 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.617 -4.694 4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.499 -3.043 8.488 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.764 -3.103 4.400 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.646 -1.450 8.227 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.276 -1.477 6.183 1.00 0.00 H new ATOM 979 N GLN A 64 7.036 -3.519 7.963 1.00 0.00 N ATOM 980 CA GLN A 64 7.576 -2.472 8.822 1.00 0.00 C ATOM 981 C GLN A 64 8.193 -1.358 7.986 1.00 0.00 C ATOM 982 O GLN A 64 7.891 -0.179 8.176 1.00 0.00 O ATOM 983 CB GLN A 64 8.626 -3.050 9.774 1.00 0.00 C ATOM 984 CG GLN A 64 8.127 -4.235 10.584 1.00 0.00 C ATOM 985 CD GLN A 64 7.096 -3.839 11.622 1.00 0.00 C ATOM 986 OE1 GLN A 64 6.440 -2.804 11.498 1.00 0.00 O ATOM 987 NE2 GLN A 64 6.947 -4.661 12.655 1.00 0.00 N ATOM 0 H GLN A 64 7.415 -4.449 8.141 1.00 0.00 H new ATOM 0 HA GLN A 64 6.756 -2.057 9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.498 -3.357 9.196 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.955 -2.267 10.457 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.693 -4.974 9.910 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.972 -4.713 11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.511 -5.508 12.718 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.268 -4.445 13.385 1.00 0.00 H new ATOM 996 N VAL A 65 9.058 -1.743 7.054 1.00 0.00 N ATOM 997 CA VAL A 65 9.718 -0.782 6.180 1.00 0.00 C ATOM 998 C VAL A 65 8.705 -0.050 5.306 1.00 0.00 C ATOM 999 O VAL A 65 8.739 1.176 5.195 1.00 0.00 O ATOM 1000 CB VAL A 65 10.764 -1.465 5.277 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.950 -1.944 6.099 1.00 0.00 C ATOM 1002 CG2 VAL A 65 10.139 -2.621 4.508 1.00 0.00 C ATOM 0 H VAL A 65 9.318 -2.715 6.885 1.00 0.00 H new ATOM 0 HA VAL A 65 10.224 -0.064 6.825 1.00 0.00 H new ATOM 0 HB VAL A 65 11.123 -0.732 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.677 -2.423 5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.415 -1.093 6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.609 -2.660 6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.895 -3.089 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.747 -3.356 5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.327 -2.247 3.885 1.00 0.00 H new ATOM 1012 N CYS A 66 7.800 -0.806 4.691 1.00 0.00 N ATOM 1013 CA CYS A 66 6.776 -0.227 3.829 1.00 0.00 C ATOM 1014 C CYS A 66 5.941 0.797 4.589 1.00 0.00 C ATOM 1015 O CYS A 66 5.806 1.943 4.164 1.00 0.00 O ATOM 1016 CB CYS A 66 5.873 -1.325 3.265 1.00 0.00 C ATOM 1017 SG CYS A 66 6.651 -2.332 1.981 1.00 0.00 S ATOM 0 H CYS A 66 7.756 -1.822 4.774 1.00 0.00 H new ATOM 0 HA CYS A 66 7.275 0.280 3.004 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.557 -1.976 4.081 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.973 -0.866 2.856 1.00 0.00 H new ATOM 0 HG CYS A 66 7.022 -3.470 2.487 1.00 0.00 H new ATOM 1023 N TYR A 67 5.389 0.380 5.722 1.00 0.00 N ATOM 1024 CA TYR A 67 4.576 1.268 6.545 1.00 0.00 C ATOM 1025 C TYR A 67 5.370 2.507 6.949 1.00 0.00 C ATOM 1026 O TYR A 67 4.807 3.585 7.135 1.00 0.00 O ATOM 1027 CB TYR A 67 4.084 0.536 7.794 1.00 0.00 C ATOM 1028 CG TYR A 67 2.912 1.216 8.463 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.685 1.322 7.818 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.031 1.758 9.737 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.613 1.948 8.423 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.963 2.385 10.349 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.756 2.477 9.688 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.310 3.102 10.294 1.00 0.00 O ATOM 0 H TYR A 67 5.489 -0.565 6.092 1.00 0.00 H new ATOM 0 HA TYR A 67 3.715 1.582 5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.799 -0.480 7.522 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.905 0.457 8.507 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.568 0.908 6.827 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.975 1.688 10.258 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.333 2.023 7.907 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.073 2.801 