USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1124 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: B 17 HIS :FLIP no HD1:sc= -4.91! C(o=-9.8!,f=-5!) USER MOD Set 1.2: B 58 THR OG1 : rot 164:sc= -0.134 USER MOD Set 2.1: A 17 HIS :FLIP no HD1:sc= -4.47! C(o=-9.8!,f=-4.5!) USER MOD Set 2.2: A 58 THR OG1 : rot 152:sc=-0.00779 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -2.39 K(o=-2.4,f=-5.4!) USER MOD Single : A 5 THR OG1 : rot -33:sc= 1.22 USER MOD Single : A 7 SER OG : rot 120:sc= -1.11 USER MOD Single : A 8 SER OG : rot 57:sc= 0.447 USER MOD Single : A 10 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.3) USER MOD Single : A 13 CYS SG : rot -129:sc= -0.696 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.511 F(o=-4!,f=-0.51) USER MOD Single : A 25 GLN : amide:sc= -3.3 K(o=-3.3,f=-5.2) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.9 F(o=-3.9!,f=-1.9) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0335 X(o=-0.034,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.011) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.222 F(o=-2,f=-0.22) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 144:sc= -2.19 (180deg=-4.26) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 ASN : amide:sc= -2.18! C(o=-2.2!,f=-4.9!) USER MOD Single : B 5 THR OG1 : rot -32:sc= 1.27 USER MOD Single : B 7 SER OG : rot -138:sc= -0.865! USER MOD Single : B 8 SER OG : rot 57:sc= 0.516 USER MOD Single : B 10 GLN : amide:sc= -1.78 K(o=-1.8,f=-3.9!) USER MOD Single : B 13 CYS SG : rot -135:sc= 0.619 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN :FLIP amide:sc= -0.525 F(o=-4.1!,f=-0.52) USER MOD Single : B 25 GLN : amide:sc= -2.5 K(o=-2.5,f=-4.3) USER MOD Single : B 40 GLN :FLIP amide:sc= -2.04 F(o=-4.4!,f=-2) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : B 59 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.015) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.254 F(o=-2,f=-0.25) USER MOD Single : B 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0153) USER MOD Single : B 70 LYS NZ :NH3+ 149:sc= -2.08 (180deg=-4.27) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -7.119 7.721 17.680 1.00 0.00 N ATOM 31 CA SER A 3 -5.707 7.543 17.970 1.00 0.00 C ATOM 32 C SER A 3 -5.052 6.757 16.832 1.00 0.00 C ATOM 33 O SER A 3 -4.649 7.382 15.840 1.00 0.00 O ATOM 34 CB SER A 3 -5.495 6.822 19.303 1.00 0.00 C ATOM 35 OG SER A 3 -5.305 7.736 20.380 1.00 0.00 O ATOM 0 HA SER A 3 -5.244 8.526 18.052 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.356 6.188 19.513 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.628 6.166 19.227 1.00 0.00 H new ATOM 0 HG SER A 3 -5.175 7.237 21.213 1.00 0.00 H new ATOM 41 N ASN A 4 -4.961 5.425 16.994 1.00 0.00 N ATOM 42 CA ASN A 4 -4.362 4.566 15.987 1.00 0.00 C ATOM 43 C ASN A 4 -5.303 4.461 14.786 1.00 0.00 C ATOM 44 O ASN A 4 -4.850 4.027 13.718 1.00 0.00 O ATOM 45 CB ASN A 4 -4.132 3.156 16.534 1.00 0.00 C ATOM 46 CG ASN A 4 -2.644 2.797 16.517 1.00 0.00 C ATOM 47 OD1 ASN A 4 -1.775 3.648 16.419 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.400 1.493 16.619 1.00 0.00 N ATOM 0 H ASN A 4 -5.299 4.930 17.819 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.405 5.001 15.698 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.514 3.091 17.553 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.691 2.435 15.937 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.439 1.152 16.618 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.174 0.834 16.698 1.00 0.00 H new ATOM 55 N THR A 5 -6.575 4.854 14.982 1.00 0.00 N ATOM 56 CA THR A 5 -7.567 4.804 13.923 1.00 0.00 C ATOM 57 C THR A 5 -7.235 5.861 12.867 1.00 0.00 C ATOM 58 O THR A 5 -7.079 5.493 11.694 1.00 0.00 O ATOM 59 CB THR A 5 -8.955 4.980 14.544 1.00 0.00 C ATOM 60 OG1 THR A 5 -8.992 4.013 15.590 1.00 0.00 O ATOM 61 CG2 THR A 5 -10.079 4.551 13.599 1.00 0.00 C ATOM 0 H THR A 5 -6.928 5.209 15.871 1.00 0.00 H new ATOM 0 HA THR A 5 -7.559 3.841 13.413 1.00 0.00 H new ATOM 0 HB THR A 5 -9.097 6.024 14.825 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.468 3.228 15.328 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.042 4.696 14.089 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.040 5.152 12.690 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.957 3.498 13.343 1.00 0.00 H new ATOM 69 N VAL A 6 -7.136 7.131 13.298 1.00 0.00 N ATOM 70 CA VAL A 6 -6.825 8.227 12.397 1.00 0.00 C ATOM 71 C VAL A 6 -5.552 7.895 11.616 1.00 0.00 C ATOM 72 O VAL A 6 -5.534 8.116 10.397 1.00 0.00 O ATOM 73 CB VAL A 6 -6.720 9.536 13.183 1.00 0.00 C ATOM 74 CG1 VAL A 6 -8.106 10.123 13.457 1.00 0.00 C ATOM 75 CG2 VAL A 6 -5.943 9.334 14.485 1.00 0.00 C ATOM 0 H VAL A 6 -7.269 7.412 14.269 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.626 8.363 11.670 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.168 10.250 12.572 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.003 11.053 14.017 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.610 10.323 12.511 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.694 9.412 14.038 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.883 10.280 15.024 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.454 8.596 15.103 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.937 8.982 14.257 1.00 0.00 H new ATOM 85 N SER A 7 -4.530 7.379 12.323 1.00 0.00 N ATOM 86 CA SER A 7 -3.267 7.021 11.700 1.00 0.00 C ATOM 87 C SER A 7 -3.538 6.143 10.476 1.00 0.00 C ATOM 88 O SER A 7 -3.105 6.515 9.375 1.00 0.00 O ATOM 89 CB SER A 7 -2.344 6.296 12.680 1.00 0.00 C ATOM 90 OG SER A 7 -1.102 5.938 12.081 1.00 0.00 O ATOM 0 H SER A 7 -4.566 7.205 13.327 1.00 0.00 H new ATOM 0 HA SER A 7 -2.762 7.936 11.392 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.159 6.935 13.543 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.840 5.398 13.049 1.00 0.00 H new ATOM 0 HG SER A 7 -0.368 6.369 12.567 1.00 0.00 H new ATOM 96 N SER A 8 -4.236 5.014 10.689 1.00 0.00 N ATOM 97 CA SER A 8 -4.559 4.093 9.611 1.00 0.00 C ATOM 98 C SER A 8 -5.240 4.863 8.478 1.00 0.00 C ATOM 99 O SER A 8 -4.969 4.552 7.308 1.00 0.00 O ATOM 100 CB SER A 8 -5.459 2.956 10.098 1.00 0.00 C ATOM 101 OG SER A 8 -6.157 2.331 9.024 1.00 0.00 O ATOM 0 H SER A 8 -4.583 4.726 11.604 1.00 0.00 H new ATOM 0 HA SER A 8 -3.634 3.645 9.247 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.855 2.213 10.619 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.177 3.346 10.819 1.00 0.00 H new ATOM 0 HG SER A 8 -5.513 2.000 8.364 1.00 0.00 H new ATOM 107 N PHE A 9 -6.098 5.834 8.839 1.00 0.00 N ATOM 108 CA PHE A 9 -6.809 6.636 7.859 1.00 0.00 C ATOM 109 C PHE A 9 -5.799 7.305 6.924 1.00 0.00 C ATOM 110 O PHE A 9 -5.849 7.039 5.714 1.00 0.00 O ATOM 111 CB PHE A 9 -7.661 7.693 8.589 1.00 0.00 C ATOM 112 CG PHE A 9 -9.118 7.745 8.154 1.00 0.00 C ATOM 113 CD1 PHE A 9 -9.986 6.661 8.429 1.00 0.00 C ATOM 114 CD2 PHE A 9 -9.612 8.876 7.464 1.00 0.00 C ATOM 115 CE1 PHE A 9 -11.335 6.712 8.020 1.00 0.00 C ATOM 116 CE2 PHE A 9 -10.963 8.926 7.057 1.00 0.00 C ATOM 117 CZ PHE A 9 -11.824 7.843 7.334 1.00 0.00 C ATOM 0 H PHE A 9 -6.308 6.073 9.808 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.469 6.005 7.264 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.622 7.495 9.660 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.213 8.674 8.430 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.614 5.793 8.953 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.954 9.704 7.248 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.994 5.884 8.233 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.337 9.793 6.534 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.857 7.880 7.021 1.00 0.00 H new ATOM 127 N GLN A 10 -4.916 8.145 7.493 1.00 0.00 N ATOM 128 CA GLN A 10 -3.905 8.843 6.716 1.00 0.00 C ATOM 129 C GLN A 10 -3.181 7.843 5.814 1.00 0.00 C ATOM 130 O GLN A 10 -3.131 8.075 4.596 1.00 0.00 O ATOM 131 CB GLN A 10 -2.916 9.584 7.618 1.00 0.00 C ATOM 132 CG GLN A 10 -3.484 10.934 8.062 1.00 0.00 C ATOM 133 CD GLN A 10 -3.431 11.077 9.584 1.00 0.00 C ATOM 134 OE1 GLN A 10 -2.541 10.574 10.250 1.00 0.00 O ATOM 135 NE2 GLN A 10 -4.431 11.788 10.097 1.00 0.00 N ATOM 0 H GLN A 10 -4.891 8.350 8.492 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.396 9.595 6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.690 8.975 8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.977 9.738 7.086 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.918 11.741 7.597 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.515 11.029 7.720 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.144 12.182 9.483 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.485 11.940 11.104 1.00 0.00 H new ATOM 144 N VAL A 11 -2.645 6.767 6.416 1.00 0.00 N ATOM 145 CA VAL A 11 -1.931 5.742 5.671 1.00 0.00 C ATOM 146 C VAL A 11 -2.765 5.325 4.459 1.00 0.00 C ATOM 147 O VAL A 11 -2.296 5.511 3.327 1.00 0.00 O ATOM 148 CB VAL A 11 -1.587 4.571 6.593 1.00 0.00 C ATOM 149 CG1 VAL A 11 -1.015 3.397 5.795 1.00 0.00 C ATOM 150 CG2 VAL A 11 -0.622 5.006 7.697 1.00 0.00 C ATOM 0 H VAL A 11 -2.699 6.594 7.420 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.985 6.131 5.295 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.509 4.237 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.778 2.577 6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.750 3.062 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.109 3.715 5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.394 4.154 8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.299 5.379 7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.082 5.795 8.292 1.00 0.00 H new ATOM 160 N ASP A 12 -3.967 4.778 4.715 1.00 0.00 N ATOM 161 CA ASP A 12 -4.856 4.340 3.652 1.00 0.00 C ATOM 162 C ASP A 12 -4.814 5.354 2.507 1.00 0.00 C ATOM 163 O ASP A 12 -4.523 4.952 1.372 1.00 0.00 O ATOM 164 CB ASP A 12 -6.301 4.243 4.147 1.00 0.00 C ATOM 165 CG ASP A 12 -7.154 3.184 3.447 1.00 0.00 C ATOM 166 OD1 ASP A 12 -6.696 2.509 2.513 1.00 0.00 O ATOM 167 OD2 ASP A 12 -8.355 3.061 3.904 1.00 0.00 O ATOM 0 H ASP A 12 -4.335 4.633 5.655 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.523 3.357 3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.290 4.030 5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.779 5.215 4.020 1.00 0.00 H new ATOM 172 N CYS A 13 -5.103 6.630 2.823 1.00 0.00 N ATOM 173 CA CYS A 13 -5.098 7.689 1.828 1.00 0.00 C ATOM 174 C CYS A 13 -3.816 7.599 1.000 1.00 0.00 C ATOM 175 O CYS A 13 -3.914 7.494 -0.231 1.00 0.00 O ATOM 176 CB CYS A 13 -5.260 9.062 2.484 1.00 0.00 C ATOM 177 SG CYS A 13 -6.826 9.905 2.111 1.00 0.00 S ATOM 0 H CYS A 13 -5.342 6.941 3.765 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.950 7.561 1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.175 8.945 3.564 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.435 9.700 2.167 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.581 11.116 1.705 1.00 0.00 H new ATOM 183 N PHE A 14 -2.655 7.642 1.680 1.00 0.00 N ATOM 184 CA PHE A 14 -1.368 7.566 1.011 1.00 0.00 C ATOM 185 C PHE A 14 -1.356 6.358 0.073 1.00 0.00 C ATOM 186 O PHE A 14 -0.991 6.525 -1.100 1.00 0.00 O ATOM 187 CB PHE A 14 -0.252 7.449 2.068 1.00 0.00 C ATOM 188 CG PHE A 14 1.162 7.481 1.505 1.00 0.00 C ATOM 189 CD1 PHE A 14 1.690 8.684 0.984 1.00 0.00 C ATOM 190 CD2 PHE A 14 1.958 6.311 1.506 1.00 0.00 C ATOM 191 CE1 PHE A 14 3.002 8.719 0.466 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.270 6.347 0.988 1.00 0.00 C ATOM 193 CZ PHE A 14 3.792 7.550 0.468 1.00 0.00 C ATOM 0 H PHE A 14 -2.595 7.729 2.694 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.197 8.466 0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.362 8.263 2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.388 6.519 2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.087 9.580 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.561 5.389 1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.401 9.640 0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.875 5.453 0.990 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.796 7.576 0.071 1.00 0.00 H new ATOM 203 N LEU A 15 -1.749 5.183 0.598 1.00 0.00 N ATOM 204 CA LEU A 15 -1.782 3.961 -0.188 1.00 0.00 C ATOM 205 C LEU A 15 -2.626 4.190 -1.443 1.00 0.00 C ATOM 206 O LEU A 15 -2.259 3.666 -2.505 1.00 0.00 O ATOM 207 CB LEU A 15 -2.261 2.788 0.669 1.00 0.00 C ATOM 208 CG LEU A 15 -1.485 2.542 1.965 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.885 1.209 2.600 1.00 0.00 C ATOM 210 CD2 LEU A 15 0.024 2.634 1.727 1.00 0.00 C ATOM 0 H LEU A 15 -2.047 5.066 1.567 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.779 3.695 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.308 2.953 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.218 1.881 0.065 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.748 3.327 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.319 1.059 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.951 1.220 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.671 0.396 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.552 2.455 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.323 1.885 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.274 3.627 1.354 1.00 0.00 H new ATOM 222 N TRP A 16 -3.722 4.956 -1.301 1.00 0.00 N ATOM 223 CA TRP A 16 -4.607 5.250 -2.415 1.00 0.00 C ATOM 224 C TRP A 16 -3.858 6.098 -3.446 1.00 0.00 C ATOM 225 O TRP A 16 -3.990 5.820 -4.646 1.00 0.00 O ATOM 226 CB TRP A 16 -5.890 5.916 -1.913 1.00 0.00 C ATOM 227 CG TRP A 16 -6.971 6.072 -2.984 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.952 5.215 -3.296 1.00 0.00 C ATOM 229 CD2 TRP A 16 -7.140 7.191 -3.878 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.739 5.698 -4.321 1.00 0.00 N ATOM 231 CE2 TRP A 16 -8.230 6.939 -4.687 1.00 0.00 C ATOM 232 CE3 TRP A 16 -6.398 8.379 -4.000 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.675 7.827 -5.673 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.855 9.257 -4.990 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.949 9.017 -5.812 1.00 0.00 C ATOM 0 H TRP A 16 -4.007 5.379 -0.418 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.912 4.327 -2.909 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.293 5.329 -1.088 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.644 6.900 -1.514 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.107 4.265 -2.806 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.546 5.231 -4.734 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.542 8.597 -3.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.531 7.607 -6.