USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 774 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN :FLIP amide:sc= -0.16 F(o=-2,f=-0.88) USER MOD Set 1.2: A 62 CYS SG : rot 120:sc= -0.715 USER MOD Set 2.1: A 30 CYS SG : rot 125:sc= -0.469 USER MOD Set 2.2: A 79 CYS SG : rot 108:sc= 1.95 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -54:sc= 0.00816 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -57:sc= 0.342 USER MOD Single : A 6 SER OG : rot 180:sc= -0.106 USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= 1.11 (180deg=0.74) USER MOD Single : A 17 ASN : amide:sc= -0.668 K(o=-0.67,f=-5.2!) USER MOD Single : A 18 GLN : amide:sc= -9.82! C(o=-9.8!,f=-23!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 33 ASN : amide:sc= -2.53! C(o=-2.5!,f=-12!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0528) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0184 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= -0.02 (180deg=-0.26) USER MOD Single : A 65 GLN : amide:sc= 0.106 K(o=0.11,f=-1.9!) USER MOD Single : A 71 MET CE :methyl 155:sc= -2.97! (180deg=-3.72!) USER MOD Single : A 74 THR OG1 : rot 93:sc= -0.903 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.119 USER MOD Single : A 78 SER OG : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot -94:sc= -1.79! USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 86 THR OG1 : rot -160:sc= -0.592 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -165:sc= -0.0606 (180deg=-0.374) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 44:sc= 0.309 USER MOD Single : A 102 SER OG : rot 7:sc= 0.392! USER MOD Single : A 105 SER OG : rot 17:sc= 0.68! USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.353 28.743 11.586 1.00 0.00 N ATOM 2 CA GLY A 1 -10.973 28.190 10.396 1.00 0.00 C ATOM 3 C GLY A 1 -9.958 27.636 9.417 1.00 0.00 C ATOM 4 O GLY A 1 -8.939 28.270 9.143 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.089 29.108 12.223 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.812 28.000 12.073 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.713 29.517 11.316 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.664 27.398 10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.562 28.964 9.904 1.00 0.00 H new ATOM 8 N SER A 2 -10.235 26.448 8.888 1.00 0.00 N ATOM 9 CA SER A 2 -9.335 25.805 7.938 1.00 0.00 C ATOM 10 C SER A 2 -7.924 25.705 8.508 1.00 0.00 C ATOM 11 O SER A 2 -6.941 25.945 7.808 1.00 0.00 O ATOM 12 CB SER A 2 -9.311 26.583 6.621 1.00 0.00 C ATOM 13 OG SER A 2 -8.853 25.768 5.555 1.00 0.00 O ATOM 0 H SER A 2 -11.076 25.911 9.102 1.00 0.00 H new ATOM 0 HA SER A 2 -9.704 24.797 7.750 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.311 26.954 6.396 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.663 27.454 6.721 1.00 0.00 H new ATOM 0 HG SER A 2 -7.989 25.373 5.794 1.00 0.00 H new ATOM 19 N SER A 3 -7.833 25.348 9.786 1.00 0.00 N ATOM 20 CA SER A 3 -6.543 25.219 10.453 1.00 0.00 C ATOM 21 C SER A 3 -5.974 23.816 10.269 1.00 0.00 C ATOM 22 O SER A 3 -4.807 23.648 9.915 1.00 0.00 O ATOM 23 CB SER A 3 -6.682 25.533 11.944 1.00 0.00 C ATOM 24 OG SER A 3 -5.415 25.752 12.540 1.00 0.00 O ATOM 0 H SER A 3 -8.637 25.143 10.379 1.00 0.00 H new ATOM 0 HA SER A 3 -5.855 25.934 10.001 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.307 26.416 12.076 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.186 24.708 12.447 1.00 0.00 H new ATOM 0 HG SER A 3 -5.532 25.952 13.492 1.00 0.00 H new ATOM 30 N GLY A 4 -6.808 22.809 10.512 1.00 0.00 N ATOM 31 CA GLY A 4 -6.371 21.433 10.368 1.00 0.00 C ATOM 32 C GLY A 4 -7.530 20.456 10.341 1.00 0.00 C ATOM 33 O GLY A 4 -7.983 19.990 11.386 1.00 0.00 O ATOM 0 H GLY A 4 -7.778 22.922 10.806 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.794 21.333 9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.705 21.179 11.192 1.00 0.00 H new ATOM 37 N SER A 5 -8.013 20.147 9.142 1.00 0.00 N ATOM 38 CA SER A 5 -9.130 19.223 8.983 1.00 0.00 C ATOM 39 C SER A 5 -10.343 19.697 9.778 1.00 0.00 C ATOM 40 O SER A 5 -11.029 18.899 10.418 1.00 0.00 O ATOM 41 CB SER A 5 -8.727 17.818 9.434 1.00 0.00 C ATOM 42 OG SER A 5 -9.710 16.865 9.072 1.00 0.00 O ATOM 0 H SER A 5 -7.649 20.523 8.267 1.00 0.00 H new ATOM 0 HA SER A 5 -9.398 19.194 7.927 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.771 17.548 8.984 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.585 17.806 10.515 1.00 0.00 H new ATOM 0 HG SER A 5 -10.574 17.124 9.455 1.00 0.00 H new ATOM 48 N SER A 6 -10.601 21.000 9.734 1.00 0.00 N ATOM 49 CA SER A 6 -11.728 21.581 10.453 1.00 0.00 C ATOM 50 C SER A 6 -13.025 20.857 10.106 1.00 0.00 C ATOM 51 O SER A 6 -13.706 20.326 10.983 1.00 0.00 O ATOM 52 CB SER A 6 -11.858 23.070 10.123 1.00 0.00 C ATOM 53 OG SER A 6 -11.952 23.276 8.724 1.00 0.00 O ATOM 0 H SER A 6 -10.044 21.673 9.208 1.00 0.00 H new ATOM 0 HA SER A 6 -11.543 21.467 11.521 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.741 23.479 10.614 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.996 23.609 10.516 1.00 0.00 H new ATOM 0 HG SER A 6 -12.036 24.235 8.539 1.00 0.00 H new ATOM 59 N GLY A 7 -13.362 20.841 8.820 1.00 0.00 N ATOM 60 CA GLY A 7 -14.576 20.180 8.379 1.00 0.00 C ATOM 61 C GLY A 7 -14.296 18.888 7.637 1.00 0.00 C ATOM 62 O GLY A 7 -13.150 18.456 7.510 1.00 0.00 O ATOM 0 H GLY A 7 -12.816 21.274 8.076 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.206 19.970 9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.138 20.853 7.731 1.00 0.00 H new ATOM 66 N PRO A 8 -15.362 18.247 7.134 1.00 0.00 N ATOM 67 CA PRO A 8 -15.251 16.987 6.394 1.00 0.00 C ATOM 68 C PRO A 8 -14.595 17.172 5.030 1.00 0.00 C ATOM 69 O PRO A 8 -14.568 18.276 4.488 1.00 0.00 O ATOM 70 CB PRO A 8 -16.706 16.542 6.231 1.00 0.00 C ATOM 71 CG PRO A 8 -17.498 17.802 6.301 1.00 0.00 C ATOM 72 CD PRO A 8 -16.757 18.704 7.248 1.00 0.00 C ATOM 0 HA PRO A 8 -14.625 16.262 6.915 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -16.859 16.030 5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.998 15.847 7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -17.590 18.261 5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.510 17.608 6.658 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.860 19.752 6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -17.129 18.608 8.268 1.00 0.00 H new ATOM 80 N ALA A 9 -14.066 16.083 4.480 1.00 0.00 N ATOM 81 CA ALA A 9 -13.412 16.125 3.178 1.00 0.00 C ATOM 82 C ALA A 9 -13.914 15.004 2.275 1.00 0.00 C ATOM 83 O ALA A 9 -14.140 13.882 2.730 1.00 0.00 O ATOM 84 CB ALA A 9 -11.902 16.038 3.343 1.00 0.00 C ATOM 0 H ALA A 9 -14.078 15.161 4.916 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.660 17.075 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.426 16.070 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.553 16.878 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.644 15.103 3.841 1.00 0.00 H new ATOM 90 N ARG A 10 -14.087 15.313 0.994 1.00 0.00 N ATOM 91 CA ARG A 10 -14.564 14.331 0.028 1.00 0.00 C ATOM 92 C ARG A 10 -13.476 13.994 -0.987 1.00 0.00 C ATOM 93 O ARG A 10 -12.773 14.879 -1.476 1.00 0.00 O ATOM 94 CB ARG A 10 -15.805 14.857 -0.695 1.00 0.00 C ATOM 95 CG ARG A 10 -15.557 16.133 -1.482 1.00 0.00 C ATOM 96 CD ARG A 10 -16.734 16.470 -2.384 1.00 0.00 C ATOM 97 NE ARG A 10 -17.720 17.308 -1.707 1.00 0.00 N ATOM 98 CZ ARG A 10 -18.994 17.385 -2.073 1.00 0.00 C ATOM 99 NH1 ARG A 10 -19.436 16.677 -3.104 1.00 0.00 N ATOM 100 NH2 ARG A 10 -19.831 18.172 -1.407 1.00 0.00 N ATOM 0 H ARG A 10 -13.904 16.236 0.601 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.825 13.422 0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.173 14.088 -1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.592 15.039 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.378 16.958 -0.792 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.656 16.020 -2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.373 16.983 -3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.210 15.548 -2.718 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.413 17.865 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.797 16.071 -3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -20.415 16.738 -3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -19.495 18.718 -0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.810 18.230 -1.689 1.00 0.00 H new ATOM 114 N PHE A 11 -13.342 12.709 -1.298 1.00 0.00 N ATOM 115 CA PHE A 11 -12.338 12.255 -2.254 1.00 0.00 C ATOM 116 C PHE A 11 -12.646 12.775 -3.655 1.00 0.00 C ATOM 117 O PHE A 11 -13.491 12.224 -4.361 1.00 0.00 O ATOM 118 CB PHE A 11 -12.273 10.726 -2.268 1.00 0.00 C ATOM 119 CG PHE A 11 -11.659 10.140 -1.029 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.282 10.108 -0.872 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.457 9.622 -0.022 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.714 9.569 0.267 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.895 9.082 1.119 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.521 9.056 1.264 1.00 0.00 C ATOM 0 H PHE A 11 -13.915 11.964 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.371 12.651 -1.944 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.281 10.329 -2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.699 10.403 -3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.646 10.508 -1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.531 9.640 -0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.640 9.549 0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.529 8.681 1.896 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.079 8.635 2.155 1.00 0.00 H new ATOM 134 N ILE A 12 -11.955 13.840 -4.048 1.00 0.00 N ATOM 135 CA ILE A 12 -12.154 14.434 -5.364 1.00 0.00 C ATOM 136 C ILE A 12 -11.720 13.479 -6.471 1.00 0.00 C ATOM 137 O ILE A 12 -12.296 13.471 -7.558 1.00 0.00 O ATOM 138 CB ILE A 12 -11.375 15.756 -5.508 1.00 0.00 C ATOM 139 CG1 ILE A 12 -9.873 15.507 -5.356 1.00 0.00 C ATOM 140 CG2 ILE A 12 -11.857 16.768 -4.480 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.021 16.690 -5.760 1.00 0.00 C ATOM 0 H ILE A 12 -11.253 14.308 -3.475 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.221 14.637 -5.460 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.557 16.163 -6.503 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.658 15.252 -4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.593 14.644 -5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.298 17.697 -4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.919 16.963 -4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.700 16.371 -3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.968 16.442 -5.626 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.207 16.932 -6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.273 17.549 -5.139 1.00 0.00 H new ATOM 153 N GLU A 13 -10.702 12.673 -6.184 1.00 0.00 N ATOM 154 CA GLU A 13 -10.192 11.712 -7.155 1.00 0.00 C ATOM 155 C GLU A 13 -10.192 10.301 -6.576 1.00 0.00 C ATOM 156 O GLU A 13 -9.756 10.083 -5.445 1.00 0.00 O ATOM 157 CB GLU A 13 -8.777 12.097 -7.591 1.00 0.00 C ATOM 158 CG GLU A 13 -8.741 13.189 -8.647 1.00 0.00 C ATOM 159 CD GLU A 13 -9.202 12.702 -10.007 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.388 12.333 -10.133 1.00 0.00 O ATOM 161 OE2 GLU A 13 -8.377 12.690 -10.944 1.00 0.00 O ATOM 0 H GLU A 13 -10.215 12.667 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.849 11.729 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.215 12.429 -6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.272 11.212 -7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.373 14.018 -8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.725 13.576 -8.729 1.00 0.00 H new ATOM 168 N ASP A 14 -10.684 9.346 -7.358 1.00 0.00 N ATOM 169 CA ASP A 14 -10.740 7.955 -6.924 1.00 0.00 C ATOM 170 C ASP A 14 -9.533 7.177 -7.436 1.00 0.00 C ATOM 171 O ASP A 14 -9.232 7.192 -8.630 1.00 0.00 O ATOM 172 CB ASP A 14 -12.031 7.298 -7.413 1.00 0.00 C ATOM 173 CG ASP A 14 -13.208 8.255 -7.404 1.00 0.00 C ATOM 174 OD1 ASP A 14 -13.236 9.169 -8.254 1.00 0.00 O ATOM 175 OD2 ASP