USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 945 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 115 ASN :FLIP amide:sc= 0.0209 X(o=0,f=0.021) USER MOD Set 1.2: A 118 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0.021) USER MOD Set 2.1: A 97 ASN : amide:sc= 0.105 K(o=0.11,f=-8.4!) USER MOD Set 2.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 16 HIS :FLIP no HE2:sc= -1.47 X(o=0.0085,f=0.42) USER MOD Set 3.2: A 90 THR OG1 : rot -83:sc= -0.279 USER MOD Set 3.3: A 108 CYS SG : rot -15:sc= 0.777 USER MOD Set 3.4: A 110 ASN :FLIP amide:sc= 1.4 F(o=-1.7,f=0.42) USER MOD Set 4.1: A 5 ASN : amide:sc= -0.568 K(o=-3.5,f=-5.9!) USER MOD Set 4.2: A 36 GLN : amide:sc= -2.91! C(o=-3.5!,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0822 (180deg=0) USER MOD Single : A 3 MET CE :methyl -156:sc= -0.236 (180deg=-1.06) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.351 K(o=0.35,f=-2.6!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 14 SER OG : rot 118:sc= 0.662 USER MOD Single : A 17 ASN : amide:sc= 0.335 K(o=0.33,f=-3.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 27 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.34) USER MOD Single : A 29 CYS SG : rot -83:sc= -2.77! USER MOD Single : A 32 THR OG1 : rot 81:sc= 0.114 USER MOD Single : A 35 TYR OH : rot -75:sc= 1.39 USER MOD Single : A 38 GLN : amide:sc= -1.89! C(o=-1.9!,f=-4.4!) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.124) USER MOD Single : A 44 ASN : amide:sc= 0.819 K(o=0.82,f=-1.4) USER MOD Single : A 49 CYS SG : rot 91:sc= 0.672 USER MOD Single : A 50 HIS : no HE2:sc= -5.34! C(o=-5.3!,f=-12!) USER MOD Single : A 54 GLN : amide:sc= -1.77! C(o=-1.8!,f=-2.9!) USER MOD Single : A 55 GLN : amide:sc= -0.645 K(o=-0.64,f=-9!) USER MOD Single : A 60 SER OG : rot 83:sc= 1.04 USER MOD Single : A 62 GLN : amide:sc= -0.442 K(o=-0.44,f=-4.1!) USER MOD Single : A 63 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.62) USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= -0.131 (180deg=-0.594) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.0089) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -151:sc= 0 (180deg=-0.255) USER MOD Single : A 80 SER OG : rot 180:sc= -0.265 USER MOD Single : A 81 LYS NZ :NH3+ -156:sc= 1.3 (180deg=1.16) USER MOD Single : A 82 ASN : amide:sc= 1.16 K(o=1.2,f=-0.14) USER MOD Single : A 83 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.45) USER MOD Single : A 88 MET CE :methyl 172:sc= -3.8! (180deg=-4.19!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 77:sc= 0.437 USER MOD Single : A 94 THR OG1 : rot -138:sc= 0.569 USER MOD Single : A 96 GLN :FLIP amide:sc= -1.58 F(o=-2.2!,f=-1.6) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -101:sc= 1.2 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.557 F(o=-2.7,f=-0.56) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot -140:sc= -0.0331 USER MOD Single : A 117 SER OG : rot 54:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.331 22.099 0.471 1.00 0.00 N ATOM 2 CA GLY A 1 -8.127 21.232 0.465 1.00 0.00 C ATOM 3 C GLY A 1 -8.418 19.858 1.032 1.00 0.00 C ATOM 4 O GLY A 1 -9.575 19.545 1.328 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.625 22.292 -0.508 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.103 21.618 0.976 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.111 22.996 0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.756 21.133 -0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.336 21.705 1.047 1.00 0.00 H new ATOM 10 N ALA A 2 -7.371 19.046 1.188 1.00 0.00 N ATOM 11 CA ALA A 2 -7.493 17.692 1.737 1.00 0.00 C ATOM 12 C ALA A 2 -8.576 16.894 1.013 1.00 0.00 C ATOM 13 O ALA A 2 -9.522 16.401 1.638 1.00 0.00 O ATOM 14 CB ALA A 2 -7.777 17.747 3.233 1.00 0.00 C ATOM 0 H ALA A 2 -6.417 19.306 0.939 1.00 0.00 H new ATOM 0 HA ALA A 2 -6.543 17.181 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.865 16.733 3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.961 18.262 3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.709 18.285 3.407 1.00 0.00 H new ATOM 20 N MET A 3 -8.407 16.753 -0.304 1.00 0.00 N ATOM 21 CA MET A 3 -9.399 16.105 -1.163 1.00 0.00 C ATOM 22 C MET A 3 -9.000 16.260 -2.627 1.00 0.00 C ATOM 23 O MET A 3 -9.092 17.360 -3.178 1.00 0.00 O ATOM 24 CB MET A 3 -10.787 16.715 -0.947 1.00 0.00 C ATOM 25 CG MET A 3 -11.887 16.042 -1.739 1.00 0.00 C ATOM 26 SD MET A 3 -13.512 16.729 -1.375 1.00 0.00 S ATOM 27 CE MET A 3 -13.648 16.345 0.369 1.00 0.00 C ATOM 0 H MET A 3 -7.581 17.084 -0.803 1.00 0.00 H new ATOM 0 HA MET A 3 -9.436 15.047 -0.903 1.00 0.00 H new ATOM 0 HB2 MET A 3 -11.034 16.664 0.113 1.00 0.00 H new ATOM 0 HB3 MET A 3 -10.754 17.771 -1.216 1.00 0.00 H new ATOM 0 HG2 MET A 3 -11.681 16.147 -2.804 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.889 14.974 -1.519 1.00 0.00 H new ATOM 0 HE1 MET A 3 -14.700 16.302 0.651 1.00 0.00 H new ATOM 0 HE2 MET A 3 -13.179 15.381 0.567 1.00 0.00 H new ATOM 0 HE3 MET A 3 -13.148 17.118 0.952 1.00 0.00 H new ATOM 37 N ASP A 4 -8.538 15.162 -3.236 1.00 0.00 N ATOM 38 CA ASP A 4 -8.080 15.147 -4.639 1.00 0.00 C ATOM 39 C ASP A 4 -6.766 15.905 -4.812 1.00 0.00 C ATOM 40 O ASP A 4 -5.866 15.426 -5.502 1.00 0.00 O ATOM 41 CB ASP A 4 -9.144 15.701 -5.590 1.00 0.00 C ATOM 42 CG ASP A 4 -9.970 14.607 -6.238 1.00 0.00 C ATOM 43 OD1 ASP A 4 -10.800 13.981 -5.538 1.00 0.00 O ATOM 44 OD2 ASP A 4 -9.792 14.368 -7.449 1.00 0.00 O ATOM 0 H ASP A 4 -8.469 14.255 -2.774 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.906 14.103 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.804 16.373 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.660 16.294 -6.366 1.00 0.00 H new ATOM 49 N ASN A 5 -6.662 17.074 -4.189 1.00 0.00 N ATOM 50 CA ASN A 5 -5.423 17.852 -4.163 1.00 0.00 C ATOM 51 C ASN A 5 -4.940 18.140 -5.578 1.00 0.00 C ATOM 52 O ASN A 5 -3.894 17.638 -6.001 1.00 0.00 O ATOM 53 CB ASN A 5 -4.344 17.119 -3.353 1.00 0.00 C ATOM 54 CG ASN A 5 -4.812 16.755 -1.951 1.00 0.00 C ATOM 55 OD1 ASN A 5 -5.679 17.415 -1.375 1.00 0.00 O ATOM 56 ND2 ASN A 5 -4.239 15.700 -1.392 1.00 0.00 N ATOM 0 H ASN A 5 -7.434 17.512 -3.686 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.624 18.806 -3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.052 16.212 -3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.456 17.748 -3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.512 15.409 -0.453 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.525 15.178 -1.900 1.00 0.00 H new ATOM 63 N VAL A 6 -5.749 18.925 -6.299 1.00 0.00 N ATOM 64 CA VAL A 6 -5.508 19.329 -7.697 1.00 0.00 C ATOM 65 C VAL A 6 -5.666 18.141 -8.656 1.00 0.00 C ATOM 66 O VAL A 6 -5.422 18.259 -9.861 1.00 0.00 O ATOM 67 CB VAL A 6 -4.136 20.045 -7.904 1.00 0.00 C ATOM 68 CG1 VAL A 6 -3.023 19.088 -8.322 1.00 0.00 C ATOM 69 CG2 VAL A 6 -4.277 21.172 -8.917 1.00 0.00 C ATOM 0 H VAL A 6 -6.614 19.309 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.274 20.067 -7.935 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.846 20.458 -6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.094 19.644 -8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.888 18.329 -7.552 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.291 18.607 -9.263 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.313 21.663 -9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.613 20.764 -9.870 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.006 21.897 -8.555 1.00 0.00 H new ATOM 79 N CYS A 7 -6.132 17.023 -8.095 1.00 0.00 N ATOM 80 CA CYS A 7 -6.361 15.777 -8.829 1.00 0.00 C ATOM 81 C CYS A 7 -5.039 15.107 -9.196 1.00 0.00 C ATOM 82 O CYS A 7 -4.184 15.693 -9.864 1.00 0.00 O ATOM 83 CB CYS A 7 -7.219 16.007 -10.077 1.00 0.00 C ATOM 84 SG CYS A 7 -7.773 14.485 -10.878 1.00 0.00 S ATOM 0 H CYS A 7 -6.364 16.957 -7.104 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.912 15.107 -8.169 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.092 16.599 -9.801 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.648 16.596 -10.795 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.492 14.780 -11.920 1.00 0.00 H new ATOM 90 N GLN A 8 -4.878 13.877 -8.736 1.00 0.00 N ATOM 91 CA GLN A 8 -3.641 13.134 -8.918 1.00 0.00 C ATOM 92 C GLN A 8 -3.883 11.853 -9.719 1.00 0.00 C ATOM 93 O GLN A 8 -5.025 11.422 -9.876 1.00 0.00 O ATOM 94 CB GLN A 8 -3.046 12.800 -7.545 1.00 0.00 C ATOM 95 CG GLN A 8 -2.712 14.028 -6.715 1.00 0.00 C ATOM 96 CD GLN A 8 -1.609 14.866 -7.327 1.00 0.00 C ATOM 97 OE1 GLN A 8 -0.710 14.348 -7.987 1.00 0.00 O ATOM 98 NE2 GLN A 8 -1.677 16.170 -7.126 1.00 0.00 N ATOM 0 H GLN A 8 -5.599 13.366 -8.227 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.939 13.750 -9.480 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.752 12.179 -6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.141 12.208 -7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.607 14.640 -6.602 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.412 13.715 -5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.439 16.562 -6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.968 16.785 -7.525 1.00 0.00 H new ATOM 107 N PRO A 9 -2.811 11.260 -10.266 1.00 0.00 N ATOM 108 CA PRO A 9 -2.862 9.931 -10.898 1.00 0.00 C ATOM 109 C PRO A 9 -3.340 8.845 -9.930 1.00 0.00 C ATOM 110 O PRO A 9 -3.270 9.012 -8.710 1.00 0.00 O ATOM 111 CB PRO A 9 -1.407 9.666 -11.301 1.00 0.00 C ATOM 112 CG PRO A 9 -0.765 11.009 -11.366 1.00 0.00 C ATOM 113 CD PRO A 9 -1.468 11.861 -10.349 1.00 0.00 C ATOM 0 HA PRO A 9 -3.564 9.910 -11.732 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.908 9.026 -10.573 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.352 9.157 -12.263 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.301 10.942 -11.147 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.859 11.437 -12.364 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.958 11.839 -9.386 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.514 12.904 -10.662 1.00 0.00 H new ATOM 121 N THR A 10 -3.803 7.725 -10.479 1.00 0.00 N ATOM 122 CA THR A 10 -4.321 6.625 -9.681 1.00 0.00 C ATOM 123 C THR A 10 -3.220 5.645 -9.279 1.00 0.00 C ATOM 124 O THR A 10 -3.463 4.445 -9.119 1.00 0.00 O ATOM 125 CB THR A 10 -5.416 5.880 -10.457 1.00 0.00 C ATOM 126 OG1 THR A 10 -5.021 5.725 -11.829 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.735 6.625 -10.378 1.00 0.00 C ATOM 0 H THR A 10 -3.828 7.558 -11.485 1.00 0.00 H new ATOM 0 HA THR A 10 -4.740 7.052 -8.770 1.00 0.00 H new ATOM 0 HB THR A 10 -5.551 4.897 -10.007 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.722 5.248 -12.319 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.496 6.078 -10.935 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.042 6.713 -9.336 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.617 7.620 -10.806 1.00 0.00 H new ATOM 135 N GLU A 11 -2.006 6.157 -9.156 1.00 0.00 N ATOM 136 CA GLU A 11 -0.898 5.386 -8.622 1.00 0.00 C ATOM 137 C GLU A 11 -0.097 6.255 -7.664 1.00 0.00 C ATOM 138 O GLU A 11 0.212 7.406 -7.978 1.00 0.00 O ATOM 139 CB GLU A 11 0.002 4.888 -9.758 1.00 0.00 C ATOM 140 CG GLU A 11 1.181 4.048 -9.289 1.00 0.00 C ATOM 141 CD GLU A 11 2.075 3.612 -10.430 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.707 2.659 -11.149 1.00 0.00 O ATOM 143 OE2 GLU A 11 3.156 4.218 -10.610 1.00 0.00 O ATOM 0 H GLU A 11 -1.763 7.111 -9.422 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.289 4.520 -8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.598 4.299 -10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.379 5.747 -10.313 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.768 4.621 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.809 3.167 -8.766 1.00 0.00 H new ATOM 150 N PHE A 12 0.246 5.714 -6.509 1.00 0.00 N ATOM 151 CA PHE A 12 1.039 6.454 -5.544 1.00 0.00 C ATOM 152 C PHE A 12 2.124 5.569 -4.955 1.00 0.00 C ATOM 153 O PHE A 12 1.953 4.358 -4.822 1.00 0.00 O ATOM 154 CB PHE A 12 0.160 7.051 -4.431 1.00 0.00 C ATOM 155 CG PHE A 12 -0.534 6.054 -3.533 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.757 5.508 -3.886 1.00 0.00 C ATOM 157 CD2 PHE A 12 0.026 5.691 -2.317 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.405 4.616 -3.048 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.620 4.804 -1.473 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.837 4.264 -1.839 1.00 0.00 C ATOM 0 H PHE A 12 -0.010 4.771 -6.217 1.00 0.00 H new ATOM 0 HA PHE A 12 1.513 7.283 -6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.781 7.698 -3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.598 7.684 -4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.211 5.781 -4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.979 6.106 -2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.356 4.195 -3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.172 4.534 -0.528 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.342 3.570 -1.183 1.00 0.00 H new ATOM 170 N ILE A 13 3.251 6.177 -4.631 1.00 0.00 N ATOM 171 CA ILE A 13 4.340 5.466 -3.996 1.00 0.00 C ATOM 172 C ILE A 13 4.429 5.881 -2.538 1.00 0.00 C ATOM 173 O ILE A 13 4.422 7.069 -2.222 1.00 0.00 O ATOM 174 CB ILE A 13 5.689 5.728 -4.699 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.615 5.292 -6.164 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.816 4.994 -3.983 1.00 0.00 C ATOM 177 CD1 ILE A 13 6.907 5.497 -6.927 1.00 0.00 C ATOM 0 H ILE A 13 3.434 7.166 -4.799 1.00 0.00 H new ATOM 0 HA ILE A 13 4.134 4.398 -4.071 1.00 0.00 H new ATOM 0 HB ILE A 13 5.898 6.797 -4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.342 4.238 -6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.819 5.848 -6.659 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.759 5.190 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.881 5.343 -2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.615 3.923 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.778 5.165 -7.957 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.172 6.554 -6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.703 4.919 -6.457 1.00 0.00 H new ATOM 189 N SER A 14 4.488 4.900 -1.662 1.00 0.00 N ATOM 190 CA SER A 14 4.538 5.168 -0.241 1.00 0.00 C ATOM 191 C SER A 14 5.569 4.290 0.445 1.00 0.00 C ATOM 192 O SER A 14 5.842 3.172 0.012 1.00 0.00 O ATOM 193 CB SER A 14 3.160 4.954 0.384 1.00 0.00 C ATOM 194 OG SER A 14 2.206 5.832 -0.184 1.00 0.00 O ATOM 0 H SER A 14 4.502 3.911 -1.909 1.00 0.00 H new ATOM 0 HA SER A 14 4.834 6.208 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.845 3.921 0.234 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.215 5.117 1.460 1.00 0.00 H new ATOM 0 HG SER A 14 1.510 5.311 -0.636 1.00 0.00 H new ATOM 200 N ARG A 15 6.144 4.806 1.513 1.00 0.00 N ATOM 201 CA ARG A 15 7.087 4.059 2.312 1.00 0.00 C ATOM 202 C ARG A 15 6.438 3.751 3.649 1.00 0.00 C ATOM 203 O ARG A 15 5.856 4.636 4.280 1.00 0.00 O