11.340 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.790 2.459 10.857 1.00 0.00 H new ATOM 1044 N ALA A 68 6.683 2.340 7.095 1.00 0.00 N ATOM 1045 CA ALA A 68 7.559 3.438 7.494 1.00 0.00 C ATOM 1046 C ALA A 68 7.770 4.447 6.368 1.00 0.00 C ATOM 1047 O ALA A 68 7.596 5.650 6.567 1.00 0.00 O ATOM 1048 CB ALA A 68 8.898 2.892 7.959 1.00 0.00 C ATOM 0 H ALA A 68 7.163 1.453 6.943 1.00 0.00 H new ATOM 0 HA ALA A 68 7.070 3.963 8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.545 3.718 8.255 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.745 2.229 8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.367 2.337 7.146 1.00 0.00 H new ATOM 1054 N LEU A 69 8.146 3.962 5.188 1.00 0.00 N ATOM 1055 CA LEU A 69 8.377 4.848 4.050 1.00 0.00 C ATOM 1056 C LEU A 69 7.066 5.461 3.583 1.00 0.00 C ATOM 1057 O LEU A 69 7.032 6.600 3.115 1.00 0.00 O ATOM 1058 CB LEU A 69 9.055 4.102 2.898 1.00 0.00 C ATOM 1059 CG LEU A 69 8.481 2.719 2.587 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.808 2.710 1.223 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.574 1.661 2.648 1.00 0.00 C ATOM 0 H LEU A 69 8.296 2.972 4.995 1.00 0.00 H new ATOM 0 HA LEU A 69 9.044 5.647 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.987 4.716 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.114 3.994 3.131 1.00 0.00 H new ATOM 0 HG LEU A 69 7.730 2.484 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.407 1.717 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.997 3.438 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.538 2.969 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.147 0.683 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.348 1.895 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.011 1.646 3.647 1.00 0.00 H new ATOM 1073 N PHE A 70 5.982 4.707 3.727 1.00 0.00 N ATOM 1074 CA PHE A 70 4.666 5.188 3.336 1.00 0.00 C ATOM 1075 C PHE A 70 4.176 6.230 4.332 1.00 0.00 C ATOM 1076 O PHE A 70 3.452 7.157 3.973 1.00 0.00 O ATOM 1077 CB PHE A 70 3.674 4.027 3.249 1.00 0.00 C ATOM 1078 CG PHE A 70 3.549 3.454 1.867 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.856 4.137 0.882 1.00 0.00 C ATOM 1080 CD2 PHE A 70 4.130 2.237 1.551 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.744 3.616 -0.393 1.00 0.00 C ATOM 1082 CE2 PHE A 70 4.023 1.711 0.278 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.328 2.401 -0.695 1.00 0.00 C ATOM 0 H PHE A 70 5.990 3.762 4.111 1.00 0.00 H new ATOM 0 HA PHE A 70 4.741 5.649 2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.987 3.239 3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.694 4.370 3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.398 5.087 1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.673 1.693 2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.200 4.158 -1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.482 0.762 0.044 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.241 1.992 -1.691 1.00 0.00 H new ATOM 1093 N LYS A 71 4.587 6.076 5.588 1.00 0.00 N ATOM 1094 CA LYS A 71 4.203 7.011 6.638 1.00 0.00 C ATOM 1095 C LYS A 71 5.149 8.207 6.663 1.00 0.00 C ATOM 1096 O LYS A 71 4.758 9.314 7.035 1.00 0.00 O ATOM 1097 CB LYS A 71 4.211 6.317 8.001 1.00 0.00 C ATOM 1098 CG LYS A 71 2.913 5.596 8.326 1.00 0.00 C ATOM 1099 CD LYS A 71 2.585 5.683 9.808 1.00 0.00 C ATOM 1100 CE LYS A 71 1.869 6.981 10.146 1.00 0.00 C ATOM 1101 NZ LYS A 71 0.483 6.740 10.632 1.00 0.00 N ATOM 0 H LYS A 71 5.186 5.312 5.902 1.00 0.00 H new ATOM 0 HA LYS A 71 3.194 7.364 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.032 5.600 8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.409 7.058 8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.099 6.030 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.992 4.550 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.960 4.837 10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.504 5.611 10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.433 7.519 10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.838 7.619 9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.029 7.650 10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.063 