USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 849 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 11 THR OG1 : rot 12:sc= 0.443 USER MOD Set 1.2: A 110 HIS : no HE2:sc= 1.03 K(o=1.5,f=-5.6!) USER MOD Set 2.1: A 15 LYS NZ :NH3+ -179:sc= 0.0198 (180deg=0) USER MOD Set 2.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 102 GLN : amide:sc= -1.26! C(o=-1.2!,f=-3.2!) USER MOD Set 3.1: A 44 TYR OH : rot 64:sc= 1.06 USER MOD Set 3.2: A 100 GLN : amide:sc= 0.742 K(o=1.8,f=-1.6) USER MOD Set 4.1: A 83 SER OG : rot -93:sc= 0.94 USER MOD Set 4.2: A 85 ASN : amide:sc= 0 K(o=0.94,f=0.34) USER MOD Set 5.1: A 33 MET CE :methyl -178:sc= -1.3 (180deg=-1.31) USER MOD Set 5.2: A 37 THR OG1 : rot 81:sc= 0.252 USER MOD Set 6.1: A 28 SER OG : rot -0:sc= 1.26 USER MOD Set 6.2: A 67 ASN : amide:sc= -4.87! C(o=-3.6!,f=-6.2!) USER MOD Single : A 3 ASN : amide:sc= -0.306 K(o=-0.31,f=-2.1!) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= -0.0305 (180deg=-0.207) USER MOD Single : A 7 LYS NZ :NH3+ -142:sc= -1.23 (180deg=-3.6!) USER MOD Single : A 8 SER OG : rot -8:sc= 0.176 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 153:sc= -0.132 (180deg=-0.604) USER MOD Single : A 24 ASN : amide:sc= -0.597 K(o=-0.6,f=-1.3) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : +bothHN:sc= 1.16 K(o=1.2,f=-8.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00885 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -157:sc= 0.245 (180deg=-0.768!) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 1.07 (180deg=1.07) USER MOD Single : A 46 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.7!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.2! X(o=-1.2!,f=-0.83) USER MOD Single : A 71 THR OG1 : rot 167:sc= 1.25 USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0762) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0.798 (180deg=0.633) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= -0.0201 (180deg=-0.112) USER MOD Single : A 91 ASN : amide:sc= 0.154 X(o=0.15,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.00535 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 142:sc= -0.897 (180deg=-3.63!) USER MOD Single : A 104 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00679) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 28.646 17.081 7.983 1.00 0.00 N ATOM 2 CA VAL A 2 28.639 16.186 9.132 1.00 0.00 C ATOM 3 C VAL A 2 29.511 14.957 8.887 1.00 0.00 C ATOM 4 O VAL A 2 30.345 14.609 9.728 1.00 0.00 O ATOM 5 CB VAL A 2 27.206 15.761 9.538 1.00 0.00 C ATOM 6 CG1 VAL A 2 26.442 16.952 10.096 1.00 0.00 C ATOM 7 CG2 VAL A 2 26.452 15.152 8.365 1.00 0.00 C ATOM 0 HA VAL A 2 29.062 16.749 9.964 1.00 0.00 H new ATOM 0 HB VAL A 2 27.290 14.998 10.312 1.00 0.00 H new ATOM 0 HG11 VAL A 2 25.436 16.640 10.378 1.00 0.00 H new ATOM 0 HG12 VAL A 2 26.961 17.339 10.973 1.00 0.00 H new ATOM 0 HG13 VAL A 2 26.381 17.733 9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 2 25.450 14.865 8.686 1.00 0.00 H new ATOM 0 HG22 VAL A 2 26.380 15.883 7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 2 26.985 14.271 8.008 1.00 0.00 H new ATOM 17 N ASN A 3 29.332 14.319 7.739 1.00 0.00 N ATOM 18 CA ASN A 3 30.110 13.139 7.379 1.00 0.00 C ATOM 19 C ASN A 3 29.921 12.801 5.905 1.00 0.00 C ATOM 20 O ASN A 3 29.021 13.326 5.251 1.00 0.00 O ATOM 21 CB ASN A 3 29.752 11.926 8.260 1.00 0.00 C ATOM 22 CG ASN A 3 28.278 11.552 8.249 1.00 0.00 C ATOM 23 OD1 ASN A 3 27.563 11.773 7.273 1.00 0.00 O ATOM 24 ND2 ASN A 3 27.821 10.968 9.347 1.00 0.00 N ATOM 0 H ASN A 3 28.650 14.601 7.035 1.00 0.00 H new ATOM 0 HA ASN A 3 31.160 13.375 7.555 1.00 0.00 H new ATOM 0 HB2 ASN A 3 30.334 11.067 7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 3 30.053 12.137 9.286 1.00 0.00 H new ATOM 0 HD21 ASN A 3 26.843 10.684 9.404 1.00 0.00 H new ATOM 0 HD22 ASN A 3 28.447 10.803 10.135 1.00 0.00 H new ATOM 31 N PHE A 4 30.773 11.924 5.396 1.00 0.00 N ATOM 32 CA PHE A 4 30.759 11.559 3.983 1.00 0.00 C ATOM 33 C PHE A 4 30.026 10.240 3.762 1.00 0.00 C ATOM 34 O PHE A 4 30.282 9.544 2.776 1.00 0.00 O ATOM 35 CB PHE A 4 32.197 11.425 3.460 1.00 0.00 C ATOM 36 CG PHE A 4 32.994 12.698 3.498 1.00 0.00 C ATOM 37 CD1 PHE A 4 33.618 13.107 4.666 1.00 0.00 C ATOM 38 CD2 PHE A 4 33.120 13.483 2.365 1.00 0.00 C ATOM 39 CE1 PHE A 4 34.353 14.275 4.702 1.00 0.00 C ATOM 40 CE2 PHE A 4 33.855 14.652 2.395 1.00 0.00 C ATOM 41 CZ PHE A 4 34.472 15.050 3.566 1.00 0.00 C ATOM 0 H PHE A 4 31.489 11.447 5.944 1.00 0.00 H new ATOM 0 HA PHE A 4 30.237 12.347 3.441 1.00 0.00 H new ATOM 0 HB2 PHE A 4 32.716 10.669 4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 4 32.164 11.062 2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 4 33.528 12.505 5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 4 32.638 13.178 1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 4 34.835 14.582 5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 4 33.948 15.255 1.504 1.00 0.00 H new ATOM 0 HZ PHE A 4 35.046 15.965 3.592 1.00 0.00 H new ATOM 51 N LYS A 5 29.112 9.896 4.660 1.00 0.00 N ATOM 52 CA LYS A 5 28.444 8.607 4.583 1.00 0.00 C ATOM 53 C LYS A 5 26.936 8.771 4.448 1.00 0.00 C ATOM 54 O LYS A 5 26.341 9.681 5.028 1.00 0.00 O ATOM 55 CB LYS A 5 28.765 7.767 5.821 1.00 0.00 C ATOM 56 CG LYS A 5 28.539 6.277 5.617 1.00 0.00 C ATOM 57 CD LYS A 5 29.509 5.715 4.590 1.00 0.00 C ATOM 58 CE LYS A 5 29.226 4.254 4.275 1.00 0.00 C ATOM 59 NZ LYS A 5 27.890 4.063 3.647 1.00 0.00 N ATOM 0 H LYS A 5 28.820 10.484 5.440 1.00 0.00 H new ATOM 0 HA LYS A 5 28.813 8.095 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 5 29.804 7.934 6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 5 28.149 8.110 6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 5 28.664 5.753 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 5 27.514 6.102 5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 5 29.446 6.302 