ATOM 204 CB ARG A 15 8.388 4.849 2.490 1.00 0.00 C ATOM 205 CG ARG A 15 9.123 5.092 1.179 1.00 0.00 C ATOM 206 CD ARG A 15 10.380 5.925 1.369 1.00 0.00 C ATOM 207 NE ARG A 15 11.156 6.025 0.130 1.00 0.00 N ATOM 208 CZ ARG A 15 12.318 6.671 0.017 1.00 0.00 C ATOM 209 NH1 ARG A 15 12.806 7.367 1.039 1.00 0.00 N ATOM 210 NH2 ARG A 15 12.972 6.643 -1.139 1.00 0.00 N ATOM 0 H ARG A 15 5.969 5.753 1.849 1.00 0.00 H new ATOM 0 HA ARG A 15 7.347 3.126 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.163 5.808 2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.044 4.309 3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.388 4.135 0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.457 5.597 0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.107 6.924 1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.997 5.480 2.150 1.00 0.00 H new ATOM 0 HE ARG A 15 10.782 5.570 -0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.291 7.410 1.919 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.695 7.858 0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.585 6.130 -1.931 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.861 7.134 -1.234 1.00 0.00 H new ATOM 224 N HIS A 16 6.500 2.498 4.061 1.00 0.00 N ATOM 225 CA HIS A 16 5.783 2.065 5.249 1.00 0.00 C ATOM 226 C HIS A 16 6.522 0.936 5.944 1.00 0.00 C ATOM 227 O HIS A 16 7.240 0.175 5.309 1.00 0.00 O ATOM 228 CB HIS A 16 4.342 1.641 4.891 1.00 0.00 C ATOM 229 CG HIS A 16 4.201 0.449 3.989 1.00 0.00 C ATOM 230 ND1 HIS A 16 5.027 -0.076 3.053 1.00 0.00 N flip ATOM 231 CD2 HIS A 16 3.071 -0.341 3.982 1.00 0.00 C flip ATOM 232 CE1 HIS A 16 4.385 -1.160 2.502 1.00 0.00 C flip ATOM 233 NE2 HIS A 16 3.209 -1.298 3.082 1.00 0.00 N flip ATOM 0 H HIS A 16 7.035 1.766 3.595 1.00 0.00 H new ATOM 0 HA HIS A 16 5.728 2.907 5.940 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.807 1.433 5.818 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.844 2.488 4.418 1.00 0.00 H new ATOM 0 HD1 HIS A 16 5.954 0.269 2.803 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.207 -0.199 4.614 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.779 -1.794 1.722 1.00 0.00 H new ATOM 242 N ASN A 17 6.328 0.826 7.247 1.00 0.00 N ATOM 243 CA ASN A 17 7.003 -0.192 8.029 1.00 0.00 C ATOM 244 C ASN A 17 6.327 -1.537 7.790 1.00 0.00 C ATOM 245 O ASN A 17 5.149 -1.575 7.422 1.00 0.00 O ATOM 246 CB ASN A 17 7.002 0.180 9.514 1.00 0.00 C ATOM 247 CG ASN A 17 7.870 -0.749 10.347 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.828 -1.341 9.848 1.00 0.00 O ATOM 249 ND2 ASN A 17 7.554 -0.872 11.623 1.00 0.00 N ATOM 0 H ASN A 17 5.707 1.431 7.785 1.00 0.00 H new ATOM 0 HA ASN A 17 8.044 -0.264 7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.357 1.204 9.629 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.980 0.153 9.891 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.111 -1.473 12.231 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.753 -0.366 12.001 1.00 0.00 H new ATOM 256 N ILE A 18 7.071 -2.620 8.030 1.00 0.00 N ATOM 257 CA ILE A 18 6.714 -3.970 7.569 1.00 0.00 C ATOM 258 C ILE A 18 5.279 -4.393 7.901 1.00 0.00 C ATOM 259 O ILE A 18 4.671 -5.150 7.148 1.00 0.00 O ATOM 260 CB ILE A 18 7.690 -5.028 8.129 1.00 0.00 C ATOM 261 CG1 ILE A 18 7.736 -4.970 9.659 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.084 -4.825 7.541 1.00 0.00 C ATOM 263 CD1 ILE A 18 8.617 -6.030 10.282 1.00 0.00 C ATOM 0 H ILE A 18 7.946 -2.587 8.554 1.00 0.00 H new ATOM 0 HA ILE A 18 6.789 -3.918 6.483 1.00 0.00 H new ATOM 0 HB ILE A 18 7.331 -6.015 7.839 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.093 -3.987 9.966 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.724 -5.077 10.048 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.762 -5.577 7.944 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.039 -4.921 6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.448 -3.831 7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.600 -5.926 11.367 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.248 -7.018 10.006 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.639 -5.911 9.922 1.00 0.00 H new ATOM 275 N GLU A 19 4.727 -3.893 8.997 1.00 0.00 N ATOM 276 CA GLU A 19 3.387 -4.288 9.417 1.00 0.00 C ATOM 277 C GLU A 19 2.328 -3.510 8.641 1.00 0.00 C ATOM 278 O GLU A 19 1.128 -3.651 8.878 1.00 0.00 O ATOM 279 CB GLU A 19 3.226 -4.064 10.919 1.00 0.00 C ATOM 280 CG GLU A 19 4.281 -4.784 11.740 1.00 0.00 C ATOM 281 CD GLU A 19 4.347 -4.279 13.162 1.00 0.00 C ATOM 282 OE1 GLU A 19 5.101 -3.319 13.411 1.00 0.00 O ATOM 283 OE2 GLU A 19 3.643 -4.833 14.032 1.00 0.00 O ATOM 0 H GLU A 19 5.182 -3.216 9.610 1.00 0.00 H new ATOM 0 HA GLU A 19 3.251 -5.348 9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.276 -2.996 11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.238 -4.404 11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.066 -5.853 11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.255 -4.658 11.267 1.00 0.00 H new ATOM 290 N GLY A 20 2.780 -2.678 7.712 1.00 0.00 N ATOM 291 CA GLY A 20 1.871 -1.959 6.859 1.00 0.00 C ATOM 292 C GLY A 20 1.689 -0.520 7.278 1.00 0.00 C ATOM 293 O GLY A 20 0.884 0.193 6.683 1.00 0.00 O ATOM 0 H GLY A 20 3.768 -2.491 7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.240 -1.990 5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.903 -2.459 6.864 1.00 0.00 H new ATOM 297 N ILE A 21 2.453 -0.087 8.277 1.00 0.00 N ATOM 298 CA ILE A 21 2.293 1.257 8.840 1.00 0.00 C ATOM 299 C ILE A 21 2.943 2.301 7.945 1.00 0.00 C ATOM 300 O ILE A 21 4.167 2.382 7.870 1.00 0.00 O ATOM 301 CB ILE A 21 2.917 1.363 10.255 1.00 0.00 C ATOM 302 CG1 ILE A 21 2.204 0.427 11.236 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.865 2.800 10.763 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.746 0.766 11.445 1.00 0.00 C ATOM 0 H ILE A 21 3.188 -0.643 8.715 1.00 0.00 H new ATOM 0 HA ILE A 21 1.221 1.442 8.908 1.00 0.00 H new ATOM 0 HB ILE A 21 3.961 1.059 10.185 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.281 -0.597 10.870 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.718 0.462 12.197 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.308 2.851 11.758 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.422 3.446 10.084 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.828 3.132 10.811 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.306 0.062 12.151 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.661 1.778 11.841 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.218 0.703 10.494 1.00 0.00 H new ATOM 316 N PHE A 22 2.127 3.102 7.274 1.00 0.00 N ATOM 317 CA PHE A 22 2.641 4.109 6.356 1.00 0.00 C ATOM 318 C PHE A 22 3.307 5.256 7.105 1.00 0.00 C ATOM 319 O PHE A 22 2.691 5.893 7.960 1.00 0.00 O ATOM 320 CB PHE A 22 1.525 4.639 5.461 1.00 0.00 C ATOM 321 CG PHE A 22 0.993 3.616 4.499 1.00 0.00 C ATOM 322 CD1 PHE A 22 -0.034 2.766 4.867 1.00 0.00 C ATOM 323 CD2 PHE A 22 1.519 3.510 3.221 1.00 0.00 C ATOM 324 CE1 PHE A 22 -0.525 1.828 3.983 1.00 0.00 C ATOM 325 CE2 PHE A 22 1.032 2.571 2.332 1.00 0.00 C ATOM 326 CZ PHE A 22 0.009 1.729 2.715 1.00 0.00 C ATOM 0 H PHE A 22 1.110 3.075 7.347 1.00 0.00 H new ATOM 0 HA PHE A 22 3.396 3.632 5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.708 4.998 6.087 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.896 5.496 4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.457 2.838 5.858 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.319 4.169 2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.328 1.171 4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.451 2.497 1.340 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.373 0.993 2.023 1.00 0.00 H new ATOM 336 N THR A 23 4.568 5.494 6.782 1.00 0.00 N ATOM 337 CA THR A 23 5.342 6.562 7.391 1.00 0.00 C ATOM 338 C THR A 23 5.516 7.727 6.417 1.00 0.00 C ATOM 339 O THR A 23 5.675 8.879 6.823 1.00 0.00 O ATOM 340 CB THR A 23 6.723 6.041 7.828 1.00 0.00 C ATOM 341 OG1 THR A 23 7.262 5.195 6.801 1.00 0.00 O ATOM 342 CG2 THR A 23 6.625 5.268 9.136 1.00 0.00 C ATOM 0 H THR A 23 5.084 4.951 6.089 1.00 0.00 H new ATOM 0 HA THR A 23 4.799 6.915 8.268 1.00 0.00 H new ATOM 0 HB THR A 23 7.382 6.894 7.986 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.142 4.864 7.078 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.614 4.911 9.423 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.235 5.921 9.916 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.956 4.418 9.007 1.00 0.00 H new ATOM 350 N PHE A 24 5.489 7.414 5.130 1.00 0.00 N ATOM 351 CA PHE A 24 5.563 8.428 4.089 1.00 0.00 C ATOM 352 C PHE A 24 4.614 8.084 2.951 1.00 0.00 C ATOM 353 O PHE A 24 4.758 7.046 2.311 1.00 0.00 O ATOM 354 CB PHE A 24 6.999 8.555 3.564 1.00 0.00 C ATOM 355 CG PHE A 24 7.126 9.430 2.347 1.00 0.00 C ATOM 356 CD1 PHE A 24 6.854 10.786 2.421 1.00 0.00 C ATOM 357 CD2 PHE A 24 7.508 8.892 1.125 1.00 0.00 C ATOM 358 CE1 PHE A 24 6.962 11.590 1.302 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.617 9.692 0.005 1.00 0.00 C ATOM 360 CZ PHE A 24 7.343 11.044 0.094 1.00 0.00 C ATOM 0 H PHE A 24 5.416 6.459 4.780 1.00 0.00 H new ATOM 0 HA PHE A 24 5.265 9.386 4.516 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.631 8.956 4.356 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.378 7.561 3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.554 11.220 3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.722 7.836 1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.748 12.646 1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.916 9.262 -0.940 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.427 11.672 -0.781 1.00 0.00 H new ATOM 370 N VAL A 25 3.640 8.949 2.713 1.00 0.00 N ATOM 371 CA VAL A 25 2.665 8.733 1.651 1.00 0.00 C ATOM 372 C VAL A 25 2.641 9.916 0.694 1.00 0.00 C ATOM 373 O VAL A 25 2.656 11.070 1.124 1.00 0.00 O ATOM 374 CB VAL A 25 1.246 8.532 2.222 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.225 8.410 1.101 1.00 0.00 C ATOM 376 CG2 VAL A 25 1.201 7.309 3.121 1.00 0.00 C ATOM 0 H VAL A 25 3.502 9.810 3.242 1.00 0.00 H new ATOM 0 HA VAL A 25 2.967 7.831 1.118 1.00 0.00 H new ATOM 0 HB VAL A 25 0.992 9.408 2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.768 8.269 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.236 9.318 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.475 7.555 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.192 7.184 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.479 6.425 2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.899 7.439 3.948 1.00 0.00 H new ATOM 386 N ASP A 26 2.619 9.628 -0.601 1.00 0.00 N ATOM 387 CA ASP A 26 2.492 10.664 -1.613 1.00 0.00 C ATOM 388 C ASP A 26 1.030 11.066 -1.788 1.00 0.00 C ATOM 389 O ASP A 26 0.115 10.263 -1.604 1.00 0.00 O ATOM 390 CB ASP A 26 3.067 10.189 -2.950 1.00 0.00 C ATOM 391 CG ASP A 26 3.100 11.301 -3.979 1.00 0.00 C ATOM 392 OD1 ASP A 26 2.040 11.607 -4.565 1.00 0.00 O ATOM 393 OD2 ASP A 26 4.175 11.894 -4.183 1.00 0.00 O ATOM 0 H ASP A 26 2.688 8.681 -0.974 1.00 0.00 H new ATOM 0 HA ASP A 26 3.058 11.533 -1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.076 9.807 -2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.468 9.361 -3.329 1.00 0.00 H new ATOM 398 N HIS A 27 0.841 12.329 -2.147 1.00 0.00 N ATOM 399 CA HIS A 27 -0.477 12.962 -2.244 1.00 0.00 C ATOM 400 C HIS A 27 -1.391 12.246 -3.231 1.00 0.00 C ATOM 401 O HIS A 27 -2.608 12.400 -3.165 1.00 0.00 O ATOM 402 CB HIS A 27 -0.316 14.411 -2.697 1.00 0.00 C ATOM 403 CG HIS A 27 0.782 15.154 -1.999 1.00 0.00 C ATOM 404 ND1 HIS A 27 1.994 15.431 -2.595 1.00 0.00 N ATOM 405 CD2 HIS A 27 0.854 15.669 -0.752 1.00 0.00 C ATOM 406 CE1 HIS A 27 2.760 16.087 -1.746 1.00 0.00 C ATOM 407 NE2 HIS A 27 2.092 16.243 -0.619 1.00 0.00 N ATOM 0 H HIS A 27 1.609 12.957 -2.384 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.933 12.909 -1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -0.124 14.425 -3.770 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.256 14.938 -2.534 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.080 15.635 0.000 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.763 16.437 -1.940 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.440 16.714 0.216 1.00 0.00 H new ATOM 416 N ARG A 28 -0.803 11.473 -4.143 1.00 0.00 N ATOM 417 CA ARG A 28 -1.568 10.729 -5.146 1.00 0.00 C ATOM 418 C ARG A 28 -2.421 9.639 -4.494 1.00 0.00 C ATOM 419 O ARG A 28 -3.237 8.989 -5.153 1.00 0.00 O ATOM 420 CB ARG A 28 -0.616 10.129 -6.184 1.00 0.00 C ATOM 421 CG ARG A 28 0.216 11.183 -6.894 1.00 0.00 C ATOM 422 CD ARG A 28 1.357 10.581 -7.697 1.00 0.00 C ATOM 423 NE ARG A 28 2.285 11.619 -8.139 1.00 0.00 N ATOM 424 CZ ARG A 28 3.502 11.393 -8.627 1.00 0.00 C ATOM 425 NH1 ARG A 28 3.943 10.155 -8.817 1.00 0.00 N ATOM 426 NH2 ARG A 28 4.276 12.421 -8.935 1.00 0.00 N ATOM 0 H ARG A 28 0.207 11.345 -4.209 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.247 11.419 -5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.048 9.417 -5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.193 9.571 -6.921 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.426 11.761 -7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.621 11.878 -6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.887 9.847 -7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.959 10.051 -8.562 1.00 0.00 H new ATOM 0 HE ARG A 28 1.977 12.589 -8.068 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.346 9.360 -8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.879 9.999 -9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.938 13.373 -8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.211 12.261 -9.310 1.00 0.00 H new ATOM 440 N CYS A 29 -2.234 9.454 -3.193 1.00 0.00 N ATOM 441 CA CYS A 29 -3.023 8.506 -2.420 1.00 0.00 C ATOM 442 C CYS A 29 -4.507 8.859 -2.465 1.00 0.00 C ATOM 443 O CYS A 29 -5.367 7.978 -2.518 1.00 0.00 O ATOM 444 CB CYS A 29 -2.523 8.483 -0.978 1.00 0.00 C ATOM 445 SG CYS A 29 -3.354 7.284 0.084 1.00 0.00 S ATOM 0 H CYS A 29 -1.534 9.955 -2.647 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.906 7.515 -2.859 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.455 8.268 -0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.647 9.477 -0.548 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.471 7.789 0.518 1.00 0.00 H new ATOM 451 N VAL A 30 -4.793 10.152 -2.478 1.00 0.00 N ATOM 452 CA VAL A 30 -6.165 10.641 -2.429 1.00 0.00 C ATOM 453 C VAL A 30 -6.938 10.261 -3.681 1.00 0.00 C ATOM 454 O VAL A 30 -8.143 10.019 -3.629 1.00 0.00 O ATOM 455 CB VAL A 30 -6.192 12.173 -2.253 1.00 0.00 C ATOM 456 CG1 VAL A 30 -5.351 12.572 -1.065 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.704 12.889 -3.502 1.00 0.00 C ATOM 0 H VAL A 30 -4.088 10.888 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.644 10.170 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.226 