6.250 9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.513 6.152 11.489 1.00 0.00 H new ATOM 1115 N GLY A 72 6.397 7.974 6.266 1.00 0.00 N ATOM 1116 CA GLY A 72 7.385 9.036 6.251 1.00 0.00 C ATOM 1117 C GLY A 72 7.382 9.825 4.956 1.00 0.00 C ATOM 1118 O GLY A 72 7.833 10.969 4.922 1.00 0.00 O ATOM 0 H GLY A 72 6.741 7.066 5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.196 9.713 7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.375 8.607 6.407 1.00 0.00 H new ATOM 1122 N ALA A 73 6.872 9.215 3.886 1.00 0.00 N ATOM 1123 CA ALA A 73 6.810 9.866 2.578 1.00 0.00 C ATOM 1124 C ALA A 73 6.340 11.316 2.695 1.00 0.00 C ATOM 1125 O ALA A 73 5.344 11.604 3.357 1.00 0.00 O ATOM 1126 CB ALA A 73 5.896 9.087 1.652 1.00 0.00 C ATOM 0 H ALA A 73 6.495 8.267 3.900 1.00 0.00 H new ATOM 0 HA ALA A 73 7.817 9.878 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.856 9.580 0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.280 8.074 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.894 9.046 2.079 1.00 0.00 H new ATOM 1132 N ASN A 74 7.067 12.224 2.048 1.00 0.00 N ATOM 1133 CA ASN A 74 6.725 13.640 2.082 1.00 0.00 C ATOM 1134 C ASN A 74 7.309 14.371 0.877 1.00 0.00 C ATOM 1135 O ASN A 74 8.499 14.686 0.846 1.00 0.00 O ATOM 1136 CB ASN A 74 7.232 14.284 3.374 1.00 0.00 C ATOM 1137 CG ASN A 74 8.729 14.126 3.550 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.494 15.065 3.333 1.00 0.00 O ATOM 1139 ND2 ASN A 74 9.152 12.932 3.945 1.00 0.00 N ATOM 0 H ASN A 74 7.895 12.003 1.495 1.00 0.00 H new ATOM 0 HA ASN A 74 5.639 13.722 2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.979 15.344 3.372 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.720 13.836 4.225 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.149 12.763 4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.480 12.183 4.113 1.00 0.00 H new ATOM 1146 N GLY A 75 6.464 14.640 -0.112 1.00 0.00 N ATOM 1147 CA GLY A 75 6.915 15.335 -1.305 1.00 0.00 C ATOM 1148 C GLY A 75 6.897 14.451 -2.537 1.00 0.00 C ATOM 1149 O GLY A 75 7.912 13.853 -2.891 1.00 0.00 O ATOM 0 H GLY A 75 5.475 14.390 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.280 16.204 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.927 15.707 -1.144 1.00 0.00 H new ATOM 1153 N LYS A 76 5.740 14.370 -3.187 1.00 0.00 N ATOM 1154 CA LYS A 76 5.589 13.553 -4.384 1.00 0.00 C ATOM 1155 C LYS A 76 5.943 12.096 -4.095 1.00 0.00 C ATOM 1156 O LYS A 76 7.103 11.764 -3.847 1.00 0.00 O ATOM 1157 CB LYS A 76 6.467 14.101 -5.508 1.00 0.00 C ATOM 1158 CG LYS A 76 5.798 14.069 -6.872 1.00 0.00 C ATOM 1159 CD LYS A 76 5.236 15.432 -7.250 1.00 0.00 C ATOM 1160 CE LYS A 76 3.723 15.471 -7.100 1.00 0.00 C ATOM 1161 NZ LYS A 76 3.167 16.811 -7.435 1.00 0.00 N ATOM 0 H LYS A 76 4.892 14.862 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 76 4.546 13.593 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.745 15.128 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.390 13.523 -5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.519 13.750 -7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.995 13.332 -6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.685 16.200 -6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.507 15.666 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.274 14.719 -7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.453 15.211 -6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.133 16.797 -7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.576 17.525 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.403 17.048 -8.420 1.00 0.00 H new ATOM 1175 N VAL A 77 4.933 11.234 -4.116 1.00 0.00 N ATOM 1176 CA VAL A 77 5.130 9.815 -3.842 1.00 0.00 C ATOM 1177 C VAL A 77 4.608 8.944 -4.979 1.00 0.00 C ATOM 1178 O VAL A 77 3.400 8.802 -5.153 1.00 0.00 O ATOM 1179 CB VAL A 77 4.421 9.390 -2.545 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.375 9.470 -1.370 1.00 0.00 C ATOM 1181 CG2 VAL A 77 3.191 10.237 -2.292 1.00 0.00 C ATOM 0 H VAL A 77 3.968 11.493 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 77 6.206 9.672 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 77 4.097 8.356 