3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 5 30.529 5.814 4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 5 29.998 3.872 3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 5 29.281 3.669 5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 27.826 3.103 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 27.148 4.192 4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 27.761 4.760 2.886 1.00 0.00 H new ATOM 73 N ASP A 6 26.338 7.891 3.662 1.00 0.00 N ATOM 74 CA ASP A 6 24.891 7.843 3.485 1.00 0.00 C ATOM 75 C ASP A 6 24.412 6.404 3.604 1.00 0.00 C ATOM 76 O ASP A 6 25.066 5.486 3.104 1.00 0.00 O ATOM 77 CB ASP A 6 24.500 8.412 2.117 1.00 0.00 C ATOM 78 CG ASP A 6 23.032 8.209 1.789 1.00 0.00 C ATOM 79 OD1 ASP A 6 22.196 9.013 2.256 1.00 0.00 O ATOM 80 OD2 ASP A 6 22.710 7.253 1.048 1.00 0.00 O ATOM 0 H ASP A 6 26.842 7.185 3.125 1.00 0.00 H new ATOM 0 HA ASP A 6 24.420 8.448 4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 6 24.728 9.478 2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 6 25.108 7.939 1.346 1.00 0.00 H new ATOM 85 N LYS A 7 23.286 6.198 4.270 1.00 0.00 N ATOM 86 CA LYS A 7 22.749 4.856 4.436 1.00 0.00 C ATOM 87 C LYS A 7 21.537 4.631 3.536 1.00 0.00 C ATOM 88 O LYS A 7 20.405 4.959 3.887 1.00 0.00 O ATOM 89 CB LYS A 7 22.394 4.571 5.904 1.00 0.00 C ATOM 90 CG LYS A 7 21.497 5.616 6.555 1.00 0.00 C ATOM 91 CD LYS A 7 20.860 5.111 7.849 1.00 0.00 C ATOM 92 CE LYS A 7 21.859 4.980 8.995 1.00 0.00 C ATOM 93 NZ LYS A 7 22.840 3.879 8.789 1.00 0.00 N ATOM 0 H LYS A 7 22.730 6.936 4.701 1.00 0.00 H new ATOM 0 HA LYS A 7 23.529 4.155 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 7 21.901 3.601 5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 7 23.317 4.495 6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 7 22.081 6.512 6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 7 20.713 5.904 5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.063 5.793 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 7 20.397 4.141 7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 7 22.397 5.921 9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.317 4.807 9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 23.030 3.409 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 22.450 3.188 8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 23.726 4.270 8.409 1.00 0.00 H new ATOM 107 N SER A 8 21.786 4.088 2.357 1.00 0.00 N ATOM 108 CA SER A 8 20.709 3.709 1.463 1.00 0.00 C ATOM 109 C SER A 8 20.095 2.399 1.941 1.00 0.00 C ATOM 110 O SER A 8 20.671 1.326 1.752 1.00 0.00 O ATOM 111 CB SER A 8 21.239 3.567 0.040 1.00 0.00 C ATOM 112 OG SER A 8 21.976 4.720 -0.339 1.00 0.00 O ATOM 0 H SER A 8 22.722 3.901 1.998 1.00 0.00 H new ATOM 0 HA SER A 8 19.941 4.482 1.466 1.00 0.00 H new ATOM 0 HB2 SER A 8 21.874 2.684 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 8 20.408 3.418 -0.650 1.00 0.00 H new ATOM 0 HG SER A 8 21.879 5.411 0.349 1.00 0.00 H new ATOM 118 N MET A 9 18.941 2.496 2.578 1.00 0.00 N ATOM 119 CA MET A 9 18.332 1.343 3.232 1.00 0.00 C ATOM 120 C MET A 9 16.812 1.288 3.038 1.00 0.00 C ATOM 121 O MET A 9 16.304 0.293 2.516 1.00 0.00 O ATOM 122 CB MET A 9 18.686 1.331 4.727 1.00 0.00 C ATOM 123 CG MET A 9 18.108 0.148 5.487 1.00 0.00 C ATOM 124 SD MET A 9 18.484 0.211 7.250 1.00 0.00 S ATOM 125 CE MET A 9 17.691 -1.291 7.819 1.00 0.00 C ATOM 0 H MET A 9 18.404 3.360 2.658 1.00 0.00 H new ATOM 0 HA MET A 9 18.742 0.452 2.757 1.00 0.00 H new ATOM 0 HB2 MET A 9 19.771 1.324 4.834 1.00 0.00 H new ATOM 0 HB3 MET A 9 18.327 2.254 5.183 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.027 0.125 5.350 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.502 -0.777 5.067 1.00 0.00 H new ATOM 0 HE1 MET A 9 17.836 -1.394 8.894 1.00 0.00 H new ATOM 0 HE2 MET A 9 16.624 -1.245 7.599 1.00 0.00 H new ATOM 0 HE3 MET A 9 18.130 -2.149 7.310 1.00 0.00 H new ATOM 135 N PRO A 10 16.061 2.344 3.429 1.00 0.00 N ATOM 136 CA PRO A 10 14.592 2.296 3.461 1.00 0.00 C ATOM 137 C PRO A 10 13.982 2.108 2.072 1.00 0.00 C ATOM 138 O PRO A 10 13.595 0.995 1.724 1.00 0.00 O ATOM 139 CB PRO A 10 14.200 3.649 4.071 1.00 0.00 C ATOM 140 CG PRO A 10 15.443 4.146 4.720 1.00 0.00 C ATOM 141 CD PRO A 10 16.551 3.668 3.845 1.00 0.00 C ATOM 0 HA PRO A 10 14.221 1.446 4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 10 13.849 4.341 3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.393 3.538 4.795 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.441 5.233 4.796 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.543 3.756 5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 10 16.713 4.329 2.994 1.00 0.00 H new ATOM 0 HD3 PRO A 10 17.497 3.603 4.383 1.00 0.00 H new ATOM 149 N THR A 11 13.905 3.201 1.302 1.00 0.00 N ATOM 150 CA THR A 11 13.501 3.206 -0.122 1.00 0.00 C ATOM 151 C THR A 11 12.061 2.721 -0.394 1.00 0.00 C ATOM 152 O THR A 11 11.312 3.377 -1.119 1.00 0.00 O ATOM 153 CB THR A 11 14.499 2.430 -1.028 1.00 0.00 C ATOM 154 OG1 THR A 11 14.685 1.083 -0.574 1.00 0.00 O ATOM 155 CG2 THR A 11 15.847 3.135 -1.071 1.00 0.00 C ATOM 0 H THR A 11 14.126 4.132 1.655 1.00 0.00 H new ATOM 0 HA THR A 11 13.525 4.263 -0.385 1.00 0.00 H new ATOM 0 HB THR A 11 14.069 2.404 -2.029 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.007 0.869 0.101 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.530 2.575 -1.710 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.719 4.141 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.259 3.194 -0.064 1.00 0.00 H new ATOM 163 N ALA A 12 11.670 1.594 0.183 1.00 0.00 N ATOM 164 CA ALA A 12 10.391 0.972 -0.136 1.00 0.00 C ATOM 165 C ALA A 12 9.214 1.711 0.496 1.00 0.00 C ATOM 166 O ALA A 12 8.296 2.137 -0.203 1.00 0.00 O ATOM 167 CB ALA A 12 10.400 -0.482 0.311 1.00 0.00 C ATOM 0 H ALA A 12 12.222 1.089 0.877 1.00 0.00 H new ATOM 0 HA ALA A 12 10.260 1.025 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.442 -0.943 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.199 -1.016 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.566 -0.531 1.387 1.00 0.00 H new ATOM 173 N ILE A 13 9.258 1.875 1.815 1.00 0.00 N ATOM 174 CA ILE A 13 8.140 2.450 2.564 1.00 0.00 C ATOM 175 C ILE A 13 7.821 3.868 2.095 1.00 0.00 C ATOM 176 O ILE A 13 6.662 4.210 1.858 1.00 0.00 O ATOM 177 CB ILE A 13 8.440 2.466 4.080 1.00 0.00 C ATOM 178 CG1 ILE A 13 8.761 1.052 4.575 1.00 0.00 C ATOM 179 CG2 ILE A 13 7.272 3.055 4.859 1.00 0.00 C ATOM 180 CD1 ILE A 13 7.652 0.049 4.335 1.00 0.00 C ATOM 0 H ILE A 13 10.059 1.617 2.391 1.00 0.00 H new ATOM 0 HA ILE A 13 7.272 1.818 2.376 1.00 0.00 H new ATOM 0 HB ILE A 13 9.311 3.099 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.667 0.702 4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.976 1.092 5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.508 3.055 5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.092 4.077 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.379 2.455 4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.956 -0.927 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.749 0.374 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.451 -0.023 3.266 1.00 0.00 H new ATOM 192 N GLU A 14 8.861 4.680 1.950 1.00 0.00 N ATOM 193 CA GLU A 14 8.703 6.067 1.537 1.00 0.00 C ATOM 194 C GLU A 14 8.105 6.163 0.137 1.00 0.00 C ATOM 195 O GLU A 14 7.308 7.058 -0.140 1.00 0.00 O ATOM 196 CB GLU A 14 10.053 6.790 1.602 1.00 0.00 C ATOM 197 CG GLU A 14 11.138 6.131 0.764 1.00 0.00 C ATOM 198 CD GLU A 14 12.528 6.576 1.156 1.00 0.00 C ATOM 199 OE1 GLU A 14 13.134 5.930 2.039 1.00 0.00 O ATOM 200 OE2 GLU A 14 13.029 7.562 0.581 1.00 0.00 O ATOM 0 H GLU A 14 9.828 4.399 2.114 1.00 0.00 H new ATOM 0 HA GLU A 14 8.010 6.552 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.921 7.819 1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.383 6.833 2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.065 5.048 0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.970 6.362 -0.288 1.00 0.00 H new ATOM 207 N LYS A 15 8.470 5.224 -0.735 1.00 0.00 N ATOM 208 CA LYS A 15 7.958 5.220 -2.096 1.00 0.00 C ATOM 209 C LYS A 15 6.551 4.639 -2.133 1.00 0.00 C ATOM 210 O LYS A 15 5.733 5.030 -2.959 1.00 0.00 O ATOM 211 CB LYS A 15 8.878 4.441 -3.034 1.00 0.00 C ATOM 212 CG LYS A 15 8.610 4.742 -4.497 1.00 0.00 C ATOM 213 CD LYS A 15 9.586 4.035 -5.413 1.00 0.00 C ATOM 214 CE LYS A 15 9.494 4.596 -6.818 1.00 0.00 C ATOM 215 NZ LYS A 15 10.342 3.850 -7.782 1.00 0.00 N ATOM 0 H LYS A 15 9.114 4.463 -0.521 1.00 0.00 H new ATOM 0 HA LYS A 15 7.923 6.253 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.915 4.681 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.751 3.373 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.594 4.439 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.672 5.818 -4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.601 4.153 -5.034 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.373 2.966 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.457 4.565 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.795 5.644 -6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.258 4.282 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.334 3.886 -7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.028 2.859 -7.826 1.00 0.00 H new ATOM 229 N ALA A 16 6.268 3.712 -1.225 1.00 0.00 N ATOM 230 CA ALA A 16 4.924 3.165 -1.091 1.00 0.00 C ATOM 231 C ALA A 16 3.953 4.274 -0.707 1.00 0.00 C ATOM 232 O ALA A 16 2.874 4.402 -1.286 1.00 0.00 O ATOM 233 CB ALA A 16 4.901 2.045 -0.059 1.00 0.00 C ATOM 0 H ALA A 16 6.950 3.325 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 16 4.616 2.744 -2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.889 1.650 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.576 1.249 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.221 2.434 0.907 1.00 0.00 H new ATOM 239 N LEU A 17 4.361 5.095 0.257 1.00 0.00 N ATOM 240 CA LEU A 17 3.575 6.254 0.659 1.00 0.00 C ATOM 241 C LEU A 17 3.564 7.296 -0.453 1.00 0.00 C ATOM 242 O LEU A 17 2.627 8.076 -0.573 1.00 0.00 O ATOM 243 CB LEU A 17 4.137 6.882 1.937 1.00 0.00 C ATOM 244 CG LEU A 17 4.114 5.996 3.181 1.00 0.00 C ATOM 245 CD1 LEU A 17 4.686 6.751 4.369 1.00 0.00 C ATOM 246 CD2 LEU A 17 2.697 5.530 3.480 1.00 0.00 C ATOM 0 H LEU A 17 5.233 4.977 0.774 1.00 0.00 H new ATOM 0 HA LEU A 17 2.557 5.916 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.167 7.183 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.573 7.790 2.151 1.00 0.00 H new ATOM 0 HG LEU A 17 4.730 5.117 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.665 6.111 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.715 7.041 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.089 7.644 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.701 4.900 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.058 6.396 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.315 4.959 2.633 1.00 0.00 H new ATOM 258 N ASP A 18 4.616 7.295 -1.260 1.00 0.00 N ATOM 259 CA ASP A 18 4.729 8.220 -2.383 1.00 0.00 C ATOM 260 C ASP A 18 3.701 7.863 -3.456 1.00 0.00 C ATOM 261 O ASP A 18 3.055 8.743 -4.024 1.00 0.00 O ATOM 262 CB ASP A 18 6.149 8.182 -2.956 1.00 0.00 C ATOM 263 CG ASP A 18 6.419 9.284 -3.960 1.00 0.00 C ATOM 264 OD1 ASP A 18 6.166 9.077 -5.162 1.00 0.00 O ATOM 265 OD2 ASP A 18 6.904 10.363 -3.549 1.00 0.00 O ATOM 0 H ASP A 18 5.408 6.661 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 18 4.528 9.233 -2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.866 8.261 -2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.315 7.216 -3.433 1.00 0.00 H new ATOM 270 N PHE A 19 3.548 6.565 -3.715 1.00 0.00 N ATOM 271 CA PHE A 19 2.513 6.078 -4.626 1.00 0.00 C ATOM 272 C PHE A 19 1.132 6.485 -4.125 1.00 0.00 C ATOM 273 O PHE