12.471 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.376 13.655 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.746 12.101 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.322 12.248 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.737 13.966 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.680 12.586 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.345 12.629 -4.344 1.00 0.00 H new ATOM 467 N ALA A 31 -6.249 10.213 -4.805 1.00 0.00 N ATOM 468 CA ALA A 31 -6.893 9.874 -6.060 1.00 0.00 C ATOM 469 C ALA A 31 -7.080 8.373 -6.170 1.00 0.00 C ATOM 470 O ALA A 31 -8.176 7.892 -6.455 1.00 0.00 O ATOM 471 CB ALA A 31 -6.083 10.399 -7.228 1.00 0.00 C ATOM 0 H ALA A 31 -5.249 10.403 -4.875 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.876 10.345 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.579 10.136 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.999 11.483 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.088 9.955 -7.209 1.00 0.00 H new ATOM 477 N THR A 32 -5.997 7.643 -5.953 1.00 0.00 N ATOM 478 CA THR A 32 -6.025 6.192 -5.972 1.00 0.00 C ATOM 479 C THR A 32 -7.035 5.606 -4.989 1.00 0.00 C ATOM 480 O THR A 32 -7.910 4.834 -5.377 1.00 0.00 O ATOM 481 CB THR A 32 -4.635 5.626 -5.639 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.623 6.432 -6.260 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.508 4.196 -6.126 1.00 0.00 C ATOM 0 H THR A 32 -5.077 8.040 -5.759 1.00 0.00 H new ATOM 0 HA THR A 32 -6.327 5.906 -6.980 1.00 0.00 H new ATOM 0 HB THR A 32 -4.507 5.641 -4.557 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.457 7.228 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.517 3.815 -5.880 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.265 3.578 -5.642 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.651 4.165 -7.206 1.00 0.00 H new ATOM 491 N VAL A 33 -6.917 5.967 -3.715 1.00 0.00 N ATOM 492 CA VAL A 33 -7.666 5.273 -2.677 1.00 0.00 C ATOM 493 C VAL A 33 -8.340 6.230 -1.695 1.00 0.00 C ATOM 494 O VAL A 33 -8.686 5.841 -0.579 1.00 0.00 O ATOM 495 CB VAL A 33 -6.757 4.298 -1.903 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.166 3.257 -2.842 1.00 0.00 C ATOM 497 CG2 VAL A 33 -5.650 5.044 -1.174 1.00 0.00 C ATOM 0 H VAL A 33 -6.320 6.724 -3.382 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.451 4.716 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.369 3.788 -1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.527 2.578 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.971 2.692 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.576 3.754 -3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.024 4.332 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.042 5.589 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.090 5.747 -0.466 1.00 0.00 H new ATOM 507 N GLY A 34 -8.526 7.476 -2.102 1.00 0.00 N ATOM 508 CA GLY A 34 -9.275 8.414 -1.280 1.00 0.00 C ATOM 509 C GLY A 34 -8.487 9.004 -0.125 1.00 0.00 C ATOM 510 O GLY A 34 -8.655 10.178 0.208 1.00 0.00 O ATOM 0 H GLY A 34 -8.176 7.857 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.633 9.227 -1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.155 7.908 -0.883 1.00 0.00 H new ATOM 514 N TYR A 35 -7.637 8.199 0.491 1.00 0.00 N ATOM 515 CA TYR A 35 -6.942 8.618 1.697 1.00 0.00 C ATOM 516 C TYR A 35 -5.909 9.670 1.388 1.00 0.00 C ATOM 517 O TYR A 35 -5.173 9.575 0.415 1.00 0.00 O ATOM 518 CB TYR A 35 -6.269 7.434 2.390 1.00 0.00 C ATOM 519 CG TYR A 35 -7.248 6.384 2.829 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.216 6.677 3.774 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.222 5.110 2.284 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.136 5.730 4.167 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.141 4.158 2.667 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.098 4.475 3.610 1.00 0.00 C ATOM 525 OH TYR A 35 -10.024 3.535 3.990 1.00 0.00 O ATOM 0 H TYR A 35 -7.412 7.255 0.177 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.690 9.039 2.368 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.543 6.986 1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.715 7.793 3.257 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.251 7.664 4.210 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.471 4.860 1.549 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.883 5.973 4.909 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.113 3.170 2.232 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.801 3.199 4.883 1.00 0.00 H new ATOM 535 N GLN A 36 -5.866 10.668 2.235 1.00 0.00 N ATOM 536 CA GLN A 36 -4.875 11.710 2.121 1.00 0.00 C ATOM 537 C GLN A 36 -3.558 11.150 2.624 1.00 0.00 C ATOM 538 O GLN A 36 -3.570 10.201 3.408 1.00 0.00 O ATOM 539 CB GLN A 36 -5.281 12.923 2.967 1.00 0.00 C ATOM 540 CG GLN A 36 -6.744 13.311 2.814 1.00 0.00 C ATOM 541 CD GLN A 36 -7.054 13.921 1.468 1.00 0.00 C ATOM 542 OE1 GLN A 36 -6.227 14.621 0.882 1.00 0.00 O ATOM 543 NE2 GLN A 36 -8.243 13.649 0.957 1.00 0.00 N ATOM 0 H GLN A 36 -6.511 10.781 3.017 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.785 12.034 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.079 12.708 4.016 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.658 13.773 2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.366 12.427 2.958 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.010 14.020 3.598 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.899 13.065 1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.504 14.023 0.045 1.00 0.00 H new ATOM 552 N PRO A 37 -2.416 11.679 2.167 1.00 0.00 N ATOM 553 CA PRO A 37 -1.117 11.258 2.673 1.00 0.00 C ATOM 554 C PRO A 37 -1.133 11.148 4.197 1.00 0.00 C ATOM 555 O PRO A 37 -0.813 10.102 4.761 1.00 0.00 O ATOM 556 CB PRO A 37 -0.162 12.372 2.211 1.00 0.00 C ATOM 557 CG PRO A 37 -0.992 13.357 1.439 1.00 0.00 C ATOM 558 CD PRO A 37 -2.294 12.686 1.115 1.00 0.00 C ATOM 0 HA PRO A 37 -0.823 10.274 2.308 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.314 12.853 3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.635 11.965 1.589 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.161 14.260 2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.479 13.660 0.527 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.126 13.390 1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.279 12.234 0.123 1.00 0.00 H new ATOM 566 N GLN A 38 -1.597 12.217 4.837 1.00 0.00 N ATOM 567 CA GLN A 38 -1.714 12.278 6.291 1.00 0.00 C ATOM 568 C GLN A 38 -2.643 11.177 6.806 1.00 0.00 C ATOM 569 O GLN A 38 -2.323 10.480 7.768 1.00 0.00 O ATOM 570 CB GLN A 38 -2.260 13.643 6.725 1.00 0.00 C ATOM 571 CG GLN A 38 -1.450 14.840 6.240 1.00 0.00 C ATOM 572 CD GLN A 38 -1.663 15.153 4.772 1.00 0.00 C ATOM 573 OE1 GLN A 38 -2.713 14.850 4.206 1.00 0.00 O ATOM 574 NE2 GLN A 38 -0.681 15.773 4.145 1.00 0.00 N ATOM 0 H GLN A 38 -1.903 13.066 4.362 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.720 12.133 6.714 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.282 13.742 6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.306 13.671 7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.717 15.715 6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.391 14.648 6.413 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.176 16.009 4.646 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.779 16.016 3.159 1.00 0.00 H new ATOM 583 N GLU A 39 -3.777 11.013 6.128 1.00 0.00 N ATOM 584 CA GLU A 39 -4.795 10.041 6.516 1.00 0.00 C ATOM 585 C GLU A 39 -4.229 8.631 6.591 1.00 0.00 C ATOM 586 O GLU A 39 -4.652 7.830 7.426 1.00 0.00 O ATOM 587 CB GLU A 39 -5.951 10.062 5.514 1.00 0.00 C ATOM 588 CG GLU A 39 -7.052 11.042 5.864 1.00 0.00 C ATOM 589 CD GLU A 39 -7.920 10.535 6.997 1.00 0.00 C ATOM 590 OE1 GLU A 39 -8.497 9.434 6.861 1.00 0.00 O ATOM 591 OE2 GLU A 39 -8.044 11.234 8.024 1.00 0.00 O ATOM 0 H GLU A 39 -4.015 11.550 5.294 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.152 10.322 7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.559 10.309 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.378 9.061 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.611 11.999 6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.671 11.222 4.985 1.00 0.00 H new ATOM 598 N LEU A 40 -3.277 8.332 5.722 1.00 0.00 N ATOM 599 CA LEU A 40 -2.731 6.990 5.635 1.00 0.00 C ATOM 600 C LEU A 40 -1.568 6.815 6.610 1.00 0.00 C ATOM 601 O LEU A 40 -1.278 5.703 7.048 1.00 0.00 O ATOM 602 CB LEU A 40 -2.294 6.714 4.194 1.00 0.00 C ATOM 603 CG LEU A 40 -2.152 5.241 3.820 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.448 4.495 4.099 1.00 0.00 C ATOM 605 CD2 LEU A 40 -1.776 5.111 2.355 1.00 0.00 C ATOM 0 H LEU A 40 -2.868 9.000 5.069 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.499 6.269 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.016 7.174 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.338 7.208 4.022 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.362 4.800 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.330 3.446 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.690 4.570 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.254 4.934 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.677 4.057 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.552 5.564 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.828 5.619 2.176 1.00 0.00 H new ATOM 617 N LEU A 41 -0.913 7.924 6.950 1.00 0.00 N ATOM 618 CA LEU A 41 0.207 7.895 7.890 1.00 0.00 C ATOM 619 C LEU A 41 -0.218 7.342 9.249 1.00 0.00 C ATOM 620 O LEU A 41 -1.078 7.914 9.927 1.00 0.00 O ATOM 621 CB LEU A 41 0.805 9.291 8.074 1.00 0.00 C ATOM 622 CG LEU A 41 1.308 9.968 6.799 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.879 11.341 7.114 1.00 0.00 C ATOM 624 CD2 LEU A 41 2.349 9.102 6.110 1.00 0.00 C ATOM 0 H LEU A 41 -1.138 8.852 6.590 1.00 0.00 H new ATOM 0 HA LEU A 41 0.963 7.235 7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.051 9.932 8.531 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.634 9.222 8.778 1.00 0.00 H new ATOM 0 HG LEU A 41 0.464 10.094 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.232 11.808 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.104 11.963 7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.711 11.238 7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.695 9.600 5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.192 8.943 6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.907 8.140 5.849 1.00 0.00 H new ATOM 636 N GLY A 42 0.379 6.226 9.637 1.00 0.00 N ATOM 637 CA GLY A 42 0.089 5.635 10.929 1.00 0.00 C ATOM 638 C GLY A 42 -0.925 4.518 10.833 1.00 0.00 C ATOM 639 O GLY A 42 -1.163 3.799 11.802 1.00 0.00 O ATOM 0 H GLY A 42 1.063 5.716 9.078 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.011 5.250 11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.285 6.406 11.603 1.00 0.00 H new ATOM 643 N LYS A 43 -1.523 4.372 9.662 1.00 0.00 N ATOM 644 CA LYS A 43 -2.520 3.344 9.432 1.00 0.00 C ATOM 645 C LYS A 43 -1.918 2.209 8.616 1.00 0.00 C ATOM 646 O LYS A 43 -1.015 2.429 7.807 1.00 0.00 O ATOM 647 CB LYS A 43 -3.708 3.954 8.690 1.00 0.00 C ATOM 648 CG LYS A 43 -4.349 5.110 9.438 1.00 0.00 C ATOM 649 CD LYS A 43 -5.213 4.619 10.586 1.00 0.00 C ATOM 650 CE LYS A 43 -5.588 5.753 11.527 1.00 0.00 C ATOM 651 NZ LYS A 43 -6.151 6.931 10.806 1.00 0.00 N ATOM 0 H LYS A 43 -1.332 4.959 8.850 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.858 2.943 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.378 4.301 7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.457 3.181 8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.572 5.771 9.823 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.956 5.698 8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.118 4.159 10.190 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.679 3.847 11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.317 5.393 12.253 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.706 6.062 12.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.560 7.596 11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.395 7.406 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.891 6.614 10.148 1.00 0.00 H new ATOM 665 N ASN A 44 -2.393 0.994 8.854 1.00 0.00 N ATOM 666 CA ASN A 44 -1.957 -0.155 8.096 1.00 0.00 C ATOM 667 C ASN A 44 -2.707 -0.234 6.782 1.00 0.00 C ATOM 668 O ASN A 44 -3.901 0.055 6.720 1.00 0.00 O ATOM 669 CB ASN A 44 -2.247 -1.435 8.872 1.00 0.00 C ATOM 670 CG ASN A 44 -1.735 -1.424 10.299 1.00 0.00 C ATOM 671 OD1 ASN A 44 -2.389 -0.896 11.198 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.588 -2.043 10.525 1.00 0.00 N ATOM 0 H ASN A 44 -3.085 0.785 9.573 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.887 -0.051 7.915 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.324 -1.603 8.885 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.800 -2.277 8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.215 -2.095 11.473 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.077 -2.468 9.751 1.00 0.00 H new ATOM 679 N ILE A 45 -2.005 -0.647 5.742 1.00 0.00 N ATOM 680 CA ILE A 45 -2.635 -0.947 4.464 1.00 0.00 C ATOM 681 C ILE A 45 -3.624 -2.107 4.628 1.00 0.00 C ATOM 682 O ILE A 45 -4.603 -2.214 3.899 1.00 0.00 O ATOM 683 CB ILE A 45 -1.573 -1.296 3.395 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.231 -1.629 2.053 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.694 -2.446 3.867 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.240 -1.915 0.946 1.00 0.00 C ATOM 0 H ILE A 45 -0.994 -0.783 5.756 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.176 -0.062 4.129 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.941 -0.420 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.880 -2.496 2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.867 -0.796 1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.046 -2.676 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.186 -2.161 4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.312 -3.325 4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.778 -2.143 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.607 -1.041 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.620 -2.767 1.224 1.00 0.00 H new ATOM 698 N VAL A 46 -3.366 -2.953 5.620 1.00 0.00 N ATOM 699 CA VAL A 46 -4.233 -4.083 5.913 1.00 0.00 C ATOM 700 C VAL A 46 -5.509 -3.616 6.621 1.00 0.00 C ATOM 701 O VAL A 46 -6.548 -4.264 6.542 1.00 0.00 O ATOM 702 CB VAL A 46 -3.488 -5.135 6.770 1.00 0.00 C ATOM 703 CG1 VAL A 46 -3.276 -4.651 8.195 1.00 0.00 C ATOM 704 CG2 VAL A 46 -4.216 -6.468 6.757 1.00 0.00 C ATOM 0 H VAL A 46 -2.557 -2.874 6.237 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.517 -4.549 4.969 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.505 -5.279 6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.750 -5.417 