A 14 -14.100 8.090 -6.545 1.00 0.00 O ATOM 0 H ASP A 14 -11.050 9.510 -8.296 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.724 7.939 -5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.882 6.920 -8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.260 6.439 -6.782 1.00 0.00 H new ATOM 180 N VAL A 15 -8.843 6.497 -6.525 1.00 0.00 N ATOM 181 CA VAL A 15 -7.668 5.713 -6.884 1.00 0.00 C ATOM 182 C VAL A 15 -7.944 4.835 -8.100 1.00 0.00 C ATOM 183 O VAL A 15 -9.096 4.542 -8.419 1.00 0.00 O ATOM 184 CB VAL A 15 -7.209 4.822 -5.715 1.00 0.00 C ATOM 185 CG1 VAL A 15 -6.910 5.666 -4.485 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.260 3.767 -5.405 1.00 0.00 C ATOM 0 H VAL A 15 -9.078 6.474 -5.533 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.875 6.422 -7.123 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.291 4.313 -6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.587 5.019 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.119 6.380 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.809 6.205 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.919 3.146 -4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.196 4.255 -5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.419 3.143 -6.284 1.00 0.00 H new ATOM 196 N LYS A 16 -6.878 4.417 -8.775 1.00 0.00 N ATOM 197 CA LYS A 16 -7.004 3.571 -9.956 1.00 0.00 C ATOM 198 C LYS A 16 -6.870 2.097 -9.585 1.00 0.00 C ATOM 199 O LYS A 16 -6.255 1.755 -8.576 1.00 0.00 O ATOM 200 CB LYS A 16 -5.943 3.946 -10.993 1.00 0.00 C ATOM 201 CG LYS A 16 -5.829 5.441 -11.233 1.00 0.00 C ATOM 202 CD LYS A 16 -7.161 6.041 -11.651 1.00 0.00 C ATOM 203 CE LYS A 16 -7.129 7.561 -11.596 1.00 0.00 C ATOM 204 NZ LYS A 16 -7.469 8.074 -10.239 1.00 0.00 N ATOM 0 H LYS A 16 -5.917 4.650 -8.524 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.993 3.732 -10.384 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.976 3.564 -10.665 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.178 3.452 -11.936 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.477 5.931 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.085 5.631 -12.006 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.406 5.717 -12.663 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.950 5.669 -10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.138 7.914 -11.880 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.832 7.966 -12.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.735 9.077 -10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.266 7.529 -9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.644 7.974 -9.613 1.00 0.00 H new ATOM 218 N ASN A 17 -7.448 1.229 -10.409 1.00 0.00 N ATOM 219 CA ASN A 17 -7.392 -0.208 -10.168 1.00 0.00 C ATOM 220 C ASN A 17 -5.951 -0.670 -9.970 1.00 0.00 C ATOM 221 O ASN A 17 -5.096 -0.452 -10.828 1.00 0.00 O ATOM 222 CB ASN A 17 -8.027 -0.967 -11.335 1.00 0.00 C ATOM 223 CG ASN A 17 -7.358 -0.655 -12.660 1.00 0.00 C ATOM 224 OD1 ASN A 17 -6.734 0.393 -12.821 1.00 0.00 O ATOM 225 ND2 ASN A 17 -7.487 -1.568 -13.616 1.00 0.00 N ATOM 0 H ASN A 17 -7.961 1.496 -11.250 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.952 -0.421 -9.257 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.966 -2.038 -11.144 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.085 -0.714 -11.397 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.059 -1.414 -14.529 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.014 -2.423 -13.437 1.00 0.00 H new ATOM 232 N GLN A 18 -5.692 -1.310 -8.834 1.00 0.00 N ATOM 233 CA GLN A 18 -4.355 -1.802 -8.523 1.00 0.00 C ATOM 234 C GLN A 18 -4.077 -3.115 -9.249 1.00 0.00 C ATOM 235 O GLN A 18 -4.916 -4.014 -9.266 1.00 0.00 O ATOM 236 CB GLN A 18 -4.198 -1.997 -7.014 1.00 0.00 C ATOM 237 CG GLN A 18 -2.778 -1.778 -6.517 1.00 0.00 C ATOM 238 CD GLN A 18 -2.513 -0.340 -6.120 1.00 0.00 C ATOM 239 OE1 GLN A 18 -1.752 -0.070 -5.191 1.00 0.00 O ATOM 240 NE2 GLN A 18 -3.142 0.595 -6.824 1.00 0.00 N ATOM 0 H GLN A 18 -6.390 -1.500 -8.115 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.633 -1.059 -8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.866 -1.309 -6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.514 -3.007 -6.752 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.593 -2.427 -5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.075 -2.071 -7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.764 0.327 -7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.002 1.581 -6.602 1.00 0.00 H new ATOM 249 N GLU A 19 -2.893 -3.216 -9.846 1.00 0.00 N ATOM 250 CA GLU A 19 -2.506 -4.419 -10.574 1.00 0.00 C ATOM 251 C GLU A 19 -0.993 -4.612 -10.538 1.00 0.00 C ATOM 252 O GLU A 19 -0.239 -3.795 -11.066 1.00 0.00 O ATOM 253 CB GLU A 19 -2.987 -4.341 -12.024 1.00 0.00 C ATOM 254 CG GLU A 19 -2.789 -5.632 -12.801 1.00 0.00 C ATOM 255 CD GLU A 19 -3.500 -5.622 -14.140 1.00 0.00 C ATOM 256 OE1 GLU A 19 -4.746 -5.710 -14.150 1.00 0.00 O ATOM 257 OE2 GLU A 19 -2.812 -5.526 -15.177 1.00 0.00 O ATOM 0 H GLU A 19 -2.186 -2.480 -9.840 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.976 -5.274 -10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.045 -4.080 -12.033 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.455 -3.536 -12.532 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.723 -5.795 -12.961 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.154 -6.469 -12.206 1.00 0.00 H new ATOM 264 N ALA A 20 -0.556 -5.700 -9.911 1.00 0.00 N ATOM 265 CA ALA A 20 0.866 -6.002 -9.807 1.00 0.00 C ATOM 266 C ALA A 20 1.099 -7.503 -9.668 1.00 0.00 C ATOM 267 O ALA A 20 0.355 -8.194 -8.972 1.00 0.00 O ATOM 268 CB ALA A 20 1.479 -5.259 -8.629 1.00 0.00 C ATOM 0 H ALA A 20 -1.167 -6.386 -9.468 1.00 0.00 H new ATOM 0 HA ALA A 20 1.351 -5.669 -10.724 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.541 -5.494 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.353 -4.186 -8.770 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.982 -5.564 -7.708 1.00 0.00 H new ATOM 274 N ARG A 21 2.136 -8.000 -10.334 1.00 0.00 N ATOM 275 CA ARG A 21 2.466 -9.419 -10.286 1.00 0.00 C ATOM 276 C ARG A 21 2.893 -9.831 -8.880 1.00 0.00 C ATOM 277 O ARG A 21 3.459 -9.032 -8.135 1.00 0.00 O ATOM 278 CB ARG A 21 3.580 -9.740 -11.284 1.00 0.00 C ATOM 279 CG ARG A 21 4.872 -8.985 -11.017 1.00 0.00 C ATOM 280 CD ARG A 21 6.086 -9.777 -11.477 1.00 0.00 C ATOM 281 NE ARG A 21 7.191 -8.907 -11.870 1.00 0.00 N ATOM 282 CZ ARG A 21 8.440 -9.330 -12.024 1.00 0.00 C ATOM 283 NH1 ARG A 21 8.742 -10.604 -11.820 1.00 0.00 N ATOM 284 NH2 ARG A 21 9.391 -8.477 -12.384 1.00 0.00 N ATOM 0 H ARG A 21 2.762 -7.441 -10.913 1.00 0.00 H new ATOM 0 HA ARG A 21 1.573 -9.983 -10.556 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.783 -10.811 -11.258 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.233 -9.506 -12.291 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.846 -8.025 -11.532 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.957 -8.773 -9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.413 -10.438 -10.674 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.807 -10.411 -12.318 1.00 0.00 H new ATOM 0 HE ARG A 21 6.992 -7.920 -12.035 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.014 -11.263 -11.544 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.703 -10.926 -11.939 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.163 -7.496 -12.543 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.350 -8.803 -12.502 1.00 0.00 H new ATOM 298 N GLU A 22 2.616 -11.082 -8.526 1.00 0.00 N ATOM 299 CA GLU A 22 2.971 -11.598 -7.209 1.00 0.00 C ATOM 300 C GLU A 22 4.400 -11.211 -6.839 1.00 0.00 C ATOM 301 O GLU A 22 5.276 -11.135 -7.700 1.00 0.00 O ATOM 302 CB GLU A 22 2.818 -13.120 -7.175 1.00 0.00 C ATOM 303 CG GLU A 22 1.432 -13.584 -6.758 1.00 0.00 C ATOM 304 CD GLU A 22 1.387 -15.063 -6.427 1.00 0.00 C ATOM 305 OE1 GLU A 22 1.980 -15.460 -5.402 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.760 -15.824 -7.193 1.00 0.00 O ATOM 0 H GLU A 22 2.148 -11.756 -9.132 1.00 0.00 H new ATOM 0 HA GLU A 22 2.293 -11.155 -6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.044 -13.521 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.553 -13.535 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.107 -13.011 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.726 -13.374 -7.561 1.00 0.00 H new ATOM 313 N GLY A 23 4.627 -10.967 -5.552 1.00 0.00 N ATOM 314 CA GLY A 23 5.950 -10.591 -5.091 1.00 0.00 C ATOM 315 C GLY A 23 6.317 -9.172 -5.479 1.00 0.00 C ATOM 316 O GLY A 23 7.486 -8.869 -5.714 1.00 0.00 O ATOM 0 H GLY A 23 3.918 -11.023 -4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.996 -10.691 -4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.686 -11.280 -5.506 1.00 0.00 H new ATOM 320 N ALA A 24 5.316 -8.301 -5.547 1.00 0.00 N ATOM 321 CA ALA A 24 5.539 -6.907 -5.909 1.00 0.00 C ATOM 322 C ALA A 24 5.013 -5.968 -4.829 1.00 0.00 C ATOM 323 O ALA A 24 4.550 -6.411 -3.778 1.00 0.00 O ATOM 324 CB ALA A 24 4.883 -6.597 -7.247 1.00 0.00 C ATOM 0 H ALA A 24 4.342 -8.536 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 24 6.614 -6.749 -5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.058 -5.552 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.310 -7.237 -8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.811 -6.779 -7.177 1.00 0.00 H new ATOM 330 N THR A 25 5.088 -4.667 -5.094 1.00 0.00 N ATOM 331 CA THR A 25 4.621 -3.666 -4.144 1.00 0.00 C ATOM 332 C THR A 25 3.565 -2.763 -4.772 1.00 0.00 C ATOM 333 O THR A 25 3.872 -1.933 -5.627 1.00 0.00 O ATOM 334 CB THR A 25 5.782 -2.796 -3.629 1.00 0.00 C ATOM 335 OG1 THR A 25 6.797 -3.625 -3.052 1.00 0.00 O ATOM 336 CG2 THR A 25 5.291 -1.794 -2.595 1.00 0.00 C ATOM 0 H THR A 25 5.468 -4.283 -5.959 1.00 0.00 H new ATOM 0 HA THR A 25 4.182 -4.207 -3.306 1.00 0.00 H new ATOM 0 HB THR A 25 6.198 -2.248 -4.474 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.533 -3.064 -2.728 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.129 -1.191 -2.246 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.540 -1.145 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.852 -2.327 -1.752 1.00 0.00 H new ATOM 344 N ALA A 26 2.318 -2.930 -4.341 1.00 0.00 N ATOM 345 CA ALA A 26 1.217 -2.128 -4.859 1.00 0.00 C ATOM 346 C ALA A 26 1.297 -0.692 -4.350 1.00 0.00 C ATOM 347 O ALA A 26 1.910 -0.422 -3.317 1.00 0.00 O ATOM 348 CB ALA A 26 -0.116 -2.752 -4.476 1.00 0.00 C ATOM 0 H ALA A 26 2.046 -3.614 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 26 1.296 -2.106 -5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.929 -2.142 -4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.181 -3.757 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.194 -2.805 -3.390 1.00 0.00 H new ATOM 354 N VAL A 27 0.673 0.225 -5.082 1.00 0.00 N ATOM 355 CA VAL A 27 0.673 1.634 -4.704 1.00 0.00 C ATOM 356 C VAL A 27 -0.692 2.268 -4.948 1.00 0.00 C ATOM 357 O VAL A 27 -1.103 2.461 -6.093 1.00 0.00 O ATOM 358 CB VAL A 27 1.741 2.424 -5.483 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.731 3.887 -5.068 1.00 0.00 C ATOM 360 CG2 VAL A 27 3.117 1.811 -5.271 1.00 0.00 C ATOM 0 H VAL A 27 0.161 0.018 -5.940 1.00 0.00 H new ATOM 0 HA VAL A 27 0.905 1.677 -3.640 1.00 0.00 H new ATOM 0 HB VAL A 27 1.504 2.371 -6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.492 4.429 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.751 4.317 -5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.942 3.964 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.859 2.382 -5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.365 1.832 -4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.114 0.779 -5.622 1.00 0.00 H new ATOM 370 N LEU A 28 -1.390 2.592 -3.865 1.00 0.00 N ATOM 371 CA LEU A 28 -2.710 3.206 -3.961 1.00 0.00 C ATOM 372 C LEU A 28 -2.653 4.682 -3.579 1.00 0.00 C ATOM 373 O LEU A 28 -2.478 5.023 -2.410 1.00 0.00 O ATOM 374 CB LEU A 28 -3.702 2.472 -3.058 1.00 0.00 C ATOM 375 CG LEU A 28 -4.315 1.194 -3.633 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.647 0.214 -2.519 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.558 1.519 -4.449 1.00 