A 19 0.345 7.085 -4.859 1.00 0.00 O ATOM 274 CB PHE A 19 2.554 4.551 -4.761 1.00 0.00 C ATOM 275 CG PHE A 19 3.657 4.015 -5.626 1.00 0.00 C ATOM 276 CD1 PHE A 19 3.730 4.350 -6.967 1.00 0.00 C ATOM 277 CD2 PHE A 19 4.605 3.149 -5.103 1.00 0.00 C ATOM 278 CE1 PHE A 19 4.729 3.833 -7.771 1.00 0.00 C ATOM 279 CE2 PHE A 19 5.608 2.633 -5.899 1.00 0.00 C ATOM 280 CZ PHE A 19 5.669 2.975 -7.235 1.00 0.00 C ATOM 0 H PHE A 19 4.128 5.832 -3.307 1.00 0.00 H new ATOM 0 HA PHE A 19 2.707 6.525 -5.601 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.651 4.117 -3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.600 4.212 -5.165 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.999 5.023 -7.390 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.558 2.875 -4.060 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.774 4.100 -8.817 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.343 1.963 -5.478 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.451 2.572 -7.861 1.00 0.00 H new ATOM 290 N ILE A 20 0.850 6.151 -2.867 1.00 0.00 N ATOM 291 CA ILE A 20 -0.452 6.434 -2.262 1.00 0.00 C ATOM 292 C ILE A 20 -0.693 7.944 -2.169 1.00 0.00 C ATOM 293 O ILE A 20 -1.769 8.436 -2.507 1.00 0.00 O ATOM 294 CB ILE A 20 -0.558 5.805 -0.853 1.00 0.00 C ATOM 295 CG1 ILE A 20 -0.318 4.294 -0.929 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.921 6.097 -0.234 1.00 0.00 C ATOM 297 CD1 ILE A 20 -0.328 3.609 0.420 1.00 0.00 C ATOM 0 H ILE A 20 1.508 5.682 -2.244 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.214 5.991 -2.903 1.00 0.00 H new ATOM 0 HB ILE A 20 0.208 6.250 -0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.084 3.844 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.642 4.111 -1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.975 5.646 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.059 7.175 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.705 5.679 -0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.152 2.542 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.456 4.031 1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.296 3.760 0.898 1.00 0.00 H new ATOM 309 N GLY A 21 0.330 8.670 -1.733 1.00 0.00 N ATOM 310 CA GLY A 21 0.249 10.118 -1.645 1.00 0.00 C ATOM 311 C GLY A 21 0.086 10.777 -3.003 1.00 0.00 C ATOM 312 O GLY A 21 -0.199 11.975 -3.095 1.00 0.00 O ATOM 0 H GLY A 21 1.223 8.277 -1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.592 10.393 -1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.150 10.500 -1.166 1.00 0.00 H new ATOM 316 N GLY A 22 0.273 10.000 -4.064 1.00 0.00 N ATOM 317 CA GLY A 22 0.018 10.482 -5.407 1.00 0.00 C ATOM 318 C GLY A 22 -1.461 10.429 -5.742 1.00 0.00 C ATOM 319 O GLY A 22 -1.861 9.885 -6.775 1.00 0.00 O ATOM 0 H GLY A 22 0.600 9.035 -4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.378 11.507 -5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.577 9.880 -6.124 1.00 0.00 H new ATOM 323 N MET A 23 -2.265 10.994 -4.856 1.00 0.00 N ATOM 324 CA MET A 23 -3.713 10.998 -4.999 1.00 0.00 C ATOM 325 C MET A 23 -4.166 12.193 -5.825 1.00 0.00 C ATOM 326 O MET A 23 -5.358 12.338 -6.122 1.00 0.00 O ATOM 327 CB MET A 23 -4.374 11.040 -3.618 1.00 0.00 C ATOM 328 CG MET A 23 -4.014 12.278 -2.810 1.00 0.00 C ATOM 329 SD MET A 23 -4.826 12.326 -1.202 1.00 0.00 S ATOM 330 CE MET A 23 -4.186 13.871 -0.562 1.00 0.00 C ATOM 0 H MET A 23 -1.931 11.464 -4.015 1.00 0.00 H new ATOM 0 HA MET A 23 -4.013 10.085 -5.514 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.456 10.998 -3.741 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.082 10.152 -3.057 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.934 12.311 -2.667 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.288 13.168 -3.377 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.896 14.292 0.150 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.234 13.691 -0.062 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.037 14.571 -1.384 1.00 0.00 H new ATOM 340 N ASN A 24 -3.202 13.037 -6.194 1.00 0.00 N ATOM 341 CA ASN A 24 -3.454 14.259 -6.957 1.00 0.00 C ATOM 342 C ASN A 24 -4.261 15.265 -6.140 1.00 0.00 C ATOM 343 O ASN A 24 -3.713 16.241 -5.630 1.00 0.00 O ATOM 344 CB ASN A 24 -4.159 13.936 -8.282 1.00 0.00 C ATOM 345 CG ASN A 24 -4.391 15.162 -9.145 1.00 0.00 C ATOM 346 OD1 ASN A 24 -3.665 16.149 -9.052 1.00 0.00 O ATOM 347 ND2 ASN A 24 -5.393 15.097 -10.006 1.00 0.00 N ATOM 0 H ASN A 24 -2.218 12.891 -5.970 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.491 14.716 -7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.561 13.215 -8.839 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.117 13.461 -8.071 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.586 15.885 -10.624 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.972 14.259 -10.052 1.00 0.00 H new ATOM 354 N THR A 25 -5.548 14.995 -5.985 1.00 0.00 N ATOM 355 CA THR A 25 -6.460 15.891 -5.281 1.00 0.00 C ATOM 356 C THR A 25 -7.874 15.300 -5.245 1.00 0.00 C ATOM 357 O THR A 25 -8.630 15.523 -4.298 1.00 0.00 O ATOM 358 CB THR A 25 -6.491 17.302 -5.933 1.00 0.00 C ATOM 359 OG1 THR A 25 -7.380 18.169 -5.216 1.00 0.00 O ATOM 360 CG2 THR A 25 -6.924 17.232 -7.392 1.00 0.00 C ATOM 0 H THR A 25 -5.992 14.149 -6.343 1.00 0.00 H new ATOM 0 HA THR A 25 -6.091 15.998 -4.261 1.00 0.00 H new ATOM 0 HB THR A 25 -5.478 17.702 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.386 19.053 -5.639 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.935 18.236 -7.817 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.224 16.609 -7.950 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.923 16.801 -7.455 1.00 0.00 H new ATOM 368 N SER A 26 -8.208 14.522 -6.269 1.00 0.00 N ATOM 369 CA SER A 26 -9.542 13.947 -6.403 1.00 0.00 C ATOM 370 C SER A 26 -9.774 12.808 -5.409 1.00 0.00 C ATOM 371 O SER A 26 -10.908 12.556 -4.993 1.00 0.00 O ATOM 372 CB SER A 26 -9.739 13.446 -7.841 1.00 0.00 C ATOM 373 OG SER A 26 -10.995 12.813 -8.014 1.00 0.00 O ATOM 0 H SER A 26 -7.568 14.274 -7.024 1.00 0.00 H new ATOM 0 HA SER A 26 -10.272 14.725 -6.179 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.657 14.285 -8.532 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.942 12.746 -8.094 1.00 0.00 H new ATOM 0 HG SER A 26 -11.083 12.510 -8.942 1.00 0.00 H new ATOM 379 N ALA A 27 -8.706 12.135 -5.004 1.00 0.00 N ATOM 380 CA ALA A 27 -8.840 10.956 -4.165 1.00 0.00 C ATOM 381 C ALA A 27 -9.143 11.320 -2.722 1.00 0.00 C ATOM 382 O ALA A 27 -8.325 11.912 -2.020 1.00 0.00 O ATOM 383 CB ALA A 27 -7.611 10.082 -4.245 1.00 0.00 C ATOM 0 H ALA A 27 -7.746 12.384 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.688 10.389 -4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.743 9.209 -3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.461 9.759 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.740 10.647 -3.912 1.00 0.00 H new ATOM 389 N SER A 28 -10.347 10.972 -2.318 1.00 0.00 N ATOM 390 CA SER A 28 -10.834 11.140 -0.958 1.00 0.00 C ATOM 391 C SER A 28 -12.040 10.242 -0.805 1.00 0.00 C ATOM 392 O SER A 28 -12.042 9.283 -0.032 1.00 0.00 O ATOM 393 CB SER A 28 -11.230 12.594 -0.707 1.00 0.00 C ATOM 394 OG SER A 28 -10.096 13.449 -0.730 1.00 0.00 O ATOM 0 H SER A 28 -11.036 10.552 -2.942 1.00 0.00 H new ATOM 0 HA SER A 28 -10.058 10.880 -0.238 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.945 12.914 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.730 12.676 0.258 1.00 0.00 H new ATOM 0 HG SER A 28 -9.289 12.918 -0.898 1.00 0.00 H new ATOM 400 N VAL A 29 -13.031 10.531 -1.626 1.00 0.00 N ATOM 401 CA VAL A 29 -14.221 9.710 -1.732 1.00 0.00 C ATOM 402 C VAL A 29 -14.123 8.876 -3.012 1.00 0.00 C ATOM 403 O VAL A 29 -14.126 7.647 -2.944 1.00 0.00 O ATOM 404 CB VAL A 29 -15.525 10.549 -1.715 1.00 0.00 C ATOM 405 CG1 VAL A 29 -16.750 9.649 -1.794 1.00 0.00 C ATOM 406 CG2 VAL A 29 -15.582 11.423 -0.471 1.00 0.00 C ATOM 0 H VAL A 29 -13.033 11.345 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 29 -14.272 9.058 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.523 11.197 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.652 10.260 -1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -16.718 9.070 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -16.759 8.971 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -16.504 12.004 -0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.556 10.793 0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.727 12.099 -0.462 1.00 0.00 H new ATOM 416 N PRO A 30 -13.992 9.513 -4.201 1.00 0.00 N ATOM 417 CA PRO A 30 -13.666 8.787 -5.425 1.00 0.00 C ATOM 418 C PRO A 30 -12.195 8.381 -5.446 1.00 0.00 C ATOM 419 O PRO A 30 -11.309 9.192 -5.172 1.00 0.00 O ATOM 420 CB PRO A 30 -13.960 9.790 -6.538 1.00 0.00 C ATOM 421 CG PRO A 30 -13.781 11.123 -5.908 1.00 0.00 C ATOM 422 CD PRO A 30 -14.179 10.964 -4.467 1.00 0.00 C ATOM 0 HA PRO A 30 -14.236 7.863 -5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.281 9.656 -7.380 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.972 9.668 -6.923 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.747 11.457 -5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.399 11.873 -6.402 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.557 11.574 -3.811 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.212 11.270 -4.302 1.00 0.00 H new ATOM 430 N HIS A 31 -11.938 7.116 -5.721 1.00 0.00 N ATOM 431 CA HIS A 31 -10.576 6.613 -5.797 1.00 0.00 C ATOM 432 C HIS A 31 -10.359 5.936 -7.146 1.00 0.00 C ATOM 433 O HIS A 31 -10.354 4.710 -7.238 1.00 0.00 O ATOM 434 CB HIS A 31 -10.290 5.632 -4.650 1.00 0.00 C ATOM 435 CG HIS A 31 -10.178 6.262 -3.285 1.00 0.00 C ATOM 436 ND1 HIS A 31 -9.186 5.931 -2.390 1.00 0.00 N ATOM 437 CD2 HIS A 31 -10.956 7.177 -2.648 1.00 0.00 C ATOM 438 CE1 HIS A 31 -9.355 6.600 -1.268 1.00 0.00 C ATOM 439 NE2 HIS A 31 -10.423 7.363 -1.396 1.00 0.00 N ATOM 0 H HIS A 31 -12.657 6.414 -5.896 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.885 7.450 -5.700 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.083 4.885 -4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.362 5.104 -4.867 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -8.433 5.267 -2.569 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.830 7.666 -3.051 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.726 6.535 -0.392 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -10.793 7.990 -0.681 1.00 0.00 H new ATOM 448 N SER A 32 -10.200 6.758 -8.184 1.00 0.00 N ATOM 449 CA SER A 32 -10.154 6.296 -9.574 1.00 0.00 C ATOM 450 C SER A 32 -9.102 5.212 -9.800 1.00 0.00 C ATOM 451 O SER A 32 -9.416 4.024 -9.847 1.00 0.00 O ATOM 452 CB SER A 32 -9.855 7.487 -10.483 1.00 0.00 C ATOM 453 OG SER A 32 -10.669 8.599 -10.145 1.00 0.00 O ATOM 0 H SER A 32 -10.099 7.768 -8.085 1.00 0.00 H new ATOM 0 HA SER A 32 -11.124 5.858 -9.808 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.804 7.761 -10.396 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.027 7.208 -11.523 1.00 0.00 H new ATOM 0 HG SER A 32 -10.459 9.350 -10.738 1.00 0.00 H new ATOM 459 N MET A 33 -7.851 5.626 -9.942 1.00 0.00 N ATOM 460 CA MET A 33 -6.764 4.677 -10.115 1.00 0.00 C ATOM 461 C MET A 33 -6.339 4.149 -8.763 1.00 0.00 C ATOM 462 O MET A 33 -5.805 3.048 -8.652 1.00 0.00 O ATOM 463 CB MET A 33 -5.570 5.328 -10.825 1.00 0.00 C ATOM 464 CG MET A 33 -5.077 6.608 -10.167 1.00 0.00 C ATOM 465 SD MET A 33 -3.313 6.574 -9.773 1.00 0.00 S ATOM 466 CE MET A 33 -3.284 5.348 -8.465 1.00 0.00 C ATOM 0 H MET A 33 -7.566 6.605 -9.941 1.00 0.00 H new ATOM 0 HA MET A 33 -7.116 3.854 -10.737 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.749 4.612 -10.862 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.849 5.547 -11.856 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.278 