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.858 9.166 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.223 8.807 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.731 10.494 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.710 9.914 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.482 11.284 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.494 10.124 -3.123 1.00 0.00 H new ATOM 1191 N SER A 78 5.525 8.350 -5.735 1.00 0.00 N ATOM 1192 CA SER A 78 5.150 7.480 -6.844 1.00 0.00 C ATOM 1193 C SER A 78 5.234 6.014 -6.425 1.00 0.00 C ATOM 1194 O SER A 78 6.320 5.488 -6.189 1.00 0.00 O ATOM 1195 CB SER A 78 6.058 7.734 -8.048 1.00 0.00 C ATOM 1196 OG SER A 78 5.978 6.671 -8.983 1.00 0.00 O ATOM 0 H SER A 78 6.531 8.455 -5.601 1.00 0.00 H new ATOM 0 HA SER A 78 4.121 7.704 -7.125 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.773 8.669 -8.531 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.088 7.850 -7.712 1.00 0.00 H new ATOM 0 HG SER A 78 5.095 6.250 -8.924 1.00 0.00 H new ATOM 1202 N MET A 79 4.079 5.364 -6.328 1.00 0.00 N ATOM 1203 CA MET A 79 4.021 3.964 -5.927 1.00 0.00 C ATOM 1204 C MET A 79 3.424 3.098 -7.031 1.00 0.00 C ATOM 1205 O MET A 79 2.307 3.341 -7.487 1.00 0.00 O ATOM 1206 CB MET A 79 3.195 3.805 -4.644 1.00 0.00 C ATOM 1207 CG MET A 79 3.168 5.047 -3.765 1.00 0.00 C ATOM 1208 SD MET A 79 1.664 6.019 -3.983 1.00 0.00 S ATOM 1209 CE MET A 79 0.998 6.004 -2.320 1.00 0.00 C ATOM 0 H MET A 79 3.170 5.785 -6.522 1.00 0.00 H new ATOM 0 HA MET A 79 5.042 3.632 -5.740 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.172 3.541 -4.913 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.597 2.973 -4.066 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.256 4.750 -2.720 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.034 5.668 -3.994 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.191 6.733 -2.245 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.612 5.010 -2.092 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.785 6.260 -1.611 1.00 0.00 H new ATOM 1219 N GLU A 80 4.169 2.078 -7.448 1.00 0.00 N ATOM 1220 CA GLU A 80 3.696 1.171 -8.488 1.00 0.00 C ATOM 1221 C GLU A 80 2.902 0.029 -7.871 1.00 0.00 C ATOM 1222 O GLU A 80 3.464 -0.863 -7.236 1.00 0.00 O ATOM 1223 CB GLU A 80 4.866 0.617 -9.308 1.00 0.00 C ATOM 1224 CG GLU A 80 4.896 1.120 -10.741 1.00 0.00 C ATOM 1225 CD GLU A 80 6.283 1.544 -11.184 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.036 2.079 -10.343 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.615 1.339 -12.370 1.00 0.00 O ATOM 0 H GLU A 80 5.097 1.860 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 80 3.046 1.734 -9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.802 0.886 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.811 -0.472 -9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.531 0.336 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.214 1.964 -10.840 1.00 0.00 H new ATOM 1234 N VAL A 81 1.589 0.067 -8.056 1.00 0.00 N ATOM 1235 CA VAL A 81 0.711 -0.961 -7.510 1.00 0.00 C ATOM 1236 C VAL A 81 0.417 -2.044 -8.534 1.00 0.00 C ATOM 1237 O VAL A 81 0.264 -1.770 -9.726 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.624 -0.377 -7.014 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.480 0.162 -5.602 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -1.122 0.704 -7.954 1.00 0.00 C ATOM 0 H VAL A 81 1.108 0.798 -8.580 1.00 0.00 H new ATOM 0 HA VAL A 81 1.245 -1.394 -6.664 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.362 -1.179 -7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.434 0.570 -5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.178 -0.644 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.276 0.947 -5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.067 1.102 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.386 1.507 -8.008 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.271 0.282 -8.948 1.00 0.00 H new ATOM 1250 N THR A 82 0.336 -3.277 -8.057 1.00 0.00 N ATOM 1251 CA THR A 82 0.057 -4.418 -8.912 1.00 0.00 C ATOM 1252 C THR A 82 -1.352 -4.935 -8.651 1.00 0.00 C ATOM 1253 O THR A 82 -1.729 -5.177 -7.506 1.00 0.00 O ATOM 1254 CB THR A 82 1.080 -5.527 -8.656 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.397 -5.072 -8.920 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.846 -6.768 -9.489 1.00 0.00 C ATOM 0 H THR A 82 0.461 -3.513 -7.073 1.00 0.00 H new ATOM 0 HA THR A 82 0.129 -4.105 -9.954 1.00 0.00 H new ATOM 0 HB THR A 82 0.957 -5.789 -7.605 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.359 -4.198 -9.363 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.608 -7.512 -9.256 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.140 -7.176 -9.265 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.901 -6.512 -10.547 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.132 -5.089 -9.714 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.504 -5.566 -9.586 1.00 0.00 C ATOM 1266 C ARG A 83 -3.656 -6.971 -10.162 1.00 0.00 C ATOM 1267 O ARG A 83 -3.890 -7.138 -11.359 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.467 -4.607 -10.288 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.926 -5.022 -10.178 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.683 -4.744 -11.467 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.081 -4.403 -11.218 1.00 0.00 N ATOM 1272 CZ ARG A 83 -9.017 -4.373 -12.163 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -8.709 -4.664 -13.422 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -10.265 -4.051 -11.850 1.00 0.00 N ATOM 0 H ARG A 83 -1.840 -4.891 -10.671 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.747 -5.604 -8.524 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.348 -3.610 -9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.196 -4.539 -11.341 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.986 -6.084 -9.941 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.397 -4.485 -9.355 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.200 -3.926 -12.002 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.633 -5.621 -12.113 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.356 -4.174 -10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.751 -4.912 -13.668 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.431 -4.639 -14.142 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.507 -3.826 -10.885 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.983 -4.028 -12.574 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.526 -8.005 -9.314 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.653 -9.400 -9.745 1.00 0.00 C ATOM 1290 C PRO A 84 -5.024 -9.696 -10.344 1.00 0.00 C ATOM 1291 O PRO A 84 -5.843 -8.795 -10.520 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.454 -10.204 -8.454 1.00 0.00 C ATOM 1293 CG PRO A 84 -2.769 -9.274 -7.515 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.247 -7.898 -7.872 1.00 0.00 C ATOM 0 HA PRO A 84 -2.935 -9.646 -10.527 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.408 -10.540 -8.049 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.853 -11.095 -8.634 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.013 -9.515 -6.480 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -1.686 -9.348 -7.613 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.138 -7.622 -7.308 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.491 -7.142 -7.663 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.882 1.463 9.725 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.835 0.622 9.161 1.00 0.00 C ATOM 1574 C GLN A 103 -6.448 1.187 9.433 1.00 0.00 C ATOM 1575 O GLN A 103 -6.307 2.278 9.983 1.00 0.00 O ATOM 1576 CB GLN A 103 -8.047 0.500 7.652 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.292 -0.278 7.276 1.00 0.00 C ATOM 1578 CD GLN A 103 -9.028 -1.761 7.111 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -8.351 -2.183 6.174 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -9.565 -2.562 8.025 1.00 0.00 N ATOM 0 HA GLN A 103 -7.896 -0.357 9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -8.108 1.499 7.220 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.177 0.014 7.209 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -10.052 -0.132 8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.697 0.120 