0.00 C ATOM 0 H LEU A 28 -1.064 2.440 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.045 3.130 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.197 2.221 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.511 3.158 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.584 0.728 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.082 -0.689 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.737 -0.043 -1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.360 0.671 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.981 0.598 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.294 2.009 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.290 2.184 -5.271 1.00 0.00 H new ATOM 389 N GLN A 29 -2.803 5.551 -4.573 1.00 0.00 N ATOM 390 CA GLN A 29 -2.770 6.990 -4.341 1.00 0.00 C ATOM 391 C GLN A 29 -4.134 7.617 -4.611 1.00 0.00 C ATOM 392 O GLN A 29 -4.867 7.173 -5.496 1.00 0.00 O ATOM 393 CB GLN A 29 -1.709 7.647 -5.225 1.00 0.00 C ATOM 394 CG GLN A 29 -0.291 7.202 -4.907 1.00 0.00 C ATOM 395 CD GLN A 29 0.744 7.879 -5.783 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.444 8.846 -6.484 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.971 7.373 -5.750 1.00 0.00 N ATOM 0 H GLN A 29 -2.949 5.284 -5.547 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.515 7.157 -3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.927 7.420 -6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.775 8.729 -5.114 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.073 7.417 -3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.217 6.122 -5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.176 6.571 -5.155 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.709 7.787 -6.320 1.00 0.00 H new ATOM 406 N CYS A 30 -4.467 8.649 -3.845 1.00 0.00 N ATOM 407 CA CYS A 30 -5.744 9.337 -4.002 1.00 0.00 C ATOM 408 C CYS A 30 -5.596 10.829 -3.726 1.00 0.00 C ATOM 409 O CYS A 30 -4.499 11.312 -3.446 1.00 0.00 O ATOM 410 CB CYS A 30 -6.790 8.734 -3.063 1.00 0.00 C ATOM 411 SG CYS A 30 -6.730 9.382 -1.376 1.00 0.00 S ATOM 0 H CYS A 30 -3.871 9.028 -3.109 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.073 9.208 -5.033 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.782 8.917 -3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.653 7.653 -3.031 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.898 9.848 -1.048 1.00 0.00 H new ATOM 417 N GLU A 31 -6.707 11.555 -3.808 1.00 0.00 N ATOM 418 CA GLU A 31 -6.699 12.993 -3.569 1.00 0.00 C ATOM 419 C GLU A 31 -7.940 13.423 -2.793 1.00 0.00 C ATOM 420 O GLU A 31 -8.968 12.744 -2.818 1.00 0.00 O ATOM 421 CB GLU A 31 -6.625 13.752 -4.896 1.00 0.00 C ATOM 422 CG GLU A 31 -6.143 15.186 -4.751 1.00 0.00 C ATOM 423 CD GLU A 31 -5.584 15.747 -6.044 1.00 0.00 C ATOM 424 OE1 GLU A 31 -5.975 15.254 -7.123 1.00 0.00 O ATOM 425 OE2 GLU A 31 -4.756 16.680 -5.976 1.00 0.00 O ATOM 0 H GLU A 31 -7.623 11.171 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.819 13.231 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.957 13.220 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.612 13.754 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.970 15.811 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.376 15.231 -3.978 1.00 0.00 H new ATOM 432 N LEU A 32 -7.837 14.554 -2.103 1.00 0.00 N ATOM 433 CA LEU A 32 -8.950 15.075 -1.318 1.00 0.00 C ATOM 434 C LEU A 32 -9.208 16.542 -1.646 1.00 0.00 C ATOM 435 O LEU A 32 -8.306 17.260 -2.075 1.00 0.00 O ATOM 436 CB LEU A 32 -8.664 14.918 0.177 1.00 0.00 C ATOM 437 CG LEU A 32 -8.555 13.482 0.691 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.634 13.417 1.900 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.931 12.933 1.037 1.00 0.00 C ATOM 0 H LEU A 32 -6.994 15.127 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.841 14.502 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.733 15.436 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.454 15.423 0.733 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.128 12.865 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.568 12.388 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.641 13.769 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.032 14.048 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.834 11.910 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.386 13.552 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.561 12.943 0.148 1.00 0.00 H new ATOM 451 N ASN A 33 -10.445 16.981 -1.438 1.00 0.00 N ATOM 452 CA ASN A 33 -10.822 18.364 -1.711 1.00 0.00 C ATOM 453 C ASN A 33 -10.203 19.308 -0.684 1.00 0.00 C ATOM 454 O ASN A 33 -10.095 20.511 -0.919 1.00 0.00 O ATOM 455 CB ASN A 33 -12.345 18.510 -1.702 1.00 0.00 C ATOM 456 CG ASN A 33 -12.946 18.223 -0.340 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.330 17.560 0.495 1.00 0.00 O ATOM 458 ND2 ASN A 33 -14.155 18.722 -0.110 1.00 0.00 N ATOM 0 H ASN A 33 -11.203 16.400 -1.081 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.444 18.630 -2.698 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.612 19.522 -2.008 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.777 17.830 -2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.610 18.562 0.788 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.628 19.266 -0.832 1.00 0.00 H new ATOM 465 N SER A 34 -9.798 18.753 0.454 1.00 0.00 N ATOM 466 CA SER A 34 -9.192 19.546 1.517 1.00 0.00 C ATOM 467 C SER A 34 -8.252 18.692 2.363 1.00 0.00 C ATOM 468 O SER A 34 -8.521 17.519 2.617 1.00 0.00 O ATOM 469 CB SER A 34 -10.277 20.161 2.404 1.00 0.00 C ATOM 470 OG SER A 34 -9.724 21.105 3.305 1.00 0.00 O ATOM 0 H SER A 34 -9.879 17.758 0.663 1.00 0.00 H new ATOM 0 HA SER A 34 -8.612 20.346 1.056 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.029 20.645 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.784 19.374 2.962 1.00 0.00 H new ATOM 0 HG SER A 34 -10.437 21.485 3.859 1.00 0.00 H new ATOM 476 N ALA A 35 -7.148 19.292 2.796 1.00 0.00 N ATOM 477 CA ALA A 35 -6.168 18.589 3.615 1.00 0.00 C ATOM 478 C ALA A 35 -6.843 17.845 4.762 1.00 0.00 C ATOM 479 O ALA A 35 -7.393 18.461 5.674 1.00 0.00 O ATOM 480 CB ALA A 35 -5.132 19.564 4.153 1.00 0.00 C ATOM 0 H ALA A 35 -6.910 20.263 2.593 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.666 17.854 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.407 19.025 4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.619 20.046 3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.626 20.321 4.762 1.00 0.00 H new ATOM 486 N ALA A 36 -6.798 16.518 4.709 1.00 0.00 N ATOM 487 CA ALA A 36 -7.404 15.691 5.745 1.00 0.00 C ATOM 488 C ALA A 36 -6.858 14.268 5.702 1.00 0.00 C ATOM 489 O ALA A 36 -6.465 13.760 4.651 1.00 0.00 O ATOM 490 CB ALA A 36 -8.918 15.682 5.594 1.00 0.00 C ATOM 0 H ALA A 36 -6.348 15.993 3.959 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.148 16.121 6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.358 15.061 6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.299 16.700 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.184 15.279 4.617 1.00 0.00 H new ATOM 496 N PRO A 37 -6.830 13.608 6.869 1.00 0.00 N ATOM 497 CA PRO A 37 -6.333 12.234 6.990 1.00 0.00 C ATOM 498 C PRO A 37 -7.261 11.222 6.327 1.00 0.00 C ATOM 499 O PRO A 37 -8.341 11.572 5.853 1.00 0.00 O ATOM 500 CB PRO A 37 -6.286 12.006 8.503 1.00 0.00 C ATOM 501 CG PRO A 37 -7.299 12.947 9.059 1.00 0.00 C ATOM 502 CD PRO A 37 -7.283 14.152 8.160 1.00 0.00 C ATOM 0 HA PRO A 37 -5.370 12.103 6.496 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.525 10.973 8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.293 12.211 8.904 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.288 12.489 9.079 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.054 13.222 10.085 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.270 14.607 8.080 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.606 14.922 8.531 1.00 0.00 H new ATOM 510 N VAL A 38 -6.832 9.964 6.298 1.00 0.00 N ATOM 511 CA VAL A 38 -7.625 8.900 5.694 1.00 0.00 C ATOM 512 C VAL A 38 -7.266 7.542 6.289 1.00 0.00 C ATOM 513 O VAL A 38 -6.369 7.438 7.124 1.00 0.00 O ATOM 514 CB VAL A 38 -7.426 8.848 4.168 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.849 10.162 3.529 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.979 8.523 3.830 1.00 0.00 C ATOM 0 H VAL A 38 -5.940 9.657 6.686 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.670 9.123 5.909 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.056 8.056 3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.701 10.106 2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.902 10.348 3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.248 10.975 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.857 8.490 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.327 9.291 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.715 7.554 4.254 1.00 0.00 H new ATOM 526 N GLU A 39 -7.973 6.505 5.850 1.00 0.00 N ATOM 527 CA GLU A 39 -7.728 5.154 6.340 1.00 0.00 C ATOM 528 C GLU A 39 -7.856 4.135 5.211 1.00 0.00 C ATOM 529 O GLU A 39 -8.878 4.076 4.527 1.00 0.00 O ATOM 530 CB GLU A 39 -8.707 4.810 7.465 1.00 0.00 C ATOM 531 CG GLU A 39 -8.272 3.623 8.308 1.00 0.00 C ATOM 532 CD GLU A 39 -7.420 4.030 9.495 1.00 0.00 C ATOM 533 OE1 GLU A 39 -7.995 4.404 10.538 1.00 0.00 O ATOM 534 OE2 GLU A 39 -6.178 3.975 9.379 1.00 0.00 O ATOM 0 H GLU A 39 -8.718 6.575 5.157 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.710 5.115 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.825 5.680 8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.685 4.599 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.155 3.092 8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.711 2.926 7.685 1.00 0.00 H new ATOM 541 N TRP A 40 -6.813 3.334 5.024 1.00 0.00 N ATOM 542 CA TRP A 40 -6.808 2.318 3.978 1.00 0.00 C ATOM 543 C TRP A 40 -7.352 0.994 4.503 1.00 0.00 C ATOM 544 O TRP A 40 -6.715 0.332 5.323 1.00 0.00 O ATOM 545 CB TRP A 40 -5.391 2.122 3.435 1.00 0.00 C ATOM 546 CG TRP A 40 -4.822 3.357 2.804 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.038 4.298 3.407 1.00 0.00 C ATOM 548 CD2 TRP A 40 -4.993 3.783 1.448 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.712 5.285 2.508 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.285 4.992 1.299 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.674 3.262 0.345 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.241 5.684 0.092 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.630 3.950 -0.852 1.00 0.00 C ATOM 554 CH2 TRP A 40 -4.917 5.151 -0.971 1.00 0.00 C ATOM 0 H TRP A 40 -5.960 3.368 5.583 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.455 2.661 3.170 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.738 1.804 4.248 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.399 1.317 2.700 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.721 4.271 4.439 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.137 6.103 2.709 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.225 2.337 0.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.692 6.609 -0.