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.320 10.185 -5.124 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -8.239 9.745 -6.555 1.00 0.00 H new ATOM 246 N HIS A 17 -3.099 7.098 -2.964 1.00 0.00 N ATOM 247 CA HIS A 17 -2.338 7.976 -3.838 1.00 0.00 C ATOM 248 C HIS A 17 -1.327 7.147 -4.632 1.00 0.00 C ATOM 249 O HIS A 17 -1.335 7.233 -5.868 1.00 0.00 O ATOM 250 CB HIS A 17 -1.682 9.107 -3.042 1.00 0.00 C ATOM 251 CG HIS A 17 -2.626 10.226 -2.675 1.00 0.00 C ATOM 252 ND1 HIS A 17 -3.718 10.241 -1.856 1.00 0.00 N flip ATOM 253 CD2 HIS A 17 -2.495 11.511 -3.172 1.00 0.00 C flip ATOM 254 CE1 HIS A 17 -4.224 11.468 -1.852 1.00 0.00 C flip ATOM 255 NE2 HIS A 17 -3.467 12.257 -2.668 1.00 0.00 N flip ATOM 0 H HIS A 17 -3.003 7.310 -1.971 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.008 8.458 -4.550 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.252 8.694 -2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.858 9.517 -3.625 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.730 11.849 -3.855 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.092 11.789 -1.295 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.622 13.247 -2.857 1.00 0.00 H new ATOM 263 N VAL A 18 -0.492 6.371 -3.918 1.00 0.00 N ATOM 264 CA VAL A 18 0.515 5.536 -4.552 1.00 0.00 C ATOM 265 C VAL A 18 -0.167 4.583 -5.535 1.00 0.00 C ATOM 266 O VAL A 18 0.432 4.285 -6.580 1.00 0.00 O ATOM 267 CB VAL A 18 1.338 4.808 -3.487 1.00 0.00 C ATOM 268 CG1 VAL A 18 2.186 5.794 -2.681 1.00 0.00 C ATOM 269 CG2 VAL A 18 0.436 3.982 -2.567 1.00 0.00 C ATOM 0 H VAL A 18 -0.504 6.313 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 18 1.215 6.147 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 18 2.015 4.122 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.761 5.251 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.867 6.320 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.535 6.515 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.046 3.475 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.276 4.640 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.105 3.242 -3.157 1.00 0.00 H new ATOM 279 N ARG A 19 -1.385 4.130 -5.189 1.00 0.00 N ATOM 280 CA ARG A 19 -2.138 3.220 -6.036 1.00 0.00 C ATOM 281 C ARG A 19 -2.551 3.945 -7.317 1.00 0.00 C ATOM 282 O ARG A 19 -2.341 3.389 -8.405 1.00 0.00 O ATOM 283 CB ARG A 19 -3.389 2.697 -5.329 1.00 0.00 C ATOM 284 CG ARG A 19 -3.063 1.473 -4.470 1.00 0.00 C ATOM 285 CD ARG A 19 -4.297 0.999 -3.700 1.00 0.00 C ATOM 286 NE ARG A 19 -3.884 0.205 -2.520 1.00 0.00 N ATOM 287 CZ ARG A 19 -4.502 -0.924 -2.113 1.00 0.00 C ATOM 288 NH1 ARG A 19 -5.557 -1.373 -2.806 1.00 0.00 N ATOM 289 NH2 ARG A 19 -4.067 -1.586 -1.033 1.00 0.00 N ATOM 0 H ARG A 19 -1.860 4.387 -4.324 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.498 2.369 -6.269 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.812 3.483 -4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.146 2.436 -6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.694 0.667 -5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.265 1.718 -3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.889 1.857 -3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.932 0.397 -4.350 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.082 0.532 -1.981 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.882 -0.863 -3.628 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.035 -2.225 -2.512 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.263 -1.238 -0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.540 -2.438 -0.732 1.00 0.00 H new ATOM 303 N LYS A 20 -3.121 5.154 -7.168 1.00 0.00 N ATOM 304 CA LYS A 20 -3.558 5.946 -8.305 1.00 0.00 C ATOM 305 C LYS A 20 -2.385 6.139 -9.267 1.00 0.00 C ATOM 306 O LYS A 20 -2.613 6.124 -10.486 1.00 0.00 O ATOM 307 CB LYS A 20 -4.191 7.257 -7.834 1.00 0.00 C ATOM 308 CG LYS A 20 -3.413 8.462 -8.365 1.00 0.00 C ATOM 309 CD LYS A 20 -3.774 8.749 -9.825 1.00 0.00 C ATOM 310 CE LYS A 20 -2.589 9.362 -10.573 1.00 0.00 C ATOM 311 NZ LYS A 20 -2.595 10.828 -10.434 1.00 0.00 N ATOM 0 H LYS A 20 -3.285 5.595 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.339 5.423 -8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.225 7.309 -8.174 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.212 7.284 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.631 9.338 -7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.343 8.274 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.080 7.825 -10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.625 9.429 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.656 8.957 -10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.637 9.090 -11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.784 11.229 -10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.478 11.211 -10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.527 11.082 -9.428 1.00 0.00 H new ATOM 325 N GLN A 21 -1.173 6.317 -8.711 1.00 0.00 N ATOM 326 CA GLN A 21 0.022 6.511 -9.515 1.00 0.00 C ATOM 327 C GLN A 21 0.464 5.168 -10.098 1.00 0.00 C ATOM 328 O GLN A 21 1.031 5.161 -11.200 1.00 0.00 O ATOM 329 CB GLN A 21 1.148 7.153 -8.701 1.00 0.00 C ATOM 330 CG GLN A 21 1.379 8.603 -9.133 1.00 0.00 C ATOM 331 CD GLN A 21 0.816 9.579 -8.098 1.00 0.00 C ATOM 332 OE1 GLN A 21 -0.295 9.155 -7.502 1.00 0.00 O flip ATOM 333 NE2 GLN A 21 1.353 10.647 -7.857 1.00 0.00 N flip ATOM 0 H GLN A 21 -1.007 6.329 -7.705 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.212 7.196 -10.330 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.899 7.121 -7.640 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.067 6.581 -8.830 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.446 8.782 -9.264 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.906 8.778 -10.099 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.205 10.912 -8.351 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.950 11.275 -7.162 1.00 0.00 H new ATOM 342 N VAL A 22 0.201 4.075 -9.359 1.00 0.00 N ATOM 343 CA VAL A 22 0.569 2.741 -9.800 1.00 0.00 C ATOM 344 C VAL A 22 -0.139 2.431 -11.121 1.00 0.00 C ATOM 345 O VAL A 22 0.531 1.964 -12.054 1.00 0.00 O ATOM 346 CB VAL A 22 0.257 1.722 -8.702 1.00 0.00 C ATOM 347 CG1 VAL A 22 -0.501 0.519 -9.268 1.00 0.00 C ATOM 348 CG2 VAL A 22 1.534 1.278 -7.987 1.00 0.00 C ATOM 0 H VAL A 22 -0.267 4.102 -8.453 1.00 0.00 H new ATOM 0 HA VAL A 22 1.642 2.683 -9.984 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.386 2.208 -7.968 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.710 -0.189 -8.466 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.439 0.855 -9.709 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.106 0.033 -10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.284 0.554 -7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.213 0.820 -8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.017 2.144 -7.533 1.00 0.00 H new ATOM 358 N VAL A 23 -1.457 2.693 -11.174 1.00 0.00 N ATOM 359 CA VAL A 23 -2.245 2.444 -12.369 1.00 0.00 C ATOM 360 C VAL A 23 -1.932 3.518 -13.413 1.00 0.00 C ATOM 361 O VAL A 23 -1.806 3.170 -14.597 1.00 0.00 O ATOM 362 CB VAL A 23 -3.731 2.374 -12.011 1.00 0.00 C ATOM 363 CG1 VAL A 23 -4.557 1.871 -13.198 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.957 1.501 -10.776 1.00 0.00 C ATOM 0 H VAL A 23 -1.990 3.078 -10.394 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.984 1.480 -12.805 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.067 3.383 -11.773 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.610 1.830 -12.918 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.432 2.550 -14.042 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.218 0.874 -13.481 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.021 1.468 -10.543 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.598 0.491 -10.974 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.413 1.920 -9.929 1.00 0.00 H new ATOM 374 N ASP A 24 -1.814 4.780 -12.963 1.00 0.00 N ATOM 375 CA ASP A 24 -1.518 5.890 -13.852 1.00 0.00 C ATOM 376 C ASP A 24 -0.194 5.623 -14.572 1.00 0.00 C ATOM 377 O ASP A 24 -0.025 6.116 -15.697 1.00 0.00 O ATOM 378 CB ASP A 24 -1.375 7.198 -13.071 1.00 0.00 C ATOM 379 CG ASP A 24 -1.085 8.433 -13.925 1.00 0.00 C ATOM 380 OD1 ASP A 24 0.164 8.656 -14.157 1.00 0.00 O ATOM 381 OD2 ASP A 24 -2.006 9.147 -14.350 1.00 0.00 O ATOM 0 H ASP A 24 -1.922 5.045 -11.984 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.340 5.981 -14.562 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.293 7.371 -12.510 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.573 7.082 -12.342 1.00 0.00 H new ATOM 386 N GLN A 25 0.702 4.861 -13.921 1.00 0.00 N ATOM 387 CA GLN A 25 1.996 4.533 -14.496 1.00 0.00 C ATOM 388 C GLN A 25 1.893 3.205 -15.248 1.00 0.00 C ATOM 389 O GLN A 25 2.933 2.560 -15.452 1.00 0.00 O ATOM 390 CB GLN A 25 3.088 4.474 -13.426 1.00 0.00 C ATOM 391 CG GLN A 25 3.824 5.810 -13.320 1.00 0.00 C ATOM 392 CD GLN A 25 5.330 5.595 -13.158 1.00 0.00 C ATOM 393 OE1 GLN A 25 5.792 4.547 -12.735 1.00 0.00 O ATOM 394 NE2 GLN A 25 6.069 6.641 -13.517 1.00 0.00 N ATOM 0 H GLN A 25 0.543 4.465 -12.995 1.00 0.00 H new ATOM 0 HA GLN A 25 2.278 5.321 -15.194 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.645 4.221 -12.463 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.797 3.682 -13.668 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.632 6.407 -14.212 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.440 6.374 -12.470 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.619 7.489 -13.863 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.086 6.596 -13.446 1.00 0.00 H new ATOM 403 N GLU A 26 0.663 2.828 -15.640 1.00 0.00 N ATOM 404 CA GLU A 26 0.431 1.588 -16.362 1.00 0.00 C ATOM 405 C GLU A 26 1.509 0.571 -15.982 1.00 0.00 C ATOM 406 O GLU A 26 2.306 0.203 -16.856 1.00 0.00 O ATOM 407 CB GLU A 26 0.402 1.817 -17.875 1.00 0.00 C ATOM 408 CG GLU A 26 1.768 2.275 -18.386 1.00 0.00 C ATOM 409 CD GLU A 26 1.617 3.292 -19.520 1.00 0.00 C ATOM 410 OE1 GLU A 26 0.665 3.041 -20.353 1.00 0.00 O ATOM 411 OE2 GLU A 26 2.381 4.266 -19.585 1.00 0.00 O ATOM 0 H GLU A 26 -0.180 3.374 -15.463 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.547 1.197 -16.080 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.111 0.896 -18.380 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.351 2.566 -18.119 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.336 2.719 -17.568 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.336 1.414 -18.738 1.00 0.00 H new ATOM 418 N LEU A 27 1.512 0.146 -14.705 1.00 0.00 N ATOM 419 CA LEU A 27 2.483 -0.817 -14.217 1.00 0.00 C ATOM 420 C LEU A 27 1.757 -1.916 -13.437 1.00 0.00 C ATOM 421 O LEU A 27 2.393 -2.933 -13.121 1.00 0.00 O ATOM 422 CB LEU A 27 3.579 -0.115 -13.414 1.00 0.00 C ATOM 423 CG LEU A 27 3.226 0.245 -11.969 1.00 0.00 C ATOM 424 CD1 LEU A 27 3.860 -0.742 -10.988 1.00 0.00 C ATOM 425 CD2 LEU A 27 3.611 1.692 -11.656 1.00 0.00 C ATOM 0 H LEU A 27 0.846 0.463 -14.001 1.00 0.00 H new ATOM 0 HA LEU A 27 2.992 -1.300 -15.051 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.461 -0.756 -13.403 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.856 0.800 -13.938 1.00 0.00 H new ATOM 0 HG LEU A 27 2.145 0.166 -11.851 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.594 -0.463 -9.968 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.495 -1.748 -11.197 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.944 -0.719 -11.099 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.350 1.923 -10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.684 1.821 -11.796 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.074 2.364 -12.325 1.00 0.00 H new ATOM 437 N GLY A 28 0.463 -1.694 -13.148 1.00 0.00 N ATOM 438 CA GLY A 28 -0.338 -2.658 -12.413 1.00 0.00 C ATOM 439 C GLY A 28 -0.476 -3.937 -13.240 1.00 0.00 C ATOM 440 O GLY A 28 0.308 -4.116 -14.184 1.00 0.00 O ATOM 0 H GLY A 28 -0.041 -0.850 -13.418 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.130 -2.880 -11.454 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.322 -2.242 -12.199 1.00 0.00 H new ATOM 444 N ASP A 29 -1.453 -4.787 -12.878 1.00 0.00 N ATOM 445 CA ASP A 29 -1.688 -6.036 -13.582 1.00 0.00 C ATOM 446 C ASP A 29 -3.176 -6.157 -13.913 1.00 0.00 C ATOM 447 O ASP A 29 -3.499 -6.571 -15.037 1.00 0.00 O ATOM 448 CB ASP A 29 -1.297 -7.237 -12.718 1.00 0.00 C ATOM 449 CG ASP A 29 -1.627 -8.603 -13.323 1.00 0.00 C ATOM 450 OD1 ASP A 29 -1.514 -8.807 -14.541 1.00 0.00 O ATOM 451 OD2 ASP A 29 -2.023 -9.493 -12.477 1.00 0.00 O ATOM 0 H ASP A 29 -2.088 -4.621 -12.098 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.083 -6.031 -14.489 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.226 -7.192 -12.523 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.800 -7.152 -11.755 1.00 0.00 H new ATOM 456 N ALA A 30 -4.040 -5.800 -12.946 1.00 0.00 N ATOM 457 CA ALA A 30 -5.479 -5.868 -13.135 1.00 0.00 C ATOM 458 C ALA A 30 -6.176 -5.676 -11.786 1.00 0.00 C ATOM 459 O ALA A 30 -7.196 -4.971 -11.744 1.00 0.00 O ATOM 460 CB ALA A 30 -5.869 -7.266 -13.622 1.00 0.00 C ATOM 0 H ALA A 30 -3.754 -5.462 -12.027 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.769 -5.101 -13.853 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.949 -7.314 -13.763 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.370 -7.474 -14.568 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.566 -8.007 -12.882 1.00 0.00 H new ATOM 466 N PRO A 31 -5.621 -6.294 -10.728 1.00 0.00 N ATOM 467 CA PRO A 31 -6.157 -6.212 -9.380 1.00 0.00 C ATOM 468 C PRO A 31 -5.854 -4.851 -8.751 1.00 0.00 C ATOM 469 O PRO A 31 -6.589 -4.446 -7.838 1.00 0.00 O ATOM 470 CB PRO A 31 -5.516 -7.368 -8.631 1.00 0.00 C ATOM 471 CG PRO A 31 -4.300 -7.771 -9.448 1.00 0.00 C ATOM 472 CD PRO A 31 -4.418 -7.116 -10.815 1.00 0.00 C ATOM 0 HA PRO A 31 -7.244 -6.292 -9.354 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.228 -7.068 -7.623 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.212 -8.201 -8.529 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.384 -7.453 -8.950 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.249 -8.855 -9.547 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.540 -6.511 -11.041 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.504 -7.862 -11.606 1.00 0.00 H new ATOM 480 N PHE A 32 -4.794 -4.183 -9.241 1.00 0.00 N ATOM 481 CA PHE A 32 -4.401 -2.881 -8.730 1.00 0.00 C ATOM 482 C PHE A 32 -5.453 -1.844 -9.126 1.00 0.00 C ATOM 483 O PHE A 32 -5.775 -0.982 -8.295 1.00 0.00 O ATOM 484 CB PHE A 32 -3.021 -2.507 -9.304 1.00 0.00 C ATOM 485 CG PHE A 32 -1.837 -3.010 -8.490 1.00 0.00 C ATOM 486 CD1 PHE A 32 -2.037 -3.919 -7.424 1.00 0.00 C ATOM 487 CD2 PHE A 32 -0.529 -2.565 -8.791 1.00 0.00 C ATOM 488 CE1 PHE A 32 -0.937 -4.379 -6.667 1.00 0.00 C ATOM 489 CE2 PHE A 32 0.569 -3.026 -8.034 1.00 0.00 C ATOM 490 CZ PHE A 32 0.365 -3.933 -6.973 1.00 0.00 C ATOM 0 H PHE A 32 -4.200 -4.535 -9.992 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.332 -2.908 -7.643 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.944 -2.904 -10.316 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.957 -1.422 -9.381 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.034 -4.262 -7.189 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.370 -1.870 -9.603 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.093 -5.072 -5.854 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.567 -2.684 -8.267 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.206 -4.286 -6.395 1.00 0.00 H new ATOM 500 N LEU A 33 -5.959 -1.943 -10.369 1.00 0.00 N ATOM 501 CA LEU A 33 -6.965 -1.020 -10.866 1.00 0.00 C ATOM 502 C LEU A 33 -8.317 -1.351 -10.230 1.00 0.00 C ATOM 503 O LEU A 33 -8.973 -0.428 -9.726 1.00 0.00 O ATOM 504 CB LEU A 33 -6.988 -1.027 -12.397 1.00 0.00 C ATOM 505 CG LEU A 33 -8.212 -0.385 -13.052 1.00 0.00 C ATOM 506 CD1 LEU A 33 -8.446 1.027 -12.510 1.00 0.00 C ATOM 507 CD2 LEU A 33 -8.088 -0.400 -14.576 1.00 0.00 C ATOM 0 H LEU A 33 -5.679 -2.659 -11.040 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.719 0.002 -10.577 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.097 -0.513 -12.756 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.919 -2.060 -12.737 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.089 -0.979 -12.794 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.322 1.461 -12.992 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.610 0.981 -11.433 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.573 1.646 -12.718 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.971 0.062 -15.017 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.200 0.157 -14.874 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.005 -1.430 -14.924 1.00 0.00 H new ATOM 519 N ASP A 34 -8.698 -2.641 -10.264 1.00 0.00 N ATOM 520 CA ASP A 34 -9.958 -3.087 -9.694 1.00 0.00 C ATOM 521 C ASP A 34 -9.996 -2.729 -8.207 1.00 0.00 C ATOM 522 O ASP A 34 -10.962 -2.081 -7.781 1.00 0.00 O ATOM 523 CB ASP A 34 -10.113 -4.604 -9.820 1.00 0.00 C ATOM 524 CG ASP A 34 -10.227 -5.126 -11.254 1.00 0.00 C ATOM 525 OD1 ASP A 34 -9.872 -4.289 -12.168 1.00 0.00 O ATOM 526 OD2 ASP A 34 -10.633 -6.274 -11.485 1.00 0.00 O ATOM 0 H ASP A 34 -8.142 -3.386 -10.684 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.766 -2.596 -10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.258 -5.082 -9.342 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.000 -4.911 -9.266 1.00 0.00 H new ATOM 531 N ARG A 35 -8.959 -3.151 -7.460 1.00 0.00 N ATOM 532 CA ARG A 35 -8.875 -2.877 -6.036 1.00 0.00 C ATOM 533 C ARG A 35 -8.936 -1.365 -5.807 1.00 0.00 C ATOM 534 O ARG A 35 -9.724 -0.929 -4.955 1.00 0.00 O ATOM 535 CB ARG A 35 -7.581 -3.425 -5.432 1.00 0.00 C ATOM 536 CG ARG A 35 -7.604 -4.954 -5.382 1.00 0.00 C ATOM 537 CD ARG A 35 -6.197 -5.517 -5.166 1.00 0.00 C ATOM 538 NE ARG A 35 -5.386 -4.564 -4.376 1.00 0.00 N ATOM 539 CZ ARG A 35 -4.772 -4.875 -3.214 1.00 0.00 C ATOM 540 NH1 ARG A 35 -4.890 -6.117 -2.729 1.00 0.00 N ATOM 541 NH2 ARG A 35 -4.054 -3.953 -2.558 1.00 0.00 N ATOM 0 H ARG A 35 -8.172 -3.683 -7.831 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.714 -3.372 -5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.729 -3.090 -6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.448 -3.027 -4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.260 -5.285 -4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.018 -5.346 -6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.255 -6.474 -4.648 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.719 -5.703 -6.128 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.284 -3.613 -4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.437 -6.813 -3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.432 -6.368 -1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.969 -3.009 -2.936 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.593 -4.195 -1.681 1.00 0.00 H new ATOM 555 N LEU A 36 -8.117 -0.608 -6.560 1.00 0.00 N ATOM 556 CA LEU A 36 -8.080 0.839 -6.441 1.00 0.00 C ATOM 557 C LEU A 36 -9.483 1.403 -6.672 1.00 0.00 C ATOM 558 O LEU A 36 -9.863 2.347 -5.964 1.00 0.00 O ATOM 559 CB LEU A 36 -7.019 1.426 -7.374 1.00 0.00 C ATOM 560 CG LEU A 36 -7.125 2.928 -7.649 1.00 0.00 C ATOM 561 CD1 LEU A 36 -6.840 3.738 -6.384 1.00 0.00 C ATOM 562 CD2 LEU A 36 -6.216 3.338 -8.809 1.00 0.00 C ATOM 0 H LEU A 36 -7.475 -0.987 -7.256 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.782 1.131 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.036 1.223 -6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.069 0.898 -8.326 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.149 3.149 -7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.922 4.802 -6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.562 3.473 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.833 3.518 -6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.310 4.410 -8.984 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.181 3.100 -8.562 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.508 2.797 -9.709 1.00 0.00 H new ATOM 574 N ARG A 37 -10.212 0.823 -7.642 1.00 0.00 N ATOM 575 CA ARG A 37 -11.559 1.264 -7.960 1.00 0.00 C ATOM 576 C ARG A 37 -12.441 1.137 -6.717 1.00 0.00 C ATOM 577 O ARG A 37 -13.046 2.142 -6.316 1.00 0.00 O ATOM 578 CB ARG A 37 -12.169 0.440 -9.096 1.00 0.00 C ATOM 579 CG ARG A 37 -12.364 1.294 -10.350 1.00 0.00 C ATOM 580 CD ARG A 37 -12.325 0.431 -11.613 1.00 0.00 C ATOM 581 NE ARG A 37 -13.638 -0.218 -11.822 1.00 0.00 N ATOM 582 CZ ARG A 37 -13.796 -1.468 -12.308 1.00 0.00 C ATOM 583 NH1 ARG A 37 -12.709 -2.183 -12.627 1.00 0.00 N ATOM 584 NH2 ARG A 37 -15.022 -1.985 -12.468 1.00 0.00 N ATOM 0 H ARG A 37 -9.879 0.047 -8.214 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.505 2.303 -8.285 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.521 -0.406 -9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.128 0.030 -8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.318 1.818 -10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.585 2.055 -10.401 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.073 1.046 -12.476 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.546 -0.326 -11.522 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.476 0.312 -11.584 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.780 -1.782 -12.502 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.811 -3.129 -12.995 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.844 -1.434 -12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.133 -2.930 -12.836 1.00 0.00 H new ATOM 598 N ARG A 38 -12.496 -0.077 -6.139 1.00 0.00 N ATOM 599 CA ARG A 38 -13.297 -0.331 -4.953 1.00 0.00 C ATOM 600 C ARG A 38 -12.736 0.479 -3.782 1.00 0.00 C ATOM 601 O ARG A 38 -13.507 0.808 -2.870 1.00 0.00 O ATOM 602 CB ARG A 38 -13.300 -1.815 -4.582 1.00 0.00 C ATOM 603 CG ARG A 38 -13.661 -2.681 -5.790 1.00 0.00 C ATOM 604 CD ARG A 38 -14.387 -3.955 -5.353 1.00 0.00 C ATOM 605 NE ARG A 38 -15.803 -3.905 -5.785 1.00 0.00 N ATOM 606 CZ ARG A 38 -16.571 -4.996 -5.988 1.00 0.00 C ATOM 607 NH1 ARG A 38 -16.040 -6.210 -5.792 1.00 0.00 N ATOM 608 NH2 ARG A 38 -17.846 -4.866 -6.380 1.00 0.00 N ATOM 0 H ARG A 38 -11.989 -0.892 -6.484 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.323 -0.033 -5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.318 -2.101 -4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -14.014 -1.991 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.293 -2.114 -6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.756 -2.943 -6.338 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.897 -4.828 -5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.332 -4.061 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 38 -16.224 -2.989 -5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.069 -6.300 -5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.607 -7.045 -5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -18.242 -3.938 -6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -18.420 -5.695 -6.531 1.00 0.00 H new ATOM 622 N ASP A 39 -11.426 0.780 -3.830 1.00 0.00 N ATOM 623 CA ASP A 39 -10.772 1.543 -2.782 1.00 0.00 C ATOM 624 C ASP A 39 -11.188 3.012 -2.891 1.00 0.00 C ATOM 625 O ASP A 39 -11.221 3.694 -1.857 1.00 0.00 O ATOM 626 CB ASP A 39 -9.249 1.472 -2.915 1.00 0.00 C ATOM 627 CG ASP A 39 -8.477 1.616 -1.603 1.00 0.00 C ATOM 628 OD1 ASP A 39 -8.933 1.168 -0.540 1.00 0.00 O ATOM 629 OD2 ASP A 39 -7.345 2.228 -1.700 1.00 0.00 O ATOM 0 H ASP A 39 -10.808 0.500 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.070 1.120 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.984 0.519 -3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.922 2.255 -3.599 1.00 0.00 H new ATOM 634 N GLN A 40 -11.490 3.462 -4.122 1.00 0.00 N ATOM 635 CA GLN A 40 -11.900 4.835 -4.360 1.00 0.00 C ATOM 636 C GLN A 40 -13.237 5.094 -3.662 1.00 0.00 C ATOM 637 O GLN A 40 -13.299 6.010 -2.829 1.00 0.00 O ATOM 638 CB GLN A 40 -11.995 5.142 -5.856 1.00 0.00 C ATOM 639 CG GLN A 40 -12.780 6.431 -6.103 1.00 0.00 C ATOM 640 CD GLN A 40 -11.951 7.660 -5.723 1.00 0.00 C ATOM 641 OE1 GLN A 40 -11.628 7.716 -4.434 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -11.626 8.500 -6.546 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.454 2.884 -4.962 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.143 5.501 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.993 5.236 -6.276 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.480 4.313 -6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.066 6.491 -7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.702 6.416 -5.522 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.908 8.395 -7.521 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.072 9.307 -6.259 1.00 0.00 H new ATOM 651 N LYS A 41 -14.261 4.295 -4.008 1.00 0.00 N ATOM 652 CA LYS A 41 -15.581 4.437 -3.418 1.00 0.00 C ATOM 653 C LYS A 41 -15.486 4.230 -1.906 1.00 0.00 C ATOM 654 O LYS A 41 -16.158 4.962 -1.165 1.00 0.00 O ATOM 655 CB LYS A 41 -16.578 3.501 -4.105 1.00 0.00 C ATOM 656 CG LYS A 41 -17.872 4.240 -4.455 1.00 0.00 C ATOM 657 CD LYS A 41 -19.091 3.510 -3.884 1.00 0.00 C ATOM 658 CE LYS A 41 -19.174 3.687 -2.366 1.00 0.00 C ATOM 659 NZ LYS A 41 -20.563 3.946 -1.953 1.00 0.00 N ATOM 0 H LYS A 41 -14.188 3.546 -4.696 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.962 5.446 -3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.132 3.091 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.802 2.658 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.834 5.255 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.967 4.322 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.000 3.893 -4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.031 2.449 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.801 2.792 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.536 4.514 -2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.602 4.064 -0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -20.906 4.813 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.164 3.144 -2.233 1.00 0.00 H new ATOM 673 N SER A 42 -14.664 3.251 -1.484 1.00 0.00 N ATOM 674 CA SER A 42 -14.483 2.953 -0.072 1.00 0.00 C ATOM 675 C SER A 42 -13.868 4.167 0.627 1.00 0.00 C ATOM 676 O SER A 42 -14.316 4.499 1.733 1.00 0.00 O ATOM 677 CB SER A 42 -13.601 1.719 0.130 1.00 0.00 C ATOM 678 OG SER A 42 -13.791 1.133 1.415 1.00 0.00 O ATOM 0 H SER A 42 -14.119 2.659 -2.111 1.00 0.00 H new ATOM 0 HA SER A 42 -15.458 2.734 0.364 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.826 0.982 -0.641 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.554 1.998 0.010 1.00 0.00 H new ATOM 0 HG SER A 42 -13.212 0.347 1.505 1.00 0.00 H new ATOM 684 N LEU A 43 -12.871 4.794 -0.023 1.00 0.00 N ATOM 685 CA LEU A 43 -12.203 5.958 0.533 1.00 0.00 C ATOM 686 C LEU A 43 -13.203 7.111 0.642 1.00 0.00 C ATOM 687 O LEU A 43 -13.446 7.575 1.766 1.00 0.00 O ATOM 688 CB LEU A 43 -10.956 6.302 -0.284 1.00 0.00 C ATOM 689 CG LEU A 43 -9.939 7.220 0.397 1.00 0.00 C ATOM 690 CD1 LEU A 43 -9.134 6.459 1.452 1.00 0.00 C ATOM 691 CD2 LEU A 43 -9.037 7.899 -0.634 1.00 0.00 C ATOM 0 H LEU A 43 -12.518 4.504 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.847 5.747 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.454 5.372 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.274 6.772 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.484 8.009 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.418 7.134 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.810 6.063 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.599 5.636 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.324 8.546 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.498 7.140 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.646 8.496 -1.313 1.00 0.00 H new ATOM 703 N ARG A 44 -13.754 7.541 -0.506 1.00 0.00 N ATOM 704 CA ARG A 44 -14.718 8.628 -0.539 1.00 0.00 C ATOM 705 C ARG A 44 -15.685 8.481 0.639 1.00 0.00 C ATOM 706 O ARG A 44 -15.960 9.490 1.304 1.00 0.00 O ATOM 707 CB ARG A 44 -15.515 8.636 -1.845 1.00 0.00 C ATOM 708 CG ARG A 44 -16.285 9.948 -2.009 1.00 0.00 C ATOM 709 CD ARG A 44 -15.776 10.734 -3.218 1.00 0.00 C ATOM 710 NE ARG A 44 -16.420 10.235 -4.455 1.00 0.00 N ATOM 711 CZ ARG A 44 -16.872 11.031 -5.447 1.00 0.00 C ATOM 712 NH1 ARG A 44 -16.737 12.359 -5.327 1.00 0.00 N ATOM 713 NH2 ARG A 44 -17.444 10.501 -6.536 1.00 0.00 N ATOM 0 H ARG A 44 -13.540 7.144 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.170 9.568 -0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.839 8.499 -2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.211 7.798 -1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.348 9.738 -2.129 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.179 10.551 -1.107 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.991 11.795 -3.089 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.693 10.635 -3.297 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.529 9.227 -4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.298 12.754 -4.495 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.073 12.975 -6.067 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.541 9.489 -6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.783 11.109 -7.281 1.00 0.00 H new ATOM 727 N GLY A 45 -16.172 7.249 0.869 1.00 0.00 N ATOM 728 CA GLY A 45 -17.097 6.978 1.956 1.00 0.00 C ATOM 729 C GLY A 45 -16.405 7.257 3.291 1.00 0.00 C ATOM 730 O GLY A 45 -16.966 8.010 4.100 1.00 0.00 O ATOM 0 H GLY A 45 -15.933 6.431 0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.985 7.602 1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.430 5.941 1.916 1.00 0.00 H new ATOM 734 N ARG A 46 -15.219 6.654 3.493 1.00 0.00 N ATOM 735 CA ARG A 46 -14.461 6.836 4.719 1.00 0.00 C ATOM 736 C ARG A 46 -14.183 8.327 4.923 1.00 0.00 C ATOM 737 O ARG A 46 -14.726 8.903 5.877 1.00 0.00 O ATOM 738 CB ARG A 46 -13.133 6.077 4.678 1.00 0.00 C ATOM 739 CG ARG A 46 -13.336 4.599 5.014 1.00 0.00 C ATOM 740 CD ARG A 46 -12.006 3.928 5.364 1.00 0.00 C ATOM 741 NE ARG A 46 -12.082 3.332 6.717 1.00 0.00 N ATOM 742 CZ ARG A 46 -11.016 3.158 7.527 1.00 0.00 C ATOM 743 NH1 ARG A 46 -9.806 3.544 7.101 1.00 0.00 N ATOM 744 NH2 ARG A 46 -11.168 2.609 8.740 1.00 0.00 N ATOM 0 H ARG A 46 -14.774 6.037 2.813 1.00 0.00 H new ATOM 0 HA ARG A 46 -15.052 6.441 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.687 6.171 3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.434 6.522 5.386 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.027 4.505 5.852 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.792 4.089 4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.774 3.156 4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.198 4.659 5.324 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.996 3.034 7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.700 3.962 6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.990 3.420 7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.093 2.320 9.056 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.358 2.480 9.347 1.00 0.00 H new ATOM 758 N GLY A 47 -13.355 8.912 4.039 1.00 0.00 N ATOM 759 CA GLY A 47 -13.011 10.321 4.123 1.00 0.00 C ATOM 760 C GLY A 47 -14.276 11.135 4.400 1.00 0.00 C ATOM 761 O GLY A 47 -14.373 11.723 5.486 1.00 0.00 O ATOM 0 H GLY A 47 -12.917 8.419 3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.280 10.482 4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.549 10.650 3.192 1.00 0.00 H new ATOM 765 N SER A 48 -15.206 11.154 3.427 1.00 0.00 N ATOM 766 CA SER A 48 -16.451 11.890 3.566 1.00 0.00 C ATOM 767 C SER A 48 -16.992 11.704 4.985 1.00 0.00 C ATOM 768 O SER A 48 -17.156 12.710 5.690 1.00 0.00 O ATOM 769 CB SER A 48 -17.488 11.434 2.538 1.00 0.00 C ATOM 770 OG SER A 48 -18.706 12.165 2.649 1.00 0.00 O ATOM 0 H SER A 48 -15.107 10.663 2.539 1.00 0.00 H new ATOM 0 HA SER A 48 -16.252 12.946 3.384 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.082 11.557 1.534 1.00 0.00 H new ATOM 0 HB3 SER A 48 -17.689 10.371 2.673 1.00 0.00 H new ATOM 0 HG SER A 48 -19.342 11.846 1.975 1.00 0.00 H new ATOM 776 N THR A 49 -17.256 10.442 5.368 1.00 0.00 N ATOM 777 CA THR A 49 -17.774 10.131 6.690 1.00 0.00 C ATOM 778 C THR A 49 -17.089 11.026 7.725 1.00 0.00 C ATOM 779 O THR A 49 -17.795 11.770 8.421 1.00 0.00 O ATOM 780 CB THR A 49 -17.576 8.636 6.953 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.837 8.057 6.628 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.393 8.323 8.439 1.00 0.00 C ATOM 0 H THR A 49 -17.115 9.627 4.771 1.00 0.00 H new ATOM 0 HA THR A 49 -18.843 10.334 6.760 1.00 0.00 H new ATOM 0 HB THR A 49 -16.708 8.281 6.398 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.798 7.088 6.768 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.257 7.250 8.571 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.516 8.849 8.816 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.276 8.647 8.990 1.00 0.00 H new ATOM 790 N LEU A 50 -15.749 10.938 7.804 1.00 0.00 N ATOM 791 CA LEU A 50 -14.980 11.734 8.746 1.00 0.00 C ATOM 792 C LEU A 50 -15.164 13.218 8.422 1.00 0.00 C ATOM 793 O LEU A 50 -15.628 13.960 9.301 1.00 0.00 O ATOM 794 CB LEU A 50 -13.518 11.284 8.758 1.00 0.00 C ATOM 795 CG LEU A 50 -12.940 10.918 10.126 1.00 0.00 C ATOM 796 CD1 LEU A 50 -11.540 10.317 9.987 1.00 0.00 C ATOM 797 CD2 LEU A 50 -12.955 12.123 11.069 1.00 0.00 C ATOM 0 H LEU A 50 -15.186 10.319 7.221 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.345 11.581 9.762 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.419 10.420 8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.910 12.081 8.330 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.576 10.153 10.571 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.152 10.066 10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.590 9.415 9.377 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.879 11.041 9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.539 11.835 12.034 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.356 12.927 10.641 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.981 12.466 11.204 1.00 0.00 H new ATOM 809 N GLY A 51 -14.805 13.615 7.188 1.00 0.00 N ATOM 810 CA GLY A 51 -14.930 14.996 6.756 1.00 0.00 C ATOM 811 C GLY A 51 -13.593 15.712 6.959 1.00 0.00 C ATOM 812 O GLY A 51 -13.602 16.940 7.135 1.00 0.00 O ATOM 0 H GLY A 51 -14.426 12.987 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.221 15.036 5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.714 15.497 7.324 1.00 0.00 H new ATOM 816 N LEU A 52 -12.489 14.945 6.929 1.00 0.00 N ATOM 817 CA LEU A 52 -11.159 15.504 7.108 1.00 0.00 C ATOM 818 C LEU A 52 -10.704 16.156 5.801 1.00 0.00 C ATOM 819 O LEU A 52 -11.198 17.248 5.484 1.00 0.00 O ATOM 820 CB LEU A 52 -10.195 14.435 7.629 1.00 0.00 C ATOM 821 CG LEU A 52 -10.489 13.894 9.030 1.00 0.00 C ATOM 822 CD1 LEU A 52 -9.390 12.932 9.487 1.00 0.00 C ATOM 823 CD2 LEU A 52 -10.702 15.035 10.026 1.00 0.00 C ATOM 0 H LEU A 52 -12.503 13.936 6.782 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.174 16.286 7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.198 13.599 6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.187 14.850 7.625 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.419 13.326 8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.623 12.562 10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.329 12.093 8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.434 13.455 9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.909 14.622 11.013 