7.450 -10.829 1.00 0.00 H new ATOM 0 HG3 MET A 33 -5.644 6.780 -9.252 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.266 5.240 -8.090 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.938 5.667 -7.653 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.631 4.391 -8.855 1.00 0.00 H new ATOM 476 N ASP A 34 -6.609 4.949 -7.739 1.00 0.00 N ATOM 477 CA ASP A 34 -6.182 4.650 -6.380 1.00 0.00 C ATOM 478 C ASP A 34 -6.637 3.268 -5.939 1.00 0.00 C ATOM 479 O ASP A 34 -5.811 2.411 -5.658 1.00 0.00 O ATOM 480 CB ASP A 34 -6.715 5.702 -5.412 1.00 0.00 C ATOM 481 CG ASP A 34 -6.362 5.382 -3.973 1.00 0.00 C ATOM 482 OD1 ASP A 34 -5.296 5.817 -3.513 1.00 0.00 O ATOM 483 OD2 ASP A 34 -7.171 4.705 -3.299 1.00 0.00 O ATOM 0 H ASP A 34 -7.129 5.822 -7.828 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.092 4.666 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.307 6.678 -5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.798 5.771 -5.513 1.00 0.00 H new ATOM 488 N GLU A 35 -7.946 3.040 -5.922 1.00 0.00 N ATOM 489 CA GLU A 35 -8.485 1.807 -5.361 1.00 0.00 C ATOM 490 C GLU A 35 -7.937 0.579 -6.082 1.00 0.00 C ATOM 491 O GLU A 35 -7.564 -0.408 -5.449 1.00 0.00 O ATOM 492 CB GLU A 35 -10.013 1.790 -5.414 1.00 0.00 C ATOM 493 CG GLU A 35 -10.600 0.776 -4.448 1.00 0.00 C ATOM 494 CD GLU A 35 -12.027 0.383 -4.758 1.00 0.00 C ATOM 495 OE1 GLU A 35 -12.943 1.186 -4.505 1.00 0.00 O ATOM 496 OE2 GLU A 35 -12.237 -0.764 -5.211 1.00 0.00 O ATOM 0 H GLU A 35 -8.647 3.685 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.169 1.772 -4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.396 2.782 -5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.339 1.557 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.978 -0.119 -4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.558 1.185 -3.439 1.00 0.00 H new ATOM 503 N SER A 36 -7.880 0.648 -7.403 1.00 0.00 N ATOM 504 CA SER A 36 -7.410 -0.477 -8.199 1.00 0.00 C ATOM 505 C SER A 36 -5.917 -0.720 -7.975 1.00 0.00 C ATOM 506 O SER A 36 -5.496 -1.839 -7.673 1.00 0.00 O ATOM 507 CB SER A 36 -7.686 -0.214 -9.680 1.00 0.00 C ATOM 508 OG SER A 36 -9.057 0.083 -9.902 1.00 0.00 O ATOM 0 H SER A 36 -8.152 1.468 -7.946 1.00 0.00 H new ATOM 0 HA SER A 36 -7.949 -1.371 -7.886 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.071 0.617 -10.025 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.401 -1.087 -10.267 1.00 0.00 H new ATOM 0 HG SER A 36 -9.205 0.249 -10.856 1.00 0.00 H new ATOM 514 N THR A 37 -5.123 0.339 -8.095 1.00 0.00 N ATOM 515 CA THR A 37 -3.678 0.220 -8.013 1.00 0.00 C ATOM 516 C THR A 37 -3.211 -0.032 -6.577 1.00 0.00 C ATOM 517 O THR A 37 -2.344 -0.876 -6.344 1.00 0.00 O ATOM 518 CB THR A 37 -2.998 1.483 -8.580 1.00 0.00 C ATOM 519 OG1 THR A 37 -3.462 1.709 -9.920 1.00 0.00 O ATOM 520 CG2 THR A 37 -1.483 1.339 -8.586 1.00 0.00 C ATOM 0 H THR A 37 -5.460 1.289 -8.250 1.00 0.00 H new ATOM 0 HA THR A 37 -3.387 -0.641 -8.614 1.00 0.00 H new ATOM 0 HB THR A 37 -3.257 2.329 -7.943 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.333 2.157 -9.893 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.033 2.245 -8.991 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.128 1.182 -7.567 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.201 0.486 -9.204 1.00 0.00 H new ATOM 528 N ALA A 38 -3.800 0.675 -5.619 1.00 0.00 N ATOM 529 CA ALA A 38 -3.402 0.546 -4.221 1.00 0.00 C ATOM 530 C ALA A 38 -3.672 -0.864 -3.704 1.00 0.00 C ATOM 531 O ALA A 38 -2.796 -1.493 -3.111 1.00 0.00 O ATOM 532 CB ALA A 38 -4.118 1.569 -3.350 1.00 0.00 C ATOM 0 H ALA A 38 -4.554 1.342 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.330 0.737 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.802 1.449 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.870 2.574 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.195 1.417 -3.421 1.00 0.00 H new ATOM 538 N LYS A 39 -4.885 -1.365 -3.948 1.00 0.00 N ATOM 539 CA LYS A 39 -5.250 -2.715 -3.524 1.00 0.00 C ATOM 540 C LYS A 39 -4.397 -3.754 -4.240 1.00 0.00 C ATOM 541 O LYS A 39 -4.065 -4.794 -3.670 1.00 0.00 O ATOM 542 CB LYS A 39 -6.734 -2.992 -3.777 1.00 0.00 C ATOM 543 CG LYS A 39 -7.665 -2.221 -2.856 1.00 0.00 C ATOM 544 CD LYS A 39 -9.125 -2.490 -3.191 1.00 0.00 C ATOM 545 CE LYS A 39 -10.061 -1.726 -2.265 1.00 0.00 C ATOM 546 NZ LYS A 39 -11.485 -1.854 -2.676 1.00 0.00 N ATOM 0 H LYS A 39 -5.625 -0.859 -4.434 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.065 -2.785 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.970 -2.741 -4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.921 -4.059 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.470 -2.502 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.461 -1.154 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.321 -2.204 -4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.326 -3.558 -3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.944 -2.096 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.780 -0.673 -2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.029 -1.052 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.548 -1.857 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.875 -2.743 -2.303 1.00 0.00 H new ATOM 560 N GLY A 40 -4.050 -3.468 -5.488 1.00 0.00 N ATOM 561 CA GLY A 40 -3.165 -4.339 -6.232 1.00 0.00 C ATOM 562 C GLY A 40 -1.791 -4.416 -5.593 1.00 0.00 C ATOM 563 O GLY A 40 -1.239 -5.504 -5.420 1.00 0.00 O ATOM 0 H GLY A 40 -4.368 -2.644 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.598 -5.338 -6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.071 -3.976 -7.255 1.00 0.00 H new ATOM 567 N ILE A 41 -1.250 -3.252 -5.237 1.00 0.00 N ATOM 568 CA ILE A 41 0.031 -3.170 -4.549 1.00 0.00 C ATOM 569 C ILE A 41 -0.021 -3.937 -3.229 1.00 0.00 C ATOM 570 O ILE A 41 0.872 -4.724 -2.920 1.00 0.00 O ATOM 571 CB ILE A 41 0.429 -1.699 -4.270 