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.154 3.556 -1.710 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.901 5.665 -1.920 1.00 0.00 H new ATOM 565 N ARG A 41 -8.532 0.613 4.026 1.00 0.00 N ATOM 566 CA ARG A 41 -9.161 -0.633 4.449 1.00 0.00 C ATOM 567 C ARG A 41 -8.890 -1.748 3.443 1.00 0.00 C ATOM 568 O ARG A 41 -8.144 -1.563 2.481 1.00 0.00 O ATOM 569 CB ARG A 41 -10.669 -0.436 4.615 1.00 0.00 C ATOM 570 CG ARG A 41 -11.035 0.741 5.504 1.00 0.00 C ATOM 571 CD ARG A 41 -12.541 0.947 5.563 1.00 0.00 C ATOM 572 NE ARG A 41 -12.944 1.697 6.749 1.00 0.00 N ATOM 573 CZ ARG A 41 -14.171 1.662 7.259 1.00 0.00 C ATOM 574 NH1 ARG A 41 -15.108 0.917 6.689 1.00 0.00 N ATOM 575 NH2 ARG A 41 -14.461 2.372 8.342 1.00 0.00 N ATOM 0 H ARG A 41 -9.072 1.149 3.347 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.731 -0.921 5.408 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.118 -0.292 3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.102 -1.345 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.650 0.572 6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.557 1.645 5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.870 1.478 4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.040 -0.022 5.560 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.246 2.280 7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.888 0.369 5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.049 0.892 7.082 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.742 2.945 8.784 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.403 2.345 8.733 1.00 0.00 H new ATOM 589 N LYS A 42 -9.501 -2.905 3.672 1.00 0.00 N ATOM 590 CA LYS A 42 -9.328 -4.051 2.786 1.00 0.00 C ATOM 591 C LYS A 42 -10.361 -5.132 3.087 1.00 0.00 C ATOM 592 O LYS A 42 -10.547 -5.523 4.238 1.00 0.00 O ATOM 593 CB LYS A 42 -7.917 -4.624 2.931 1.00 0.00 C ATOM 594 CG LYS A 42 -7.559 -5.638 1.858 1.00 0.00 C ATOM 595 CD LYS A 42 -6.577 -6.675 2.375 1.00 0.00 C ATOM 596 CE LYS A 42 -6.552 -7.910 1.488 1.00 0.00 C ATOM 597 NZ LYS A 42 -5.597 -8.936 1.991 1.00 0.00 N ATOM 0 H LYS A 42 -10.121 -3.075 4.464 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.472 -3.711 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.197 -3.806 2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.824 -5.095 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.464 -6.135 1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.127 -5.123 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.579 -6.240 2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.849 -6.961 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.552 -8.340 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.275 -7.623 0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.671 -9.794 1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.627 -8.564 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.825 -9.167 2.979 1.00 0.00 H new ATOM 611 N GLY A 43 -11.030 -5.612 2.043 1.00 0.00 N ATOM 612 CA GLY A 43 -12.035 -6.644 2.217 1.00 0.00 C ATOM 613 C GLY A 43 -12.789 -6.505 3.524 1.00 0.00 C ATOM 614 O GLY A 43 -13.023 -7.492 4.222 1.00 0.00 O ATOM 0 H GLY A 43 -10.894 -5.304 1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.741 -6.602 1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.557 -7.623 2.180 1.00 0.00 H new ATOM 618 N SER A 44 -13.170 -5.276 3.858 1.00 0.00 N ATOM 619 CA SER A 44 -13.897 -5.010 5.093 1.00 0.00 C ATOM 620 C SER A 44 -12.970 -5.107 6.301 1.00 0.00 C ATOM 621 O SER A 44 -13.286 -5.772 7.287 1.00 0.00 O ATOM 622 CB SER A 44 -15.059 -5.994 5.248 1.00 0.00 C ATOM 623 OG SER A 44 -15.747 -6.167 4.022 1.00 0.00 O ATOM 0 H SER A 44 -12.987 -4.449 3.290 1.00 0.00 H new ATOM 0 HA SER A 44 -14.293 -3.996 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.681 -6.956 5.596 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.750 -5.629 6.008 1.00 0.00 H new ATOM 0 HG SER A 44 -16.484 -6.801 4.147 1.00 0.00 H new ATOM 629 N GLU A 45 -11.825 -4.437 6.215 1.00 0.00 N ATOM 630 CA GLU A 45 -10.851 -4.448 7.300 1.00 0.00 C ATOM 631 C GLU A 45 -9.975 -3.199 7.258 1.00 0.00 C ATOM 632 O GLU A 45 -9.459 -2.824 6.204 1.00 0.00 O ATOM 633 CB GLU A 45 -9.977 -5.701 7.219 1.00 0.00 C ATOM 634 CG GLU A 45 -8.695 -5.498 6.428 1.00 0.00 C ATOM 635 CD GLU A 45 -8.084 -6.806 5.963 1.00 0.00 C ATOM 636 OE1 GLU A 45 -8.461 -7.283 4.872 1.00 0.00 O ATOM 637 OE2 GLU A 45 -7.228 -7.351 6.690 1.00 0.00 O ATOM 0 H GLU A 45 -11.549 -3.880 5.406 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.397 -4.456 8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.724 -6.023 8.229 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.552 -6.506 6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.902 -4.870 5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.973 -4.963 7.044 1.00 0.00 H new ATOM 644 N THR A 46 -9.811 -2.558 8.411 1.00 0.00 N ATOM 645 CA THR A 46 -9.000 -1.351 8.506 1.00 0.00 C ATOM 646 C THR A 46 -7.518 -1.692 8.617 1.00 0.00 C ATOM 647 O THR A 46 -7.121 -2.524 9.434 1.00 0.00 O ATOM 648 CB THR A 46 -9.409 -0.494 9.718 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.783 -0.105 9.602 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.534 0.746 9.824 1.00 0.00 C ATOM 0 H THR A 46 -10.230 -2.855 9.292 1.00 0.00 H new ATOM 0 HA THR A 46 -9.172 -0.782 7.593 1.00 0.00 H new ATOM 0 HB THR A 46 -9.276 -1.092 10.619 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.036 0.438 10.377 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.842 1.336 10.687 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.492 0.447 9.941 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.640 1.345 8.919 1.00 0.00 H new ATOM 658 N LEU A 47 -6.704 -1.045 7.790 1.00 0.00 N ATOM 659 CA LEU A 47 -5.264 -1.280 7.796 1.00 0.00 C ATOM 660 C LEU A 47 -4.532 -0.157 8.524 1.00 0.00 C ATOM 661 O LEU A 47 -5.139 0.838 8.920 1.00 0.00 O ATOM 662 CB LEU A 47 -4.741 -1.399 6.363 1.00 0.00 C ATOM 663 CG LEU A 47 -5.598 -2.225 5.403 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.196 -1.955 3.961 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.479 -3.708 5.722 1.00 0.00 C ATOM 0 H LEU A 47 -7.016 -0.354 7.107 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.076 -2.215 8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.635 -0.395 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.743 -1.837 6.397 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.639 -1.929 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.817 -2.552 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.334 -0.897 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.149 -2.222 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.096 -4.280 5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.439 -4.019 5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.817 -3.889 6.742 1.00 0.00 H new ATOM 677 N ARG A 48 -3.225 -0.323 8.695 1.00 0.00 N ATOM 678 CA ARG A 48 -2.410 0.677 9.374 1.00 0.00 C ATOM 679 C ARG A 48 -0.987 0.685 8.823 1.00 0.00 C ATOM 680 O ARG A 48 -0.487 -0.337 8.354 1.00 0.00 O ATOM 681 CB ARG A 48 -2.384 0.408 10.880 1.00 0.00 C ATOM 682 CG ARG A 48 -3.757 0.448 11.530 1.00 0.00 C ATOM 683 CD ARG A 48 -4.241 1.876 11.722 1.00 0.00 C ATOM 684 NE ARG A 48 -3.493 2.572 12.766 1.00 0.00 N ATOM 685 CZ ARG A 48 -3.978 3.596 13.460 1.00 0.00 C ATOM 686 NH1 ARG A 48 -5.204 4.041 13.221 1.00 0.00 N ATOM 687 NH2 ARG A 48 -3.236 4.176 14.394 1.00 0.00 N ATOM 0 H ARG A 48 -2.707 -1.141 8.373 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.856 1.655 9.194 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.935 -0.569 11.058 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.742 1.146 11.361 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.469 -0.099 10.912 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.719 -0.057 12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.145 2.421 10.783 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.300 1.868 11.979 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.546 2.254 12.974 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.777 3.597 12.503 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.574 4.827 13.755 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.292 3.836 14.580 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.609 4.962 14.926 1.00 0.00 H new ATOM 701 N ASP A 49 -0.342 1.845 8.883 1.00 0.00 N ATOM 702 CA ASP A 49 1.024 1.986 8.391 1.00 0.00 C ATOM 703 C ASP A 49 2.002 1.215 9.272 1.00 0.00 C ATOM 704 O ASP A 49 1.911 1.254 10.499 1.00 0.00 O ATOM 705 CB ASP A 49 1.419 3.462 8.338 1.00 0.00 C ATOM 706 CG ASP A 49 2.051 3.939 9.631 1.00 0.00 C ATOM 707 OD1 ASP A 49 1.431 3.752 10.699 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.166 4.497 9.576 1.00 0.00 O ATOM 0 H ASP A 49 -0.743 2.701 9.267 1.00 0.00 H new ATOM 0 HA ASP A 49 1.066 1.570 7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.118 3.619 7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.536 4.064 8.125 1.00 0.00 H new ATOM 713 N GLY A 50 2.936 0.514 8.638 1.00 0.00 N ATOM 714 CA GLY A 50 3.917 -0.257 9.380 1.00 0.00 C ATOM 715 C GLY A 50 5.048 -0.754 8.502 1.00 0.00 C ATOM 716 O GLY A 50 5.651 0.020 7.758 1.00 0.00 O ATOM 0 H GLY A 50 3.031 0.466 7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.327 0.357 10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.425 -1.108 9.850 1.00 0.00 H new ATOM 720 N ASP A 51 5.340 -2.047 8.591 1.00 0.00 N ATOM 721 CA ASP A 51 6.407 -2.646 7.799 1.00 0.00 C ATOM 722 C ASP A 51 5.915 -2.995 6.398 1.00 0.00 C ATOM 723 O ASP A 51 6.461 -2.521 5.401 1.00 0.00 O ATOM 724 CB ASP A 51 6.943 -3.900 8.492 1.00 0.00 C ATOM 725 CG ASP A 51 8.408 -4.148 8.189 1.00 0.00 C ATOM 726 OD1 ASP A 51 9.252 -3.360 8.665 1.00 0.00 O ATOM 727 OD2 ASP A 51 8.710 -5.128 7.477 1.00 0.00 O ATOM 0 H ASP A 51 4.852 -2.700 9.204 1.00 0.00 H new ATOM 0 HA ASP A 51 7.212 -1.917 7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.810 -3.801 9.569 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.358 -4.764 8.176 1.00 0.00 H new ATOM 732 N ARG A 52 4.881 -3.826 6.330 1.00 0.00 N ATOM 733 CA ARG A 52 4.316 -4.240 5.051 1.00 0.00 C ATOM 734 C ARG A 52 3.558 -3.091 4.393 1.00 0.00 C ATOM 735 O ARG A 52 3.699 -2.846 3.195 1.00 0.00 O ATOM 736 CB ARG A 52 3.382 -5.436 5.245 1.00 0.00 C ATOM 737 CG ARG A 52 4.083 -6.781 5.140 1.00 0.00 C ATOM 738 CD ARG A 52 3.134 -7.869 4.663 1.00 0.00 C ATOM 739 NE ARG A 52 2.451 -8.525 5.776 1.00 0.00 N ATOM 740 CZ ARG A 52 1.326 -9.218 5.641 1.00 0.00 C ATOM 741 NH1 ARG A 52 0.761 -9.345 4.449 1.00 0.00 N ATOM 742 NH2 ARG A 52 0.765 -9.787 6.701 1.00 0.00 N ATOM 0 H ARG A 52 4.417 -4.226 7.145 1.00 0.00 H new ATOM 0 HA ARG A 52 5.138 -4.531 4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.906 -5.359 6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.588 -5.391 4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.923 -6.702 4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.493 -7.055 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.395 -7.436 3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.691 -8.611 4.091 1.00 0.00 H new ATOM 0 HE ARG A 52 2.860 -8.446 6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.190 -8.910 3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.103 -9.878 4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.198 -9.692 7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.099 -10.319 6.597 1.00 0.00 H new ATOM 756 N TYR A 53 2.755 -2.389 5.185 1.00 0.00 N ATOM 757 CA TYR A 53 1.973 -1.267 4.680 1.00 0.00 C ATOM 758 C TYR A 53 2.714 0.050 4.885 1.00 0.00 C ATOM 759 O TYR A 53 3.347 0.265 5.919 1.00 0.00 O ATOM 760 CB TYR A 53 0.612 -1.213 5.375 1.00 0.00 C ATOM 761 CG TYR A 53 -0.244 -2.435 5.126 1.00 0.00 C ATOM 762 CD1 TYR A 53 -0.467 -2.900 3.835 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.831 -3.123 6.180 1.00 0.00 C ATOM 764 CE1 TYR A 53 -1.249 -4.015 3.603 1.00 0.00 C ATOM 765 CE2 TYR A 53 -1.613 -4.240 5.957 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.819 -4.682 4.667 1.00 0.00 C ATOM 767 OH TYR A 53 -2.599 -5.793 4.440 1.00 0.00 O ATOM 0 H TYR A 53 2.629 -2.577 6.179 1.00 0.00 H new ATOM 0 HA TYR A 53 1.822 -1.415 3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.766 -1.100 6.448 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.075 -0.328 5.035 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.021 -2.381 2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.673 -2.779 7.192 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.413 -4.362 2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.061 -4.764 6.788 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.924 -6.145 5.295 1.00 0.00 H new ATOM 777 N SER A 54 2.630 0.930 3.893 1.00 0.00 N ATOM 778 CA SER A 54 3.295 2.226 3.962 1.00 0.00 C ATOM 779 C SER A 54 2.357 3.342 3.512 1.00 0.00 C ATOM 780 O SER A 54 2.189 3.583 2.315 1.00 0.00 O ATOM 781 CB SER A 54 4.555 2.223 3.095 1.00 0.00 C ATOM 782 OG SER A 54 5.104 0.921 2.997 1.00 0.00 O ATOM 0 H SER A 54 2.108 0.769 3.032 1.00 0.00 H new ATOM 0 HA SER A 54 3.577 2.408 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.316 2.596 2.099 