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.804 15.651 10.071 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.545 15.646 9.704 1.00 0.00 H new ATOM 835 N ASN A 53 -9.787 15.486 5.081 1.00 0.00 N ATOM 836 CA ASN A 53 -9.274 15.997 3.820 1.00 0.00 C ATOM 837 C ASN A 53 -8.352 14.952 3.189 1.00 0.00 C ATOM 838 O ASN A 53 -7.185 14.869 3.597 1.00 0.00 O ATOM 839 CB ASN A 53 -8.460 17.275 4.036 1.00 0.00 C ATOM 840 CG ASN A 53 -9.051 18.441 3.241 1.00 0.00 C ATOM 841 OD1 ASN A 53 -9.391 19.483 3.777 1.00 0.00 O ATOM 842 ND2 ASN A 53 -9.154 18.209 1.935 1.00 0.00 N ATOM 0 H ASN A 53 -9.392 14.588 5.361 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.124 16.214 3.172 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.443 17.525 5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.427 17.109 3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.536 18.926 1.318 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.851 17.314 1.550 1.00 0.00 H new ATOM 849 N ILE A 54 -8.886 14.187 2.220 1.00 0.00 N ATOM 850 CA ILE A 54 -8.118 13.157 1.540 1.00 0.00 C ATOM 851 C ILE A 54 -6.675 13.636 1.365 1.00 0.00 C ATOM 852 O ILE A 54 -5.756 12.859 1.659 1.00 0.00 O ATOM 853 CB ILE A 54 -8.797 12.760 0.228 1.00 0.00 C ATOM 854 CG1 ILE A 54 -9.775 11.604 0.445 1.00 0.00 C ATOM 855 CG2 ILE A 54 -7.760 12.440 -0.851 1.00 0.00 C ATOM 856 CD1 ILE A 54 -10.896 12.007 1.406 1.00 0.00 C ATOM 0 H ILE A 54 -9.850 14.272 1.898 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.083 12.248 2.141 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.379 13.611 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.202 11.300 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.241 10.742 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.269 12.161 -1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.139 13.318 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.132 11.613 -0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.577 11.167 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.467 12.287 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.443 12.854 0.992 1.00 0.00 H new ATOM 868 N GLU A 55 -6.508 14.887 0.899 1.00 0.00 N ATOM 869 CA GLU A 55 -5.190 15.460 0.688 1.00 0.00 C ATOM 870 C GLU A 55 -4.443 15.515 2.022 1.00 0.00 C ATOM 871 O GLU A 55 -3.399 14.857 2.142 1.00 0.00 O ATOM 872 CB GLU A 55 -5.276 16.849 0.051 1.00 0.00 C ATOM 873 CG GLU A 55 -4.411 16.928 -1.209 1.00 0.00 C ATOM 874 CD GLU A 55 -4.369 18.357 -1.755 1.00 0.00 C ATOM 875 OE1 GLU A 55 -4.468 19.284 -0.864 1.00 0.00 O ATOM 876 OE2 GLU A 55 -4.247 18.552 -2.974 1.00 0.00 O ATOM 0 H GLU A 55 -7.279 15.512 0.664 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.640 14.825 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.312 17.074 -0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.951 17.603 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.399 16.592 -0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.807 16.255 -1.970 1.00 0.00 H new ATOM 883 N ALA A 56 -4.984 16.286 2.983 1.00 0.00 N ATOM 884 CA ALA A 56 -4.372 16.423 4.294 1.00 0.00 C ATOM 885 C ALA A 56 -3.987 15.038 4.821 1.00 0.00 C ATOM 886 O ALA A 56 -2.792 14.806 5.049 1.00 0.00 O ATOM 887 CB ALA A 56 -5.396 16.987 5.283 1.00 0.00 C ATOM 0 H ALA A 56 -5.845 16.820 2.864 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.504 17.076 4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.935 17.089 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.735 17.964 4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.248 16.310 5.350 1.00 0.00 H new ATOM 893 N ALA A 57 -4.992 14.161 4.998 1.00 0.00 N ATOM 894 CA ALA A 57 -4.759 12.813 5.491 1.00 0.00 C ATOM 895 C ALA A 57 -3.568 12.203 4.752 1.00 0.00 C ATOM 896 O ALA A 57 -2.530 11.978 5.391 1.00 0.00 O ATOM 897 CB ALA A 57 -5.966 11.930 5.164 1.00 0.00 C ATOM 0 H ALA A 57 -5.971 14.373 4.803 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.583 12.864 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.789 10.920 5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.857 12.340 5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.113 11.900 4.084 1.00 0.00 H new ATOM 903 N THR A 58 -3.736 11.952 3.441 1.00 0.00 N ATOM 904 CA THR A 58 -2.680 11.373 2.626 1.00 0.00 C ATOM 905 C THR A 58 -1.371 12.118 2.891 1.00 0.00 C ATOM 906 O THR A 58 -0.305 11.495 2.781 1.00 0.00 O ATOM 907 CB THR A 58 -3.117 11.415 1.160 1.00 0.00 C ATOM 908 OG1 THR A 58 -2.507 10.264 0.584 1.00 0.00 O ATOM 909 CG2 THR A 58 -2.497 12.587 0.398 1.00 0.00 C ATOM 0 H THR A 58 -4.599 12.145 2.933 1.00 0.00 H new ATOM 0 HA THR A 58 -2.502 10.329 2.883 1.00 0.00 H new ATOM 0 HB THR A 58 -4.204 11.482 1.106 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.050 9.947 -0.168 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.840 12.570 -0.637 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.798 13.525 0.865 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.411 12.503 0.422 1.00 0.00 H new ATOM 917 N HIS A 59 -1.474 13.416 3.231 1.00 0.00 N ATOM 918 CA HIS A 59 -0.306 14.234 3.507 1.00 0.00 C ATOM 919 C HIS A 59 0.429 13.670 4.726 1.00 0.00 C ATOM 920 O HIS A 59 1.557 13.181 4.560 1.00 0.00 O ATOM 921 CB HIS A 59 -0.695 15.704 3.678 1.00 0.00 C ATOM 922 CG HIS A 59 0.289 16.674 3.068 1.00 0.00 C ATOM 923 ND1 HIS A 59 0.761 17.786 3.742 1.00 0.00 N ATOM 924 CD2 HIS A 59 0.885 16.686 1.840 1.00 0.00 C ATOM 925 CE1 HIS A 59 1.601 18.432 2.946 1.00 0.00 C ATOM 926 NE2 HIS A 59 1.676 17.749 1.768 1.00 0.00 N ATOM 0 H HIS A 59 -2.362 13.911 3.318 1.00 0.00 H new ATOM 0 HA HIS A 59 0.377 14.200 2.659 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.675 15.865 3.228 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.793 15.922 4.741 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.738 15.954 1.059 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.133 19.340 3.188 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.246 18.012 0.964 1.00 0.00 H new ATOM 934 N VAL A 60 -0.212 13.749 5.905 1.00 0.00 N ATOM 935 CA VAL A 60 0.377 13.249 7.136 1.00 0.00 C ATOM 936 C VAL A 60 0.844 11.808 6.926 1.00 0.00 C ATOM 937 O VAL A 60 1.949 11.474 7.378 1.00 0.00 O ATOM 938 CB VAL A 60 -0.620 13.393 8.289 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.406 12.299 9.337 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.531 14.783 8.921 1.00 0.00 C ATOM 0 H VAL A 60 -1.140 14.157 6.020 1.00 0.00 H new ATOM 0 HA VAL A 60 1.254 13.838 7.406 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.624 13.275 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.127 12.424 10.145 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.544 11.321 8.876 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.605 12.372 9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.250 14.858 9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.475 14.943 9.308 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.755 15.540 8.169 1.00 0.00 H new ATOM 950 N GLY A 61 0.009 10.997 6.254 1.00 0.00 N ATOM 951 CA GLY A 61 0.335 9.606 5.987 1.00 0.00 C ATOM 952 C GLY A 61 1.684 9.532 5.269 1.00 0.00 C ATOM 953 O GLY A 61 2.529 8.725 5.684 1.00 0.00 O ATOM 0 H GLY A 61 -0.897 11.292 5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.375 9.044 6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.442 9.150 5.374 1.00 0.00 H new ATOM 957 N LYS A 62 1.856 10.360 4.224 1.00 0.00 N ATOM 958 CA LYS A 62 3.090 10.388 3.458 1.00 0.00 C ATOM 959 C LYS A 62 4.267 10.631 4.405 1.00 0.00 C ATOM 960 O LYS A 62 5.355 10.096 4.143 1.00 0.00 O ATOM 961 CB LYS A 62 2.994 11.407 2.321 1.00 0.00 C ATOM 962 CG LYS A 62 4.364 12.008 2.006 1.00 0.00 C ATOM 963 CD LYS A 62 5.327 10.937 1.487 1.00 0.00 C ATOM 964 CE LYS A 62 6.703 11.075 2.142 1.00 0.00 C ATOM 965 NZ LYS A 62 7.691 11.562 1.166 1.00 0.00 N ATOM 0 H LYS A 62 1.146 11.017 3.899 1.00 0.00 H new ATOM 0 HA LYS A 62 3.261 9.425 2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.591 10.926 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.300 12.201 2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.256 12.797 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.777 12.470 2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.920 9.947 1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.425 11.024 0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.644 11.765 2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.021 10.112 2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.619 11.650 1.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.759 10.889 0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.394 12.491 0.805 1.00 0.00 H new ATOM 979 N GLN A 63 4.032 11.422 5.466 1.00 0.00 N ATOM 980 CA GLN A 63 5.066 11.732 6.440 1.00 0.00 C ATOM 981 C GLN A 63 5.333 10.499 7.305 1.00 0.00 C ATOM 982 O GLN A 63 6.503 10.248 7.629 1.00 0.00 O ATOM 983 CB GLN A 63 4.681 12.935 7.304 1.00 0.00 C ATOM 984 CG GLN A 63 5.384 14.205 6.820 1.00 0.00 C ATOM 985 CD GLN A 63 4.702 14.766 5.570 1.00 0.00 C ATOM 986 OE1 GLN A 63 3.377 14.827 5.659 1.00 0.00 O flip ATOM 987 NE2 GLN A 63 5.338 15.120 4.591 1.00 0.00 N flip ATOM 0 H GLN A 63 3.129 11.854 5.662 1.00 0.00 H new ATOM 0 HA GLN A 63 5.978 12.002 5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.601 13.079 7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.947 12.741 8.343 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.374 14.954 7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.429 13.986 6.601 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.355 15.046 4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.852 15.490 3.774 1.00 0.00 H new ATOM 996 N ILE A 64 4.261 9.765 7.654 1.00 0.00 N ATOM 997 CA ILE A 64 4.379 8.569 8.472 1.00 0.00 C ATOM 998 C ILE A 64 5.250 7.543 7.744 1.00 0.00 C ATOM 999 O ILE A 64 6.119 6.941 8.393 1.00 0.00 O ATOM 1000 CB ILE A 64 2.995 8.042 8.853 1.00 0.00 C ATOM 1001 CG1 ILE A 64 2.870 7.879 10.370 1.00 0.00 C ATOM 1002 CG2 ILE A 64 2.679 6.743 8.110 1.00 0.00 C ATOM 1003 CD1 ILE A 64 3.638 6.648 10.855 1.00 0.00 C ATOM 0 H ILE A 64 3.306 9.989 7.376 1.00 0.00 H new ATOM 0 HA ILE A 64 4.877 8.799 9.414 1.00 0.00 H new ATOM 0 HB ILE A 64 2.252 8.778 8.545 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.253 8.770 10.868 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.819 7.787 10.644 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.689 6.390 8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.700 6.924 7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.422 5.988 8.365 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.532 6.556 11.936 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.237 5.756 10.374 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.693 6.754 10.601 1.00 0.00 H new ATOM 1015 N VAL A 65 5.005 7.366 6.434 1.00 0.00 N ATOM 1016 CA VAL A 65 5.761 6.421 5.630 1.00 0.00 C ATOM 1017 C VAL A 65 7.215 6.887 5.534 1.00 0.00 C ATOM 1018 O VAL A 65 8.114 6.072 5.786 1.00 0.00 O ATOM 1019 CB VAL A 65 5.097 6.249 4.262 1.00 0.00 C ATOM 1020 CG1 VAL A 65 5.992 5.449 3.314 1.00 0.00 C ATOM 1021 CG2 VAL A 65 3.720 5.595 4.399 1.00 0.00 C ATOM 0 H VAL A 65 4.285 7.872 5.919 1.00 0.00 H new ATOM 0 HA VAL A 65 5.765 5.438 6.101 1.00 0.00 H new ATOM 0 HB VAL A 65 4.956 7.240 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.496 5.342 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.939 5.972 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.180 4.462 3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.270 5.484 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.828 4.614 4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.080 6.221 5.021 1.00 0.00 H new ATOM 1031 N GLU A 66 7.413 8.169 5.179 1.00 0.00 N ATOM 1032 CA GLU A 66 8.746 8.735 5.053 1.00 0.00 C ATOM 1033 C GLU A 66 9.487 8.586 6.384 1.00 0.00 C ATOM 1034 O GLU A 66 10.723 8.485 6.361 1.00 0.00 O ATOM 1035 CB GLU A 66 8.694 10.201 4.616 1.00 0.00 C ATOM 1036 CG GLU A 66 9.246 11.119 5.709 1.00 0.00 C ATOM 1037 CD GLU A 66 9.214 12.582 5.264 1.00 0.00 C ATOM 1038 OE1 GLU A 66 9.979 12.866 4.265 1.00 0.00 O ATOM 1039 OE2 GLU A 66 8.488 13.394 5.857 1.00 0.00 O ATOM 0 H GLU A 66 6.658 8.825 4.976 1.00 0.00 H new ATOM 0 HA GLU A 66 9.285 8.191 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.271 10.332 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.665 10.480 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.659 10.999 6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.269 10.830 5.949 1.00 0.00 H new ATOM 1046 N LYS A 67 8.731 8.574 7.495 1.00 0.00 N ATOM 1047 CA LYS A 67 9.313 8.438 8.820 1.00 0.00 C ATOM 1048 C LYS A 67 9.869 7.022 8.985 1.00 0.00 C ATOM 1049 O LYS A 67 10.936 6.875 9.598 1.00 0.00 O ATOM 1050 CB LYS A 67 8.297 8.829 9.895 1.00 0.00 C ATOM 1051 CG LYS A 67 8.813 8.480 11.292 1.00 0.00 C ATOM 1052 CD LYS A 67 7.694 8.573 12.330 1.00 0.00 C ATOM 1053 CE LYS A 67 8.244 9.005 13.692 1.00 0.00 C ATOM 1054 NZ LYS A 67 9.115 7.958 14.251 1.00 0.00 N ATOM 0 H LYS A 67 7.714 8.658 7.490 1.00 0.00 H new ATOM 0 HA LYS A 67 10.150 9.126 8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.093 9.898 9.836 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.354 8.314 9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.228 7.472 11.289 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.623 9.157 11.564 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.941 9.286 11.995 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.199 7.607 12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.804 9.934 13.587 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.420 9.205 14.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.480 8.267 15.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.570 7.080 14.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.911 7.787 13.604 1.00 0.00 H new ATOM 1068 N ILE A 68 9.146 6.024 8.445 1.00 0.00 N ATOM 1069 CA ILE A 68 9.565 4.636 8.532 1.00 0.00 C ATOM 1070 C ILE A 68 10.683 4.380 7.520 1.00 0.00 C ATOM 1071 O ILE A 68 11.522 3.504 7.778 1.00 0.00 O ATOM 1072 CB ILE A 68 8.362 3.702 8.370 1.00 0.00 C ATOM 1073 CG1 ILE A 68 7.906 3.157 9.724 1.00 0.00 C ATOM 1074 CG2 ILE A 68 8.668 2.583 7.373 1.00 0.00 C ATOM 1075 CD1 ILE A 68 6.378 3.138 9.821 1.00 0.00 C ATOM 0 H ILE A 68 8.268 6.166 7.945 1.00 0.00 H new ATOM 0 HA ILE A 68 9.974 4.423 9.519 1.00 0.00 H new ATOM 0 HB ILE A 68 7.533 4.279 7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 68 8.295 2.149 9.864 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.317 3.772 10.525 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.798 1.934 7.276 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.907 3.016 6.402 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.517 2.000 7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.080 2.746 10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.993 4.151 9.705 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.971 2.503 9.034 1.00 0.00 H new ATOM 1087 N LEU A 69 10.672 5.136 6.408 1.00 0.00 N ATOM 1088 CA LEU A 69 11.679 4.992 5.370 1.00 0.00 C ATOM 1089 C LEU A 69 13.009 5.557 5.872 1.00 0.00 C ATOM 1090 O LEU A 69 14.051 4.942 5.601 1.00 0.00 O ATOM 1091 CB LEU A 69 11.195 5.625 4.063 1.00 0.00 C ATOM 1092 CG LEU A 69 10.012 4.936 3.381 1.00 0.00 C ATOM 1093 CD1 LEU A 69 9.933 5.318 1.902 1.00 0.00 C ATOM 1094 CD2 LEU A 69 10.072 3.420 3.580 1.00 0.00 C ATOM 0 H LEU A 69 9.971 5.851 6.215 1.00 0.00 H new ATOM 0 HA LEU A 69 11.846 3.939 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.920 6.660 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.030 5.647 3.362 1.00 0.00 H new ATOM 0 HG LEU A 69 9.094 5.286 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.083 4.814 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.808 6.397 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.851 5.015 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.220 2.954 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.996 3.033 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.043 3.191 4.645 1.00 0.00 H new ATOM 1106 N LYS A 70 12.949 6.699 6.581 1.00 0.00 N ATOM 1107 CA LYS A 70 14.139 7.339 7.114 1.00 0.00 C ATOM 1108 C LYS A 70 14.863 6.364 8.044 1.00 0.00 C ATOM 1109 O LYS A 70 16.081 6.516 8.224 1.00 0.00 O ATOM 1110 CB LYS A 70 13.781 8.670 7.776 1.00 0.00 C ATOM 1111 CG LYS A 70 13.166 8.447 9.159 1.00 0.00 C ATOM 1112 CD LYS A 70 13.992 9.139 10.246 1.00 0.00 C ATOM 1113 CE LYS A 70 15.398 8.542 10.328 1.00 0.00 C ATOM 1114 NZ LYS A 70 15.352 7.193 10.914 1.00 0.00 N ATOM 0 H LYS A 70 12.080 7.190 6.792 1.00 0.00 H new ATOM 0 HA LYS A 70 14.831 7.587 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.675 9.287 7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.079 9.216 7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.146 8.831 9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.108 7.379 9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.058 10.206 10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.492 9.036 11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.839 8.497 9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.038 9.185 10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.063 6.590 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.553 7.250 11.