8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.684 -3.736 8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.242 -4.452 8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.669 -7.187 7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.220 -6.338 7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.282 -6.837 5.733 1.00 0.00 H new ATOM 714 N GLU A 47 -5.432 -2.457 7.277 1.00 0.00 N ATOM 715 CA GLU A 47 -6.583 -1.881 7.968 1.00 0.00 C ATOM 716 C GLU A 47 -7.594 -1.366 6.961 1.00 0.00 C ATOM 717 O GLU A 47 -8.765 -1.152 7.278 1.00 0.00 O ATOM 718 CB GLU A 47 -6.150 -0.732 8.883 1.00 0.00 C ATOM 719 CG GLU A 47 -5.472 -1.178 10.167 1.00 0.00 C ATOM 720 CD GLU A 47 -6.410 -1.899 11.101 1.00 0.00 C ATOM 721 OE1 GLU A 47 -7.423 -1.294 11.511 1.00 0.00 O ATOM 722 OE2 GLU A 47 -6.145 -3.074 11.428 1.00 0.00 O ATOM 0 H GLU A 47 -4.581 -1.899 7.343 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.038 -2.664 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.469 -0.082 8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.026 -0.135 9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.635 -1.832 9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.058 -0.307 10.676 1.00 0.00 H new ATOM 729 N PHE A 48 -7.129 -1.149 5.743 1.00 0.00 N ATOM 730 CA PHE A 48 -7.986 -0.689 4.672 1.00 0.00 C ATOM 731 C PHE A 48 -7.967 -1.695 3.540 1.00 0.00 C ATOM 732 O PHE A 48 -8.035 -1.340 2.369 1.00 0.00 O ATOM 733 CB PHE A 48 -7.542 0.684 4.179 1.00 0.00 C ATOM 734 CG PHE A 48 -7.467 1.705 5.275 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.563 1.950 6.091 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.303 2.419 5.488 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.492 2.891 7.101 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.226 3.360 6.493 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.319 3.598 7.302 1.00 0.00 C ATOM 0 H PHE A 48 -6.155 -1.286 5.473 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.005 -0.596 5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.564 0.595 3.706 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.236 1.031 3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.480 1.400 5.935 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.443 2.238 4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.349 3.074 7.732 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.310 3.911 6.647 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.259 4.334 8.090 1.00 0.00 H new ATOM 749 N CYS A 49 -7.849 -2.954 3.905 1.00 0.00 N ATOM 750 CA CYS A 49 -7.898 -4.025 2.934 1.00 0.00 C ATOM 751 C CYS A 49 -9.199 -4.809 3.069 1.00 0.00 C ATOM 752 O CYS A 49 -9.731 -4.953 4.169 1.00 0.00 O ATOM 753 CB CYS A 49 -6.701 -4.957 3.130 1.00 0.00 C ATOM 754 SG CYS A 49 -6.657 -6.354 1.986 1.00 0.00 S ATOM 0 H CYS A 49 -7.718 -3.261 4.869 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.857 -3.594 1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.783 -4.380 3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.715 -5.338 4.151 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.981 -6.025 0.926 1.00 0.00 H new ATOM 760 N HIS A 50 -9.737 -5.253 1.938 1.00 0.00 N ATOM 761 CA HIS A 50 -10.813 -6.241 1.928 1.00 0.00 C ATOM 762 C HIS A 50 -10.420 -7.407 2.835 1.00 0.00 C ATOM 763 O HIS A 50 -9.415 -8.064 2.600 1.00 0.00 O ATOM 764 CB HIS A 50 -11.054 -6.706 0.478 1.00 0.00 C ATOM 765 CG HIS A 50 -11.831 -7.986 0.311 1.00 0.00 C ATOM 766 ND1 HIS A 50 -13.193 -8.089 0.493 1.00 0.00 N ATOM 767 CD2 HIS A 50 -11.420 -9.218 -0.065 1.00 0.00 C ATOM 768 CE1 HIS A 50 -13.579 -9.324 0.232 1.00 0.00 C ATOM 769 NE2 HIS A 50 -12.522 -10.028 -0.110 1.00 0.00 N ATOM 0 H HIS A 50 -9.444 -4.943 1.011 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.741 -5.811 2.305 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -11.581 -5.913 -0.053 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.086 -6.827 -0.009 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -13.808 -7.329 0.784 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.405 -9.510 -0.289 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.592 -9.694 0.290 1.00 0.00 H new ATOM 778 N PRO A 51 -11.203 -7.639 3.908 1.00 0.00 N ATOM 779 CA PRO A 51 -10.874 -8.598 4.982 1.00 0.00 C ATOM 780 C PRO A 51 -10.439 -9.978 4.494 1.00 0.00 C ATOM 781 O PRO A 51 -9.600 -10.622 5.118 1.00 0.00 O ATOM 782 CB PRO A 51 -12.181 -8.707 5.763 1.00 0.00 C ATOM 783 CG PRO A 51 -12.843 -7.389 5.570 1.00 0.00 C ATOM 784 CD PRO A 51 -12.467 -6.929 4.189 1.00 0.00 C ATOM 0 HA PRO A 51 -10.018 -8.247 5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.801 -9.521 5.387 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.997 -8.908 6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.925 -7.478 5.669 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.512 -6.673 6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.237 -7.182 3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.335 -5.848 4.151 1.00 0.00 H new ATOM 792 N GLU A 52 -10.990 -10.422 3.378 1.00 0.00 N ATOM 793 CA GLU A 52 -10.655 -11.731 2.835 1.00 0.00 C ATOM 794 C GLU A 52 -9.354 -11.682 2.032 1.00 0.00 C ATOM 795 O GLU A 52 -8.853 -12.711 1.583 1.00 0.00 O ATOM 796 CB GLU A 52 -11.805 -12.250 1.988 1.00 0.00 C ATOM 797 CG GLU A 52 -13.096 -12.389 2.773 1.00 0.00 C ATOM 798 CD GLU A 52 -14.298 -12.641 1.895 1.00 0.00 C ATOM 799 OE1 GLU A 52 -14.520 -13.803 1.503 1.00 0.00 O ATOM 800 OE2 GLU A 52 -15.030 -11.675 1.606 1.00 0.00 O ATOM 0 H GLU A 52 -11.671 -9.898 2.829 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.496 -12.420 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.966 -11.574 1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.534 -13.219 1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.995 -13.208 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.261 -11.481 3.353 1.00 0.00 H new ATOM 807 N ASP A 53 -8.806 -10.480 1.870 1.00 0.00 N ATOM 808 CA ASP A 53 -7.523 -10.291 1.191 1.00 0.00 C ATOM 809 C ASP A 53 -6.487 -9.833 2.208 1.00 0.00 C ATOM 810 O ASP A 53 -5.320 -9.621 1.875 1.00 0.00 O ATOM 811 CB ASP A 53 -7.600 -9.235 0.078 1.00 0.00 C ATOM 812 CG ASP A 53 -8.441 -9.643 -1.112 1.00 0.00 C ATOM 813 OD1 ASP A 53 -8.524 -10.853 -1.411 1.00 0.00 O ATOM 814 OD2 ASP A 53 -9.036 -8.747 -1.748 1.00 0.00 O ATOM 0 H ASP A 53 -9.233 -9.615 2.202 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.250 -11.244 0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.005 -8.313 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.590 -9.012 -0.265 1.00 0.00 H new ATOM 819 N GLN A 54 -6.924 -9.673 3.452 1.00 0.00 N ATOM 820 CA GLN A 54 -6.043 -9.210 4.512 1.00 0.00 C ATOM 821 C GLN A 54 -5.001 -10.271 4.837 1.00 0.00 C ATOM 822 O GLN A 54 -3.857 -9.951 5.161 1.00 0.00 O ATOM 823 CB GLN A 54 -6.851 -8.813 5.751 1.00 0.00 C ATOM 824 CG GLN A 54 -7.503 -7.444 5.612 1.00 0.00 C ATOM 825 CD GLN A 54 -8.401 -7.070 6.780 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.208 -7.534 7.904 1.00 0.00 O ATOM 827 NE2 GLN A 54 -9.376 -6.209 6.513 1.00 0.00 N ATOM 0 H GLN A 54 -7.882 -9.857 3.749 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.515 -8.321 4.167 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.622 -9.562 5.932 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.196 -8.812 6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.723 -6.689 5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.090 -7.423 4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.496 -5.852 5.565 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.005 -5.904 7.256 1.00 0.00 H new ATOM 836 N GLN A 55 -5.391 -11.534 4.719 1.00 0.00 N ATOM 837 CA GLN A 55 -4.440 -12.628 4.829 1.00 0.00 C ATOM 838 C GLN A 55 -3.552 -12.679 3.593 1.00 0.00 C ATOM 839 O GLN A 55 -2.379 -13.037 3.678 1.00 0.00 O ATOM 840 CB GLN A 55 -5.149 -13.970 5.004 1.00 0.00 C ATOM 841 CG GLN A 55 -5.607 -14.251 6.425 1.00 0.00 C ATOM 842 CD GLN A 55 -4.480 -14.119 7.426 1.00 0.00 C ATOM 843 OE1 GLN A 55 -4.301 -13.068 8.043 1.00 0.00 O ATOM 844 NE2 GLN A 55 -3.688 -15.172 7.567 1.00 0.00 N ATOM 0 H GLN A 55 -6.354 -11.823 4.548 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.828 -12.446 5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.015 -14.000 4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.477 -14.767 4.686 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.408 -13.561 6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.022 -15.257 6.479 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.872 -16.023 7.036 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.894 -15.131 8.206 1.00 0.00 H new ATOM 853 N LEU A 56 -4.124 -12.312 2.448 1.00 0.00 N ATOM 854 CA LEU A 56 -3.382 -12.257 1.193 1.00 0.00 C ATOM 855 C LEU A 56 -2.224 -11.275 1.337 1.00 0.00 C ATOM 856 O LEU A 56 -1.074 -11.605 1.041 1.00 0.00 O ATOM 857 CB LEU A 56 -4.312 -11.824 0.050 1.00 0.00 C ATOM 858 CG LEU A 56 -4.050 -12.463 -1.320 1.00 0.00 C ATOM 859 CD1 LEU A 56 -5.043 -11.925 -2.340 1.00 0.00 C ATOM 860 CD2 LEU A 56 -2.623 -12.215 -1.788 1.00 0.00 C ATOM 0 H LEU A 56 -5.105 -12.047 2.365 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.987 -13.246 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.338 -12.048 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.240 -10.742 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.182 -13.541 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.852 -12.383 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.058 -12.163 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.932 -10.844 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.473 -12.682 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.448 -11.142 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.925 -12.643 -1.069 1.00 0.00 H new ATOM 872 N LEU A 57 -2.539 -10.071 1.808 1.00 0.00 N ATOM 873 CA LEU A 57 -1.520 -9.063 2.081 1.00 0.00 C ATOM 874 C LEU A 57 -0.536 -9.564 3.122 1.00 0.00 C ATOM 875 O LEU A 57 0.670 -9.498 2.916 1.00 0.00 O ATOM 876 CB LEU A 57 -2.144 -7.753 2.570 1.00 0.00 C ATOM 877 CG LEU A 57 -2.809 -6.898 1.497 1.00 0.00 C ATOM 878 CD1 LEU A 57 -3.298 -5.594 2.099 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.839 -6.622 0.360 1.00 0.00 C ATOM 0 H LEU A 57 -3.493 -9.770 2.008 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.996 -8.874 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.886 -7.988 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.367 -7.159 3.052 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.663 -7.444 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.771 -4.991 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.021 -5.805 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.453 -5.048 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.330 -6.011 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.968 -6.092 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.522 -7.565 -0.085 1.00 0.00 H new ATOM 891 N ARG A 58 -1.069 -10.080 4.226 1.00 0.00 N ATOM 892 CA ARG A 58 -0.254 -10.591 5.324 1.00 0.00 C ATOM 893 C ARG A 58 0.805 -11.550 4.797 1.00 0.00 C ATOM 894 O ARG A 58 2.001 -11.338 4.984 1.00 0.00 O ATOM 895 CB ARG A 58 -1.152 -11.319 6.324 1.00 0.00 C ATOM 896 CG ARG A 58 -0.471 -11.706 7.625 1.00 0.00 C ATOM 897 CD ARG A 58 -1.423 -12.508 8.493 1.00 0.00 C ATOM 898 NE ARG A 58 -0.889 -12.787 9.821 1.00 0.00 N ATOM 899 CZ ARG A 58 -1.641 -13.192 10.845 1.00 0.00 C ATOM 900 NH1 ARG A 58 -2.951 -13.357 10.682 1.00 0.00 N ATOM 901 NH2 ARG A 58 -1.090 -13.424 12.030 1.00 0.00 N ATOM 0 H ARG A 58 -2.074 -10.156 4.384 1.00 0.00 H new ATOM 0 HA ARG A 58 0.244 -9.755 5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.008 -10.683 6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.542 -12.221 5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.424 -12.292 7.416 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.149 -10.810 8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.361 -11.963 8.593 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.653 -13.450 7.995 1.00 0.00 H new ATOM 0 HE ARG A 58 0.112 -12.666 9.975 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.379 -13.174 9.774 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.527 -13.667 11.465 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.087 -13.293 12.161 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.670 -13.734 12.810 1.00 0.00 H new ATOM 915 N ASP A 59 0.341 -12.580 4.103 1.00 0.00 N ATOM 916 CA ASP A 59 1.208 -13.618 3.562 1.00 0.00 C ATOM 917 C ASP A 59 2.239 -13.040 2.603 1.00 0.00 C ATOM 918 O ASP A 59 3.434 -13.296 2.717 1.00 0.00 O ATOM 919 CB ASP A 59 0.365 -14.651 2.820 1.00 0.00 C ATOM 920 CG ASP A 59 1.192 -15.777 2.235 1.00 0.00 C ATOM 921 OD1 ASP A 59 1.618 -16.667 3.001 1.00 0.00 O ATOM 922 OD2 ASP A 59 1.405 -15.784 1.005 1.00 0.00 O ATOM 0 H ASP A 59 -0.649 -12.720 3.899 1.00 0.00 H new ATOM 0 HA ASP A 59 1.734 -14.083 4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.375 -15.068 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.184 -14.156 2.019 1.00 0.00 H new ATOM 927 N SER A 60 1.764 -12.231 1.681 1.00 0.00 N ATOM 928 CA SER A 60 2.589 -11.737 0.593 1.00 0.00 C ATOM 929 C SER A 60 3.618 -10.723 1.092 1.00 0.00 C ATOM 930 O SER A 60 4.699 -10.585 0.516 1.00 0.00 O ATOM 931 CB SER A 60 1.689 -11.134 -0.480 1.00 0.00 C ATOM 932 OG SER A 60 0.760 -12.099 -0.949 1.00 0.00 O ATOM 0 H SER A 60 0.800 -11.897 1.661 1.00 0.00 H new ATOM 0 HA SER A 60 3.149 -12.567 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.156 -10.274 -0.075 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.295 -10.771 -1.310 1.00 0.00 H new ATOM 0 HG SER A 60 -0.004 -12.143 -0.336 1.00 0.00 H new ATOM 938 N PHE A 61 3.290 -10.032 2.175 1.00 0.00 N ATOM 939 CA PHE A 61 4.231 -9.118 2.803 1.00 0.00 C ATOM 940 C PHE A 61 5.362 -9.905 3.447 1.00 0.00 C ATOM 941 O PHE A 61 6.507 -9.460 3.465 1.00 0.00 O ATOM 942 CB PHE A 61 3.532 -8.240 3.846 1.00 0.00 C ATOM 943 CG PHE A 61 2.777 -7.071 3.266 1.00 0.00 C ATOM 944 CD1 PHE A 61 2.338 -7.084 1.950 1.00 0.00 C ATOM 945 CD2 PHE A 61 2.503 -5.958 4.045 1.00 0.00 C ATOM 946 CE1 PHE A 61 1.643 -6.012 1.424 1.00 0.00 C ATOM 947 CE2 PHE A 61 1.808 -4.883 3.525 1.00 0.00 C ATOM 948 CZ PHE A 61 1.376 -4.911 2.212 1.00 0.00 C ATOM 0 H PHE A 61 2.381 -10.087 2.635 1.00 0.00 H new ATOM 0 HA PHE A 61 4.642 -8.463 2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.839 -8.857 4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.278 -7.865 4.547 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.542 -7.943 1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.837 -5.931 5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.309 -6.036 0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.602 -4.022 4.144 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.831 -4.073 1.804 1.00 0.00 H new ATOM 958 N GLN A 62 5.037 -11.092 3.952 1.00 