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.294 2.902 3.520 1.00 0.00 H new ATOM 0 HG SER A 54 5.907 0.946 2.436 1.00 0.00 H new ATOM 788 N LEU A 55 1.748 4.020 4.478 1.00 0.00 N ATOM 789 CA LEU A 55 0.826 5.112 4.183 1.00 0.00 C ATOM 790 C LEU A 55 1.562 6.447 4.133 1.00 0.00 C ATOM 791 O LEU A 55 2.147 6.882 5.125 1.00 0.00 O ATOM 792 CB LEU A 55 -0.283 5.167 5.235 1.00 0.00 C ATOM 793 CG LEU A 55 -0.785 3.818 5.752 1.00 0.00 C ATOM 794 CD1 LEU A 55 -1.867 4.019 6.802 1.00 0.00 C ATOM 795 CD2 LEU A 55 -1.305 2.966 4.604 1.00 0.00 C ATOM 0 H LEU A 55 1.876 3.833 5.473 1.00 0.00 H new ATOM 0 HA LEU A 55 0.382 4.926 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.078 5.748 6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.129 5.710 4.814 1.00 0.00 H new ATOM 0 HG LEU A 55 0.051 3.294 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.213 3.049 7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.462 4.589 7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.703 4.563 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.658 2.010 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.128 3.484 4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.503 2.793 3.887 1.00 0.00 H new ATOM 807 N ARG A 56 1.526 7.094 2.973 1.00 0.00 N ATOM 808 CA ARG A 56 2.188 8.380 2.794 1.00 0.00 C ATOM 809 C ARG A 56 1.195 9.444 2.334 1.00 0.00 C ATOM 810 O ARG A 56 0.451 9.238 1.375 1.00 0.00 O ATOM 811 CB ARG A 56 3.325 8.256 1.778 1.00 0.00 C ATOM 812 CG ARG A 56 4.406 7.271 2.193 1.00 0.00 C ATOM 813 CD ARG A 56 4.109 5.870 1.681 1.00 0.00 C ATOM 814 NE ARG A 56 5.330 5.118 1.404 1.00 0.00 N ATOM 815 CZ ARG A 56 6.198 4.754 2.341 1.00 0.00 C ATOM 816 NH1 ARG A 56 5.981 5.073 3.610 1.00 0.00 N ATOM 817 NH2 ARG A 56 7.286 4.071 2.010 1.00 0.00 N ATOM 0 H ARG A 56 1.045 6.748 2.143 1.00 0.00 H new ATOM 0 HA ARG A 56 2.601 8.684 3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.912 7.946 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.776 9.237 1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.370 7.604 1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.486 7.253 3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.512 5.333 2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.510 5.935 0.773 1.00 0.00 H new ATOM 0 HE ARG A 56 5.527 4.858 0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.146 5.599 3.868 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.649 4.792 4.328 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.457 3.825 1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.952 3.792 2.731 1.00 0.00 H new ATOM 831 N GLN A 57 1.190 10.579 3.024 1.00 0.00 N ATOM 832 CA GLN A 57 0.287 11.674 2.686 1.00 0.00 C ATOM 833 C GLN A 57 1.065 12.958 2.419 1.00 0.00 C ATOM 834 O GLN A 57 2.060 13.243 3.086 1.00 0.00 O ATOM 835 CB GLN A 57 -0.720 11.899 3.815 1.00 0.00 C ATOM 836 CG GLN A 57 -1.706 13.022 3.536 1.00 0.00 C ATOM 837 CD GLN A 57 -2.562 13.360 4.740 1.00 0.00 C ATOM 838 OE1 GLN A 57 -3.866 13.141 4.621 1.00 0.00 O flip ATOM 839 NE2 GLN A 57 -2.057 13.814 5.768 1.00 0.00 N flip ATOM 0 H GLN A 57 1.800 10.765 3.820 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.251 11.401 1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.273 10.976 3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.179 12.122 4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.159 13.911 3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.351 12.736 2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.050 13.967 5.817 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.646 14.037 6.570 1.00 0.00 H new ATOM 848 N ASP A 58 0.606 13.729 1.440 1.00 0.00 N ATOM 849 CA ASP A 58 1.258 14.984 1.085 1.00 0.00 C ATOM 850 C ASP A 58 0.233 16.102 0.919 1.00 0.00 C ATOM 851 O ASP A 58 -0.087 16.503 -0.199 1.00 0.00 O ATOM 852 CB ASP A 58 2.063 14.818 -0.206 1.00 0.00 C ATOM 853 CG ASP A 58 3.226 15.786 -0.291 1.00 0.00 C ATOM 854 OD1 ASP A 58 2.979 17.010 -0.306 1.00 0.00 O ATOM 855 OD2 ASP A 58 4.384 15.320 -0.344 1.00 0.00 O ATOM 0 H ASP A 58 -0.216 13.507 0.878 1.00 0.00 H new ATOM 0 HA ASP A 58 1.936 15.254 1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.439 13.797 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.406 14.968 -1.062 1.00 0.00 H new ATOM 860 N GLY A 59 -0.279 16.599 2.041 1.00 0.00 N ATOM 861 CA GLY A 59 -1.263 17.665 1.998 1.00 0.00 C ATOM 862 C GLY A 59 -2.674 17.143 1.814 1.00 0.00 C ATOM 863 O GLY A 59 -3.377 16.873 2.789 1.00 0.00 O ATOM 0 H GLY A 59 -0.030 16.283 2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.210 18.242 2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.021 18.346 1.182 1.00 0.00 H new ATOM 867 N THR A 60 -3.093 17.003 0.560 1.00 0.00 N ATOM 868 CA THR A 60 -4.431 16.514 0.251 1.00 0.00 C ATOM 869 C THR A 60 -4.377 15.123 -0.370 1.00 0.00 C ATOM 870 O THR A 60 -5.341 14.361 -0.297 1.00 0.00 O ATOM 871 CB THR A 60 -5.169 17.465 -0.709 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.288 17.884 -1.757 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.697 18.682 0.034 1.00 0.00 C ATOM 0 H THR A 60 -2.525 17.222 -0.258 1.00 0.00 H new ATOM 0 HA THR A 60 -4.977 16.467 1.194 1.00 0.00 H new ATOM 0 HB THR A 60 -6.014 16.927 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.765 18.487 -2.364 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.214 19.339 -0.665 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.390 18.361 0.811 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.865 19.220 0.489 1.00 0.00 H new ATOM 881 N LYS A 61 -3.243 14.796 -0.982 1.00 0.00 N ATOM 882 CA LYS A 61 -3.062 13.496 -1.615 1.00 0.00 C ATOM 883 C LYS A 61 -2.581 12.460 -0.604 1.00 0.00 C ATOM 884 O LYS A 61 -1.816 12.778 0.308 1.00 0.00 O ATOM 885 CB LYS A 61 -2.061 13.602 -2.768 1.00 0.00 C ATOM 886 CG LYS A 61 -2.608 14.333 -3.982 1.00 0.00 C ATOM 887 CD LYS A 61 -1.572 14.426 -5.090 1.00 0.00 C ATOM 888 CE LYS A 61 -1.537 13.157 -5.929 1.00 0.00 C ATOM 889 NZ LYS A 61 -2.761 13.012 -6.765 1.00 0.00 N ATOM 0 H LYS A 61 -2.435 15.415 -1.053 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.027 13.174 -2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.167 14.117 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.755 12.599 -3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.492 13.815 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.924 15.335 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.797 15.280 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.588 14.603 -4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.657 13.171 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.440 12.291 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.576 12.342 -7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.542 12.656 -6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.021 13.937 -7.163 1.00 0.00 H new ATOM 903 N CYS A 62 -3.031 11.222 -0.772 1.00 0.00 N ATOM 904 CA CYS A 62 -2.646 10.140 0.127 1.00 0.00 C ATOM 905 C CYS A 62 -1.974 9.007 -0.643 1.00 0.00 C ATOM 906 O CYS A 62 -1.920 9.027 -1.873 1.00 0.00 O ATOM 907 CB CYS A 62 -3.870 9.609 0.874 1.00 0.00 C ATOM 908 SG CYS A 62 -4.758 10.866 1.822 1.00 0.00 S ATOM 0 H CYS A 62 -3.663 10.942 -1.522 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.933 10.537 0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.555 9.160 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.553 8.815 1.551 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.980 10.955 1.387 1.00 0.00 H new ATOM 914 N GLU A 63 -1.463 8.022 0.089 1.00 0.00 N ATOM 915 CA GLU A 63 -0.793 6.883 -0.527 1.00 0.00 C ATOM 916 C GLU A 63 -0.779 5.685 0.418 1.00 0.00 C ATOM 917 O GLU A 63 -0.839 5.841 1.639 1.00 0.00 O ATOM 918 CB GLU A 63 0.639 7.255 -0.918 1.00 0.00 C ATOM 919 CG GLU A 63 1.448 6.084 -1.451 1.00 0.00 C ATOM 920 CD GLU A 63 2.904 6.439 -1.681 1.00 0.00 C ATOM 921 OE1 GLU A 63 3.177 7.587 -2.089 1.00 0.00 O ATOM 922 OE2 GLU A 63 3.770 5.568 -1.453 1.00 0.00 O ATOM 0 H GLU A 63 -1.500 7.990 1.108 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.347 6.610 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.608 8.039 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.148 7.671 -0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.387 5.254 -0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.009 5.740 -2.388 1.00 0.00 H new ATOM 929 N LEU A 64 -0.699 4.488 -0.154 1.00 0.00 N ATOM 930 CA LEU A 64 -0.677 3.262 0.637 1.00 0.00 C ATOM 931 C LEU A 64 -0.040 2.120 -0.148 1.00 0.00 C ATOM 932 O LEU A 64 -0.616 1.622 -1.115 1.00 0.00 O ATOM 933 CB LEU A 64 -2.097 2.878 1.057 1.00 0.00 C ATOM 934 CG LEU A 64 -2.284 1.444 1.556 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.543 0.503 0.390 1.00 0.00 C ATOM 936 CD2 LEU A 64 -1.067 0.993 2.349 1.00 0.00 C ATOM 0 H LEU A 64 -0.648 4.340 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.078 3.444 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.419 3.560 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.761 3.035 0.207 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.152 1.419 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.674 -0.512 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.445 0.815 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.696 0.531 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.217 -0.029 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.183 1.034 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.928 1.651 3.207 1.00 0.00 H new ATOM 948 N GLN A 65 1.151 1.709 0.277 1.00 0.00 N ATOM 949 CA GLN A 65 1.865 0.625 -0.386 1.00 0.00 C ATOM 950 C GLN A 65 1.663 -0.693 0.355 1.00 0.00 C ATOM 951 O GLN A 65 1.464 -0.708 1.570 1.00 0.00 O ATOM 952 CB GLN A 65 3.357 0.949 -0.477 1.00 0.00 C ATOM 953 CG GLN A 65 3.723 1.800 -1.682 1.00 0.00 C ATOM 954 CD GLN A 65 5.180 2.218 -1.681 1.00 0.00 C ATOM 955 OE1 GLN A 65 6.061 1.439 -2.045 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.441 3.454 -1.270 1.00 0.00 N ATOM 0 H GLN A 65 1.641 2.110 1.077 1.00 0.00 H new ATOM 0 HA GLN A 65 1.461 0.520 -1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.663 1.469 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.921 0.017 -0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.510 1.242 -2.594 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.094 2.690 -1.698 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.679 4.066 -0.977 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.403 3.791 -1.247 1.00 0.00 H new ATOM 965 N ILE A 66 1.716 -1.796 -0.383 1.00 0.00 N ATOM 966 CA ILE A 66 1.539 -3.118 0.205 1.00 0.00 C ATOM 967 C ILE A 66 2.698 -4.040 -0.158 1.00 0.00 C ATOM 968 O ILE A 66 2.750 -4.584 -1.261 1.00 0.00 O ATOM 969 CB ILE A 66 0.219 -3.766 -0.253 1.00 0.00 C ATOM 970 CG1 ILE A 66 -0.964 -2.854 0.078 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.043 -5.129 0.400 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.170 -3.084 -0.806 1.00 0.00 C ATOM 0 H ILE A 66 1.880 -1.801 -1.390 1.00 0.00 H new ATOM 0 HA ILE A 66 1.511 -2.982 1.286 1.00 0.00 H new ATOM 0 HB ILE A 66 0.255 -3.905 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.251 -3.008 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.648 -1.815 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.894 -5.574 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.873 -5.777 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.024 -5.014 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.970 -2.403 -0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.899 -2.902 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.511 -4.113 -0.695 1.00 0.00 H new ATOM 984 N ARG A 67 3.625 -4.213 0.778 1.00 0.00 N ATOM 985 CA ARG A 67 4.783 -5.070 0.558 1.00 0.00 C ATOM 986 C ARG A 67 4.446 -6.528 0.858 1.00 0.00 C ATOM 987 O ARG A 67 4.006 -6.860 1.958 1.00 0.00 O ATOM 988 CB ARG A 67 5.954 -4.616 1.431 1.00 0.00 C ATOM 989 CG ARG A 67 6.704 -3.419 0.870 1.00 0.00 C ATOM 990 CD ARG A 67 7.705 -2.868 1.874 1.00 0.00 C ATOM 991 NE ARG A 67 8.266 -1.590 1.443 1.00 0.00 N ATOM 992 CZ ARG A 67 9.227 -1.479 0.533 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.731 -2.564 -0.040 1.00 0.00 N ATOM 994 