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.407 6.784 10.770 1.00 0.00 H new ATOM 1128 N GLU A 71 14.114 5.398 8.606 1.00 0.00 N ATOM 1129 CA GLU A 71 14.682 4.410 9.507 1.00 0.00 C ATOM 1130 C GLU A 71 15.335 3.295 8.689 1.00 0.00 C ATOM 1131 O GLU A 71 16.178 2.574 9.242 1.00 0.00 O ATOM 1132 CB GLU A 71 13.626 3.845 10.459 1.00 0.00 C ATOM 1133 CG GLU A 71 12.409 4.769 10.538 1.00 0.00 C ATOM 1134 CD GLU A 71 11.381 4.238 11.540 1.00 0.00 C ATOM 1135 OE1 GLU A 71 11.249 3.017 11.704 1.00 0.00 O ATOM 1136 OE2 GLU A 71 10.707 5.146 12.162 1.00 0.00 O ATOM 0 H GLU A 71 13.113 5.291 8.444 1.00 0.00 H new ATOM 0 HA GLU A 71 15.439 4.894 10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.316 2.857 10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.057 3.719 11.452 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.726 5.769 10.833 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.950 4.857 9.553 1.00 0.00 H new ATOM 1199 N SER B 3 4.505 -9.567 -17.713 1.00 0.00 N ATOM 1200 CA SER B 3 4.809 -8.183 -18.036 1.00 0.00 C ATOM 1201 C SER B 3 4.308 -7.278 -16.909 1.00 0.00 C ATOM 1202 O SER B 3 5.052 -7.082 -15.935 1.00 0.00 O ATOM 1203 CB SER B 3 4.181 -7.768 -19.367 1.00 0.00 C ATOM 1204 OG SER B 3 5.090 -7.918 -20.456 1.00 0.00 O ATOM 0 HA SER B 3 5.890 -8.081 -18.137 1.00 0.00 H new ATOM 0 HB2 SER B 3 3.291 -8.370 -19.552 1.00 0.00 H new ATOM 0 HB3 SER B 3 3.856 -6.729 -19.306 1.00 0.00 H new ATOM 0 HG SER B 3 4.651 -7.644 -21.288 1.00 0.00 H new ATOM 1210 N ASN B 4 3.079 -6.754 -17.058 1.00 0.00 N ATOM 1211 CA ASN B 4 2.488 -5.880 -16.060 1.00 0.00 C ATOM 1212 C ASN B 4 2.101 -6.704 -14.830 1.00 0.00 C ATOM 1213 O ASN B 4 1.850 -6.106 -13.773 1.00 0.00 O ATOM 1214 CB ASN B 4 1.222 -5.207 -16.596 1.00 0.00 C ATOM 1215 CG ASN B 4 1.378 -3.685 -16.622 1.00 0.00 C ATOM 1216 OD1 ASN B 4 2.471 -3.146 -16.559 1.00 0.00 O ATOM 1217 ND2 ASN B 4 0.228 -3.025 -16.718 1.00 0.00 N ATOM 0 H ASN B 4 2.483 -6.928 -17.867 1.00 0.00 H new ATOM 0 HA ASN B 4 3.222 -5.116 -15.805 1.00 0.00 H new ATOM 0 HB2 ASN B 4 1.010 -5.571 -17.601 1.00 0.00 H new ATOM 0 HB3 ASN B 4 0.370 -5.478 -15.972 1.00 0.00 H new ATOM 0 HD21 ASN B 4 0.226 -2.005 -16.743 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.652 -3.538 -16.767 1.00 0.00 H new ATOM 1224 N THR B 5 2.060 -8.039 -14.989 1.00 0.00 N ATOM 1225 CA THR B 5 1.707 -8.933 -13.900 1.00 0.00 C ATOM 1226 C THR B 5 2.834 -8.940 -12.865 1.00 0.00 C ATOM 1227 O THR B 5 2.560 -8.638 -11.694 1.00 0.00 O ATOM 1228 CB THR B 5 1.409 -10.318 -14.481 1.00 0.00 C ATOM 1229 OG1 THR B 5 0.464 -10.063 -15.517 1.00 0.00 O ATOM 1230 CG2 THR B 5 0.654 -11.215 -13.499 1.00 0.00 C ATOM 0 H THR B 5 2.270 -8.512 -15.868 1.00 0.00 H new ATOM 0 HA THR B 5 0.809 -8.597 -13.382 1.00 0.00 H new ATOM 0 HB THR B 5 2.343 -10.801 -14.767 1.00 0.00 H new ATOM 0 HG1 THR B 5 -0.097 -9.299 -15.267 1.00 0.00 H new ATOM 0 HG21 THR B 5 0.468 -12.185 -13.961 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.251 -11.351 -12.597 1.00 0.00 H new ATOM 0 HG23 THR B 5 -0.296 -10.749 -13.238 1.00 0.00 H new ATOM 1238 N VAL B 6 4.058 -9.276 -13.309 1.00 0.00 N ATOM 1239 CA VAL B 6 5.212 -9.319 -12.427 1.00 0.00 C ATOM 1240 C VAL B 6 5.331 -7.987 -11.684 1.00 0.00 C ATOM 1241 O VAL B 6 5.569 -8.008 -10.468 1.00 0.00 O ATOM 1242 CB VAL B 6 6.468 -9.673 -13.226 1.00 0.00 C ATOM 1243 CG1 VAL B 6 6.564 -11.182 -13.456 1.00 0.00 C ATOM 1244 CG2 VAL B 6 6.506 -8.913 -14.553 1.00 0.00 C ATOM 0 H VAL B 6 4.262 -9.520 -14.278 1.00 0.00 H new ATOM 0 HA VAL B 6 5.090 -10.100 -11.676 1.00 0.00 H new ATOM 0 HB VAL B 6 7.335 -9.367 -12.640 1.00 0.00 H new ATOM 0 HG11 VAL B 6 7.465 -11.407 -14.026 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.605 -11.695 -12.495 1.00 0.00 H new ATOM 0 HG13 VAL B 6 5.690 -11.522 -14.011 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.409 -9.183 -15.101 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.630 -9.173 -15.147 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.507 -7.841 -14.358 1.00 0.00 H new ATOM 1254 N SER B 7 5.167 -6.871 -12.418 1.00 0.00 N ATOM 1255 CA SER B 7 5.255 -5.545 -11.833 1.00 0.00 C ATOM 1256 C SER B 7 4.361 -5.478 -10.593 1.00 0.00 C ATOM 1257 O SER B 7 4.876 -5.161 -9.511 1.00 0.00 O ATOM 1258 CB SER B 7 4.852 -4.462 -12.836 1.00 0.00 C ATOM 1259 OG SER B 7 4.921 -3.156 -12.269 1.00 0.00 O ATOM 0 H SER B 7 4.973 -6.875 -13.419 1.00 0.00 H new ATOM 0 HA SER B 7 6.291 -5.361 -11.550 1.00 0.00 H new ATOM 0 HB2 SER B 7 5.505 -4.514 -13.707 1.00 0.00 H new ATOM 0 HB3 SER B 7 3.837 -4.652 -13.186 1.00 0.00 H new ATOM 0 HG SER B 7 4.139 -2.636 -12.549 1.00 0.00 H new ATOM 1265 N SER B 8 3.061 -5.773 -10.772 1.00 0.00 N ATOM 1266 CA SER B 8 2.108 -5.747 -9.675 1.00 0.00 C ATOM 1267 C SER B 8 2.630 -6.617 -8.530 1.00 0.00 C ATOM 1268 O SER B 8 2.447 -6.232 -7.366 1.00 0.00 O ATOM 1269 CB SER B 8 0.727 -6.229 -10.122 1.00 0.00 C ATOM 1270 OG SER B 8 -0.070 -6.661 -9.022 1.00 0.00 O ATOM 0 H SER B 8 2.657 -6.031 -11.672 1.00 0.00 H new ATOM 0 HA SER B 8 2.001 -4.717 -9.334 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.214 -5.423 -10.647 1.00 0.00 H new ATOM 0 HB3 SER B 8 0.841 -7.049 -10.831 1.00 0.00 H new ATOM 0 HG SER B 8 -0.148 -5.934 -8.369 1.00 0.00 H new ATOM 1276 N PHE B 9 3.257 -7.755 -8.877 1.00 0.00 N ATOM 1277 CA PHE B 9 3.798 -8.668 -7.885 1.00 0.00 C ATOM 1278 C PHE B 9 4.788 -7.917 -6.992 1.00 0.00 C ATOM 1279 O PHE B 9 4.563 -7.866 -5.775 1.00 0.00 O ATOM 1280 CB PHE B 9 4.492 -9.843 -8.602 1.00 0.00 C ATOM 1281 CG PHE B 9 4.085 -11.222 -8.102 1.00 0.00 C ATOM 1282 CD1 PHE B 9 2.773 -11.704 -8.321 1.00 0.00 C ATOM 1283 CD2 PHE B 9 5.018 -12.028 -7.408 1.00 0.00 C ATOM 1284 CE1 PHE B 9 2.399 -12.981 -7.852 1.00 0.00 C ATOM 1285 CE2 PHE B 9 4.642 -13.304 -6.939 1.00 0.00 C ATOM 1286 CZ PHE B 9 3.333 -13.781 -7.161 1.00 0.00 C ATOM 0 H PHE B 9 3.396 -8.054 -9.842 1.00 0.00 H new ATOM 0 HA PHE B 9 2.996 -9.063 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE B 9 4.275 -9.779 -9.668 1.00 0.00 H new ATOM 0 HB3 PHE B 9 5.571 -9.734 -8.489 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.056 -11.093 -8.849 1.00 0.00 H new ATOM 0 HD2 PHE B 9 6.021 -11.665 -7.237 1.00 0.00 H new ATOM 0 HE1 PHE B 9 1.397 -13.346 -8.022 1.00 0.00 H new ATOM 0 HE2 PHE B 9 5.357 -13.916 -6.409 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.046 -14.758 -6.802 1.00 0.00 H new ATOM 1296 N GLN B 10 5.847 -7.358 -7.605 1.00 0.00 N ATOM 1297 CA GLN B 10 6.859 -6.618 -6.870 1.00 0.00 C ATOM 1298 C GLN B 10 6.176 -5.587 -5.969 1.00 0.00 C ATOM 1299 O GLN B 10 6.445 -5.592 -4.758 1.00 0.00 O ATOM 1300 CB GLN B 10 7.858 -5.944 -7.814 1.00 0.00 C ATOM 1301 CG GLN B 10 8.962 -6.919 -8.228 1.00 0.00 C ATOM 1302 CD GLN B 10 9.076 -7.000 -9.752 1.00 0.00 C ATOM 1303 OE1 GLN B 10 8.869 -6.034 -10.469 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.418 -8.202 -10.206 1.00 0.00 N ATOM 0 H GLN B 10 6.014 -7.411 -8.610 1.00 0.00 H new ATOM 0 HA GLN B 10 7.425 -7.317 -6.254 1.00 0.00 H new ATOM 0 HB2 GLN B 10 7.338 -5.580 -8.700 1.00 0.00 H new ATOM 0 HB3 GLN B 10 8.299 -5.076 -7.324 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.914 -6.598 -7.805 1.00 0.00 H new ATOM 0 HG3 GLN B 10 8.750 -7.908 -7.822 1.00 0.00 H new ATOM 0 HE21 GLN B 10 9.577 -8.968 -9.552 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.522 -8.358 -11.209 1.00 0.00 H new ATOM 1313 N VAL B 11 5.320 -4.737 -6.566 1.00 0.00 N ATOM 1314 CA VAL B 11 4.608 -3.712 -5.821 1.00 0.00 C ATOM 1315 C VAL B 11 3.969 -4.340 -4.581 1.00 0.00 C ATOM 1316 O VAL B 11 4.332 -3.944 -3.464 1.00 0.00 O ATOM 1317 CB VAL B 11 3.593 -3.017 -6.730 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.688 -2.080 -5.925 1.00 0.00 C ATOM 1319 CG2 VAL B 11 4.296 -2.262 -7.860 1.00 0.00 C ATOM 0 H VAL B 11 5.112 -4.750 -7.565 1.00 0.00 H new ATOM 0 HA VAL B 11 5.297 -2.941 -5.476 1.00 0.00 H new ATOM 0 HB VAL B 11 2.965 -3.786 -7.180 1.00 0.00 H new ATOM 0 HG11 VAL B 11 1.975 -1.598 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL B 11 2.148 -2.654 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL B 11 3.296 -1.320 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.552 -1.777 -8.492 1.00 0.00 H new ATOM 0 HG22 VAL B 11 4.959 -1.508 -7.436 1.00 0.00 H new ATOM 0 HG23 VAL B 11 4.879 -2.963 -8.458 1.00 0.00 H new ATOM 1329 N ASP B 12 3.044 -5.293 -4.797 1.00 0.00 N ATOM 1330 CA ASP B 12 2.362 -5.967 -3.706 1.00 0.00 C ATOM 1331 C ASP B 12 3.361 -6.243 -2.579 1.00 0.00 C ATOM 1332 O ASP B 12 3.103 -5.816 -1.445 1.00 0.00 O ATOM 1333 CB ASP B 12 1.782 -7.307 -4.162 1.00 0.00 C ATOM 1334 CG ASP B 12 0.518 -7.750 -3.423 1.00 0.00 C ATOM 1335 OD1 ASP B 12 0.055 -7.077 -2.490 1.00 0.00 O ATOM 1336 OD2 ASP B 12 -0.003 -8.851 -3.846 1.00 0.00 O ATOM 0 H ASP B 12 2.759 -5.606 -5.725 1.00 0.00 H new ATOM 0 HA ASP B 12 1.553 -5.322 -3.365 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.559 -7.246 -5.227 1.00 0.00 H new ATOM 0 HB3 ASP B 12 2.545 -8.076 -4.040 1.00 0.00 H new ATOM 1341 N CYS B 13 4.463 -6.940 -2.910 1.00 0.00 N ATOM 1342 CA CYS B 13 5.488 -7.267 -1.933 1.00 0.00 C ATOM 1343 C CYS B 13 5.838 -6.015 -1.128 1.00 0.00 C ATOM 1344 O CYS B 13 5.722 -6.055 0.105 1.00 0.00 O ATOM 1345 CB CYS B 13 6.719 -7.874 -2.609 1.00 0.00 C ATOM 1346 SG CYS B 13 7.047 -9.609 -2.179 1.00 0.00 S ATOM 0 H CYS B 13 4.656 -7.283 -3.851 1.00 0.00 H new ATOM 0 HA CYS B 13 5.105 -8.022 -1.247 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.597 -7.799 -3.690 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.592 -7.278 -2.345 1.00 0.00 H new ATOM 0 HG CYS B 13 8.315 -9.764 -1.938 1.00 0.00 H new ATOM 1352 N PHE B 14 6.253 -4.945 -1.830 1.00 0.00 N ATOM 1353 CA PHE B 14 6.615 -3.694 -1.183 1.00 0.00 C ATOM 1354 C PHE B 14 5.501 -3.281 -0.221 1.00 0.00 C ATOM 1355 O PHE B 14 5.808 -2.980 0.942 1.00 0.00 O ATOM 1356 CB PHE B 14 6.838 -2.613 -2.259 1.00 0.00 C ATOM 1357 CG PHE B 14 7.344 -1.280 -1.725 1.00 0.00 C ATOM 1358 CD1 PHE B 14 8.673 -1.163 -1.255 1.00 0.00 C ATOM 1359 CD2 PHE B 14 6.492 -0.151 -1.699 1.00 0.00 C ATOM 1360 CE1 PHE B 14 9.145 0.072 -0.764 1.00 0.00 C ATOM 1361 CE2 PHE B 14 6.967 1.084 -1.208 1.00 0.00 C ATOM 1362 CZ PHE B 14 8.293 1.196 -0.739 1.00 0.00 C ATOM 0 H PHE B 14 6.342 -4.933 -2.846 1.00 0.00 H new ATOM 0 HA PHE B 14 7.537 -3.817 -0.615 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.552 -2.990 -2.991 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.899 -2.445 -2.786 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.328 -2.022 -1.272 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.476 -0.234 -2.056 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.161 0.157 -0.407 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.315 1.945 -1.191 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.655 2.141 -0.361 1.00 0.00 H new ATOM 1372 N LEU B 15 4.250 -3.273 -0.715 1.00 0.00 N ATOM 1373 CA LEU B 15 3.104 -2.900 0.096 1.00 0.00 C ATOM 1374 C LEU B 15 3.089 -3.746 1.371 1.00 0.00 C ATOM 1375 O LEU B 15 2.755 -3.204 2.435 1.00 0.00 O ATOM 1376 CB LEU B 15 1.815 -2.997 -0.721 1.00 0.00 C ATOM 1377 CG LEU B 15 1.791 -2.211 -2.034 1.00 0.00 C ATOM 1378 CD1 LEU B 15 0.381 -2.174 -2.626 1.00 0.00 C ATOM 1379 CD2 LEU B 15 2.370 -0.808 -1.843 1.00 0.00 C ATOM 0 H LEU B 15 4.019 -3.523 -1.676 1.00 0.00 H new ATOM 0 HA LEU B 15 3.180 -1.858 0.406 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.629 -4.047 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.988 -2.653 -0.100 1.00 0.00 H new ATOM 0 HG LEU B 15 2.428 -2.727 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.393 -1.609 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.042 -3.191 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.298 -1.695 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.341 -0.270 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.780 -0.269 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.402 -0.884 -1.500 1.00 0.00 H new ATOM 1391 N TRP B 16 3.445 -5.037 1.241 1.00 0.00 N ATOM 1392 CA TRP B 16 3.473 -5.945 2.374 1.00 0.00 C ATOM 1393 C TRP B 16 4.552 -5.492 3.359 1.00 0.00 C ATOM 1394 O TRP B 16 4.293 -5.517 4.572 1.00 0.00 O ATOM 1395 CB TRP B 16 3.666 -7.385 1.894 1.00 0.00 C ATOM 1396 CG TRP B 16 3.502 -8.435 2.995 1.00 0.00 C ATOM 1397 CD1 TRP B 16 2.385 -9.080 3.360 1.00 0.00 C ATOM 1398 CD2 TRP B 16 4.538 -8.940 3.863 1.00 0.00 C ATOM 1399 NE1 TRP B 16 2.625 -9.959 4.397 1.00 0.00 N ATOM 1400 CE2 TRP B 16 3.976 -9.871 4.712 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.906 -8.621 3.930 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 4.707 -10.559 5.688 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 6.623 -9.316 4.910 1.00 0.00 C ATOM 1404 CH2 TRP B 16 6.072 -10.257 5.772 1.00 0.00 C ATOM 0 H TRP B 16 3.716 -5.464 0.355 1.00 0.00 H new ATOM 0 HA TRP B 16 2.520 -5.922 2.902 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.949 -7.591 1.099 1.00 0.00 H new ATOM 0 HB3 TRP B 16 4.661 -7.482 1.459 1.00 0.00 H new ATOM 0 HD1 TRP B 16 1.419 -8.931 2.901 1.00 0.00 H new ATOM 0 HE1 TRP B 16 1.938 -10.562 4.849 1.00 0.00 H new ATOM 0 HE3 TRP B 16 6.367 -7.896 3.276 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 4.243 -11.284 6.341 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 7.678 -9.107 5.003 1.00 0.00 H new ATOM 0 HH2 TRP B 16 6.693 -10.753 6.503 1.00 0.00 H new ATOM 1415 N HIS B 17 5.723 -5.095 2.829 1.00 0.00 N ATOM 1416 CA HIS B 17 6.828 -4.643 3.656 1.00 0.00 C ATOM 1417 C HIS B 17 6.398 -3.404 4.443 1.00 0.00 C ATOM 1418 O HIS B 17 6.513 -3.420 5.678 1.00 0.00 O ATOM 1419 CB HIS B 17 8.082 -4.403 2.811 1.00 0.00 C ATOM 1420 CG HIS B 17 8.822 -5.664 2.437 1.00 0.00 C ATOM 1421 ND1 HIS B 17 8.456 -6.709 1.641 1.00 0.00 N flip ATOM 1422 CD2 HIS B 17 10.093 -5.953 2.902 1.00 0.00 C flip ATOM 1423 CE1 HIS B 17 9.450 -7.588 1.618 1.00 0.00 C flip ATOM 1424 NE2 HIS B 17 10.466 -7.121 2.399 1.00 0.00 N flip ATOM 0 H HIS B 17 5.917 -5.083 1.828 1.00 0.00 H new ATOM 0 HA HIS B 17 7.092 -5.419 4.374 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.798 -3.877 1.900 1.00 0.00 H new ATOM 0 HB3 HIS B 17 8.757 -3.747 3.360 1.00 0.00 H new ATOM 0 HD2 HIS B 17 10.681 -5.332 3.562 1.00 0.00 H new ATOM 0 HE1 HIS B 17 9.454 -8.519 1.071 1.00 0.00 H new ATOM 0 HE2 HIS B 17 11.357 -7.589 2.567 1.00 0.00 H new ATOM 1432 N VAL B 18 5.918 -2.372 3.726 1.00 0.00 N ATOM 1433 CA VAL B 18 5.475 -1.139 4.355 1.00 0.00 C ATOM 1434 C VAL B 18 4.387 -1.457 5.382 1.00 0.00 C ATOM 1435 O VAL B 18 4.337 -0.775 6.417 1.00 0.00 O ATOM 1436 CB VAL B 18 5.014 -0.144 3.286 1.00 0.00 C ATOM 1437 CG1 VAL B 18 6.194 0.331 2.435 1.00 0.00 C ATOM 1438 CG2 VAL B 18 3.915 -0.750 2.411 1.00 0.00 C ATOM 0 H VAL B 18 5.831 -2.379 2.710 1.00 0.00 H new ATOM 0 HA VAL B 18 6.299 -0.666 4.890 1.00 0.00 H new ATOM 0 HB VAL B 18 4.596 0.725 3.794 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.840 1.037 1.683 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.930 0.820 3.074 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.654 -0.525 1.941 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.605 -0.023 1.660 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.295 -1.643 1.916 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.060 -1.016 3.033 1.00 0.00 H new ATOM 1448 N ARG B 19 3.554 -2.469 5.085 1.00 0.00 N ATOM 1449 CA ARG B 19 2.481 -2.871 5.978 1.00 0.00 C ATOM 1450 C ARG B 19 3.079 -3.482 7.246 1.00 0.00 C ATOM 1451 O ARG B 19 2.659 -3.091 8.344 1.00 0.00 O ATOM 1452 CB ARG B 19 1.551 -3.892 5.317 1.00 0.00 C ATOM 1453 CG ARG B 19 0.481 -3.195 4.475 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.385 -4.217 3.734 1.00 0.00 C ATOM 1455 NE ARG B 19 -1.007 -3.588 2.549 1.00 0.00 N ATOM 1456 CZ ARG B 19 -2.281 -3.805 2.156 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -3.047 -4.640 2.872 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -2.771 -3.195 1.069 1.00 0.00 N ATOM 0 H ARG B 19 3.613 -3.018 4.228 1.00 0.00 H new ATOM 0 HA ARG B 19 1.895 -1.985 6.222 1.00 0.00 H new ATOM 0 HB2 ARG B 19 2.133 -4.565 4.687 1.00 0.00 H new ATOM 0 HB3 ARG B 19 1.075 -4.504 6.083 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.147 -2.578 5.117 1.00 0.00 H new ATOM 0 HG3 ARG B 19 0.956 -2.527 3.757 1.00 0.00 H new ATOM 0 HD2 ARG B 19 0.224 -5.067 3.427 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -1.158 -4.602 4.399 1.00 0.00 H new ATOM 0 HE ARG B 19 -0.438 -2.950 1.993 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -2.666 -5.100 3.699 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -4.011 -4.816 2.590 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -2.181 -2.561 0.531 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -3.734 -3.365 0.780 1.00 0.00 H new ATOM 1472 N LYS B 20 4.034 -4.414 7.073 1.00 0.00 N ATOM 1473 CA LYS B 20 4.681 -5.070 8.196 1.00 0.00 C ATOM 1474 C LYS B 20 5.257 -4.011 9.138 1.00 0.00 C ATOM 1475 O LYS B 20 5.207 -4.217 10.359 1.00 0.00 O ATOM 1476 CB LYS B 20 5.718 -6.080 7.701 1.00 0.00 C ATOM 1477 CG LYS B 20 7.120 -5.712 8.190 1.00 0.00 C ATOM 1478 CD LYS B 20 7.322 -6.138 9.646 1.00 0.00 C ATOM 1479 CE LYS B 20 8.293 -5.197 10.363 1.00 0.00 C ATOM 1480 NZ LYS B 20 9.681 -5.656 10.186 1.00 0.00 N ATOM 0 H LYS B 20 4.367 -4.722 6.159 1.00 0.00 H new ATOM 0 HA LYS B 20 3.955 -5.647 8.769 1.00 0.00 H new ATOM 0 HB2 LYS B 20 5.456 -7.078 8.054 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.706 -6.114 6.612 1.00 0.00 H new ATOM 0 HG2 LYS B 20 7.867 -6.194 7.559 1.00 0.00 H new ATOM 0 HG3 LYS B 20 7.271 -4.636 8.098 1.00 0.00 H new ATOM 0 HD2 LYS B 20 6.363 -6.141 10.164 1.00 0.00 H new ATOM 0 HD3 LYS B 20 7.706 -7.158 9.680 1.00 0.00 H new ATOM 0 HE2 LYS B 20 8.185 -4.186 9.971 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.050 -5.154 11.425 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 10.327 -5.007 10.