6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.120 -2.169 8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.423 -3.570 7.966 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.422 0.448 9.014 1.00 0.00 N ATOM 1590 CA TYR A 104 -4.050 0.899 9.181 1.00 0.00 C ATOM 1591 C TYR A 104 -3.728 1.880 8.068 1.00 0.00 C ATOM 1592 O TYR A 104 -3.393 1.482 6.953 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.081 -0.287 9.140 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.858 -0.117 10.018 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.955 0.469 11.274 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.607 -0.550 9.592 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.843 0.619 12.081 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.510 -0.401 10.393 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.386 0.183 11.635 1.00 0.00 C ATOM 1600 OH TYR A 104 1.497 0.331 12.438 1.00 0.00 O ATOM 0 H TYR A 104 -5.518 -0.460 8.559 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.940 1.385 10.151 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.613 -1.188 9.447 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.757 -0.443 8.111 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.916 0.813 11.626 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.506 -1.010 8.620 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.937 1.075 13.055 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.475 -0.741 10.047 1.00 0.00 H new ATOM 0 HH TYR A 104 2.061 1.052 12.087 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.866 3.162 8.366 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.626 4.200 7.379 1.00 0.00 C ATOM 1612 C TRP A 105 -2.254 4.842 7.558 1.00 0.00 C ATOM 1613 O TRP A 105 -1.825 5.118 8.678 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.723 5.262 7.480 1.00 0.00 C ATOM 1615 CG TRP A 105 -6.112 4.695 7.446 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.917 4.402 8.514 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.861 4.340 6.284 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -8.122 3.916 8.078 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -8.110 3.862 6.714 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.605 4.384 4.919 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -9.086 3.434 5.821 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.586 3.949 4.052 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.806 3.485 4.510 1.00 0.00 C ATOM 0 H TRP A 105 -4.143 3.508 9.285 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.646 3.741 6.390 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.591 5.822 8.406 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.608 5.970 6.659 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.642 4.535 9.550 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.901 3.640 8.676 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.660 4.750 4.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -10.041 3.071 6.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.397 3.971 2.989 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.548 3.157 3.797 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.571 5.080 6.440 1.00 0.00 N ATOM 1635 CA VAL A 106 -0.250 5.695 6.466 1.00 0.00 C ATOM 1636 C VAL A 106 -0.328 7.184 6.144 1.00 0.00 C ATOM 1637 O VAL A 106 -1.323 7.601 5.513 1.00 0.00 O ATOM 1638 CB VAL A 106 0.711 5.015 5.470 1.00 0.00 C ATOM 1639 CG1 VAL A 106 0.897 3.548 5.827 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.203 5.164 4.044 1.00 0.00 C ATOM 1641 OXT VAL A 106 0.604 7.922 6.527 1.00 0.00 O ATOM 0 H VAL A 106 -1.913 4.855 5.506 1.00 0.00 H new ATOM 0 HA VAL A 106 0.136 5.564 7.477 1.00 0.00 H new ATOM 0 HB VAL A 106 1.680 5.509 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.578 3.084 5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.313 3.468 6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.067 3.040 5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.896 4.677 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.779 4.700 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.128 6.222 3.793 1.00 0.00 H new