0.00 N ATOM 959 CA GLN A 62 6.041 -11.979 4.509 1.00 0.00 C ATOM 960 C GLN A 62 7.040 -12.348 3.425 1.00 0.00 C ATOM 961 O GLN A 62 8.249 -12.325 3.644 1.00 0.00 O ATOM 962 CB GLN A 62 5.390 -13.246 5.068 1.00 0.00 C ATOM 963 CG GLN A 62 4.190 -12.985 5.962 1.00 0.00 C ATOM 964 CD GLN A 62 3.733 -14.223 6.710 1.00 0.00 C ATOM 965 OE1 GLN A 62 2.902 -14.990 6.221 1.00 0.00 O ATOM 966 NE2 GLN A 62 4.262 -14.421 7.907 1.00 0.00 N ATOM 0 H GLN A 62 4.085 -11.457 3.985 1.00 0.00 H new ATOM 0 HA GLN A 62 6.553 -11.467 5.324 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.079 -13.879 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.136 -13.805 5.633 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.441 -12.204 6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.366 -12.608 5.356 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.947 -13.762 8.277 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.984 -15.232 8.460 1.00 0.00 H new ATOM 975 N GLN A 63 6.516 -12.666 2.245 1.00 0.00 N ATOM 976 CA GLN A 63 7.334 -13.028 1.101 1.00 0.00 C ATOM 977 C GLN A 63 8.333 -11.939 0.730 1.00 0.00 C ATOM 978 O GLN A 63 9.494 -12.239 0.501 1.00 0.00 O ATOM 979 CB GLN A 63 6.444 -13.366 -0.093 1.00 0.00 C ATOM 980 CG GLN A 63 6.093 -14.843 -0.185 1.00 0.00 C ATOM 981 CD GLN A 63 5.661 -15.451 1.137 1.00 0.00 C ATOM 982 OE1 GLN A 63 6.493 -15.904 1.928 1.00 0.00 O ATOM 983 NE2 GLN A 63 4.366 -15.503 1.371 1.00 0.00 N ATOM 0 H GLN A 63 5.513 -12.679 2.059 1.00 0.00 H new ATOM 0 HA GLN A 63 7.914 -13.907 1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.524 -12.785 -0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.948 -13.062 -1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.292 -14.972 -0.913 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.957 -15.390 -0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.709 -15.117 0.692 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.020 -15.929 2.231 1.00 0.00 H new ATOM 992 N VAL A 64 7.908 -10.680 0.682 1.00 0.00 N ATOM 993 CA VAL A 64 8.826 -9.616 0.281 1.00 0.00 C ATOM 994 C VAL A 64 9.900 -9.382 1.344 1.00 0.00 C ATOM 995 O VAL A 64 11.027 -8.994 1.025 1.00 0.00 O ATOM 996 CB VAL A 64 8.117 -8.281 -0.058 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.564 -7.591 1.179 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.068 -7.354 -0.796 1.00 0.00 C ATOM 0 H VAL A 64 6.961 -10.375 0.909 1.00 0.00 H new ATOM 0 HA VAL A 64 9.295 -9.967 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 64 7.270 -8.519 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.077 -6.660 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.839 -8.243 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.379 -7.374 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.558 -6.419 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.935 -7.148 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.394 -7.829 -1.721 1.00 0.00 H new ATOM 1008 N VAL A 65 9.565 -9.637 2.605 1.00 0.00 N ATOM 1009 CA VAL A 65 10.537 -9.525 3.689 1.00 0.00 C ATOM 1010 C VAL A 65 11.510 -10.704 3.647 1.00 0.00 C ATOM 1011 O VAL A 65 12.624 -10.631 4.159 1.00 0.00 O ATOM 1012 CB VAL A 65 9.843 -9.462 5.074 1.00 0.00 C ATOM 1013 CG1 VAL A 65 10.863 -9.374 6.203 1.00 0.00 C ATOM 1014 CG2 VAL A 65 8.893 -8.278 5.139 1.00 0.00 C ATOM 0 H VAL A 65 8.631 -9.922 2.902 1.00 0.00 H new ATOM 0 HA VAL A 65 11.087 -8.595 3.547 1.00 0.00 H new ATOM 0 HB VAL A 65 9.274 -10.383 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.343 -9.331 7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.509 -10.252 6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.468 -8.476 6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.414 -8.249 6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.451 -7.355 4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.132 -8.380 4.366 1.00 0.00 H new ATOM 1024 N LYS A 66 11.071 -11.790 3.029 1.00 0.00 N ATOM 1025 CA LYS A 66 11.907 -12.969 2.859 1.00 0.00 C ATOM 1026 C LYS A 66 12.666 -12.927 1.529 1.00 0.00 C ATOM 1027 O LYS A 66 13.710 -13.561 1.382 1.00 0.00 O ATOM 1028 CB LYS A 66 11.053 -14.232 2.968 1.00 0.00 C ATOM 1029 CG LYS A 66 10.450 -14.402 4.349 1.00 0.00 C ATOM 1030 CD LYS A 66 9.608 -15.656 4.463 1.00 0.00 C ATOM 1031 CE LYS A 66 9.059 -15.812 5.870 1.00 0.00 C ATOM 1032 NZ LYS A 66 10.138 -15.775 6.894 1.00 0.00 N ATOM 0 H LYS A 66 10.135 -11.879 2.635 1.00 0.00 H new ATOM 0 HA LYS A 66 12.653 -12.982 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.254 -14.193 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.664 -15.103 2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.249 -14.436 5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.835 -13.533 4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.785 -15.613 3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.209 -16.528 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.341 -15.016 6.070 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.518 -16.755 5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.785 -16.180 7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.952 -16.329 6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.432 -14.790 7.054 1.00 0.00 H new ATOM 1046 N LEU A 67 12.128 -12.193 0.562 1.00 0.00 N ATOM 1047 CA LEU A 67 12.811 -11.978 -0.709 1.00 0.00 C ATOM 1048 C LEU A 67 13.904 -10.932 -0.555 1.00 0.00 C ATOM 1049 O LEU A 67 15.000 -11.095 -1.084 1.00 0.00 O ATOM 1050 CB LEU A 67 11.825 -11.549 -1.803 1.00 0.00 C ATOM 1051 CG LEU A 67 10.846 -12.631 -2.256 1.00 0.00 C ATOM 1052 CD1 LEU A 67 10.089 -12.167 -3.485 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.575 -13.937 -2.539 1.00 0.00 C ATOM 0 H LEU A 67 11.219 -11.736 0.634 1.00 0.00 H new ATOM 0 HA LEU A 67 13.263 -12.924 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.255 -10.694 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.393 -11.210 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 67 10.133 -12.811 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.394 -12.945 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.534 -11.259 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.794 -11.963 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.857 -14.692 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.312 -13.779 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.078 -14.276 -1.634 1.00 0.00 H new ATOM 1065 N LYS A 68 13.585 -9.874 0.180 1.00 0.00 N ATOM 1066 CA LYS A 68 14.545 -8.825 0.523 1.00 0.00 C ATOM 1067 C LYS A 68 15.173 -8.168 -0.700 1.00 0.00 C ATOM 1068 O LYS A 68 16.138 -8.667 -1.278 1.00 0.00 O ATOM 1069 CB LYS A 68 15.628 -9.377 1.439 1.00 0.00 C ATOM 1070 CG LYS A 68 15.095 -9.741 2.802 1.00 0.00 C ATOM 1071 CD LYS A 68 16.183 -10.216 3.738 1.00 0.00 C ATOM 1072 CE LYS A 68 15.649 -10.315 5.151 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.667 -10.831 6.102 1.00 0.00 N ATOM 0 H LYS A 68 12.651 -9.716 0.558 1.00 0.00 H new ATOM 0 HA LYS A 68 13.985 -8.048 1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.075 -10.258 0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.421 -8.637 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.597 -8.875 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.342 -10.522 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.554 -11.188 3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.026 -9.526 3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.313 -9.332 5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.778 -10.970 5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.257 -10.882 7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.970 -11.780 5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.488 -10.193 6.112 1.00 0.00 H new ATOM 1087 N GLY A 69 14.619 -7.031 -1.073 1.00 0.00 N ATOM 1088 CA GLY A 69 15.169 -6.261 -2.165 1.00 0.00 C ATOM 1089 C GLY A 69 14.561 -6.640 -3.492 1.00 0.00 C ATOM 1090 O GLY A 69 14.968 -6.129 -4.536 1.00 0.00 O ATOM 0 H GLY A 69 13.792 -6.623 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.001 -5.200 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.248 -6.411 -2.206 1.00 0.00 H new ATOM 1094 N GLN A 70 13.598 -7.549 -3.460 1.00 0.00 N ATOM 1095 CA GLN A 70 12.906 -7.971 -4.661 1.00 0.00 C ATOM 1096 C GLN A 70 11.471 -7.473 -4.623 1.00 0.00 C ATOM 1097 O GLN A 70 10.847 -7.455 -3.560 1.00 0.00 O ATOM 1098 CB GLN A 70 12.922 -9.493 -4.769 1.00 0.00 C ATOM 1099 CG GLN A 70 14.317 -10.101 -4.764 1.00 0.00 C ATOM 1100 CD GLN A 70 15.124 -9.744 -6.000 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.092 -10.453 -7.002 1.00 0.00 O ATOM 1102 NE2 GLN A 70 15.854 -8.645 -5.935 1.00 0.00 N ATOM 0 H GLN A 70 13.279 -8.009 -2.607 1.00 0.00 H new ATOM 0 HA GLN A 70 13.412 -7.551 -5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.352 -9.911 -3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.412 -9.787 -5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.852 -9.762 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.235 -11.185 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.854 -8.082 -5.084 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.418 -8.359 -6.736 1.00 0.00 H new ATOM 1111 N VAL A 71 10.955 -7.061 -5.771 1.00 0.00 N ATOM 1112 CA VAL A 71 9.599 -6.543 -5.847 1.00 0.00 C ATOM 1113 C VAL A 71 8.579 -7.682 -5.821 1.00 0.00 C ATOM 1114 O VAL A 71 8.635 -8.612 -6.630 1.00 0.00 O ATOM 1115 CB VAL A 71 9.383 -5.651 -7.098 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.669 -6.416 -8.384 1.00 0.00 C ATOM 1117 CG2 VAL A 71 7.971 -5.074 -7.109 1.00 0.00 C ATOM 0 H VAL A 71 11.454 -7.075 -6.661 1.00 0.00 H new ATOM 0 HA VAL A 71 9.448 -5.916 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 71 10.091 -4.824 -7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.508 -5.761 -9.240 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.703 -6.760 -8.380 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.001 -7.275 -8.453 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.839 -4.451 -7.994 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.246 -5.887 -7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.818 -4.470 -6.215 1.00 0.00 H new ATOM 1127 N LEU A 72 7.667 -7.607 -4.867 1.00 0.00 N ATOM 1128 CA LEU A 72 6.629 -8.610 -4.706 1.00 0.00 C ATOM 1129 C LEU A 72 5.275 -7.972 -4.991 1.00 0.00 C ATOM 1130 O LEU A 72 4.826 -7.109 -4.245 1.00 0.00 O ATOM 1131 CB LEU A 72 6.678 -9.159 -3.269 1.00 0.00 C ATOM 1132 CG LEU A 72 6.109 -10.566 -3.051 1.00 0.00 C ATOM 1133 CD1 LEU A 72 4.603 -10.603 -3.262 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.808 -11.554 -3.967 1.00 0.00 C ATOM 0 H LEU A 72 7.625 -6.851 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 72 6.785 -9.434 -5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.717 -9.157 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.137 -8.469 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 72 6.295 -10.850 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.237 -11.617 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.120 -9.925 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.371 -10.294 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.399 -12.551 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.652 -11.261 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.876 -11.561 -3.748 1.00 0.00 H new ATOM 1146 N SER A 73 4.618 -8.393 -6.052 1.00 0.00 N ATOM 1147 CA SER A 73 3.358 -7.779 -6.438 1.00 0.00 C ATOM 1148 C SER A 73 2.184 -8.553 -5.854 1.00 0.00 C ATOM 1149 O SER A 73 2.018 -9.744 -6.118 1.00 0.00 O ATOM 1150 CB SER A 73 3.253 -7.717 -7.960 1.00 0.00 C ATOM 1151 OG SER A 73 4.341 -6.991 -8.512 1.00 0.00 O ATOM 0 H SER A 73 4.929 -9.151 -6.660 1.00 0.00 H new ATOM 0 HA SER A 73 3.327 -6.764 -6.041 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.239 -8.727 -8.369 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.313 -7.245 -8.245 1.00 0.00 H new ATOM 0 HG SER A 73 4.255 -6.965 -9.488 1.00 0.00 H new ATOM 1157 N VAL A 74 1.376 -7.870 -5.063 1.00 0.00 N ATOM 1158 CA VAL A 74 0.205 -8.474 -4.454 1.00 0.00 C ATOM 1159 C VAL A 74 -1.040 -7.721 -4.856 1.00 0.00 C ATOM 1160 O VAL A 74 -1.100 -6.494 -4.798 1.00 0.00 O ATOM 1161 CB VAL A 74 0.335 -8.545 -2.912 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.659 -7.180 -2.321 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.927 -9.116 -2.284 1.00 0.00 C ATOM 0 H VAL A 74 1.512 -6.887 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 74 0.127 -9.498 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 74 1.163 -9.215 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.744 -7.263 -1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.602 -6.820 -2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.137 -6.478 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.809 -9.155 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.777 -8.481 -2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.101 -10.122 -2.666 1.00 0.00 H new ATOM 1173 N MET A 75 -2.019 -8.472 -5.290 1.00 0.00 N ATOM 1174 CA MET A 75 -3.211 -7.895 -5.850 1.00 0.00 C ATOM 1175 C MET A 75 -4.416 -8.215 -4.976 1.00 0.00 C ATOM 1176 O MET A 75 -4.692 -9.376 -4.678 1.00 0.00 O ATOM 1177 CB MET A 75 -3.408 -8.411 -7.267 1.00 0.00 C ATOM 1178 CG MET A 75 -4.414 -7.602 -8.040 1.00 0.00 C ATOM 1179 SD MET A 75 -4.775 -8.288 -9.669 1.00 0.00 S ATOM 1180 CE MET A 75 -6.003 -7.125 -10.258 1.00 0.00 C ATOM 0 H MET A 75 -2.012 -9.492 -5.265 1.00 0.00 H new ATOM 0 HA MET A 75 -3.106 -6.811 -5.886 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.453 -8.395 -7.792 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.734 -9.450 -7.230 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.339 -7.539 -7.466 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.041 -6.584 -8.156 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.679 -7.628 -10.949 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.571 -6.737 -9.413 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.507 -6.301 -10.771 1.00 0.00 H new ATOM 1190 N PHE A 76 -5.130 -7.174 -4.584 1.00 0.00 N ATOM 1191 CA PHE A 76 -6.209 -7.299 -3.614 1.00 0.00 C ATOM 1192 C PHE A 76 -7.216 -6.172 -3.804 1.00 0.00 C ATOM 1193 O PHE A 76 -7.045 -5.318 -4.678 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.637 -7.253 -2.195 1.00 0.00 C ATOM 1195 CG PHE A 76 -5.005 -5.937 -1.847 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.788 -5.571 -2.398 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.627 -5.065 -0.970 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -3.207 -4.363 -2.082 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -5.050 -3.855 -0.650 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.837 -3.503 -1.206 1.00 0.00 C ATOM 0 H PHE A 76 -4.981 -6.224 -4.925 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.714 -8.253 -3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.435 -7.463 -1.483 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.895 -8.044 -2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.289 -6.240 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.576 -5.336 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.259 -4.089 -2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.546 -3.183 0.035 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.382 -2.556 -0.956 1.00 0.00 H new ATOM 1210 N ARG A 77 -8.264 -6.171 -2.995 1.00 0.00 N ATOM 1211 CA ARG A 77 -9.260 -5.114 -3.050 1.00 0.00 C ATOM 1212 C ARG A 77 -8.992 -4.083 -1.949 1.00 0.00 C ATOM 1213 O ARG A 77 -9.177 -4.365 -0.761 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.669 -5.694 -2.917 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.958 -6.824 -3.894 1.00 0.00 C ATOM 1216 CD ARG A 77 -12.407 -7.275 -3.815 1.00 0.00 C ATOM 1217 NE ARG A 77 -12.611 -8.580 -4.446 1.00 0.00 N ATOM 1218 CZ ARG A 77 -13.681 -8.914 -5.167 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -14.630 -8.024 -5.424 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -13.792 -10.146 -5.647 1.00 0.00 N ATOM 0 H ARG A 77 -8.446 -6.889 -2.294 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.190 -4.617 -4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.807 -6.060 -1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -11.397 -4.897 -3.071 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.734 -6.495 -4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.302 -7.668 -3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.714 -7.326 -2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -13.044 -6.535 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.883 -9.284 -4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -14.546 -7.072 -5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.444 -8.292 -5.977 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.060 -10.833 -5.464 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.609 -10.406 -6.199 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.557 -2.894 -2.357 1.00 0.00 N ATOM 1235 CA PHE A 78 -8.176 -1.833 -1.427 1.00 0.00 C ATOM 1236 C PHE A 78 -9.407 -1.033 -1.030 1.00 0.00 C ATOM 1237 O PHE A 78 -10.169 -0.589 -1.891 1.00 0.00 O ATOM 1238 CB PHE A 78 -7.148 -0.905 -2.091 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.346 -0.039 -1.146 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.917 1.047 -0.492 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -5.002 -0.301 -0.938 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -6.158 1.846 0.346 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -4.244 0.491 -0.100 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.820 1.567 0.540 1.00 0.00 C ATOM 0 H PHE A 78 -8.459 -2.638 -3.340 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.734 -2.279 -0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.456 -1.515 -2.672 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.671 -0.257 -2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.964 1.270 -0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.540 -1.138 -1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.613 2.687 0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.199 0.268 0.054 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.226 2.191 1.192 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.599 -0.853 0.264 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.731 -0.106 0.777 1.00 0.00 C ATOM 1256 C ARG A 79 -10.431 1.393 0.778 1.00 0.00 C ATOM 1257 O ARG A 79 -9.761 1.904 1.670 1.00 0.00 O ATOM 1258 CB ARG A 79 -11.097 -0.608 2.181 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.148 0.233 2.889 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.715 -0.494 4.097 1.00 0.00 C ATOM 1261 NE ARG A 79 -11.825 -0.480 5.256 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.261 -0.504 6.518 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -13.563 -0.490 6.780 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.401 -0.548 7.524 1.00 0.00 N ATOM 0 H ARG A 79 -8.977 -1.219 0.985 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.589 -0.267 0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.459 -1.633 2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.195 -0.633 2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.708 1.179 3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.954 0.472 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.665 -0.037 4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.926 -1.528 3.823 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.819 -0.450 5.093 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.237 -0.461 6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.889 -0.509 7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.398 -0.564 7.337 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.741 -0.566 8.485 1.00 0.00 H new ATOM 1278 N SER A 80 -10.913 2.064 -0.264 1.00 0.00 N ATOM 1279 CA SER A 80 -10.765 3.502 -0.436 1.00 0.00 C ATOM 1280 C SER A 80 -11.446 4.283 0.699 1.00 0.00 C ATOM 1281 O SER A 80 -12.151 3.704 1.530 1.00 0.00 O ATOM 1282 CB SER A 80 -11.371 3.891 -1.791 1.00 0.00 C ATOM 1283 OG SER A 80 -11.294 5.285 -2.034 1.00 0.00 O ATOM 0 H SER A 80 -11.425 1.615 -1.023 1.00 0.00 H new ATOM 0 HA SER A 80 -9.706 3.757 -0.406 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.851 3.357 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 80 -12.414 3.576 -1.824 1.00 0.00 H new ATOM 0 HG SER A 80 -11.690 5.487 -2.908 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.263 5.606 0.698 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.833 6.487 1.719 1.00 0.00 C ATOM 1291 C LYS A 81 -13.361 6.425 1.710 1.00 0.00 C ATOM 1292 O LYS A 81 -14.021 6.842 2.662 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.380 7.934 1.479 1.00 0.00 C ATOM 1294 CG LYS A 81 -11.712 8.881 2.628 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.110 8.403 3.941 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.611 9.220 5.121 1.00 0.00 C ATOM 1297 NZ LYS A 81 -11.039 8.752 6.413 1.00 0.00 N ATOM 0 H LYS A 81 -10.716 6.096 -0.010 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.477 6.147 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.303 7.945 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.848 8.305 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.338 9.878 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.794 8.963 2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.359 7.353 4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.023 8.469 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.353 10.268 4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.699 9.162 5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.671 9.026 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.941 7.717 6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.105 9.186 6.556 1.00 0.00 H new ATOM 1311 N ASN A 82 -13.910 5.873 0.640 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.353 5.799 0.460 1.00 0.00 C ATOM 1313 C ASN A 82 -15.858 4.447 0.928 1.00 0.00 C ATOM 1314 O ASN A 82 -17.047 4.143 0.811 1.00 0.00 O ATOM 1315 CB ASN A 82 -15.708 5.977 -1.014 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.078 7.204 -1.635 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -14.985 8.259 -1.006 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.601 7.057 -2.857 1.00 0.00 N ATOM 0 H ASN A 82 -13.372 5.465 -0.125 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.819 6.592 1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.389 5.093 -1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -16.791 6.042 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.132 7.836 -3.319 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.701 6.164 -3.340 1.00 0.00 H new ATOM 1325 N GLN A 83 -14.931 3.640 1.450 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.210 2.275 1.869 1.00 0.00 C ATOM 1327 C GLN A 83 -15.526 1.406 0.658 1.00 0.00 C ATOM 1328 O GLN A 83 -16.292 0.449 0.737 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.337 2.219 2.905 1.00 0.00 C ATOM 1330 CG GLN A 83 -15.912 2.664 4.303 1.00 0.00 C ATOM 1331 CD GLN A 83 -15.511 4.127 4.375 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -16.349 5.002 4.589 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.219 4.399 4.237 1.00 0.00 N ATOM 0 H GLN A 83 -13.961 3.922 1.592 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.316 1.881 2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.160 2.849 2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -16.718 1.199 2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -16.732 2.485 4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.075 2.049 4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.555 3.645 4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -13.890 5.362 4.308 1.00 0.00 H new ATOM 1342 N GLU A 84 -14.906 1.753 -0.461 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.029 0.996 -1.691 1.00 0.00 C ATOM 1344 C GLU A 84 -13.799 0.138 -1.862 1.00 0.00 C ATOM 1345 O GLU A 84 -12.685 0.628 -1.732 1.00 0.00 O ATOM 1346 CB GLU A 84 -15.144 1.938 -2.880 1.00 0.00 C ATOM 1347 CG GLU A 84 -16.368 2.823 -2.853 1.00 0.00 C ATOM 1348 CD GLU A 84 -16.346 3.858 -3.957 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -15.438 4.716 -3.956 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -17.225 3.813 -4.841 1.00 0.00 O ATOM 0 H GLU A 84 -14.302 2.571 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.923 0.374 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.255 2.568 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.156 1.348 -3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.262 2.208 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.431 3.325 -1.887 1.00 0.00 H new ATOM 1357 N TRP A 85 -13.985 -1.128 -2.172 1.00 0.00 N ATOM 1358 CA TRP A 85 -12.872 -2.063 -2.167 1.00 0.00 C ATOM 1359 C TRP A 85 -12.504 -2.441 -3.598 1.00 0.00 C ATOM 1360 O TRP A 85 -12.907 -3.487 -4.093 1.00 0.00 O ATOM 1361 CB TRP A 85 -13.226 -3.311 -1.345 1.00 0.00 C ATOM 1362 CG TRP A 85 -13.761 -3.011 0.036 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -13.875 -1.793 0.637 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -14.255 -3.959 0.984 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -14.424 -1.931 1.887 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -14.659 -3.247 2.123 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -14.399 -5.334 0.976 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -15.197 -3.867 3.242 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -14.933 -5.958 2.088 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -15.328 -5.220 3.207 1.00 0.00 C ATOM 0 H TRP A 85 -14.885 -1.533 -2.429 1.00 0.00 H new ATOM 0 HA TRP A 85 -12.009 -1.586 -1.702 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -13.968 -3.894 -1.891 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.337 -3.935 -1.251 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.576 -0.855 0.193 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -14.623 -1.168 2.534 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -14.099 -5.912 0.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -15.500 -3.297 4.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -15.047 -7.032 2.092 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -15.745 -5.734 4.060 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.732 -1.576 -4.245 1.00 0.00 N ATOM 1382 CA LEU A 86 -11.412 -1.716 -5.665 1.00 0.00 C ATOM 1383 C LEU A 86 -10.174 -2.579 -5.888 1.00 0.00 C ATOM 1384 O LEU A 86 -9.463 -2.912 -4.950 1.00 0.00 O ATOM 1385 CB LEU A 86 -11.221 -0.330 -6.294 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.494 0.711 -5.423 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.013 0.390 -5.286 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.683 2.106 -5.996 1.00 0.00 C ATOM 0 H LEU A 86 -11.310 -0.759 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.248 -2.221 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.665 -0.448 -7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.202 0.066 -6.557 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.934 0.675 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.533 1.146 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.894 -0.589 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.549 0.383 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.163 2.830 -5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.276 2.143 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.746 2.347 -6.024 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.910 -2.911 -7.145 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.803 -3.798 -7.483 1.00 0.00 C ATOM 1402 C TRP A 87 -7.495 -3.026 -7.592 1.00 0.00 C ATOM 1403 O TRP A 87 -7.260 -2.291 -8.553 1.00 0.00 O ATOM 1404 CB TRP A 87 -9.079 -4.559 -8.779 1.00 0.00 C ATOM 1405 CG TRP A 87 -10.034 -5.697 -8.600 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.353 -5.732 -8.954 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.739 -6.967 -8.011 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.895 -6.951 -8.622 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -10.923 -7.727 -8.045 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.584 -7.539 -7.464 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -10.986 -9.025 -7.547 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.649 -8.827 -6.972 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -9.843 -9.559 -7.017 1.00 0.00 C ATOM 0 H TRP A 87 -10.446 -2.580 -7.947 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.708 -4.523 -6.675 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.481 -3.868 -9.520 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.139 -4.941 -9.176 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.890 -4.922 -9.425 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.863 -7.232 -8.779 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.659 -6.983 -7.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -11.905 -9.591 -7.