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 9.783 -6.612 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 9.914 -5.674 9.173 1.00 0.00 H new ATOM 1494 N GLN B 21 5.782 -2.915 8.562 1.00 0.00 N ATOM 1495 CA GLN B 21 6.360 -1.836 9.345 1.00 0.00 C ATOM 1496 C GLN B 21 5.236 -1.000 9.963 1.00 0.00 C ATOM 1497 O GLN B 21 5.435 -0.466 11.063 1.00 0.00 O ATOM 1498 CB GLN B 21 7.290 -0.963 8.499 1.00 0.00 C ATOM 1499 CG GLN B 21 8.754 -1.200 8.874 1.00 0.00 C ATOM 1500 CD GLN B 21 9.465 -2.035 7.805 1.00 0.00 C ATOM 1501 OE1 GLN B 21 8.692 -2.956 7.237 1.00 0.00 O flip ATOM 1502 NE2 GLN B 21 10.636 -1.855 7.516 1.00 0.00 N flip ATOM 0 H GLN B 21 5.812 -2.764 7.554 1.00 0.00 H new ATOM 0 HA GLN B 21 6.966 -2.268 10.141 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.141 -1.184 7.442 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.039 0.088 8.643 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.263 -0.243 8.991 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.809 -1.710 9.836 1.00 0.00 H new ATOM 0 HE21 GLN B 21 11.173 -1.130 7.991 1.00 0.00 H new ATOM 0 HE22 GLN B 21 11.078 -2.430 6.799 1.00 0.00 H new ATOM 1511 N VAL B 22 4.097 -0.907 9.254 1.00 0.00 N ATOM 1512 CA VAL B 22 2.955 -0.144 9.730 1.00 0.00 C ATOM 1513 C VAL B 22 2.484 -0.719 11.066 1.00 0.00 C ATOM 1514 O VAL B 22 2.269 0.066 12.003 1.00 0.00 O ATOM 1515 CB VAL B 22 1.856 -0.130 8.665 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.499 -0.492 9.273 1.00 0.00 C ATOM 1517 CG2 VAL B 22 1.795 1.226 7.958 1.00 0.00 C ATOM 0 H VAL B 22 3.954 -1.356 8.349 1.00 0.00 H new ATOM 0 HA VAL B 22 3.235 0.895 9.904 1.00 0.00 H new ATOM 0 HB VAL B 22 2.102 -0.886 7.920 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.264 -0.475 8.495 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.550 -1.490 9.709 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.243 0.230 10.048 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.006 1.209 7.206 1.00 0.00 H new ATOM 0 HG22 VAL B 22 1.584 2.008 8.688 1.00 0.00 H new ATOM 0 HG23 VAL B 22 2.751 1.428 7.476 1.00 0.00 H new ATOM 1527 N VAL B 23 2.336 -2.054 11.130 1.00 0.00 N ATOM 1528 CA VAL B 23 1.896 -2.725 12.342 1.00 0.00 C ATOM 1529 C VAL B 23 3.041 -2.740 13.355 1.00 0.00 C ATOM 1530 O VAL B 23 2.779 -2.503 14.544 1.00 0.00 O ATOM 1531 CB VAL B 23 1.374 -4.123 12.006 1.00 0.00 C ATOM 1532 CG1 VAL B 23 0.707 -4.766 13.223 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.416 -4.080 10.814 1.00 0.00 C ATOM 0 H VAL B 23 2.518 -2.682 10.347 1.00 0.00 H new ATOM 0 HA VAL B 23 1.066 -2.185 12.799 1.00 0.00 H new ATOM 0 HB VAL B 23 2.228 -4.741 11.726 1.00 0.00 H new ATOM 0 HG11 VAL B 23 0.345 -5.759 12.957 1.00 0.00 H new ATOM 0 HG12 VAL B 23 1.431 -4.849 14.033 1.00 0.00 H new ATOM 0 HG13 VAL B 23 -0.131 -4.149 13.547 1.00 0.00 H new ATOM 0 HG21 VAL B 23 0.060 -5.087 10.597 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.433 -3.439 11.052 1.00 0.00 H new ATOM 0 HG23 VAL B 23 0.937 -3.683 9.943 1.00 0.00 H new ATOM 1543 N ASP B 24 4.267 -3.014 12.875 1.00 0.00 N ATOM 1544 CA ASP B 24 5.438 -3.059 13.734 1.00 0.00 C ATOM 1545 C ASP B 24 5.606 -1.707 14.431 1.00 0.00 C ATOM 1546 O ASP B 24 6.151 -1.682 15.545 1.00 0.00 O ATOM 1547 CB ASP B 24 6.705 -3.333 12.922 1.00 0.00 C ATOM 1548 CG ASP B 24 7.994 -3.416 13.743 1.00 0.00 C ATOM 1549 OD1 ASP B 24 8.590 -2.288 13.936 1.00 0.00 O ATOM 1550 OD2 ASP B 24 8.407 -4.502 14.177 1.00 0.00 O ATOM 0 H ASP B 24 4.461 -3.207 11.892 1.00 0.00 H new ATOM 0 HA ASP B 24 5.294 -3.859 14.460 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.576 -4.270 12.381 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.817 -2.547 12.176 1.00 0.00 H new ATOM 1555 N GLN B 25 5.145 -0.629 13.773 1.00 0.00 N ATOM 1556 CA GLN B 25 5.244 0.711 14.326 1.00 0.00 C ATOM 1557 C GLN B 25 3.956 1.042 15.084 1.00 0.00 C ATOM 1558 O GLN B 25 3.676 2.234 15.276 1.00 0.00 O ATOM 1559 CB GLN B 25 5.522 1.749 13.237 1.00 0.00 C ATOM 1560 CG GLN B 25 7.024 2.002 13.091 1.00 0.00 C ATOM 1561 CD GLN B 25 7.314 3.494 12.911 1.00 0.00 C ATOM 1562 OE1 GLN B 25 6.467 4.273 12.506 1.00 0.00 O ATOM 1563 NE2 GLN B 25 8.555 3.845 13.233 1.00 0.00 N ATOM 0 H GLN B 25 4.701 -0.672 12.856 1.00 0.00 H new ATOM 0 HA GLN B 25 6.086 0.743 15.017 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.114 1.403 12.287 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.014 2.682 13.481 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.546 1.630 13.972 1.00 0.00 H new ATOM 0 HG3 GLN B 25 7.408 1.447 12.235 1.00 0.00 H new ATOM 0 HE21 GLN B 25 9.214 3.141 13.566 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.848 4.818 13.147 1.00 0.00 H new ATOM 1572 N GLU B 26 3.213 -0.001 15.490 1.00 0.00 N ATOM 1573 CA GLU B 26 1.968 0.178 16.220 1.00 0.00 C ATOM 1574 C GLU B 26 1.344 1.521 15.832 1.00 0.00 C ATOM 1575 O GLU B 26 1.245 2.397 16.703 1.00 0.00 O ATOM 1576 CB GLU B 26 2.185 0.090 17.731 1.00 0.00 C ATOM 1577 CG GLU B 26 3.055 1.245 18.229 1.00 0.00 C ATOM 1578 CD GLU B 26 3.980 0.788 19.358 1.00 0.00 C ATOM 1579 OE1 GLU B 26 3.448 -0.030 20.201 1.00 0.00 O ATOM 1580 OE2 GLU B 26 5.147 1.205 19.412 1.00 0.00 O ATOM 0 H GLU B 26 3.462 -0.975 15.320 1.00 0.00 H new ATOM 0 HA GLU B 26 1.285 -0.628 15.951 1.00 0.00 H new ATOM 0 HB2 GLU B 26 1.222 0.109 18.242 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.659 -0.860 17.979 1.00 0.00 H new ATOM 0 HG2 GLU B 26 3.649 1.639 17.404 1.00 0.00 H new ATOM 0 HG3 GLU B 26 2.420 2.058 18.581 1.00 0.00 H new ATOM 1587 N LEU B 27 0.944 1.652 14.555 1.00 0.00 N ATOM 1588 CA LEU B 27 0.335 2.876 14.061 1.00 0.00 C ATOM 1589 C LEU B 27 -0.953 2.534 13.309 1.00 0.00 C ATOM 1590 O LEU B 27 -1.706 3.460 12.978 1.00 0.00 O ATOM 1591 CB LEU B 27 1.340 3.674 13.227 1.00 0.00 C ATOM 1592 CG LEU B 27 1.527 3.214 11.780 1.00 0.00 C ATOM 1593 CD1 LEU B 27 0.739 4.103 10.816 1.00 0.00 C ATOM 1594 CD2 LEU B 27 3.011 3.146 11.413 1.00 0.00 C ATOM 0 H LEU B 27 1.037 0.917 13.854 1.00 0.00 H new ATOM 0 HA LEU B 27 0.056 3.525 14.891 1.00 0.00 H new ATOM 0 HB2 LEU B 27 1.026 4.718 13.218 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.308 3.636 13.727 1.00 0.00 H new ATOM 0 HG LEU B 27 1.126 2.205 11.688 1.00 0.00 H new ATOM 0 HD11 LEU B 27 0.889 3.754 9.794 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -0.322 4.057 11.063 1.00 0.00 H new ATOM 0 HD13 LEU B 27 1.087 5.132 10.903 1.00 0.00 H new ATOM 0 HD21 LEU B 27 3.115 2.816 10.379 1.00 0.00 H new ATOM 0 HD22 LEU B 27 3.459 4.133 11.526 1.00 0.00 H new ATOM 0 HD23 LEU B 27 3.517 2.440 12.072 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.175 1.231 13.059 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.360 0.774 12.353 1.00 0.00 C ATOM 1608 C GLY B 28 -3.600 1.094 13.189 1.00 0.00 C ATOM 1609 O GLY B 28 -3.494 1.917 14.111 1.00 0.00 O ATOM 0 H GLY B 28 -0.541 0.483 13.341 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.428 1.260 11.380 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.297 -0.299 12.170 1.00 0.00 H new ATOM 1613 N ASP B 29 -4.734 0.449 12.858 1.00 0.00 N ATOM 1614 CA ASP B 29 -5.979 0.664 13.573 1.00 0.00 C ATOM 1615 C ASP B 29 -6.592 -0.690 13.940 1.00 0.00 C ATOM 1616 O ASP B 29 -7.074 -0.831 15.074 1.00 0.00 O ATOM 1617 CB ASP B 29 -6.989 1.420 12.707 1.00 0.00 C ATOM 1618 CG ASP B 29 -8.385 1.563 13.316 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -8.535 1.746 14.534 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -9.359 1.479 12.475 1.00 0.00 O ATOM 0 H ASP B 29 -4.800 -0.225 12.095 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.758 1.251 14.465 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -6.595 2.415 12.501 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -7.078 0.908 11.749 1.00 0.00 H new ATOM 1625 N ALA B 30 -6.562 -1.642 12.990 1.00 0.00 N ATOM 1626 CA ALA B 30 -7.109 -2.969 13.213 1.00 0.00 C ATOM 1627 C ALA B 30 -7.173 -3.720 11.882 1.00 0.00 C ATOM 1628 O ALA B 30 -6.846 -4.916 11.862 1.00 0.00 O ATOM 1629 CB ALA B 30 -8.553 -2.854 13.709 1.00 0.00 C ATOM 0 H ALA B 30 -6.161 -1.505 12.062 1.00 0.00 H new ATOM 0 HA ALA B 30 -6.479 -3.485 13.938 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -8.961 -3.851 13.875 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -8.573 -2.293 14.643 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -9.154 -2.336 12.962 1.00 0.00 H new ATOM 1635 N PRO B 31 -7.584 -3.016 10.812 1.00 0.00 N ATOM 1636 CA PRO B 31 -7.700 -3.578 9.477 1.00 0.00 C ATOM 1637 C PRO B 31 -6.322 -3.756 8.836 1.00 0.00 C ATOM 1638 O PRO B 31 -6.193 -4.605 7.942 1.00 0.00 O ATOM 1639 CB PRO B 31 -8.588 -2.606 8.717 1.00 0.00 C ATOM 1640 CG PRO B 31 -8.555 -1.308 9.505 1.00 0.00 C ATOM 1641 CD PRO B 31 -7.962 -1.607 10.872 1.00 0.00 C ATOM 0 HA PRO B 31 -8.135 -4.577 9.477 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -8.222 -2.456 7.701 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -9.606 -2.988 8.636 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -7.956 -0.561 8.984 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -9.560 -0.897 9.606 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -7.099 -0.974 11.076 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -8.686 -1.425 11.666 1.00 0.00 H new ATOM 1649 N PHE B 32 -5.336 -2.965 9.298 1.00 0.00 N ATOM 1650 CA PHE B 32 -3.983 -3.036 8.773 1.00 0.00 C ATOM 1651 C PHE B 32 -3.346 -4.362 9.194 1.00 0.00 C ATOM 1652 O PHE B 32 -2.645 -4.967 8.370 1.00 0.00 O ATOM 1653 CB PHE B 32 -3.168 -1.843 9.309 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.278 -0.573 8.476 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -4.219 -0.488 7.422 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.435 0.529 8.749 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -4.315 0.689 6.650 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -2.532 1.706 7.976 1.00 0.00 C ATOM 1659 CZ PHE B 32 -3.472 1.786 6.927 1.00 0.00 C ATOM 0 H PHE B 32 -5.463 -2.272 10.035 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.998 -2.988 7.684 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.495 -1.624 10.326 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.119 -2.134 9.367 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -4.865 -1.326 7.208 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.715 0.470 9.552 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -5.034 0.750 5.847 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.886 2.546 8.188 1.00 0.00 H new ATOM 0 HZ PHE B 32 -3.546 2.687 6.336 1.00 0.00 H new ATOM 1669 N LEU B 33 -3.598 -4.780 10.447 1.00 0.00 N ATOM 1670 CA LEU B 33 -3.053 -6.022 10.969 1.00 0.00 C ATOM 1671 C LEU B 33 -3.819 -7.202 10.366 1.00 0.00 C ATOM 1672 O LEU B 33 -3.169 -8.138 9.878 1.00 0.00 O ATOM 1673 CB LEU B 33 -3.052 -6.006 12.498 1.00 0.00 C ATOM 1674 CG LEU B 33 -2.840 -7.357 13.184 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -1.591 -8.055 12.643 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -2.797 -7.200 14.705 1.00 0.00 C ATOM 0 H LEU B 33 -4.179 -4.266 11.110 1.00 0.00 H new ATOM 0 HA LEU B 33 -2.010 -6.134 10.675 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.271 -5.324 12.834 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.002 -5.594 12.838 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.692 -7.996 12.952 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -1.463 -9.013 13.147 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.702 -8.220 11.571 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -0.717 -7.429 12.825 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -2.645 -8.175 15.167 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -1.977 -6.537 14.979 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -3.738 -6.776 15.054 1.00 0.00 H new ATOM 1688 N ASP B 34 -5.162 -7.136 10.413 1.00 0.00 N ATOM 1689 CA ASP B 34 -6.003 -8.191 9.876 1.00 0.00 C ATOM 1690 C ASP B 34 -5.692 -8.379 8.390 1.00 0.00 C ATOM 1691 O ASP B 34 -5.403 -9.515 7.986 1.00 0.00 O ATOM 1692 CB ASP B 34 -7.486 -7.834 10.008 1.00 0.00 C ATOM 1693 CG ASP B 34 -8.001 -7.737 11.444 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -7.085 -7.657 12.349 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -9.217 -7.736 11.689 1.00 0.00 O ATOM 0 H ASP B 34 -5.677 -6.356 10.821 1.00 0.00 H new ATOM 0 HA ASP B 34 -5.800 -9.103 10.438 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -7.661 -6.880 9.510 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -8.073 -8.583 9.477 1.00 0.00 H new ATOM 1700 N ARG B 35 -5.758 -7.280 7.617 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.486 -7.324 6.191 1.00 0.00 C ATOM 1702 C ARG B 35 -4.079 -7.881 5.961 1.00 0.00 C ATOM 1703 O ARG B 35 -3.934 -8.790 5.131 1.00 0.00 O ATOM 1704 CB ARG B 35 -5.587 -5.936 5.554 1.00 0.00 C ATOM 1705 CG ARG B 35 -7.039 -5.456 5.514 1.00 0.00 C ATOM 1706 CD ARG B 35 -7.112 -3.948 5.263 1.00 0.00 C ATOM 1707 NE ARG B 35 -5.960 -3.515 4.443 1.00 0.00 N ATOM 1708 CZ ARG B 35 -6.070 -2.861 3.267 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -7.291 -2.575 2.796 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -4.976 -2.503 2.582 1.00 0.00 N ATOM 0 H ARG B 35 -5.999 -6.353 7.969 1.00 0.00 H new ATOM 0 HA ARG B 35 -6.233 -7.967 5.725 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -4.981 -5.228 6.119 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.182 -5.966 4.542 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -7.579 -5.985 4.729 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -7.531 -5.696 6.457 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.044 -3.700 4.755 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -7.115 -3.413 6.213 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.023 -3.724 4.788 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.119 -2.851 3.324 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -7.393 -2.081 1.909 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.050 -2.724 2.948 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -5.069 -2.009 1.694 1.00 0.00 H new ATOM 1724 N LEU B 36 -3.089 -7.333 6.688 1.00 0.00 N ATOM 1725 CA LEU B 36 -1.709 -7.773 6.564 1.00 0.00 C ATOM 1726 C LEU B 36 -1.629 -9.274 6.849 1.00 0.00 C ATOM 1727 O LEU B 36 -0.858 -9.963 6.166 1.00 0.00 O ATOM 1728 CB LEU B 36 -0.796 -6.928 7.454 1.00 0.00 C ATOM 1729 CG LEU B 36 0.604 -7.491 7.704 1.00 0.00 C ATOM 1730 CD1 LEU B 36 1.434 -7.490 6.419 1.00 0.00 C ATOM 1731 CD2 LEU B 36 1.303 -6.740 8.839 1.00 0.00 C ATOM 0 H LEU B 36 -3.231 -6.584 7.366 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.351 -7.623 5.546 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.694 -5.941 7.003 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.288 -6.789 8.417 1.00 0.00 H new ATOM 0 HG LEU B 36 0.502 -8.529 8.020 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.425 -7.895 6.625 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.940 -8.105 5.666 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.530 -6.469 6.048 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.296 -7.160 8.996 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.392 -5.686 8.577 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.719 -6.838 9.754 1.00 0.00 H new ATOM 1743 N ARG B 37 -2.414 -9.742 7.836 1.00 0.00 N ATOM 