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.673 -0.942 -5.582 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.671 -1.640 -3.387 1.00 0.00 C ATOM 574 CD1 ILE A 41 1.003 0.531 -5.391 1.00 0.00 C ATOM 0 H ILE A 41 -1.686 -2.347 -5.417 1.00 0.00 H new ATOM 0 HA ILE A 41 0.781 -3.617 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.396 -1.218 -3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.491 -1.421 -6.120 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.214 -1.027 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.936 -0.599 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.467 -2.137 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.499 -2.141 -3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.162 0.997 -6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.176 1.026 -4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.908 0.626 -4.791 1.00 0.00 H new ATOM 586 N LEU A 42 -1.091 -3.718 -2.475 1.00 0.00 N ATOM 587 CA LEU A 42 -1.273 -4.363 -1.179 1.00 0.00 C ATOM 588 C LEU A 42 -1.255 -5.884 -1.303 1.00 0.00 C ATOM 589 O LEU A 42 -0.564 -6.567 -0.546 1.00 0.00 O ATOM 590 CB LEU A 42 -2.586 -3.908 -0.538 1.00 0.00 C ATOM 591 CG LEU A 42 -2.651 -2.426 -0.159 1.00 0.00 C ATOM 592 CD1 LEU A 42 -4.018 -2.077 0.404 1.00 0.00 C ATOM 593 CD2 LEU A 42 -1.560 -2.081 0.841 1.00 0.00 C ATOM 0 H LEU A 42 -1.852 -3.093 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.439 -4.066 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.402 -4.126 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.759 -4.503 0.359 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.490 -1.836 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.044 -1.020 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.783 -2.284 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.209 -2.677 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.623 -1.024 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.689 -2.681 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.585 -2.290 0.402 1.00 0.00 H new ATOM 605 N LYS A 43 -2.011 -6.412 -2.260 1.00 0.00 N ATOM 606 CA LYS A 43 -2.082 -7.857 -2.454 1.00 0.00 C ATOM 607 C LYS A 43 -0.755 -8.406 -2.965 1.00 0.00 C ATOM 608 O LYS A 43 -0.343 -9.506 -2.589 1.00 0.00 O ATOM 609 CB LYS A 43 -3.214 -8.230 -3.416 1.00 0.00 C ATOM 610 CG LYS A 43 -4.598 -7.846 -2.915 1.00 0.00 C ATOM 611 CD LYS A 43 -5.695 -8.455 -3.778 1.00 0.00 C ATOM 612 CE LYS A 43 -7.072 -7.986 -3.336 1.00 0.00 C ATOM 613 NZ LYS A 43 -8.167 -8.722 -4.025 1.00 0.00 N ATOM 0 H LYS A 43 -2.579 -5.867 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.292 -8.308 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.038 -7.744 -4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.188 -9.305 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.718 -8.179 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.697 -6.760 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.533 -8.182 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.644 -9.542 -3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.170 -8.118 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.172 -6.919 -3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.086 -8.380 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.101 -8.562 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.080 -9.739 -3.827 1.00 0.00 H new ATOM 627 N TYR A 44 -0.080 -7.633 -3.805 1.00 0.00 N ATOM 628 CA TYR A 44 1.212 -8.036 -4.343 1.00 0.00 C ATOM 629 C TYR A 44 2.252 -8.119 -3.226 1.00 0.00 C ATOM 630 O TYR A 44 2.961 -9.120 -3.100 1.00 0.00 O ATOM 631 CB TYR A 44 1.668 -7.056 -5.431 1.00 0.00 C ATOM 632 CG TYR A 44 2.956 -7.460 -6.111 1.00 0.00 C ATOM 633 CD1 TYR A 44 3.012 -8.591 -6.916 1.00 0.00 C ATOM 634 CD2 TYR A 44 4.115 -6.710 -5.954 1.00 0.00 C ATOM 635 CE1 TYR A 44 4.186 -8.966 -7.541 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.293 -7.078 -6.577 1.00 0.00 C ATOM 637 CZ TYR A 44 5.322 -8.206 -7.369 1.00 0.00 C ATOM 638 OH TYR A 44 6.496 -8.580 -7.983 1.00 0.00 O ATOM 0 H TYR A 44 -0.406 -6.722 -4.129 1.00 0.00 H new ATOM 0 HA TYR A 44 1.108 -9.024 -4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.883 -6.969 -6.182 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.796 -6.068 -4.988 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.123 -9.187 -7.056 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.095 -5.825 -5.335 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.213 -9.850 -8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.186 -6.485 -6.444 1.00 0.00 H new ATOM 0 HH TYR A 44 6.386 -8.532 -8.956 1.00 0.00 H new ATOM 648 N LEU A 45 2.324 -7.075 -2.405 1.00 0.00 N ATOM 649 CA LEU A 45 3.255 -7.041 -1.279 1.00 0.00 C ATOM 650 C LEU A 45 2.948 -8.162 -0.291 1.00 0.00 C ATOM 651 O LEU A 45 3.856 -8.781 0.269 1.00 0.00 O ATOM 652 CB LEU A 45 3.188 -5.687 -0.568 1.00 0.00 C ATOM 653 CG LEU A 45 3.628 -4.484 -1.405 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.531 -3.206 -0.590 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.046 -4.676 -1.923 1.00 0.00 C ATOM 0 H LEU A 45 1.747 -6.239 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 45 4.262 -7.185 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.164 -5.521 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.810 -5.734 0.326 1.00 0.00 H new ATOM 0 HG LEU A 45 2.959 -4.402 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.848 -2.360 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.500 -3.056 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.176 -3.283 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.338 -3.809 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.729 -4.787 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.088 -5.570 -2.544 1.00 0.00 H new ATOM 667 N HIS A 46 1.656 -8.415 -0.096 1.00 0.00 N ATOM 668 CA HIS A 46 1.187 -9.501 0.747 1.00 0.00 C ATOM 669 C HIS