NH2 ARG A 67 9.685 -0.282 0.193 1.00 0.00 N ATOM 0 H ARG A 67 3.596 -3.771 1.697 1.00 0.00 H new ATOM 0 HA ARG A 67 5.068 -4.990 -0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.580 -4.367 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.650 -5.446 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.225 -3.710 -0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.994 -2.639 0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.217 -2.742 2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.511 -3.588 2.015 1.00 0.00 H new ATOM 0 HE ARG A 67 7.900 -0.736 1.864 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.381 -3.487 0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.469 -2.476 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.299 0.555 0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.423 -0.198 -0.506 1.00 0.00 H new ATOM 1008 N GLY A 68 4.656 -7.394 -0.129 1.00 0.00 N ATOM 1009 CA GLY A 68 4.368 -8.805 0.049 1.00 0.00 C ATOM 1010 C GLY A 68 3.076 -9.223 -0.623 1.00 0.00 C ATOM 1011 O GLY A 68 2.243 -9.900 -0.019 1.00 0.00 O ATOM 0 H GLY A 68 5.020 -7.143 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.191 -9.394 -0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.309 -9.029 1.114 1.00 0.00 H new ATOM 1015 N LEU A 69 2.905 -8.818 -1.877 1.00 0.00 N ATOM 1016 CA LEU A 69 1.703 -9.153 -2.633 1.00 0.00 C ATOM 1017 C LEU A 69 1.624 -10.654 -2.892 1.00 0.00 C ATOM 1018 O LEU A 69 2.640 -11.309 -3.124 1.00 0.00 O ATOM 1019 CB LEU A 69 1.683 -8.393 -3.960 1.00 0.00 C ATOM 1020 CG LEU A 69 1.353 -6.903 -3.875 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.640 -6.216 -5.202 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.100 -6.701 -3.472 1.00 0.00 C ATOM 0 H LEU A 69 3.584 -8.257 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 69 0.837 -8.859 -2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.659 -8.502 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.955 -8.869 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 69 1.987 -6.453 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.399 -5.156 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.695 -6.331 -5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.032 -6.669 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.317 -5.634 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.751 -7.166 -4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.274 -7.158 -2.498 1.00 0.00 H new ATOM 1034 N ALA A 70 0.409 -11.193 -2.851 1.00 0.00 N ATOM 1035 CA ALA A 70 0.197 -12.615 -3.086 1.00 0.00 C ATOM 1036 C ALA A 70 -1.254 -12.899 -3.461 1.00 0.00 C ATOM 1037 O ALA A 70 -2.150 -12.116 -3.147 1.00 0.00 O ATOM 1038 CB ALA A 70 0.593 -13.418 -1.856 1.00 0.00 C ATOM 0 H ALA A 70 -0.442 -10.666 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 70 0.827 -12.918 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.429 -14.479 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.646 -13.247 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.013 -13.104 -1.006 1.00 0.00 H new ATOM 1044 N MET A 71 -1.478 -14.023 -4.133 1.00 0.00 N ATOM 1045 CA MET A 71 -2.821 -14.410 -4.550 1.00 0.00 C ATOM 1046 C MET A 71 -3.844 -14.070 -3.471 1.00 0.00 C ATOM 1047 O MET A 71 -4.952 -13.627 -3.770 1.00 0.00 O ATOM 1048 CB MET A 71 -2.870 -15.906 -4.863 1.00 0.00 C ATOM 1049 CG MET A 71 -2.051 -16.300 -6.082 1.00 0.00 C ATOM 1050 SD MET A 71 -3.004 -16.234 -7.610 1.00 0.00 S ATOM 1051 CE MET A 71 -2.597 -14.590 -8.193 1.00 0.00 C ATOM 0 H MET A 71 -0.747 -14.682 -4.401 1.00 0.00 H new ATOM 0 HA MET A 71 -3.070 -13.850 -5.451 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.509 -16.462 -3.998 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.907 -16.202 -5.021 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.190 -15.637 -6.166 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.663 -17.309 -5.944 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.718 -14.548 -9.275 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.261 -13.863 -7.725 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.564 -14.357 -7.934 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.464 -14.282 -2.215 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.348 -13.996 -1.091 1.00 0.00 C ATOM 1063 C ALA A 72 -4.645 -12.504 -0.991 1.00 0.00 C ATOM 1064 O ALA A 72 -5.794 -12.101 -0.808 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.734 -14.502 0.206 1.00 0.00 C ATOM 0 H ALA A 72 -2.551 -14.651 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.290 -14.516 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.405 -14.282 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.580 -15.579 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.777 -14.008 0.372 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.603 -11.689 -1.113 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.752 -10.240 -1.037 1.00 0.00 C ATOM 1073 C ASP A 73 -4.832 -9.754 -1.998 1.00 0.00 C ATOM 1074 O ASP A 73 -5.550 -8.796 -1.709 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.423 -9.552 -1.353 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.296 -10.032 -0.460 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.268 -11.237 -0.136 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.442 -9.201 -0.083 1.00 0.00 O ATOM 0 H ASP A 73 -2.646 -12.007 -1.265 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.052 -9.983 -0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.161 -9.736 -2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.539 -8.474 -1.239 1.00 0.00 H new ATOM 1083 N THR A 74 -4.942 -10.420 -3.143 1.00 0.00 N ATOM 1084 CA THR A 74 -5.932 -10.055 -4.148 1.00 0.00 C ATOM 1085 C THR A 74 -7.306 -9.852 -3.518 1.00 0.00 C ATOM 1086 O THR A 74 -7.965 -10.812 -3.122 1.00 0.00 O ATOM 1087 CB THR A 74 -6.038 -11.128 -5.249 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.748 -11.371 -5.821 1.00 0.00 O ATOM 1089 CG2 THR A 74 -7.007 -10.692 -6.337 1.00 0.00 C ATOM 0 H THR A 74 -4.357 -11.216 -3.397 1.00 0.00 H new ATOM 0 HA THR A 74 -5.598 -9.119 -4.595 1.00 0.00 H new ATOM 0 HB THR A 74 -6.413 -12.046 -4.797 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.316 -12.115 -5.351 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.066 -11.465 -7.103 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.995 -10.535 -5.903 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.656 -9.763 -6.785 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.732 -8.596 -3.430 1.00 0.00 N ATOM 1098 CA GLY A 75 -9.026 -8.291 -2.848 1.00 0.00 C ATOM 1099 C GLY A 75 -9.523 -6.911 -3.231 1.00 0.00 C ATOM 1100 O GLY A 75 -9.419 -6.506 -4.388 1.00 0.00 O ATOM 0 H GLY A 75 -7.204 -7.784 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.751 -9.038 -3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.958 -8.361 -1.762 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.065 -6.187 -2.256 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.582 -4.846 -2.499 1.00 0.00 C ATOM 1106 C GLU A 76 -10.140 -3.885 -1.399 1.00 0.00 C ATOM 1107 O GLU A 76 -10.297 -4.169 -0.211 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.110 -4.872 -2.585 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.729 -3.507 -2.834 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.038 -3.589 -3.594 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.818 -4.529 -3.334 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -14.282 -2.713 -4.450 1.00 0.00 O ATOM 0 H GLU A 76 -10.157 -6.507 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.178 -4.495 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.409 -5.549 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.511 -5.280 -1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.898 -3.010 -1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.026 -2.890 -3.394 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.586 -2.747 -1.803 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.118 -1.745 -0.853 1.00 0.00 C ATOM 1121 C TYR A 77 -9.953 -0.472 -0.949 1.00 0.00 C ATOM 1122 O TYR A 77 -10.287 -0.016 -2.042 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.644 -1.422 -1.105 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.711 -2.569 -0.789 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.716 -3.726 -1.558 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -5.824 -2.495 0.278 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -5.865 -4.777 -1.273 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -4.969 -3.540 0.570 1.00 0.00 C ATOM 1129 CZ TYR A 77 -4.993 -4.679 -0.208 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.144 -5.722 0.080 1.00 0.00 O ATOM 0 H TYR A 77 -9.450 -2.496 -2.782 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.227 -2.154 0.151 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.516 -1.138 -2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.362 -0.558 -0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.397 -3.805 -2.393 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.803 -1.605 0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.882 -5.670 -1.880 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.285 -3.466 1.403 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.596 -5.492 0.859 1.00 0.00 H new ATOM 1140 N SER A 78 -10.286 0.098 0.205 1.00 0.00 N ATOM 1141 CA SER A 78 -11.084 1.317 0.253 1.00 0.00 C ATOM 1142 C SER A 78 -10.449 2.346 1.183 1.00 0.00 C ATOM 1143 O SER A 78 -10.184 2.063 2.352 1.00 0.00 O ATOM 1144 CB SER A 78 -12.507 1.002 0.719 1.00 0.00 C ATOM 1145 OG SER A 78 -13.029 -0.125 0.037 1.00 0.00 O ATOM 0 H SER A 78 -10.015 -0.265 1.119 1.00 0.00 H new ATOM 0 HA SER A 78 -11.122 1.736 -0.752 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.508 0.814 1.793 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.149 1.865 0.546 1.00 0.00 H new ATOM 0 HG SER A 78 -13.663 -0.594 0.618 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.207 3.541 0.655 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.601 4.613 1.437 1.00 0.00 C ATOM 1153 C CYS A 79 -10.669 5.548 1.996 1.00 0.00 C ATOM 1154 O CYS A 79 -11.203 6.396 1.280 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.614 5.404 0.577 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.289 6.198 1.517 1.00 0.00 S ATOM 0 H CYS A 79 -10.421 3.792 -0.310 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.065 4.162 2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.171 4.733 -0.159 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.161 6.168 0.024 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.170 5.573 1.302 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.976 5.387 3.279 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.981 6.216 3.935 1.00 0.00 C ATOM 1164 C VAL A 80 -11.349 7.457 4.556 1.00 0.00 C ATOM 1165 O VAL A 80 -10.322 7.371 5.231 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.729 5.432 5.029 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -14.051 6.107 5.360 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.951 3.991 4.593 1.00 0.00 C ATOM 0 H VAL A 80 -10.543 4.690 3.885 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.692 6.519 3.166 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.117 5.425 5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.566 5.539 6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.863 7.120 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.673 6.147 4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.481 3.451 5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.543 3.975 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.988 3.514 4.411 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.968 8.609 4.324 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.467 9.868 4.862 1.00 0.00 C ATOM 1180 C CYS A 81 -12.359 10.371 5.992 1.00 0.00 C ATOM 1181 O CYS A 81 -11.947 11.205 6.797 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.382 10.921 3.755 1.00 0.00 C ATOM 1183 SG CYS A 81 -12.943 11.207 2.888 1.00 0.00 S ATOM 0 H CYS A 81 -12.818 8.697 3.767 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.469 9.691 