1744 CA ARG B 37 -2.431 -11.147 8.205 1.00 0.00 C ATOM 1745 C ARG B 37 -2.842 -11.984 6.991 1.00 0.00 C ATOM 1746 O ARG B 37 -2.088 -12.896 6.622 1.00 0.00 O ATOM 1747 CB ARG B 37 -3.406 -11.416 9.354 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.656 -11.831 10.621 1.00 0.00 C ATOM 1749 CD ARG B 37 -3.457 -11.471 11.875 1.00 0.00 C ATOM 1750 NE ARG B 37 -4.493 -12.497 12.125 1.00 0.00 N ATOM 1751 CZ ARG B 37 -5.727 -12.226 12.604 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -6.054 -10.956 12.877 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -6.610 -13.214 12.804 1.00 0.00 N ATOM 0 H ARG B 37 -3.042 -9.157 8.387 1.00 0.00 H new ATOM 0 HA ARG B 37 -1.430 -11.421 8.537 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -3.996 -10.521 9.553 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -4.105 -12.201 9.067 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -2.467 -12.904 10.601 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -1.685 -11.337 10.651 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -2.790 -11.399 12.734 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -3.924 -10.494 11.750 1.00 0.00 H new ATOM 0 HE ARG B 37 -4.261 -13.470 11.923 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -5.375 -10.210 12.723 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -6.982 -10.735 13.239 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -6.352 -14.178 12.594 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -7.540 -13.002 13.166 1.00 0.00 H new ATOM 1767 N ARG B 38 -4.010 -11.662 6.405 1.00 0.00 N ATOM 1768 CA ARG B 38 -4.511 -12.379 5.245 1.00 0.00 C ATOM 1769 C ARG B 38 -3.571 -12.147 4.061 1.00 0.00 C ATOM 1770 O ARG B 38 -3.510 -13.015 3.178 1.00 0.00 O ATOM 1771 CB ARG B 38 -5.922 -11.921 4.867 1.00 0.00 C ATOM 1772 CG ARG B 38 -6.851 -11.947 6.082 1.00 0.00 C ATOM 1773 CD ARG B 38 -8.292 -12.242 5.663 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.694 -13.583 6.142 1.00 0.00 N ATOM 1775 CZ ARG B 38 -9.972 -13.956 6.365 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -10.955 -13.072 6.144 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -10.254 -15.192 6.800 1.00 0.00 N ATOM 0 H ARG B 38 -4.616 -10.907 6.725 1.00 0.00 H new ATOM 0 HA ARG B 38 -4.553 -13.439 5.495 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.883 -10.912 4.456 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -6.321 -12.568 4.086 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.511 -12.705 6.788 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -6.808 -10.988 6.598 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -8.961 -11.485 6.073 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -8.381 -12.193 4.578 1.00 0.00 H new ATOM 0 HE ARG B 38 -7.959 -14.269 6.315 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -10.732 -12.134 5.812 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -11.926 -13.338 6.307 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -9.500 -15.859 6.965 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -11.222 -15.466 6.966 1.00 0.00 H new ATOM 1791 N ASP B 39 -2.871 -10.999 4.065 1.00 0.00 N ATOM 1792 CA ASP B 39 -1.944 -10.658 2.998 1.00 0.00 C ATOM 1793 C ASP B 39 -0.680 -11.508 3.136 1.00 0.00 C ATOM 1794 O ASP B 39 -0.041 -11.786 2.111 1.00 0.00 O ATOM 1795 CB ASP B 39 -1.535 -9.186 3.073 1.00 0.00 C ATOM 1796 CG ASP B 39 -1.164 -8.549 1.733 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -1.740 -8.883 0.686 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -0.229 -7.663 1.790 1.00 0.00 O ATOM 0 H ASP B 39 -2.938 -10.297 4.802 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.441 -10.846 2.046 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -2.355 -8.619 3.513 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -0.685 -9.095 3.749 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.350 -11.898 4.381 1.00 0.00 N ATOM 1804 CA GLN B 40 0.827 -12.708 4.646 1.00 0.00 C ATOM 1805 C GLN B 40 0.651 -14.083 3.999 1.00 0.00 C ATOM 1806 O GLN B 40 1.503 -14.463 3.182 1.00 0.00 O ATOM 1807 CB GLN B 40 1.092 -12.839 6.147 1.00 0.00 C ATOM 1808 CG GLN B 40 2.077 -13.974 6.435 1.00 0.00 C ATOM 1809 CD GLN B 40 3.502 -13.575 6.042 1.00 0.00 C ATOM 1810 OE1 GLN B 40 3.657 -13.331 4.744 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 4.400 -13.494 6.863 1.00 0.00 N flip ATOM 0 H GLN B 40 -0.890 -11.659 5.212 1.00 0.00 H new ATOM 0 HA GLN B 40 1.696 -12.214 4.211 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.491 -11.901 6.532 1.00 0.00 H new ATOM 0 HB3 GLN B 40 0.154 -13.026 6.670 1.00 0.00 H new ATOM 0 HG2 GLN B 40 2.045 -14.228 7.495 1.00 0.00 H new ATOM 0 HG3 GLN B 40 1.780 -14.867 5.884 1.00 0.00 H new ATOM 0 HE21 GLN B 40 4.213 -13.695 7.845 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.338 -13.225 6.567 1.00 0.00 H new ATOM 1820 N LYS B 41 -0.431 -14.789 4.370 1.00 0.00 N ATOM 1821 CA LYS B 41 -0.713 -16.109 3.829 1.00 0.00 C ATOM 1822 C LYS B 41 -0.887 -16.006 2.312 1.00 0.00 C ATOM 1823 O LYS B 41 -0.409 -16.903 1.602 1.00 0.00 O ATOM 1824 CB LYS B 41 -1.910 -16.737 4.544 1.00 0.00 C ATOM 1825 CG LYS B 41 -1.610 -18.181 4.950 1.00 0.00 C ATOM 1826 CD LYS B 41 -2.684 -19.134 4.421 1.00 0.00 C ATOM 1827 CE LYS B 41 -2.549 -19.328 2.910 1.00 0.00 C ATOM 1828 NZ LYS B 41 -2.736 -20.743 2.553 1.00 0.00 N ATOM 0 H LYS B 41 -1.120 -14.457 5.045 1.00 0.00 H new ATOM 0 HA LYS B 41 0.125 -16.782 4.010 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -2.158 -16.151 5.429 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -2.782 -16.713 3.891 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -0.635 -18.476 4.563 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -1.557 -18.254 6.036 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -2.600 -20.097 4.924 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -3.673 -18.738 4.653 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -3.287 -18.716 2.392 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -1.566 -18.991 2.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -2.641 -20.857 1.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -2.016 -21.320 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -3.683 -21.054 2.850 1.00 0.00 H new ATOM 1842 N SER B 42 -1.557 -14.934 1.854 1.00 0.00 N ATOM 1843 CA SER B 42 -1.789 -14.720 0.436 1.00 0.00 C ATOM 1844 C SER B 42 -0.447 -14.551 -0.278 1.00 0.00 C ATOM 1845 O SER B 42 -0.271 -15.144 -1.352 1.00 0.00 O ATOM 1846 CB SER B 42 -2.678 -13.499 0.191 1.00 0.00 C ATOM 1847 OG SER B 42 -3.298 -13.536 -1.091 1.00 0.00 O ATOM 0 H SER B 42 -1.944 -14.207 2.456 1.00 0.00 H new ATOM 0 HA SER B 42 -2.310 -15.590 0.037 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.446 -13.449 0.963 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.080 -12.592 0.278 1.00 0.00 H new ATOM 0 HG SER B 42 -3.858 -12.740 -1.207 1.00 0.00 H new ATOM 1853 N LEU B 43 0.459 -13.759 0.323 1.00 0.00 N ATOM 1854 CA LEU B 43 1.771 -13.516 -0.252 1.00 0.00 C ATOM 1855 C LEU B 43 2.564 -14.825 -0.271 1.00 0.00 C ATOM 1856 O LEU B 43 2.926 -15.278 -1.367 1.00 0.00 O ATOM 1857 CB LEU B 43 2.479 -12.379 0.490 1.00 0.00 C ATOM 1858 CG LEU B 43 3.642 -11.717 -0.251 1.00 0.00 C ATOM 1859 CD1 LEU B 43 3.133 -10.795 -1.360 1.00 0.00 C ATOM 1860 CD2 LEU B 43 4.567 -10.986 0.723 1.00 0.00 C ATOM 0 H LEU B 43 0.295 -13.280 1.209 1.00 0.00 H new ATOM 0 HA LEU B 43 1.679 -13.183 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.742 -11.612 0.727 1.00 0.00 H new ATOM 0 HB3 LEU B 43 2.852 -12.767 1.438 1.00 0.00 H new ATOM 0 HG LEU B 43 4.231 -12.499 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.981 -10.338 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.548 -11.374 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.507 -10.015 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU B 43 5.385 -10.524 0.171 1.00 0.00 H new ATOM 0 HD22 LEU B 43 4.005 -10.215 1.250 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.971 -11.697 1.444 1.00 0.00 H new ATOM 1872 N ARG B 44 2.814 -15.395 0.921 1.00 0.00 N ATOM 1873 CA ARG B 44 3.556 -16.639 1.038 1.00 0.00 C ATOM 1874 C ARG B 44 3.120 -17.595 -0.074 1.00 0.00 C ATOM 1875 O ARG B 44 3.997 -18.196 -0.711 1.00 0.00 O ATOM 1876 CB ARG B 44 3.326 -17.306 2.396 1.00 0.00 C ATOM 1877 CG ARG B 44 4.341 -18.425 2.636 1.00 0.00 C ATOM 1878 CD ARG B 44 5.249 -18.096 3.823 1.00 0.00 C ATOM 1879 NE ARG B 44 4.581 -18.470 5.089 1.00 0.00 N ATOM 1880 CZ ARG B 44 5.205 -19.070 6.125 1.00 0.00 C ATOM 1881 NH1 ARG B 44 6.510 -19.354 6.021 1.00 0.00 N ATOM 1882 NH2 ARG B 44 4.529 -19.376 7.241 1.00 0.00 N ATOM 0 H ARG B 44 2.508 -15.004 1.812 1.00 0.00 H new ATOM 0 HA ARG B 44 4.618 -16.409 0.948 1.00 0.00 H new ATOM 0 HB2 ARG B 44 3.405 -16.562 3.189 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.315 -17.712 2.439 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.817 -19.362 2.823 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.945 -18.571 1.741 1.00 0.00 H new ATOM 0 HD2 ARG B 44 6.194 -18.632 3.728 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.485 -17.032 3.827 1.00 0.00 H new ATOM 0 HE ARG B 44 3.587 -18.262 5.185 1.00 0.00 H new ATOM 0 HH11 ARG B 44 7.017 -19.117 5.168 1.00 0.00 H new ATOM 0 HH12 ARG B 44 6.997 -19.807 6.795 1.00 0.00 H new ATOM 0 HH21 ARG B 44 3.536 -19.156 7.312 1.00 0.00 H new ATOM 0 HH22 ARG B 44 5.008 -19.829 8.019 1.00 0.00 H new ATOM 1896 N GLY B 45 1.796 -17.716 -0.280 1.00 0.00 N ATOM 1897 CA GLY B 45 1.253 -18.591 -1.304 1.00 0.00 C ATOM 1898 C GLY B 45 1.719 -18.110 -2.680 1.00 0.00 C ATOM 1899 O GLY B 45 2.267 -18.925 -3.436 1.00 0.00 O ATOM 0 H GLY B 45 1.090 -17.212 0.257 1.00 0.00 H new ATOM 0 HA2 GLY B 45 1.582 -19.616 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY B 45 0.164 -18.593 -1.256 1.00 0.00 H new ATOM 1903 N ARG B 46 1.497 -16.815 -2.972 1.00 0.00 N ATOM 1904 CA ARG B 46 1.892 -16.234 -4.244 1.00 0.00 C ATOM 1905 C ARG B 46 3.393 -16.450 -4.455 1.00 0.00 C ATOM 1906 O ARG B 46 3.756 -17.206 -5.368 1.00 0.00 O ATOM 1907 CB ARG B 46 1.587 -14.736 -4.299 1.00 0.00 C ATOM 1908 CG ARG B 46 0.115 -14.488 -4.633 1.00 0.00 C ATOM 1909 CD ARG B 46 -0.113 -13.037 -5.064 1.00 0.00 C ATOM 1910 NE ARG B 46 -0.758 -13.000 -6.395 1.00 0.00 N ATOM 1911 CZ ARG B 46 -0.609 -11.992 -7.281 1.00 0.00 C ATOM 1912 NH1 ARG B 46 0.167 -10.950 -6.954 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -1.227 -12.033 -8.469 1.00 0.00 N ATOM 0 H ARG B 46 1.044 -16.160 -2.335 1.00 0.00 H new ATOM 0 HA ARG B 46 1.321 -16.726 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.828 -14.277 -3.340 1.00 0.00 H new ATOM 0 HB3 ARG B 46 2.219 -14.260 -5.049 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -0.199 -15.162 -5.430 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -0.502 -14.714 -3.763 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -0.739 -12.526 -4.333 1.00 0.00 H new ATOM 0 HD3 ARG B 46 0.838 -12.505 -5.097 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.353 -13.785 -6.660 1.00 0.00 H new ATOM 0 HH11 ARG B 46 0.634 -10.927 -6.048 1.00 0.00 H new ATOM 0 HH12 ARG B 46 0.291 -10.180 -7.611 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -1.816 -12.830 -8.710 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -1.109 -11.267 -9.132 1.00 0.00 H new ATOM 1927 N GLY B 47 4.218 -15.793 -3.621 1.00 0.00 N ATOM 1928 CA GLY B 47 5.663 -15.913 -3.716 1.00 0.00 C ATOM 1929 C GLY B 47 6.041 -17.391 -3.845 1.00 0.00 C ATOM 1930 O GLY B 47 6.614 -17.765 -4.878 1.00 0.00 O ATOM 0 H GLY B 47 3.897 -15.175 -2.876 1.00 0.00 H new ATOM 0 HA2 GLY B 47 6.030 -15.356 -4.578 1.00 0.00 H new ATOM 0 HA3 GLY B 47 6.134 -15.481 -2.833 1.00 0.00 H new ATOM 1934 N SER B 48 5.717 -18.187 -2.810 1.00 0.00 N ATOM 1935 CA SER B 48 6.021 -19.608 -2.809 1.00 0.00 C ATOM 1936 C SER B 48 5.747 -20.186 -4.199 1.00 0.00 C ATOM 1937 O SER B 48 6.683 -20.719 -4.812 1.00 0.00 O ATOM 1938 CB SER B 48 5.202 -20.355 -1.754 1.00 0.00 C ATOM 1939 OG SER B 48 5.492 -21.750 -1.741 1.00 0.00 O ATOM 0 H SER B 48 5.244 -17.859 -1.968 1.00 0.00 H new ATOM 0 HA SER B 48 7.074 -19.736 -2.558 1.00 0.00 H new ATOM 0 HB2 SER B 48 5.407 -19.933 -0.770 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.140 -20.208 -1.949 1.00 0.00 H new ATOM 0 HG SER B 48 4.950 -22.190 -1.053 1.00 0.00 H new ATOM 1945 N THR B 49 4.489 -20.068 -4.662 1.00 0.00 N ATOM 1946 CA THR B 49 4.100 -20.575 -5.967 1.00 0.00 C ATOM 1947 C THR B 49 5.209 -20.278 -6.977 1.00 0.00 C ATOM 1948 O THR B 49 5.698 -21.224 -7.612 1.00 0.00 O ATOM 1949 CB THR B 49 2.751 -19.959 -6.347 1.00 0.00 C ATOM 1950 OG1 THR B 49 1.799 -20.954 -5.980 1.00 0.00 O ATOM 1951 CG2 THR B 49 2.577 -19.819 -7.861 1.00 0.00 C ATOM 0 H THR B 49 3.732 -19.624 -4.142 1.00 0.00 H new ATOM 0 HA THR B 49 3.972 -21.657 -5.955 1.00 0.00 H new ATOM 0 HB THR B 49 2.654 -18.980 -5.878 1.00 0.00 H new ATOM 0 HG1 THR B 49 0.896 -20.636 -6.190 1.00 0.00 H new ATOM 0 HG21 THR B 49 1.604 -19.377 -8.076 1.00 0.00 H new ATOM 0 HG22 THR B 49 3.363 -19.178 -8.260 1.00 0.00 H new ATOM 0 HG23 THR B 49 2.640 -20.802 -8.327 1.00 0.00 H new ATOM 1959 N LEU B 50 5.579 -18.991 -7.105 1.00 0.00 N ATOM 1960 CA LEU B 50 6.621 -18.577 -8.028 1.00 0.00 C ATOM 1961 C LEU B 50 7.950 -19.209 -7.609 1.00 0.00 C ATOM 1962 O LEU B 50 8.525 -19.960 -8.409 1.00 0.00 O ATOM 1963 CB LEU B 50 6.671 -17.051 -8.130 1.00 0.00 C ATOM 1964 CG LEU B 50 6.460 -16.465 -9.528 1.00 0.00 C ATOM 1965 CD1 LEU B 50 6.421 -14.936 -9.481 1.00 0.00 C ATOM 1966 CD2 LEU B 50 7.519 -16.981 -10.504 1.00 0.00 C ATOM 0 H LEU B 50 5.163 -18.226 -6.573 1.00 0.00 H new ATOM 0 HA LEU B 50 6.402 -18.934 -9.034 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.912 -16.637 -7.466 1.00 0.00 H new ATOM 0 HB3 LEU B 50 7.638 -16.713 -7.758 1.00 0.00 H new ATOM 0 HG LEU B 50 5.491 -16.801 -9.897 1.00 0.00 H new ATOM 0 HD11 LEU B 50 6.270 -14.545 -10.487 1.00 0.00 H new ATOM 0 HD12 LEU B 50 5.602 -14.612 -8.839 1.00 0.00 H new ATOM 0 HD13 LEU B 50 7.364 -14.560 -9.083 1.00 0.00 H new ATOM 0 HD21 LEU B 50 7.346 -16.549 -11.490 1.00 0.00 H new ATOM 0 HD22 LEU B 50 8.510 -16.694 -10.151 1.00 0.00 H new ATOM 0 HD23 LEU B 50 7.457 -18.067 -10.568 1.00 0.00 H new ATOM 1978 N GLY B 51 8.404 -18.897 -6.381 1.00 0.00 N ATOM 1979 CA GLY B 51 9.652 -19.431 -5.863 1.00 0.00 C ATOM 1980 C GLY B 51 10.786 -18.449 -6.165 1.00 0.00 C ATOM 1981 O GLY B 51 11.939 -18.893 -6.268 1.00 0.00 O ATOM 0 H GLY B 51 7.915 -18.275 -5.737 1.00 0.00 H new ATOM 0 HA2 GLY B 51 9.573 -19.594 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY B 51 9.863 -20.399 -6.317 1.00 0.00 H new ATOM 1985 N LEU B 52 10.443 -17.156 -6.299 1.00 0.00 N ATOM 1986 CA LEU B 52 11.425 -16.124 -6.587 1.00 0.00 C ATOM 1987 C LEU B 52 12.137 -15.729 -5.292 1.00 0.00 C ATOM 1988 O LEU B 52 13.007 -16.488 -4.841 1.00 0.00 O ATOM 1989 CB LEU B 52 10.770 -14.947 -7.312 1.00 0.00 C ATOM 1990 CG LEU B 52 10.219 -15.243 -8.709 1.00 0.00 C ATOM 1991 CD1 LEU B 52 9.796 -13.953 -9.415 1.00 0.00 C ATOM 1992 CD2 LEU B 52 11.224 -16.046 -9.536 1.00 0.00 C ATOM 0 H LEU B 52 9.487 -16.811 -6.210 1.00 0.00 H new ATOM 0 HA LEU B 52 12.187 -16.503 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU B 52 9.954 -14.573 -6.693 1.00 0.00 H new ATOM 0 HB3 LEU B 52 11.502 -14.144 -7.394 1.00 0.00 H new ATOM 0 HG LEU B 52 9.326 -15.859 -8.601 1.00 0.00 H new ATOM 0 HD11 LEU B 52 9.408 -14.191 -10.406 1.00 0.00 H new ATOM 0 HD12 LEU B 52 9.021 -13.456 -8.831 1.00 0.00 H new ATOM 0 HD13 LEU B 52 10.657 -13.292 -9.512 1.00 0.00 H new ATOM 0 HD21 LEU B 52 10.808 -16.243 -10.524 1.00 0.00 H new ATOM 0 HD22 LEU B 52 12.148 -15.477 -9.638 1.00 0.00 H new ATOM 0 HD23 LEU B 52 11.434 -16.992 -9.036 1.00 0.00 H new ATOM 2004 N ASN B 53 11.759 -14.568 -4.728 1.00 0.00 N ATOM 2005 CA ASN B 53 12.357 -14.079 -3.496 1.00 0.00 C ATOM 2006 C ASN B 53 11.571 -12.864 -3.000 1.00 0.00 C ATOM 2007 O ASN B 53 11.757 -11.772 -3.556 1.00 0.00 O ATOM 2008 CB ASN B 53 13.806 -13.643 -3.722 1.00 0.00 C ATOM 2009 CG ASN B 53 14.764 -14.447 -2.843 1.00 0.00 C ATOM 2010 OD1 ASN B 53 15.710 -15.061 -3.309 1.00 0.00 O ATOM 2011 ND2 ASN B 53 14.468 -14.411 -1.547 1.00 0.00 N ATOM 0 H ASN B 53 11.040 -13.957 -5.115 1.00 0.00 H new ATOM 0 HA ASN B 53 12.333 -14.888 -2.766 1.00 0.00 H new ATOM 0 HB2 ASN B 53 14.070 -13.777 -4.771 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.909 -12.581 -3.501 1.00 0.00 H new ATOM 0 HD21 ASN B 53 15.048 -14.917 -0.877 1.00 0.00 H new ATOM 0 HD22 ASN B 53 13.661 -13.878 -1.223 1.00 0.00 H new ATOM 2018 N ILE B 54 10.720 -13.075 -1.979 1.00 0.00 N ATOM 2019 CA ILE B 54 9.916 -12.004 -1.415 1.00 0.00 C ATOM 2020 C ILE B 54 10.762 -10.733 -1.315 1.00 0.00 C ATOM 2021 O ILE B 54 10.264 -9.663 -1.693 1.00 0.00 O ATOM 2022 CB ILE B 54 9.301 -12.440 -0.082 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.967 -13.155 -0.302 1.00 0.00 C ATOM 2024 CG2 ILE B 54 9.166 -11.254 0.874 1.00 0.00 C ATOM 2025 CD1 ILE B 54 8.159 -14.444 -1.105 1.00 0.00 C ATOM 0 H ILE B 54 10.580 -13.983 -1.535 1.00 0.00 H new ATOM 0 HA ILE B 54 9.074 -11.776 -2.069 1.00 0.00 H new ATOM 0 HB ILE B 54 9.976 -13.156 0.388 1.00 0.00 H new ATOM 0 HG12 ILE B 54 7.512 -13.387 0.661 1.00 0.00 H new ATOM 0 HG13 ILE B 54 7.279 -12.494 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE B 54 8.727 -11.592 1.813 1.00 0.00 H new ATOM 0 HG22 ILE B 54 10.151 -10.828 1.067 1.00 0.00 H new ATOM 0 HG23 ILE B 54 8.524 -10.496 0.425 1.00 0.00 H new ATOM 0 HD11 ILE B 54 7.194 -14.932 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE B 54 8.591 -14.206 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE B 54 8.828 -15.113 -0.564 1.00 0.00 H new ATOM 2037 N GLU B 55 12.002 -10.873 -0.815 1.00 0.00 N ATOM 2038 CA GLU B 55 12.905 -9.745 -0.669 1.00 0.00 C ATOM 2039 C GLU B 55 13.200 -9.151 -2.049 1.00 0.00 C ATOM 2040 O GLU B 55 12.891 -7.970 -2.261 1.00 0.00 O ATOM 2041 CB GLU B 55 14.199 -10.148 0.042 1.00 0.00 C ATOM 2042 CG GLU B 55 14.472 -9.237 1.240 1.00 0.00 C ATOM 2043 CD GLU B 55 15.842 -9.534 1.854 1.00 0.00 C ATOM 2044 OE1 GLU B 55 16.733 -9.951 1.020 1.00 0.00 O ATOM 2045 OE2 GLU B 55 16.026 -9.371 3.069 1.00 0.00 O ATOM 0 H GLU B 55 12.392 -11.764 -0.508 1.00 0.00 H new ATOM 0 HA GLU B 55 12.423 -8.990 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU B 55 14.127 -11.183 0.376 1.00 0.00 H new ATOM 0 HB3 GLU B 55 15.034 -10.096 -0.657 1.00 0.00 H new ATOM 0 HG2 GLU B 55 14.429 -8.194 0.926 1.00 0.00 H new ATOM 0 HG3 GLU B 55 13.695 -9.376 1.992 1.00 0.00 H new ATOM 2052 N ALA B 56 13.783 -9.968 -2.943 1.00 0.00 N ATOM 2053 CA ALA B 56 14.115 -9.526 -4.288 1.00 0.00 C ATOM 2054 C ALA B 56 12.924 -8.770 -4.880 1.00 0.00 C ATOM 2055 O ALA B 56 13.074 -7.577 -5.180 1.00 0.00 O ATOM 2056 CB ALA B 56 14.341 -10.743 -5.188 1.00 0.00 C ATOM 0 H ALA B 56 14.030 -10.938 -2.748 1.00 0.00 H new ATOM 0 HA ALA B 56 15.005 -8.899 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA B 56 14.590 -10.409 -6.195 1.00 0.00 H new ATOM 0 HB2 ALA B 56 15.161 -11.342 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.434 -11.346 -5.219 1.00 0.00 H new ATOM 2062 N ALA B 57 11.784 -9.467 -5.033 1.00 0.00 N ATOM 2063 CA ALA B 57 10.582 -8.864 -5.584 1.00 0.00 C ATOM 2064 C ALA B 57 10.353 -7.501 -4.928 1.00 0.00 C ATOM 2065 O ALA B 57 10.464 -6.484 -5.628 1.00 0.00 O ATOM 2066 CB ALA B 57 9.366 -9.722 -5.227 1.00 0.00 C ATOM 0 H ALA B 57 11.681 -10.449 -4.779 1.00 0.00 H new ATOM 0 HA ALA B 57 10.703 -8.776 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.466 -9.268 -5.641 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.492 -10.722 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.273 -9.788 -4.143 1.00 0.00 H new ATOM 2072 N THR B 58 10.043 -7.507 -3.620 1.00 0.00 N ATOM 2073 CA THR B 58 9.803 -6.280 -2.880 1.00 0.00 C ATOM 2074 C THR B 58 10.905 -5.270 -3.204 1.00 0.00 C ATOM 2075 O THR B 58 10.628 -4.062 -3.160 1.00 0.00 O ATOM 2076 CB THR B 58 9.706 -6.618 -1.391 1.00 0.00 C ATOM 2077 OG1 THR B 58 8.787 -5.659 -0.876 1.00 0.00 O ATOM 2078 CG2 THR B 58 11.007 -6.329 -0.639 1.00 0.00 C ATOM 0 H THR B 58 9.955 -8.356 -3.062 1.00 0.00 H new ATOM 0 HA THR B 58 8.860 -5.815 -3.169 1.00 0.00 H new ATOM 0 HB THR B 58 9.445 -7.670 -1.274 1.00 0.00 H new ATOM 0 HG1 THR B 58 8.468 -5.951 0.003 1.00 0.00 H new ATOM 0 HG21 THR B 58 10.884 -6.586 0.413 1.00 0.00 H new ATOM 0 HG22 THR B 58 11.814 -6.924 -1.066 1.00 0.00 H new ATOM 0 HG23 THR B 58 11.251 -5.270 -0.727 1.00 0.00 H new ATOM 2086 N HIS B 59 12.112 -5.775 -3.517 1.00 0.00 N ATOM 2087 CA HIS B 59 13.241 -4.921 -3.844 1.00 0.00 C ATOM 2088 C HIS B 59 12.903 -4.085 -5.080 1.00 0.00 C ATOM 2089 O HIS B 59 12.797 -2.857 -4.948 1.00 0.00 O ATOM 2090 CB HIS B 59 14.517 -5.747 -4.018 1.00 0.00 C ATOM 2091 CG HIS B 59 15.754 -5.091 -3.452 1.00 0.00 C ATOM 2092 ND1 HIS B 59 16.944 -5.002 -4.155 1.00 0.00 N ATOM 2093 CD2 HIS B 59 15.974 -4.492 -2.247 1.00 0.00 C ATOM 2094 CE1 HIS B 59 17.832 -4.377 -3.396 1.00 0.00 C ATOM 2095 NE2 HIS B 59 17.230 -4.063 -2.213 1.00 0.00 N ATOM 0 H HIS B 59 12.319 -6.773 -3.547 1.00 0.00 H new ATOM 0 HA HIS B 59 13.435 -4.234 -3.020 1.00 0.00 H new ATOM 0 HB2 HIS B 59 14.379 -6.715 -3.537 1.00 0.00 H new ATOM 0 HB3 HIS B 59 14.673 -5.938 -5.080 1.00 0.00 H new ATOM 0 HD2 HIS B 59 15.249 -4.385 -1.454 1.00 0.00 H new ATOM 0 HE1 HIS B 59 18.854 -4.155 -3.667 1.00 0.00 H new ATOM 0 HE2 HIS B 59 17.672 -3.579 -1.431 1.00 0.00 H new ATOM 2103 N VAL B 60 12.744 -4.756 -6.235 1.00 0.00 N ATOM 2104 CA VAL B 60 12.420 -4.078 -7.479 1.00 0.00 C ATOM 2105 C VAL B 60 11.212 -3.165 -7.259 1.00 0.00 C ATOM 2106 O VAL B 60 11.241 -2.023 -7.741 1.00 0.00 O ATOM 2107 CB VAL B 60 12.199 -5.106 -8.591 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.184 -4.594 -9.615 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.521 -5.475 -9.267 1.00 0.00 C ATOM 0 H VAL B 60 12.837 -5.768 -6.321 1.00 0.00 H new ATOM 0 HA VAL B 60 13.249 -3.446 -7.798 1.00 0.00 H new ATOM 0 HB VAL B 60 11.792 -6.009 -8.137 1.00 0.00 H new ATOM 0 HG11 VAL B 60 11.045 -5.343 -10.395 1.00 0.00 H new ATOM 0 HG12 VAL B 60 10.232 -4.404 -9.120 1.00 0.00 H new ATOM 0 HG13 VAL B 60 11.552 -3.670 -10.061 1.00 0.00 H new ATOM 0 HG21 VAL B 60 13.336 -6.207 -10.053 1.00 0.00 H new ATOM 0 HG22 VAL B 60 13.969 -4.581 -9.701 1.00 0.00 H new ATOM 0 HG23 VAL B 60 14.201 -5.900 -8.529 1.00 0.00 H new ATOM 2119 N GLY B 61 10.193 -3.677 -6.547 1.00 0.00 N ATOM 2120 CA GLY B 61 8.989 -2.912 -6.268 1.00 0.00 C ATOM 2121 C GLY B 61 9.371 -1.595 -5.590 1.00 0.00 C ATOM 2122 O GLY B 61 8.875 -0.544 -6.019 1.00 0.00 O ATOM 0 H GLY B 61 10.190 -4.620 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.448 -2.714 -7.193 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.321 -3.485 -5.625 1.00 0.00 H new ATOM 2126 N LYS B 62 10.234 -1.676 -4.560 1.00 0.00 N ATOM 2127 CA LYS B 62 10.677 -0.499 -3.833 1.00 0.00 C ATOM 2128 C LYS B 62 11.263 0.514 -4.818 1.00 0.00 C ATOM 2129 O LYS B 62 11.125 1.721 -4.574 1.00 0.00 O ATOM 2130 CB LYS B 62 11.640 -0.894 -2.710 1.00 0.00 C ATOM 2131 CG LYS B 62 12.663 0.214 -2.451 1.00 0.00 C ATOM 2132 CD LYS B 62 11.978 1.486 -1.947 1.00 0.00 C ATOM 2133 CE LYS B 62 12.544 2.726 -2.642 1.00 0.00 C ATOM 2134 NZ LYS B 62 13.347 3.523 -1.701 1.00 0.00 N ATOM 0 H LYS B 62 10.632 -2.552 -4.221 1.00 0.00 H new ATOM 0 HA LYS B 62 9.833 -0.014 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS B 62 11.078 -1.096 -1.798 1.00 0.00 H new ATOM 0 HB3 LYS B 62 12.157 -1.816 -2.976 1.00 0.00 H new ATOM 0 HG2 LYS B 62 13.394 -0.125 -1.717 1.00 0.00 H new ATOM 0 HG3 LYS B 62 13.210 0.430 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS B 62 10.905 1.421 -2.128 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.115 1.574 -0.869 1.00 0.00 H new ATOM 0 HE2 LYS B 62 13.159 2.426 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS B 62 11.729 3.332 -3.038 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 13.724 4.361 -2.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 12.750 3.825 -0.905 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 14.136 2.947 -1.343 1.00 0.00 H new ATOM 2148 N GLN B 63 11.895 0.012 -5.893 1.00 0.00 N ATOM 2149 CA GLN B 63 12.496 0.867 -6.903 1.00 0.00 C ATOM 2150 C GLN B 63 11.390 1.510 -7.743 1.00 0.00 C ATOM 2151 O GLN B 63 11.521 2.695 -8.084 1.00 0.00 O ATOM 2152 CB GLN B 63 13.475 0.092 -7.787 1.00 0.00 C ATOM 2153 CG GLN B 63 14.921 0.353 -7.362 1.00 0.00 C ATOM 2154 CD GLN B 63 15.277 -0.446 -6.106 1.00 0.00 C ATOM 2155 OE1 GLN B 63 14.901 -1.721 -6.152 1.00 0.00 O flip ATOM 2156 NE2 GLN B 63 15.854 0.062 -5.158 1.00 0.00 N flip ATOM 0 H GLN B 63 11.997 -0.986 -6.075 1.00 0.00 H new ATOM 0 HA GLN B 63 13.070 1.647 -6.404 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.261 -0.975 -7.725 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.340 0.384 -8.828 1.00 0.00 H new ATOM 0 HG2 GLN B 63 15.597 0.082 -8.173 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.061 1.417 -7.172 1.00 0.00 H new ATOM 0 HE21 GLN B 63 16.115 1.048 -5.188 1.00 0.00 H new ATOM 0 HE22 GLN B 63 16.076 -0.499 -4.336 1.00 0.00 H new ATOM 2165 N ILE B 64 10.340 0.729 -8.056 1.00 0.00 N ATOM 2166 CA ILE B 64 9.225 1.218 -8.847 1.00 0.00 C ATOM 2167 C ILE B 64 8.560 2.386 -8.117 1.00 0.00 C ATOM 2168 O ILE B 64 8.252 3.393 -8.772 1.00 0.00 O ATOM 2169 CB ILE B 64 8.264 0.076 -9.184 1.00 0.00 C ATOM 2170 CG1 ILE B 64 8.015 -0.005 -10.692 1.00 0.00 C ATOM 2171 CG2 ILE B 64 6.959 0.207 -8.395 1.00 0.00 C ATOM 2172 CD1 ILE B 64 7.112 1.137 -11.161 1.00 0.00 C ATOM 0 H ILE B 64 10.252 -0.245 -7.766 1.00 0.00 H new ATOM 0 HA ILE B 64 9.577 1.600 -9.805 1.00 0.00 H new ATOM 0 HB ILE B 64 8.730 -0.862 -8.883 1.00 0.00 H new ATOM 0 HG12 ILE B 64 8.966 0.037 -11.224 1.00 0.00 H new ATOM 0 HG13 ILE B 64 7.554 -0.962 -10.937 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.294 -0.617 -8.653 1.00 0.00 H new ATOM 0 HG22 ILE B 64 7.175 0.178 -7.327 1.00 0.00 H new ATOM 0 HG23 ILE B 64 6.478 1.153 -8.642 1.00 0.00 H new ATOM 0 HD11 ILE B 64 6.951 1.056 -12.236 1.00 0.00 H new ATOM 0 HD12 ILE B 64 6.154 1.078 -10.645 1.00 0.00 H new ATOM 0 HD13 ILE B 64 7.587 2.092 -10.936 1.00 0.00 H new ATOM 2184 N VAL B 65 8.355 2.233 -6.796 1.00 0.00 N ATOM 2185 CA VAL B 65 7.733 3.267 -5.988 1.00 0.00 C ATOM 2186 C VAL B 65 8.649 4.491 -5.941 1.00 0.00 C ATOM 2187 O VAL B 65 8.161 5.604 -6.190 1.00 0.00 O ATOM 2188 CB VAL B 65 7.398 2.717 -4.600 1.00 0.00 C ATOM 2189 CG1 VAL B 65 6.962 3.838 -3.655 1.00 0.00 C ATOM 2190 CG2 VAL B 65 6.330 1.625 -4.686 1.00 0.00 C ATOM 0 H VAL B 65 8.616 1.396 -6.275 1.00 0.00 H new ATOM 0 HA VAL B 65 6.790 3.584 -6.433 1.00 0.00 H new ATOM 0 HB VAL B 65 8.303 2.269 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL B 65 6.730 3.419 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL B 65 7.768 4.565 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL B 65 6.077 4.330 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL B 65 6.110 1.251 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL B 65 5.422 2.038 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL B 65 6.695 0.807 -5.307 1.00 0.00 H new ATOM 2200 N GLU B 66 9.938 4.267 -5.627 1.00 0.00 N ATOM 2201 CA GLU B 66 10.910 5.344 -5.549 1.00 0.00 C ATOM 2202 C GLU B 66 10.957 6.081 -6.889 1.00 0.00 C ATOM 2203 O GLU B 66 11.257 7.284 -6.889 1.00 0.00 O ATOM 2204 CB GLU B 66 12.294 4.824 -5.160 1.00 0.00 C ATOM 2205 CG GLU B 66 13.299 5.038 -6.294 1.00 0.00 C ATOM 2206 CD GLU B 66 14.688 4.533 -5.899 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.244 5.172 -4.924 1.00 0.00 O ATOM 2208 OE2 GLU B 66 15.197 3.578 -6.504 1.00 0.00 O ATOM 0 H GLU B 66 10.320 3.343 -5.425 1.00 0.00 H new ATOM 0 HA GLU B 66 10.601 6.038 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU B 66 12.639 5.336 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU B 66 12.233 3.763 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU B 66 12.959 4.516 -7.189 1.00 0.00 H new ATOM 0 HG3 GLU B 66 13.351 6.098 -6.543 1.00 0.00 H new ATOM 2215 N LYS B 67 10.665 5.358 -7.985 1.00 0.00 N ATOM 2216 CA LYS B 67 10.675 5.940 -9.315 1.00 0.00 C ATOM 2217 C LYS B 67 9.511 6.924 -9.447 1.00 0.00 C ATOM 2218 O LYS B 67 9.695 7.976 -10.075 1.00 0.00 O ATOM 2219 CB LYS B 67 10.674 4.841 -10.381 1.00 0.00 C ATOM 2220 CG LYS B 67 10.460 5.429 -11.776 1.00 0.00 C ATOM 2221 CD LYS B 67 10.146 4.331 -12.793 1.00 0.00 C ATOM 2222 CE LYS B 67 10.681 4.697 -14.179 1.00 0.00 C ATOM 2223 NZ LYS B 67 9.955 5.855 -14.722 1.00 0.00 N ATOM 0 H LYS B 67 10.420 4.368 -7.963 1.00 0.00 H new ATOM 0 HA LYS B 67 11.592 6.507 -9.474 1.00 0.00 H new ATOM 0 HB2 LYS B 67 11.620 4.301 -10.352 1.00 0.00 H new ATOM 0 HB3 LYS B 67 9.887 4.119 -10.163 1.00 0.00 H new ATOM 0 HG2 LYS B 67 9.642 6.149 -11.749 1.00 0.00 H new ATOM 0 HG3 LYS B 67 11.353 5.972 -12.086 1.00 0.00 H new ATOM 0 HD2 LYS B 67 10.588 3.390 -12.466 1.00 0.00 H new ATOM 0 HD3 LYS B 67 9.068 4.176 -12.845 1.00 0.00 H new ATOM 0 HE2 LYS B 67 11.745 4.924 -14.116 1.00 0.00 H new ATOM 0 HE3 LYS B 67 10.576 3.846 -14.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 10.271 6.038 -15.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 8.934 5.656 -14.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 10.145 6.691 -14.134 1.00 0.00 H new ATOM 2237 N ILE B 68 8.353 6.568 -8.861 1.00 0.00 N ATOM 2238 CA ILE B 68 7.173 7.414 -8.911 1.00 0.00 C ATOM 2239 C ILE B 68 7.329 8.562 -7.914 1.00 0.00 C ATOM 2240 O ILE B 68 6.769 9.640 -8.160 1.00 0.00 O ATOM 2241 CB ILE B 68 5.907 6.581 -8.697 1.00 0.00 C ATOM 2242 CG1 ILE B 68 5.189 6.322 -10.023 1.00 0.00 C ATOM 2243 CG2 ILE B 68 4.987 7.238 -7.665 1.00 0.00 C ATOM 2244 CD1 ILE B 68 4.675 4.883 -10.096 1.00 0.00 C ATOM 0 H ILE B 68 8.221 5.696 -8.349 1.00 0.00 H new ATOM 0 HA ILE B 68 7.069 7.863 -9.899 1.00 0.00 H new ATOM 0 HB ILE B 68 6.200 5.611 -8.296 1.00 0.00 H new ATOM 0 HG12 ILE B 68 4.355 7.016 -10.131 1.00 0.00 H new ATOM 0 HG13 ILE B 68 5.870 6.511 -10.853 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.095 6.626 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE B 68 5.512 7.327 -6.714 1.00 0.00 H new ATOM 0 HG23 ILE B 68 4.698 8.229 -8.014 1.00 0.00 H new ATOM 0 HD11 ILE B 68 4.169 4.725 -11.048 1.00 0.00 H new ATOM 0 HD12 ILE B 68 5.514 4.192 -10.012 1.00 0.00 H new ATOM 0 HD13 ILE B 68 3.975 4.705 -9.279 1.00 0.00 H new ATOM 2256 N LEU B 69 8.077 8.315 -6.823 1.00 0.00 N ATOM 2257 CA LEU B 69 8.305 9.321 -5.800 1.00 0.00 C ATOM 2258 C LEU B 69 9.262 10.385 -6.340 1.00 0.00 C ATOM 2259 O LEU B 69 9.037 11.573 -6.069 1.00 0.00 O ATOM 2260 CB LEU B 69 8.781 8.666 -4.501 1.00 0.00 C ATOM 2261 CG LEU B 69 7.757 7.790 -3.776 1.00 0.00 C ATOM 2262 CD1 LEU B 69 8.132 7.615 -2.304 1.00 0.00 C ATOM 2263 CD2 LEU B 69 6.342 8.344 -3.947 1.00 0.00 C ATOM 0 H LEU B 69 8.530 7.420 -6.638 1.00 0.00 H new ATOM 0 HA LEU B 69 7.373 9.829 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.657 8.057 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU B 69 9.105 9.452 -3.819 1.00 0.00 H new ATOM 0 HG LEU B 69 7.770 6.800 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.389 6.989 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.111 7.141 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.164 8.590 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU B 69 5.634 7.703 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.293 9.352 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.088 8.373 -5.007 1.00 0.00 H new ATOM 2275 N LYS B 70 10.294 9.944 -7.082 1.00 0.00 N ATOM 2276 CA LYS B 70 11.274 10.853 -7.653 1.00 0.00 C ATOM 2277 C LYS B 70 10.565 11.855 -8.566 1.00 0.00 C ATOM 2278 O LYS B 70 11.105 12.951 -8.770 1.00 0.00 O ATOM 2279 CB LYS B 70 12.389 10.069 -8.349 1.00 0.00 C ATOM 2280 CG LYS B 70 11.928 9.558 -9.715 1.00 0.00 C ATOM 2281 CD LYS B 70 12.820 10.101 -10.834 1.00 0.00 C ATOM 2282 CE LYS B 70 12.723 11.625 -10.921 1.00 0.00 C ATOM 2283 NZ LYS B 70 11.417 12.029 -11.469 1.00 0.00 N ATOM 0 H LYS B 70 10.461 8.960 -7.294 1.00 0.00 H new ATOM 0 HA LYS B 70 11.762 11.429 -6.867 1.00 0.00 H new ATOM 0 HB2 LYS B 70 13.265 10.706 -8.472 1.00 0.00 H new ATOM 0 HB3 LYS B 70 12.691 9.228 -7.725 1.00 0.00 H new ATOM 0 HG2 LYS B 70 11.949 8.468 -9.725 1.00 0.00 H new ATOM 0 HG3 LYS B 70 10.895 9.859 -9.890 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.854 9.809 -10.654 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.525 9.659 -11.786 1.00 0.00 H new ATOM 0 HE2 LYS B 70 12.859 12.061 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS B 70 13.524 12.011 -11.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 11.140 12.946 -11.065 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 11.485 12.113 -12.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 10.702 11.314 -11.226 1.00 0.00 H new ATOM 2297 N GLU B 71 9.387 11.466 -9.087 1.00 0.00 N ATOM 2298 CA GLU B 71 8.614 12.324 -9.968 1.00 0.00 C ATOM 2299 C GLU B 71 7.807 13.316 -9.128 1.00 0.00 C ATOM 2300 O GLU B 71 7.392 14.349 -9.672 1.00 0.00 O ATOM 2301 CB GLU B 71 7.698 11.509 -10.885 1.00 0.00 C ATOM 2302 CG GLU B 71 8.162 10.054 -10.970 1.00 0.00 C ATOM 2303 CD GLU B 71 7.279 9.253 -11.929 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.077 9.533 -12.046 1.00 0.00 O ATOM 2305 OE2 GLU B 71 7.884 8.311 -12.568 1.00 0.00 O ATOM 0 H GLU B 71 8.959 10.558 -8.905 1.00 0.00 H new ATOM 0 HA GLU B 71 9.301 12.873 -10.612 1.00 0.00 H new ATOM 0 HB2 GLU B 71 6.675 11.547 -10.510 1.00 0.00 H new ATOM 0 HB3 GLU B 71 7.689 11.950 -11.882 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.198 10.018 -11.307 1.00 0.00 H new ATOM 0 HG3 GLU B 71 8.134 9.601 -9.979 1.00 0.00 H new