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -7.765 -9.278 -6.545 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -9.862 -10.565 -6.625 1.00 0.00 H new ATOM 1424 N MET A 88 -6.652 -3.204 -6.595 1.00 0.00 N ATOM 1425 CA MET A 88 -5.392 -2.496 -6.506 1.00 0.00 C ATOM 1426 C MET A 88 -4.242 -3.483 -6.320 1.00 0.00 C ATOM 1427 O MET A 88 -4.362 -4.458 -5.576 1.00 0.00 O ATOM 1428 CB MET A 88 -5.472 -1.497 -5.345 1.00 0.00 C ATOM 1429 CG MET A 88 -4.326 -1.566 -4.344 1.00 0.00 C ATOM 1430 SD MET A 88 -2.903 -0.584 -4.843 1.00 0.00 S ATOM 1431 CE MET A 88 -3.662 1.034 -4.942 1.00 0.00 C ATOM 0 H MET A 88 -6.823 -3.846 -5.821 1.00 0.00 H new ATOM 0 HA MET A 88 -5.201 -1.949 -7.429 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.512 -0.489 -5.757 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.408 -1.660 -4.811 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.678 -1.220 -3.372 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.020 -2.605 -4.221 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.891 1.788 -5.101 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.367 1.055 -5.773 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.190 1.246 -4.012 1.00 0.00 H new ATOM 1441 N ARG A 89 -3.141 -3.246 -7.016 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.970 -4.093 -6.880 1.00 0.00 C ATOM 1443 C ARG A 89 -0.852 -3.328 -6.195 1.00 0.00 C ATOM 1444 O ARG A 89 -0.392 -2.298 -6.690 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.491 -4.592 -8.242 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.346 -5.588 -8.155 1.00 0.00 C ATOM 1447 CD ARG A 89 0.209 -5.912 -9.532 1.00 0.00 C ATOM 1448 NE ARG A 89 0.849 -4.753 -10.154 1.00 0.00 N ATOM 1449 CZ ARG A 89 0.509 -4.268 -11.349 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -0.491 -4.814 -12.034 1.00 0.00 N ATOM 1451 NH2 ARG A 89 1.173 -3.233 -11.850 1.00 0.00 N ATOM 0 H ARG A 89 -3.035 -2.477 -7.678 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.246 -4.956 -6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.327 -5.057 -8.764 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.175 -3.739 -8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.447 -5.180 -7.528 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.693 -6.503 -7.676 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.932 -6.724 -9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.598 -6.268 -10.173 1.00 0.00 H new ATOM 0 HE ARG A 89 1.600 -4.288 -9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.002 -5.607 -11.646 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.748 -4.440 -12.948 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.938 -2.814 -11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.918 -2.857 -12.763 1.00 0.00 H new ATOM 1465 N THR A 90 -0.434 -3.827 -5.052 1.00 0.00 N ATOM 1466 CA THR A 90 0.652 -3.230 -4.311 1.00 0.00 C ATOM 1467 C THR A 90 1.974 -3.914 -4.646 1.00 0.00 C ATOM 1468 O THR A 90 2.108 -5.133 -4.520 1.00 0.00 O ATOM 1469 CB THR A 90 0.379 -3.315 -2.798 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.824 -2.599 -2.494 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.532 -2.742 -1.986 1.00 0.00 C ATOM 0 H THR A 90 -0.837 -4.655 -4.613 1.00 0.00 H new ATOM 0 HA THR A 90 0.724 -2.181 -4.597 1.00 0.00 H new ATOM 0 HB THR A 90 0.272 -4.366 -2.531 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.623 -1.644 -2.408 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.303 -2.820 -0.923 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.442 -3.301 -2.202 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.678 -1.695 -2.250 1.00 0.00 H new ATOM 1479 N SER A 91 2.930 -3.129 -5.100 1.00 0.00 N ATOM 1480 CA SER A 91 4.254 -3.634 -5.395 1.00 0.00 C ATOM 1481 C SER A 91 5.130 -3.480 -4.159 1.00 0.00 C ATOM 1482 O SER A 91 5.398 -2.363 -3.713 1.00 0.00 O ATOM 1483 CB SER A 91 4.849 -2.874 -6.581 1.00 0.00 C ATOM 1484 OG SER A 91 3.918 -2.797 -7.651 1.00 0.00 O ATOM 0 H SER A 91 2.812 -2.131 -5.274 1.00 0.00 H new ATOM 0 HA SER A 91 4.199 -4.689 -5.662 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.134 -1.869 -6.268 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.757 -3.373 -6.919 1.00 0.00 H new ATOM 0 HG SER A 91 4.318 -2.305 -8.398 1.00 0.00 H new ATOM 1490 N SER A 92 5.558 -4.598 -3.603 1.00 0.00 N ATOM 1491 CA SER A 92 6.284 -4.599 -2.350 1.00 0.00 C ATOM 1492 C SER A 92 7.782 -4.609 -2.598 1.00 0.00 C ATOM 1493 O SER A 92 8.300 -5.483 -3.285 1.00 0.00 O ATOM 1494 CB SER A 92 5.901 -5.824 -1.516 1.00 0.00 C ATOM 1495 OG SER A 92 4.499 -6.044 -1.549 1.00 0.00 O ATOM 0 H SER A 92 5.413 -5.524 -4.005 1.00 0.00 H new ATOM 0 HA SER A 92 6.020 -3.692 -1.806 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.420 -6.704 -1.896 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.226 -5.683 -0.485 1.00 0.00 H new ATOM 0 HG SER A 92 4.252 -6.450 -2.406 1.00 0.00 H new ATOM 1501 N PHE A 93 8.461 -3.621 -2.060 1.00 0.00 N ATOM 1502 CA PHE A 93 9.908 -3.604 -2.051 1.00 0.00 C ATOM 1503 C PHE A 93 10.383 -3.516 -0.615 1.00 0.00 C ATOM 1504 O PHE A 93 9.860 -2.731 0.160 1.00 0.00 O ATOM 1505 CB PHE A 93 10.420 -2.405 -2.853 1.00 0.00 C ATOM 1506 CG PHE A 93 11.898 -2.148 -2.706 1.00 0.00 C ATOM 1507 CD1 PHE A 93 12.813 -2.795 -3.518 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.368 -1.265 -1.743 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.169 -2.565 -3.376 1.00 0.00 C ATOM 1510 CE2 PHE A 93 13.722 -1.033 -1.595 1.00 0.00 C ATOM 1511 CZ PHE A 93 14.623 -1.684 -2.413 1.00 0.00 C ATOM 0 H PHE A 93 8.029 -2.810 -1.618 1.00 0.00 H new ATOM 0 HA PHE A 93 10.294 -4.514 -2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.194 -2.564 -3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.875 -1.514 -2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.464 -3.487 -4.270 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.666 -0.753 -1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 93 14.873 -3.074 -4.018 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.074 -0.344 -0.841 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.682 -1.505 -2.301 1.00 0.00 H new ATOM 1521 N THR A 94 11.356 -4.312 -0.247 1.00 0.00 N ATOM 1522 CA THR A 94 11.915 -4.220 1.082 1.00 0.00 C ATOM 1523 C THR A 94 13.251 -3.499 1.037 1.00 0.00 C ATOM 1524 O THR A 94 14.213 -3.993 0.448 1.00 0.00 O ATOM 1525 CB THR A 94 12.063 -5.603 1.721 1.00 0.00 C ATOM 1526 OG1 THR A 94 12.375 -6.581 0.716 1.00 0.00 O ATOM 1527 CG2 THR A 94 10.787 -5.996 2.449 1.00 0.00 C ATOM 0 H THR A 94 11.776 -5.026 -0.842 1.00 0.00 H new ATOM 0 HA THR A 94 11.227 -3.645 1.703 1.00 0.00 H new ATOM 0 HB THR A 94 12.877 -5.563 2.444 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.855 -7.396 0.880 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.912 -6.982 2.896 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.575 -5.267 3.231 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.958 -6.021 1.742 1.00 0.00 H new ATOM 1535 N PHE A 95 13.297 -2.319 1.642 1.00 0.00 N ATOM 1536 CA PHE A 95 14.461 -1.459 1.530 1.00 0.00 C ATOM 1537 C PHE A 95 15.599 -1.961 2.399 1.00 0.00 C ATOM 1538 O PHE A 95 15.652 -1.692 3.603 1.00 0.00 O ATOM 1539 CB PHE A 95 14.113 -0.012 1.891 1.00 0.00 C ATOM 1540 CG PHE A 95 15.161 0.980 1.461 1.00 0.00 C ATOM 1541 CD1 PHE A 95 16.241 1.275 2.276 1.00 0.00 C ATOM 1542 CD2 PHE A 95 15.063 1.615 0.234 1.00 0.00 C ATOM 1543 CE1 PHE A 95 17.203 2.182 1.877 1.00 0.00 C ATOM 1544 CE2 PHE A 95 16.021 2.522 -0.171 1.00 0.00 C ATOM 1545 CZ PHE A 95 17.092 2.808 0.652 1.00 0.00 C ATOM 0 H PHE A 95 12.542 -1.939 2.213 1.00 0.00 H new ATOM 0 HA PHE A 95 14.789 -1.484 0.491 1.00 0.00 H new ATOM 0 HB2 PHE A 95 13.162 0.252 1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 95 13.974 0.062 2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 95 16.332 0.789 3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 95 14.227 1.398 -0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 95 18.041 2.401 2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 95 15.933 3.008 -1.131 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.841 3.520 0.338 1.00 0.00 H new ATOM 1555 N GLN A 96 16.482 -2.727 1.780 1.00 0.00 N ATOM 1556 CA GLN A 96 17.736 -3.091 2.400 1.00 0.00 C ATOM 1557 C GLN A 96 18.688 -1.916 2.328 1.00 0.00 C ATOM 1558 O GLN A 96 18.969 -1.404 1.240 1.00 0.00 O ATOM 1559 CB GLN A 96 18.361 -4.311 1.718 1.00 0.00 C ATOM 1560 CG GLN A 96 17.750 -5.635 2.139 1.00 0.00 C ATOM 1561 CD GLN A 96 18.387 -6.820 1.440 1.00 0.00 C ATOM 1562 OE1 GLN A 96 18.482 -7.936 2.142 1.00 0.00 O flip ATOM 1563 NE2 GLN A 96 18.821 -6.723 0.290 1.00 0.00 N flip ATOM 0 H GLN A 96 16.348 -3.108 0.844 1.00 0.00 H new ATOM 0 HA GLN A 96 17.545 -3.352 3.441 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.259 -4.203 0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.429 -4.329 1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.857 -5.754 3.217 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.681 -5.622 1.924 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.728 -5.843 -0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.273 -7.522 -0.154 1.00 0.00 H new ATOM 1572 N ASN A 97 19.137 -1.466 3.490 1.00 0.00 N ATOM 1573 CA ASN A 97 20.138 -0.413 3.575 1.00 0.00 C ATOM 1574 C ASN A 97 21.349 -0.814 2.744 1.00 0.00 C ATOM 1575 O ASN A 97 21.997 -1.819 3.035 1.00 0.00 O ATOM 1576 CB ASN A 97 20.533 -0.180 5.041 1.00 0.00 C ATOM 1577 CG ASN A 97 21.533 0.953 5.239 1.00 0.00 C ATOM 1578 OD1 ASN A 97 22.411 1.195 4.409 1.00 0.00 O ATOM 1579 ND2 ASN A 97 21.393 1.666 6.345 1.00 0.00 N ATOM 0 H ASN A 97 18.821 -1.817 4.394 1.00 0.00 H new ATOM 0 HA ASN A 97 19.731 0.519 3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 97 19.635 0.036 5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 97 20.957 -1.100 5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 97 22.024 2.445 6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 97 20.654 1.436 7.010 1.00 0.00 H new ATOM 1586 N PRO A 98 21.657 -0.035 1.696 1.00 0.00 N ATOM 1587 CA PRO A 98 22.717 -0.363 0.730 1.00 0.00 C ATOM 1588 C PRO A 98 24.087 -0.576 1.372 1.00 0.00 C ATOM 1589 O PRO A 98 24.998 -1.102 0.737 1.00 0.00 O ATOM 1590 CB PRO A 98 22.757 0.857 -0.202 1.00 0.00 C ATOM 1591 CG PRO A 98 21.996 1.930 0.502 1.00 0.00 C ATOM 1592 CD PRO A 98 20.982 1.228 1.354 1.00 0.00 C ATOM 0 HA PRO A 98 22.500 -1.305 0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 98 23.784 1.168 -0.395 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.306 0.627 -1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.660 2.543 1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.512 2.597 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 98 20.732 1.806 2.244 1.00 0.00 H new ATOM 0 HD3 PRO A 98 20.051 1.055 0.814 1.00 0.00 H new ATOM 1600 N TYR A 99 24.228 -0.173 2.627 1.00 0.00 N ATOM 1601 CA TYR A 99 25.499 -0.284 3.322 1.00 0.00 C ATOM 1602 C TYR A 99 25.378 -1.166 4.565 1.00 0.00 C ATOM 1603 O TYR A 99 26.337 -1.303 5.326 1.00 0.00 O ATOM 1604 CB TYR A 99 25.992 1.107 3.729 1.00 0.00 C ATOM 1605 CG TYR A 99 26.025 2.108 2.591 1.00 0.00 C ATOM 1606 CD1 TYR A 99 27.152 2.250 1.790 1.00 0.00 C ATOM 1607 CD2 TYR A 99 24.925 2.918 2.322 1.00 0.00 C ATOM 1608 CE1 TYR A 99 27.180 3.165 0.752 1.00 0.00 C ATOM 1609 CE2 TYR A 99 24.946 3.834 1.289 1.00 0.00 C ATOM 1610 CZ TYR A 99 26.075 3.956 0.506 1.00 0.00 C ATOM 1611 OH TYR A 99 26.098 4.873 -0.523 1.00 0.00 O ATOM 0 H TYR A 99 23.476 0.234 3.184 1.00 0.00 H new ATOM 0 HA TYR A 99 26.215 -0.746 2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 99 25.348 1.492 4.519 1.00 0.00 H new ATOM 0 HB3 TYR A 99 26.994 1.017 4.149 1.00 0.00 H new ATOM 0 HD1 TYR A 99 28.020 1.636 1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 99 24.039 2.828 2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 99 28.063 3.260 0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 99 24.082 4.452 1.095 1.00 0.00 H new ATOM 0 HH TYR A 99 25.240 5.346 -0.559 1.00 0.00 H new ATOM 1621 N SER A 100 24.210 -1.771 4.778 1.00 0.00 N ATOM 1622 CA SER A 100 23.979 -2.547 5.997 1.00 0.00 C ATOM 1623 C SER A 100 23.202 -3.848 5.735 1.00 0.00 C ATOM 1624 O SER A 100 23.203 -4.748 6.577 1.00 0.00 O ATOM 1625 CB SER A 100 23.239 -1.691 7.031 1.00 0.00 C ATOM 1626 OG SER A 100 23.951 -0.494 7.311 1.00 0.00 O ATOM 0 H SER A 100 23.420 -1.741 4.134 1.00 0.00 H new ATOM 0 HA SER A 100 24.957 -2.833 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 100 22.244 -1.447 6.660 1.00 0.00 H new ATOM 0 HB3 SER A 100 23.105 -2.261 7.950 1.00 0.00 H new ATOM 0 HG SER A 100 23.456 0.034 7.972 1.00 0.00 H new ATOM 1632 N ASP A 101 22.543 -3.942 4.574 1.00 0.00 N ATOM 1633 CA ASP A 101 21.761 -5.132 4.182 1.00 0.00 C ATOM 1634 C ASP A 101 20.551 -5.366 5.090 1.00 0.00 C ATOM 1635 O ASP A 101 19.874 -6.392 4.982 1.00 0.00 O ATOM 1636 CB ASP A 101 22.629 -6.397 4.162 1.00 0.00 C ATOM 1637 CG ASP A 101 23.600 -6.437 3.000 1.00 0.00 C ATOM 1638 OD1 ASP A 101 24.709 -5.884 3.128 1.00 0.00 O ATOM 1639 OD2 ASP A 101 23.260 -7.041 1.957 1.00 0.00 O ATOM 0 H ASP A 101 22.534 -3.198 3.876 1.00 0.00 H new ATOM 0 HA ASP A 101 21.398 -4.928 3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 101 23.187 -6.461 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 101 21.982 -7.273 4.117 1.00 0.00 H new ATOM 1644 N GLU A 102 20.273 -4.420 5.974 1.00 0.00 N ATOM 1645 CA GLU A 102 19.140 -4.528 6.882 1.00 0.00 C ATOM 1646 C GLU A 102 17.890 -3.971 6.221 1.00 0.00 C ATOM 1647 O GLU A 102 17.984 -3.157 5.307 1.00 0.00 O ATOM 1648 CB GLU A 102 19.421 -3.749 8.167 1.00 0.00 C ATOM 1649 CG GLU A 102 19.695 -2.276 7.919 1.00 0.00 C ATOM 1650 CD GLU A 102 19.923 -1.493 9.189 1.00 0.00 C ATOM 1651 OE1 GLU A 102 20.990 -1.668 9.815 1.00 0.00 O ATOM 1652 OE2 GLU A 102 19.037 -0.701 9.567 1.00 0.00 O ATOM 0 H GLU A 102 20.819 -3.565 6.082 1.00 0.00 H new ATOM 0 HA GLU A 102 18.986 -5.580 7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.568 -3.846 8.838 1.00 0.00 H new ATOM 0 HB3 GLU A 102 20.278 -4.192 8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 102 20.571 -2.179 7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 102 18.854 -1.842 7.378 1.00 0.00 H new ATOM 1659 N ILE A 103 16.723 -4.387 6.688 1.00 0.00 N ATOM 1660 CA ILE A 103 15.478 -3.848 6.171 1.00 0.00 C ATOM 1661 C ILE A 103 14.890 -2.868 7.159 1.00 0.00 C ATOM 1662 O ILE A 103 14.460 -3.238 8.253 1.00 0.00 O ATOM 1663 CB ILE A 103 14.445 -4.940 5.842 1.00 0.00 C ATOM 1664 CG1 ILE A 103 14.910 -5.728 4.628 1.00 0.00 C ATOM 1665 CG2 ILE A 103 13.068 -4.330 5.588 1.00 0.00 C ATOM 1666 CD1 ILE A 103 13.958 -6.824 4.228 1.00 0.00 C ATOM 0 H ILE A 103 16.613 -5.091 7.418 1.00 0.00 H new ATOM 0 HA ILE A 103 15.716 -3.341 5.236 1.00 0.00 H new ATOM 0 HB ILE A 103 14.359 -5.612 6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.040 -5.045 3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 103 15.887 -6.164 4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.356 -5.122 5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.738 -3.793 6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.126 -3.639 4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.350 -7.346 3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.847 -7.528 5.053 1.00 0.00 H new ATOM 0 HD13 ILE A 103 12.987 -6.392 3.986 1.00 0.00 H new ATOM 1678 N GLU A 104 14.903 -1.619 6.765 1.00 0.00 N ATOM 1679 CA GLU A 104 14.399 -0.553 7.598 1.00 0.00 C ATOM 1680 C GLU A 104 12.897 -0.390 7.430 1.00 0.00 C ATOM 1681 O GLU A 104 12.181 -0.116 8.395 1.00 0.00 O ATOM 1682 CB GLU A 104 15.128 0.737 7.270 1.00 0.00 C ATOM 1683 CG GLU A 104 15.269 