5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -11.042 11.862 4.188 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.628 10.612 3.031 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.986 10.470 1.818 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.585 9.859 6.044 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.517 10.270 7.077 1.00 0.00 C ATOM 1191 C GLY A 82 -15.963 10.132 6.643 1.00 0.00 C ATOM 1192 O GLY A 82 -16.692 9.283 7.154 1.00 0.00 O ATOM 0 H GLY A 82 -13.949 9.167 5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.351 9.670 7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.320 11.307 7.348 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.377 10.969 5.697 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.746 10.938 5.196 1.00 0.00 C ATOM 1198 C GLN A 83 -17.846 10.083 3.938 1.00 0.00 C ATOM 1199 O GLN A 83 -18.794 9.317 3.770 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.237 12.357 4.904 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.261 13.257 6.128 1.00 0.00 C ATOM 1202 CD GLN A 83 -19.293 14.362 6.020 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -19.420 15.009 4.980 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -20.038 14.585 7.096 1.00 0.00 N ATOM 0 H GLN A 83 -15.784 11.676 5.262 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.378 10.494 5.965 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.595 12.806 4.146 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.241 12.305 4.482 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -18.470 12.655 7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.275 13.699 6.269 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.899 14.025 7.937 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.749 15.316 7.081 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.860 10.219 3.056 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.838 9.459 1.812 1.00 0.00 C ATOM 1215 C GLU A 84 -15.576 8.607 1.716 1.00 0.00 C ATOM 1216 O GLU A 84 -14.641 8.774 2.500 1.00 0.00 O ATOM 1217 CB GLU A 84 -16.922 10.403 0.610 1.00 0.00 C ATOM 1218 CG GLU A 84 -18.134 11.319 0.639 1.00 0.00 C ATOM 1219 CD GLU A 84 -19.419 10.598 0.284 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -19.596 9.446 0.733 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -20.248 11.185 -0.442 1.00 0.00 O ATOM 0 H GLU A 84 -16.067 10.848 3.180 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.704 8.797 1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.018 11.011 0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.946 9.811 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.230 11.757 1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.979 12.142 -0.058 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.557 7.694 0.751 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.411 6.814 0.554 1.00 0.00 C ATOM 1230 C ARG A 85 -14.374 6.282 -0.876 1.00 0.00 C ATOM 1231 O ARG A 85 -15.365 6.355 -1.604 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.461 5.648 1.542 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.222 4.440 1.021 1.00 0.00 C ATOM 1234 CD ARG A 85 -15.846 3.642 2.156 1.00 0.00 C ATOM 1235 NE ARG A 85 -16.996 2.862 1.709 1.00 0.00 N ATOM 1236 CZ ARG A 85 -16.896 1.662 1.148 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -15.706 1.108 0.967 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -17.990 1.013 0.767 1.00 0.00 N ATOM 0 H ARG A 85 -16.322 7.544 0.093 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.505 7.393 0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.443 5.347 1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.925 5.987 2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.002 4.769 0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.546 3.800 0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -15.098 2.973 2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.156 4.322 2.950 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.927 3.260 1.834 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.863 1.603 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.633 0.186 0.536 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.908 1.436 0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -17.912 0.092 0.336 1.00 0.00 H new ATOM 1252 N THR A 86 -13.224 5.747 -1.273 1.00 0.00 N ATOM 1253 CA THR A 86 -13.057 5.205 -2.616 1.00 0.00 C ATOM 1254 C THR A 86 -12.800 3.703 -2.574 1.00 0.00 C ATOM 1255 O THR A 86 -12.833 3.087 -1.508 1.00 0.00 O ATOM 1256 CB THR A 86 -11.895 5.892 -3.359 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.891 5.495 -4.734 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.560 5.540 -2.719 1.00 0.00 C ATOM 0 H THR A 86 -12.394 5.677 -0.684 1.00 0.00 H new ATOM 0 HA THR A 86 -13.986 5.398 -3.152 1.00 0.00 H new ATOM 0 HB THR A 86 -12.037 6.971 -3.293 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.006 5.662 -5.120 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.755 6.036 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.556 5.870 -1.680 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.411 4.461 -2.757 1.00 0.00 H new ATOM 1266 N SER A 87 -12.543 3.118 -3.739 1.00 0.00 N ATOM 1267 CA SER A 87 -12.284 1.686 -3.836 1.00 0.00 C ATOM 1268 C SER A 87 -11.540 1.354 -5.126 1.00 0.00 C ATOM 1269 O SER A 87 -11.736 2.004 -6.152 1.00 0.00 O ATOM 1270 CB SER A 87 -13.596 0.903 -3.775 1.00 0.00 C ATOM 1271 OG SER A 87 -14.640 1.606 -4.425 1.00 0.00 O ATOM 0 H SER A 87 -12.508 3.614 -4.630 1.00 0.00 H new ATOM 0 HA SER A 87 -11.658 1.398 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.463 -0.072 -4.244 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.867 0.723 -2.735 1.00 0.00 H new ATOM 0 HG SER A 87 -15.468 1.084 -4.374 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.686 0.338 -5.064 1.00 0.00 N ATOM 1278 CA ALA A 88 -9.913 -0.082 -6.227 1.00 0.00 C ATOM 1279 C ALA A 88 -9.551 -1.561 -6.140 1.00 0.00 C ATOM 1280 O ALA A 88 -8.731 -1.961 -5.314 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.656 0.764 -6.360 1.00 0.00 C ATOM 0 H ALA A 88 -10.512 -0.210 -4.221 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.530 0.063 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.089 0.439 -7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.933 1.812 -6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.043 0.649 -5.466 1.00 0.00 H new ATOM 1287 N MET A 89 -10.168 -2.368 -6.997 1.00 0.00 N ATOM 1288 CA MET A 89 -9.910 -3.803 -7.017 1.00 0.00 C ATOM 1289 C MET A 89 -8.446 -4.087 -7.337 1.00 0.00 C ATOM 1290 O MET A 89 -7.972 -3.795 -8.436 1.00 0.00 O ATOM 1291 CB MET A 89 -10.811 -4.491 -8.043 1.00 0.00 C ATOM 1292 CG MET A 89 -12.206 -4.795 -7.520 1.00 0.00 C ATOM 1293 SD MET A 89 -12.184 -5.827 -6.042 1.00 0.00 S ATOM 1294 CE MET A 89 -11.467 -7.334 -6.692 1.00 0.00 C ATOM 0 H MET A 89 -10.850 -2.053 -7.687 1.00 0.00 H new ATOM 0 HA MET A 89 -10.131 -4.200 -6.026 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.893 -3.857 -8.926 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.341 -5.421 -8.362 1.00 0.00 H new ATOM 0 HG2 MET A 89 -12.718 -3.859 -7.297 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.781 -5.295 -8.299 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.629 -8.148 -5.985 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.938 -7.580 -7.643 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.397 -7.192 -6.843 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.733 -4.657 -6.371 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.322 -4.980 -6.551 1.00 0.00 C ATOM 1306 C LEU A 90 -6.151 -6.411 -7.050 1.00 0.00 C ATOM 1307 O LEU A 90 -6.475 -7.369 -6.348 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.565 -4.793 -5.235 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.238 -5.544 -5.111 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.332 -5.224 -6.290 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.550 -5.199 -3.799 1.00 0.00 C ATOM 0 H LEU A 90 -8.109 -4.905 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.911 -4.302 -7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.371 -3.729 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.215 -5.106 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.446 -6.614 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.393 -5.767 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.822 -5.522 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.131 -4.153 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.608 -5.742 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.354 -4.127 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.194 -5.480 -2.966 1.00 0.00 H new ATOM 1323 N THR A 91 -5.637 -6.549 -8.269 1.00 0.00 N ATOM 1324 CA THR A 91 -5.421 -7.862 -8.863 1.00 0.00 C ATOM 1325 C THR A 91 -3.945 -8.243 -8.833 1.00 0.00 C ATOM 1326 O THR A 91 -3.089 -7.485 -9.289 1.00 0.00 O ATOM 1327 CB THR A 91 -5.923 -7.910 -10.318 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.342 -7.719 -10.353 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.568 -9.238 -10.970 1.00 0.00 C ATOM 0 H THR A 91 -5.363 -5.767 -8.864 1.00 0.00 H new ATOM 0 HA THR A 91 -5.990 -8.576 -8.267 1.00 0.00 H new ATOM 0 HB THR A 91 -5.435 -7.109 -10.874 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.653 -7.749 -11.282 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.933 -9.248 -11.997 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.486 -9.366 -10.968 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.031 -10.052 -10.412 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.653 -9.423 -8.295 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.280 -9.905 -8.208 1.00 0.00 C ATOM 1339 C VAL A 92 -2.016 -10.999 -9.236 1.00 0.00 C ATOM 1340 O VAL A 92 -2.431 -12.145 -9.060 1.00 0.00 O ATOM 1341 CB VAL A 92 -1.964 -10.450 -6.802 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.541 -10.983 -6.743 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.183 -9.372 -5.752 1.00 0.00 C ATOM 0 H VAL A 92 -4.349 -10.063 -7.913 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.632 -9.053 -8.413 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.644 -11.275 -6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.336 -11.364 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.424 -11.788 -7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.158 -10.180 -6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.955 -9.774 -4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.529 -8.525 -5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.222 -9.043 -5.779 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.322 -10.639 -10.311 1.00 0.00 N ATOM 1354 CA ARG A 93 -1.002 -11.590 -11.369 1.00 0.00 C ATOM 1355 C ARG A 93 0.084 -12.561 -10.916 1.00 0.00 C ATOM 1356 O ARG A 93 1.256 -12.198 -10.825 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.548 -10.850 -12.628 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.576 -9.866 -13.162 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.664 -10.573 -13.955 1.00 0.00 C ATOM 1360 NE ARG A 93 -2.324 -10.687 -15.370 1.00 0.00 N ATOM 1361 CZ ARG A 93 -2.854 -11.595 -16.183 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -3.745 -12.462 -15.723 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -2.493 -11.635 -17.459 1.00 0.00 N ATOM 0 H ARG A 93 -0.970 -9.695 -10.472 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.903 -12.160 -11.596 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.376 -10.314 -12.411 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.318 -11.579 -13.405 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.025 -9.321 -12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.082 -9.130 -13.796 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.826 -11.568 -13.540 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.602 -10.027 -13.850 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.642 -10.034 -15.756 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.026 -12.433 -14.743 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.150 -13.158 -16.349 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.808 -10.969 -17.816 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.900 -12.332 -18.083 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.315 -13.797 -10.635 1.00 0.00 N ATOM 1378 CA ALA A 94 0.624 -14.821 -10.194 1.00 0.00 C ATOM 1379 C ALA A 94 1.907 -14.780 -11.017 1.00 0.00 C ATOM 1380 O ALA A 94 1.874 -14.552 -12.227 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.018 -16.198 -10.281 1.00 0.00 C ATOM 0 H ALA A 94 -1.282 -14.113 -10.705 1.00 0.00 H new ATOM 0 HA ALA A 94 0.884 -14.618 -9.155 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.694 -16.953 -9.949 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.902 -16.228 -9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.307 -16.400 -11.312 1.00 0.00 H new ATOM 1387 N LEU A 95 3.036 -15.002 -10.353 1.00 0.00 N ATOM 1388 CA LEU A 95 4.332 -14.990 -11.023 1.00 0.00 C ATOM 1389 C LEU A 95 4.440 -16.139 -12.021 1.00 0.00 C ATOM 1390 O LEU A 95 3.763 -17.161 -11.905 1.00 0.00 O ATOM 1391 CB LEU A 95 5.461 -15.085 -9.995 1.00 0.00 C ATOM 1392 CG LEU A 95 5.739 -13.818 -9.186 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.272 -14.173 -7.806 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.720 -12.918 -9.923 1.00 0.00 C ATOM 0 H LEU A 95 3.080 -15.192 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 95 4.423 -14.050 -11.568 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.226 -15.892 -9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.376 -15.368 -10.515 1.00 0.00 H new ATOM 0 HG LEU A 95 4.802 -13.275 -9.063 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.464 -13.259 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.536 -14.777 -7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.199 -14.738 -7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.906 -12.021 -9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.658 -13.452 -10.077 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.300 -12.636 -10.888 1.00 0.00 H new ATOM 1406 N PRO A 96 5.312 -15.970 -13.026 1.00 0.00 N ATOM 1407 CA PRO A 96 5.532 -16.983 -14.063 1.00 0.00 C ATOM 1408 C PRO A 96 6.242 -18.220 -13.523 1.00 0.00 C ATOM 1409 O PRO A 96 7.461 -18.221 -13.351 1.00 0.00 O ATOM 1410 CB PRO A 96 6.415 -16.261 -15.083 1.00 0.00 C ATOM 1411 CG PRO A 96 7.117 -15.207 -14.298 1.00 0.00 C ATOM 1412 CD PRO A 96 6.152 -14.777 -13.228 1.00 0.00 C ATOM 0 HA PRO A 96 4.594 -17.352 -14.478 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.124 -16.946 -15.548 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.819 -15.826 -15.885 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.038 -15.594 -13.861 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.395 -14.366 -14.934 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.669 -14.490 -12.312 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.560 -13.917 -13.543 1.00 0.00 H new ATOM 1420 N ILE A 97 5.473 -19.270 -13.259 1.00 0.00 N ATOM 1421 CA ILE A 97 6.030 -20.514 -12.740 1.00 0.00 C ATOM 1422 C ILE A 97 7.219 -20.974 -13.577 1.00 0.00 C ATOM 1423 O ILE A 97 8.206 -21.483 -13.045 1.00 0.00 O ATOM 1424 CB ILE A 97 4.974 -21.634 -12.710 1.00 0.00 C ATOM 1425 CG1 ILE A 97 3.788 -21.224 -11.834 1.00 0.00 C ATOM 1426 CG2 ILE A 97 5.590 -22.929 -12.203 1.00 0.00 C ATOM 1427 CD1 ILE A 97 2.478 -21.848 -12.260 1.00 0.00 C ATOM 0 H ILE A 97 4.462 -19.285 -13.396 1.00 0.00 H new ATOM 0 HA ILE A 97 6.362 -20.311 -11.722 1.00 0.00 H new ATOM 0 HB ILE A 97 4.612 -21.799 -13.725 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.996 -21.504 -10.801 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.688 -20.139 -11.856 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.831 -23.711 -12.188 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.405 -23.227 -12.863 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.976 -22.778 -11.195 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.682 -21.513 -11.595 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.247 -21.547 -13.282 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.559 -22.934 -12.211 1.00 0.00 H new ATOM 1439 N LYS A 98 7.119 -20.790 -14.889 1.00 0.00 N ATOM 1440 CA LYS A 98 8.187 -21.183 -15.800 1.00 0.00 C ATOM 1441 C LYS A 98 8.663 -19.992 -16.626 1.00 0.00 C ATOM 1442 O LYS A 98 8.076 -18.911 -16.571 1.00 0.00 O ATOM 1443 CB LYS A 98 7.708 -22.301 -16.728 1.00 0.00 C ATOM 1444 CG LYS A 98 6.532 -21.904 -17.603 1.00 0.00 C ATOM 1445 CD LYS A 98 5.206 -22.186 -16.917 1.00 0.00 C ATOM 1446 CE LYS A 98 4.792 -23.641 -17.080 1.00 0.00 C ATOM 1447 NZ LYS A 98 3.442 -23.901 -16.508 1.00 0.00 N ATOM 0 H LYS A 98 6.309 -20.371 -15.345 1.00 0.00 H new ATOM 0 HA LYS A 98 9.024 -21.547 -15.204 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.536 -22.612 -17.366 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.427 -23.165 -16.126 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.599 -20.843 -17.845 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.578 -22.449 -18.546 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.285 -21.946 -15.857 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.435 -21.538 -17.334 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.795 -23.903 -18.138 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.524 -24.284 -16.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.197 -24.903 -16.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.446 -23.675 -15.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.739 -23.306 -16.992 1.00 0.00 H new ATOM 1461 N PHE A 99 9.730 -20.197 -17.391 1.00 0.00 N ATOM 1462 CA PHE A 99 10.284 -19.140 -18.229 1.00 0.00 C ATOM 1463 C PHE A 99 10.299 -19.560 -19.696 1.00 0.00 C ATOM 1464 O PHE A 99 10.930 -20.551 -20.065 1.00 0.00 O ATOM 1465 CB PHE A 99 11.702 -18.790 -17.774 1.00 0.00 C ATOM 1466 CG PHE A 99 12.230 -17.520 -18.378 1.00 0.00 C ATOM 1467 CD1 PHE A 99 12.409 -17.412 -19.748 1.00 0.00 C ATOM 1468 CD2 PHE A 99 12.546 -16.434 -17.577 1.00 0.00 C ATOM 1469 CE1 PHE A 99 12.895 -16.245 -20.307 1.00 0.00 C ATOM 1470 CE2 PHE A 99 13.032 -15.265 -18.130 1.00 0.00 C ATOM 1471 CZ PHE A 99 13.206 -15.169 -19.497 1.00 0.00 C ATOM 0 H PHE A 99 10.228 -21.085 -17.448 1.00 0.00 H new ATOM 0 HA PHE A 99 9.649 -18.260 -18.127 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.714 -18.699 -16.688 1.00 0.00 H new ATOM 0 HB3 PHE A 99 12.371 -19.611 -18.032 1.00 0.00 H new ATOM 0 HD1 PHE A 99 12.166 -18.249 -20.386 1.00 0.00 H new ATOM 0 HD2 PHE A 99 12.411 -16.502 -16.508 1.00 0.00 H new ATOM 0 HE1 PHE A 99 13.032 -16.174 -21.376 1.00 0.00 H new ATOM 0 HE2 PHE A 99 13.276 -14.427 -17.494 1.00 0.00 H new ATOM 0 HZ PHE A 99 13.584 -14.256 -19.932 1.00 0.00 H new ATOM 1481 N THR A 100 9.597 -18.799 -20.531 1.00 0.00 N ATOM 1482 CA THR A 100 9.527 -19.092 -21.957 1.00 0.00 C ATOM 1483 C THR A 100 9.180 -17.842 -22.758 1.00 0.00 C ATOM 1484 O THR A 100 8.135 -17.229 -22.545 1.00 0.00 O ATOM 1485 CB THR A 100 8.485 -20.186 -22.255 1.00 0.00 C ATOM 1486 OG1 THR A 100 7.204 -19.794 -21.747 1.00 0.00 O ATOM 1487 CG2 THR A 100 8.898 -21.511 -21.634 1.00 0.00 C ATOM 0 H THR A 100 9.069 -17.975 -20.244 1.00 0.00 H new ATOM 0 HA THR A 100 10.512 -19.449 -22.256 1.00 0.00 H new ATOM 0 HB THR A 100 8.424 -20.313 -23.336 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.036 -18.855 -21.972 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.146 -22.268 -21.858 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.859 -21.821 -22.044 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.985 -21.395 -20.554 1.00 0.00 H new ATOM 1495 N GLU A 101 10.062 -17.472 -23.681 1.00 0.00 N ATOM 1496 CA GLU A 101 9.847 -16.295 -24.514 1.00 0.00 C ATOM 1497 C GLU A 101 10.526 -16.457 -25.870 1.00 0.00 C ATOM 1498 O GLU A 101 11.721 -16.743 -25.948 1.00 0.00 O ATOM 1499 CB GLU A 101 10.377 -15.042 -23.812 1.00 0.00 C ATOM 1500 CG GLU A 101 11.893 -14.958 -23.779 1.00 0.00 C ATOM 1501 CD GLU A 101 12.405 -14.085 -22.651 1.00 0.00 C ATOM 1502 OE1 GLU A 101 11.801 -14.112 -21.558 1.00 0.00 O ATOM 1503 OE2 GLU A 101 13.410 -13.374 -22.861 1.00 0.00 O ATOM 0 H GLU A 101 10.932 -17.970 -23.871 1.00 0.00 H new ATOM 0 HA GLU A 101 8.774 -16.186 -24.675 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.984 -14.159 -24.316 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.998 -15.021 -22.790 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.306 -15.961 -23.673 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.252 -14.564 -24.730 1.00 0.00 H new ATOM 1510 N SER A 102 9.756 -16.272 -26.937 1.00 0.00 N ATOM 1511 CA SER A 102 10.281 -16.402 -28.292 1.00 0.00 C ATOM 1512 C SER A 102 9.910 -15.187 -29.137 1.00 0.00 C ATOM 1513 O SER A 102 8.736 -14.846 -29.273 1.00 0.00 O ATOM 1514 CB SER A 102 9.747 -17.676 -28.948 1.00 0.00 C ATOM 1515 OG SER A 102 8.410 -17.503 -29.385 1.00 0.00 O ATOM 0 H SER A 102 8.766 -16.031 -26.890 1.00 0.00 H new ATOM 0 HA SER A 102 11.368 -16.462 -28.230 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.378 -17.944 -29.795 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.797 -18.502 -28.239 1.00 0.00 H new ATOM 0 HG SER A 102 8.145 -16.567 -29.266 1.00 0.00 H new ATOM 1521 N GLY A 103 10.922 -14.536 -29.703 1.00 0.00 N ATOM 1522 CA GLY A 103 10.683 -13.367 -30.528 1.00 0.00 C ATOM 1523 C GLY A 103 9.819 -13.674 -31.735 1.00 0.00 C ATOM 1524 O GLY A 103 8.695 -14.161 -31.612 1.00 0.00 O ATOM 0 H GLY A 103 11.903 -14.798 -29.605 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.201 -12.595 -29.928 1.00 0.00 H new ATOM 0 HA3 GLY A 103 11.638 -12.961 -30.863 1.00 0.00 H new ATOM 1528 N PRO A 104 10.346 -13.386 -32.934 1.00 0.00 N ATOM 1529 CA PRO A 104 9.632 -13.626 -34.191 1.00 0.00 C ATOM 1530 C PRO A 104 9.489 -15.112 -34.502 1.00 0.00 C ATOM 1531 O PRO A 104 9.910 -15.963 -33.719 1.00 0.00 O ATOM 1532 CB PRO A 104 10.516 -12.943 -35.238 1.00 0.00 C ATOM 1533 CG PRO A 104 11.880 -12.943 -34.639 1.00 0.00 C ATOM 1534 CD PRO A 104 11.681 -12.804 -33.155 1.00 0.00 C ATOM 0 HA PRO A 104 8.612 -13.243 -34.159 1.00 0.00 H new ATOM 0 HB2 PRO A 104 10.499 -13.484 -36.184 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.174 -11.929 -35.444 1.00 0.00 H new ATOM 0 HG2 PRO A 104 12.411 -13.865 -34.877 1.00 0.00 H new ATOM 0 HG3 PRO A 104 12.478 -12.121 -35.031 1.00 0.00 H new ATOM 0 HD2 PRO A 104 12.449 -13.337 -32.595 1.00 0.00 H new ATOM 0 HD3 PRO A 104 11.722 -11.761 -32.840 1.00 0.00 H new ATOM 1542 N SER A 105 8.893 -15.417 -35.651 1.00 0.00 N ATOM 1543 CA SER A 105 8.692 -16.801 -36.064 1.00 0.00 C ATOM 1544 C SER A 105 9.517 -17.123 -37.306 1.00 0.00 C ATOM 1545 O SER A 105 9.369 -16.482 -38.346 1.00 0.00 O ATOM 1546 CB SER A 105 7.210 -17.063 -36.340 1.00 0.00 C ATOM 1547 OG SER A 105 6.804 -16.460 -37.557 1.00 0.00 O ATOM 0 H SER A 105 8.541 -14.724 -36.312 1.00 0.00 H new ATOM 0 HA SER A 105 9.023 -17.448 -35.252 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.029 -18.137 -36.385 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.609 -16.672 -35.519 1.00 0.00 H new ATOM 0 HG SER A 105 7.594 -16.244 -38.095 1.00 0.00 H new ATOM 1553 N SER A 106 10.387 -18.121 -37.188 1.00 0.00 N ATOM 1554 CA SER A 106 11.240 -18.526 -38.300 1.00 0.00 C ATOM 1555 C SER A 106 10.468 -18.496 -39.615 1.00 0.00 C ATOM 1556 O SER A 106 9.441 -19.158 -39.761 1.00 0.00 O ATOM 1557 CB SER A 106 11.799 -19.929 -38.055 1.00 0.00 C ATOM 1558 OG SER A 106 12.842 -19.902 -37.096 1.00 0.00 O ATOM 0 H SER A 106 10.520 -18.664 -36.335 1.00 0.00 H new ATOM 0 HA SER A 106 12.067 -17.819 -38.369 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.001 -20.587 -37.711 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.172 -20.344 -38.991 1.00 0.00 H new ATOM 0 HG SER A 106 13.181 -20.811 -36.956 1.00 0.00 H new ATOM 1564 N GLY A 107 10.972 -17.723 -40.572 1.00 0.00 N ATOM 1565 CA GLY A 107 10.318 -17.620 -41.864 1.00 0.00 C ATOM 1566 C GLY A 107 9.773 -16.230 -42.129 1.00 0.00 C ATOM 1567 O GLY A 107 8.577 -16.059 -42.361 1.00 0.00 O ATOM 0 H GLY A 107 11.821 -17.166 -40.476 1.00 0.00 H new ATOM 0 HA2 GLY A 107 11.027 -17.885 -42.649 1.00 0.00 H new ATOM 0 HA3 GLY A 107 9.503 -18.342 -41.914 1.00 0.00 H new TER 1571 GLY A 107