0.993 5.785 1.00 0.00 C ATOM 1684 CD GLU A 104 16.443 1.893 5.486 1.00 0.00 C ATOM 1685 OE1 GLU A 104 17.587 1.398 5.469 1.00 0.00 O ATOM 1686 OE2 GLU A 104 16.234 3.108 5.298 1.00 0.00 O ATOM 0 H GLU A 104 15.262 -1.312 5.861 1.00 0.00 H new ATOM 0 HA GLU A 104 14.582 -0.806 8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.595 1.572 7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.120 0.709 7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.394 0.045 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.354 1.448 5.405 1.00 0.00 H new ATOM 1693 N TYR A 105 12.431 -0.561 6.202 1.00 0.00 N ATOM 1694 CA TYR A 105 11.012 -0.435 5.897 1.00 0.00 C ATOM 1695 C TYR A 105 10.704 -0.980 4.509 1.00 0.00 C ATOM 1696 O TYR A 105 11.599 -1.412 3.779 1.00 0.00 O ATOM 1697 CB TYR A 105 10.558 1.034 5.997 1.00 0.00 C ATOM 1698 CG TYR A 105 11.376 2.012 5.172 1.00 0.00 C ATOM 1699 CD1 TYR A 105 11.199 2.122 3.799 1.00 0.00 C ATOM 1700 CD2 TYR A 105 12.321 2.833 5.774 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.943 3.013 3.050 1.00 0.00 C ATOM 1702 CE2 TYR A 105 13.066 3.729 5.034 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.875 3.815 3.673 1.00 0.00 C ATOM 1704 OH TYR A 105 13.618 4.707 2.929 1.00 0.00 O ATOM 0 H TYR A 105 13.016 -0.788 5.398 1.00 0.00 H new ATOM 0 HA TYR A 105 10.462 -1.022 6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.516 1.099 5.684 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.597 1.341 7.042 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.466 1.499 3.308 1.00 0.00 H new ATOM 0 HD2 TYR A 105 12.476 2.769 6.841 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.795 3.081 1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.795 4.360 5.520 1.00 0.00 H new ATOM 0 HH TYR A 105 14.228 5.197 3.519 1.00 0.00 H new ATOM 1714 N ILE A 106 9.429 -0.954 4.162 1.00 0.00 N ATOM 1715 CA ILE A 106 8.960 -1.394 2.863 1.00 0.00 C ATOM 1716 C ILE A 106 8.615 -0.181 2.006 1.00 0.00 C ATOM 1717 O ILE A 106 8.118 0.823 2.517 1.00 0.00 O ATOM 1718 CB ILE A 106 7.697 -2.282 3.001 1.00 0.00 C ATOM 1719 CG1 ILE A 106 7.968 -3.472 3.923 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.214 -2.772 1.640 1.00 0.00 C ATOM 1721 CD1 ILE A 106 6.746 -4.334 4.160 1.00 0.00 C ATOM 0 H ILE A 106 8.687 -0.625 4.779 1.00 0.00 H new ATOM 0 HA ILE A 106 9.754 -1.976 2.395 1.00 0.00 H new ATOM 0 HB ILE A 106 6.911 -1.669 3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.759 -4.085 3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.337 -3.105 4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.327 -3.392 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.969 -1.916 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.000 -3.359 1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.006 -5.160 4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.961 -3.734 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.390 -4.730 3.209 1.00 0.00 H new ATOM 1733 N ILE A 107 8.849 -0.285 0.714 1.00 0.00 N ATOM 1734 CA ILE A 107 8.453 0.751 -0.223 1.00 0.00 C ATOM 1735 C ILE A 107 7.404 0.165 -1.151 1.00 0.00 C ATOM 1736 O ILE A 107 7.691 -0.754 -1.917 1.00 0.00 O ATOM 1737 CB ILE A 107 9.640 1.281 -1.058 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.712 1.880 -0.142 1.00 0.00 C ATOM 1739 CG2 ILE A 107 9.161 2.318 -2.069 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.904 2.446 -0.883 1.00 0.00 C ATOM 0 H ILE A 107 9.316 -1.084 0.284 1.00 0.00 H new ATOM 0 HA ILE A 107 8.062 1.596 0.343 1.00 0.00 H new ATOM 0 HB ILE A 107 10.079 0.446 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.262 2.670 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.057 1.111 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 107 10.010 2.681 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.432 1.863 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.698 3.153 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.619 2.851 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 107 12.380 1.656 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.573 3.239 -1.553 1.00 0.00 H new ATOM 1752 N CYS A 108 6.188 0.656 -1.060 1.00 0.00 N ATOM 1753 CA CYS A 108 5.097 0.073 -1.811 1.00 0.00 C ATOM 1754 C CYS A 108 4.637 0.994 -2.927 1.00 0.00 C ATOM 1755 O CYS A 108 4.351 2.174 -2.709 1.00 0.00 O ATOM 1756 CB CYS A 108 3.930 -0.273 -0.882 1.00 0.00 C ATOM 1757 SG CYS A 108 3.310 1.115 0.100 1.00 0.00 S ATOM 0 H CYS A 108 5.930 1.453 -0.477 1.00 0.00 H new ATOM 0 HA CYS A 108 5.462 -0.846 -2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.111 -0.671 -1.482 1.00 0.00 H new ATOM 0 HB3 CYS A 108 4.245 -1.067 -0.205 1.00 0.00 H new ATOM 0 HG CYS A 108 4.176 2.084 0.077 1.00 0.00 H new ATOM 1763 N THR A 109 4.611 0.455 -4.130 1.00 0.00 N ATOM 1764 CA THR A 109 4.018 1.140 -5.254 1.00 0.00 C ATOM 1765 C THR A 109 2.574 0.686 -5.386 1.00 0.00 C ATOM 1766 O THR A 109 2.306 -0.494 -5.609 1.00 0.00 O ATOM 1767 CB THR A 109 4.783 0.842 -6.555 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.194 0.951 -6.322 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.369 1.806 -7.657 1.00 0.00 C ATOM 0 H THR A 109 4.998 -0.462 -4.352 1.00 0.00 H new ATOM 0 HA THR A 109 4.065 2.215 -5.083 1.00 0.00 H new ATOM 0 HB THR A 109 4.542 -0.172 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.678 0.759 -7.152 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.922 1.577 -8.568 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.300 1.705 -7.847 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.587 2.828 -7.347 1.00 0.00 H new ATOM 1777 N ASN A 110 1.653 1.615 -5.246 1.00 0.00 N ATOM 1778 CA ASN A 110 0.247 1.274 -5.185 1.00 0.00 C ATOM 1779 C ASN A 110 -0.455 1.718 -6.454 1.00 0.00 C ATOM 1780 O ASN A 110 -0.628 2.913 -6.693 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.400 1.918 -3.956 1.00 0.00 C ATOM 1782 CG ASN A 110 0.097 1.320 -2.651 1.00 0.00 C ATOM 1783 OD1 ASN A 110 -0.603 0.306 -2.167 1.00 0.00 O flip ATOM 1784 ND2 ASN A 110 1.092 1.768 -2.079 1.00 0.00 N flip ATOM 0 H ASN A 110 1.852 2.613 -5.172 1.00 0.00 H new ATOM 0 HA ASN A 110 0.149 0.192 -5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.195 2.989 -3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.482 1.800 -4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 110 1.604 2.551 -2.485 1.00 0.00 H new ATOM 0 HD22 ASN A 110 1.403 1.356 -1.199 1.00 0.00 H new ATOM 1791 N THR A 111 -0.864 0.750 -7.258 1.00 0.00 N ATOM 1792 CA THR A 111 -1.470 1.028 -8.545 1.00 0.00 C ATOM 1793 C THR A 111 -2.931 0.583 -8.572 1.00 0.00 C ATOM 1794 O THR A 111 -3.256 -0.547 -8.198 1.00 0.00 O ATOM 1795 CB THR A 111 -0.699 0.306 -9.674 1.00 0.00 C ATOM 1796 OG1 THR A 111 0.694 0.638 -9.602 1.00 0.00 O ATOM 1797 CG2 THR A 111 -1.241 0.691 -11.041 1.00 0.00 C ATOM 0 H THR A 111 -0.785 -0.243 -7.037 1.00 0.00 H new ATOM 0 HA THR A 111 -1.425 2.105 -8.704 1.00 0.00 H new ATOM 0 HB THR A 111 -0.830 -0.768 -9.540 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.903 1.321 -10.273 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.680 0.168 -11.815 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.293 0.414 -11.106 1.00 0.00 H new ATOM 0 HG23 THR A 111 -1.139 1.767 -11.183 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.806 1.475 -9.009 1.00 0.00 N ATOM 1806 CA ASN A 112 -5.210 1.138 -9.174 1.00 0.00 C ATOM 1807 C ASN A 112 -5.418 0.546 -10.555 1.00 0.00 C ATOM 1808 O ASN A 112 -5.281 1.242 -11.562 1.00 0.00 O ATOM 1809 CB ASN A 112 -6.090 2.379 -9.023 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.577 2.048 -8.976 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -7.924 0.880 -8.454 1.00 0.00 O flip ATOM 1812 ND2 ASN A 112 -8.413 2.843 -9.402 1.00 0.00 N flip ATOM 0 H ASN A 112 -3.569 2.436 -9.255 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.489 0.418 -8.405 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.811 2.907 -8.111 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.900 3.057 -9.855 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.114 3.734 -9.798 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -9.405 2.611 -9.359 1.00 0.00 H new ATOM 1819 N VAL A 113 -5.728 -0.739 -10.604 1.00 0.00 N ATOM 1820 CA VAL A 113 -5.928 -1.417 -11.872 1.00 0.00 C ATOM 1821 C VAL A 113 -7.334 -1.142 -12.392 1.00 0.00 C ATOM 1822 O VAL A 113 -7.548 -0.234 -13.193 1.00 0.00 O ATOM 1823 CB VAL A 113 -5.719 -2.945 -11.743 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -5.789 -3.622 -13.106 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -4.394 -3.252 -11.055 1.00 0.00 C ATOM 0 H VAL A 113 -5.846 -1.332 -9.782 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.188 -1.030 -12.573 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.524 -3.345 -11.127 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.639 -4.695 -12.987 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.766 -3.439 -13.553 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.012 -3.216 -13.754 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.267 -4.332 -10.975 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.575 -2.833 -11.639 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.391 -2.811 -10.058 1.00 0.00 H new ATOM 1835 N LYS A 114 -8.285 -1.919 -11.912 1.00 0.00 N ATOM 1836 CA LYS A 114 -9.667 -1.772 -12.294 1.00 0.00 C ATOM 1837 C LYS A 114 -10.521 -1.566 -11.056 1.00 0.00 C ATOM 1838 O LYS A 114 -10.019 -1.559 -9.929 1.00 0.00 O ATOM 1839 CB LYS A 114 -10.129 -3.018 -13.050 1.00 0.00 C ATOM 1840 CG LYS A 114 -10.002 -4.302 -12.242 1.00 0.00 C ATOM 1841 CD LYS A 114 -10.626 -5.488 -12.960 1.00 0.00 C ATOM 1842 CE LYS A 114 -12.145 -5.395 -12.984 1.00 0.00 C ATOM 1843 NZ LYS A 114 -12.759 -6.544 -13.701 1.00 0.00 N ATOM 0 H LYS A 114 -8.116 -2.671 -11.244 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.772 -0.904 -12.945 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.169 -2.887 -13.348 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.545 -3.115 -13.965 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.949 -4.507 -12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -10.483 -4.170 -11.273 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -10.248 -5.535 -13.981 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.326 -6.412 -12.466 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.523 -5.361 -11.962 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -12.444 -4.464 -13.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.794 -6.444 -13.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.418 -6.562 -14.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.495 -7.431 -13.226 1.00 0.00 H new ATOM 1857 N ASN A 115 -11.806 -1.409 -11.272 1.00 0.00 N ATOM 1858 CA ASN A 115 -12.742 -1.240 -10.183 1.00 0.00 C ATOM 1859 C ASN A 115 -13.409 -2.574 -9.878 1.00 0.00 C ATOM 1860 O ASN A 115 -13.527 -3.430 -10.754 1.00 0.00 O ATOM 1861 CB ASN A 115 -13.771 -0.177 -10.555 1.00 0.00 C ATOM 1862 CG ASN A 115 -14.564 0.315 -9.357 1.00 0.00 C ATOM 1863 OD1 ASN A 115 -14.051 1.335 -8.686 1.00 0.00 O flip ATOM 1864 ND2 ASN A 115 -15.624 -0.221 -9.032 1.00 0.00 N flip ATOM 0 H ASN A 115 -12.231 -1.395 -12.199 1.00 0.00 H new ATOM 0 HA ASN A 115 -12.219 -0.907 -9.287 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -13.263 0.667 -11.021 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -14.457 -0.585 -11.297 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -15.987 -1.005 -9.575 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -16.139 0.119 -8.220 1.00 0.00 H new ATOM 1871 N SER A 116 -13.817 -2.753 -8.633 1.00 0.00 N ATOM 1872 CA SER A 116 -14.363 -4.023 -8.182 1.00 0.00 C ATOM 1873 C SER A 116 -15.811 -4.180 -8.632 1.00 0.00 C ATOM 1874 O SER A 116 -16.412 -3.248 -9.169 1.00 0.00 O ATOM 1875 CB SER A 116 -14.267 -4.104 -6.657 1.00 0.00 C ATOM 1876 OG SER A 116 -14.652 -5.380 -6.172 1.00 0.00 O ATOM 0 H SER A 116 -13.780 -2.031 -7.913 1.00 0.00 H new ATOM 0 HA SER A 116 -13.785 -4.834 -8.624 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.245 -3.890 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.903 -3.339 -6.212 1.00 0.00 H new ATOM 0 HG SER A 116 -15.177 -5.273 -5.351 1.00 0.00 H new ATOM 1882 N SER A 117 -16.358 -5.370 -8.417 1.00 0.00 N ATOM 1883 CA SER A 117 -17.753 -5.646 -8.712 1.00 0.00 C ATOM 1884 C SER A 117 -18.654 -4.833 -7.789 1.00 0.00 C ATOM 1885 O SER A 117 -19.068 -5.304 -6.726 1.00 0.00 O ATOM 1886 CB SER A 117 -18.028 -7.148 -8.556 1.00 0.00 C ATOM 1887 OG SER A 117 -19.401 -7.459 -8.749 1.00 0.00 O ATOM 0 H SER A 117 -15.847 -6.166 -8.035 1.00 0.00 H new ATOM 0 HA SER A 117 -17.968 -5.357 -9.741 1.00 0.00 H new ATOM 0 HB2 SER A 117 -17.426 -7.704 -9.275 1.00 0.00 H new ATOM 0 HB3 SER A 117 -17.719 -7.472 -7.562 1.00 0.00 H new ATOM 0 HG SER A 117 -19.697 -7.109 -9.615 1.00 0.00 H new ATOM 1893 N GLN A 118 -18.924 -3.597 -8.185 1.00 0.00 N ATOM 1894 CA GLN A 118 -19.818 -2.722 -7.441 1.00 0.00 C ATOM 1895 C GLN A 118 -21.263 -3.103 -7.750 1.00 0.00 C ATOM 1896 O GLN A 118 -22.026 -2.323 -8.317 1.00 0.00 O ATOM 1897 CB GLN A 118 -19.540 -1.257 -7.811 1.00 0.00 C ATOM 1898 CG GLN A 118 -20.222 -0.241 -6.903 1.00 0.00 C ATOM 1899 CD GLN A 118 -19.879 1.195 -7.265 1.00 0.00 C ATOM 1900 OE1 GLN A 118 -18.678 1.416 -7.777 1.00 0.00 O flip ATOM 1901 NE2 GLN A 118 -20.689 2.105 -7.076 1.00 0.00 N flip ATOM 0 H GLN A 118 -18.532 -3.175 -9.026 1.00 0.00 H new ATOM 0 HA GLN A 118 -19.648 -2.837 -6.371 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -18.464 -1.086 -7.785 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -19.865 -1.086 -8.837 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -21.302 -0.377 -6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -19.930 -0.430 -5.870 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -21.606 1.898 -6.680 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -20.443 3.065 -7.316 1.00 0.00 H new ATOM 1910 N GLU A 119 -21.613 -4.326 -7.390 1.00 0.00 N ATOM 1911 CA GLU A 119 -22.917 -4.882 -7.700 1.00 0.00 C ATOM 1912 C GLU A 119 -23.546 -5.450 -6.440 1.00 0.00 C ATOM 1913 O GLU A 119 -23.295 -6.634 -6.138 1.00 0.00 O ATOM 1914 CB GLU A 119 -22.780 -5.992 -8.741 1.00 0.00 C ATOM 1915 CG GLU A 119 -22.112 -5.554 -10.034 1.00 0.00 C ATOM 1916 CD GLU A 119 -21.787 -6.721 -10.939 1.00 0.00 C ATOM 1917 OE1 GLU A 119 -22.726 -7.331 -11.490 1.00 0.00 O ATOM 1918 OE2 GLU A 119 -20.591 -7.042 -11.098 1.00 0.00 O ATOM 1919 OXT GLU A 119 -24.259 -4.703 -5.743 1.00 0.00 O ATOM 0 H GLU A 119 -21.002 -4.960 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 119 -23.551 -4.090 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -22.206 -6.812 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -23.771 -6.383 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -22.767 -4.860 -10.561 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -21.195 -5.012 -9.801 1.00 0.00 H new TER 1926 GLU A 119