A 46 1.853 -10.820 0.378 1.00 0.00 C ATOM 670 O HIS A 46 2.395 -11.512 1.236 1.00 0.00 O ATOM 671 CB HIS A 46 -0.332 -9.636 0.601 1.00 0.00 C ATOM 672 CG HIS A 46 -0.911 -10.826 1.304 1.00 0.00 C ATOM 673 ND1 HIS A 46 -1.250 -11.997 0.656 1.00 0.00 N ATOM 674 CD2 HIS A 46 -1.211 -11.014 2.607 1.00 0.00 C ATOM 675 CE1 HIS A 46 -1.738 -12.853 1.535 1.00 0.00 C ATOM 676 NE2 HIS A 46 -1.727 -12.285 2.725 1.00 0.00 N ATOM 0 H HIS A 46 0.907 -7.869 -0.521 1.00 0.00 H new ATOM 0 HA HIS A 46 1.447 -9.269 1.780 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.805 -8.733 0.988 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.580 -9.697 -0.459 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -1.141 -12.173 -0.343 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.072 -10.301 3.406 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.088 -13.851 1.316 1.00 0.00 H new ATOM 685 N ASP A 47 1.813 -11.163 -0.899 1.00 0.00 N ATOM 686 CA ASP A 47 2.315 -12.452 -1.350 1.00 0.00 C ATOM 687 C ASP A 47 3.820 -12.430 -1.579 1.00 0.00 C ATOM 688 O ASP A 47 4.431 -13.472 -1.819 1.00 0.00 O ATOM 689 CB ASP A 47 1.570 -12.912 -2.601 1.00 0.00 C ATOM 690 CG ASP A 47 0.252 -13.576 -2.254 1.00 0.00 C ATOM 691 OD1 ASP A 47 -0.683 -12.874 -1.809 1.00 0.00 O ATOM 692 OD2 ASP A 47 0.152 -14.813 -2.398 1.00 0.00 O ATOM 0 H ASP A 47 1.440 -10.570 -1.640 1.00 0.00 H new ATOM 0 HA ASP A 47 2.128 -13.174 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.387 -12.056 -3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.193 -13.610 -3.160 1.00 0.00 H new ATOM 697 N LEU A 48 4.414 -11.248 -1.503 1.00 0.00 N ATOM 698 CA LEU A 48 5.866 -11.138 -1.497 1.00 0.00 C ATOM 699 C LEU A 48 6.395 -11.508 -0.119 1.00 0.00 C ATOM 700 O LEU A 48 7.453 -12.123 0.013 1.00 0.00 O ATOM 701 CB LEU A 48 6.323 -9.721 -1.852 1.00 0.00 C ATOM 702 CG LEU A 48 6.055 -9.278 -3.289 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.565 -7.862 -3.505 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.706 -10.236 -4.274 1.00 0.00 C ATOM 0 H LEU A 48 3.918 -10.358 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 48 6.261 -11.821 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.830 -9.021 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.394 -9.646 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 48 4.979 -9.291 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.368 -7.557 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.055 -7.183 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.638 -7.829 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.504 -9.904 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.783 -10.255 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.299 -11.237 -4.131 1.00 0.00 H new ATOM 716 N GLY A 49 5.640 -11.131 0.902 1.00 0.00 N ATOM 717 CA GLY A 49 6.027 -11.435 2.261 1.00 0.00 C ATOM 718 C GLY A 49 6.245 -10.189 3.089 1.00 0.00 C ATOM 719 O GLY A 49 6.657 -10.272 4.247 1.00 0.00 O ATOM 0 H GLY A 49 4.763 -10.618 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.256 -12.048 2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.942 -12.027 2.252 1.00 0.00 H new ATOM 723 N VAL A 50 5.978 -9.026 2.504 1.00 0.00 N ATOM 724 CA VAL A 50 6.164 -7.765 3.207 1.00 0.00 C ATOM 725 C VAL A 50 4.912 -6.898 3.104 1.00 0.00 C ATOM 726 O VAL A 50 4.730 -6.170 2.131 1.00 0.00 O ATOM 727 CB VAL A 50 7.375 -6.971 2.661 1.00 0.00 C ATOM 728 CG1 VAL A 50 7.606 -5.704 3.477 1.00 0.00 C ATOM 729 CG2 VAL A 50 8.630 -7.835 2.647 1.00 0.00 C ATOM 0 H VAL A 50 5.634 -8.932 1.549 1.00 0.00 H new ATOM 0 HA VAL A 50 6.355 -8.013 4.251 1.00 0.00 H new ATOM 0 HB VAL A 50 7.150 -6.680 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.462 -5.163 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.720 -5.071 3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.801 -5.971 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.467 -7.254 2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.856 -8.165 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.466 -8.705 2.011 1.00 0.00 H new ATOM 739 N PRO A 51 4.015 -6.994 4.092 1.00 0.00 N ATOM 740 CA PRO A 51 2.837 -6.150 4.181 1.00 0.00 C ATOM 741 C PRO A 51 3.097 -4.900 5.023 1.00 0.00 C ATOM 742 O PRO A 51 4.065 -4.846 5.785 1.00 0.00 O ATOM 743 CB PRO A 51 1.808 -7.061 4.867 1.00 0.00 C ATOM 744 CG PRO A 51 2.577 -8.232 5.418 1.00 0.00 C ATOM 745 CD PRO A 51 4.043 -7.956 5.190 1.00 0.00 C ATOM 0 HA PRO A 51 2.513 -5.779 3.209 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.288 -6.529 5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.050 -7.393 4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.371 -8.361 6.481 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.278 -9.155 4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.522 -7.544 6.079 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.590 -8.860 4.924 1.00 0.00 H new ATOM 753 N VAL A 52 2.236 -3.904 4.889 1.00 0.00 N ATOM 754 CA VAL A 52 2.374 -2.674 5.654 1.00 0.00 C ATOM 755 C VAL A 52 1.348 -2.620 6.783 1.00 0.00 C ATOM 756 O VAL A 52 0.188 -2.991 6.598 1.00 0.00 O ATOM 757 CB VAL A 52 2.239 -1.417 4.764 1.00 0.00 C ATOM 758 CG1 VAL A 52 3.400 -1.325 3.787 1.00 0.00 C ATOM 759 CG2 VAL A 52 0.915 -1.413 4.013 1.00 0.00 C ATOM 0 H VAL A 52 1.435 -3.923 4.258 1.00 0.00 H new ATOM 0 HA VAL A 52 3.378 -2.678 6.079 1.00 0.00 H new ATOM 0 HB VAL A 52 2.261 -0.544 5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.286 -0.434 3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.337 -1.266 4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.410 -2.209 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.849 -0.517 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.855 -2.296 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.092 -1.423 4.727 1.00 0.00 H new ATOM 769 N SER A 53 1.791 -2.186 7.952 1.00 0.00 N ATOM 770 CA SER A 53 0.919 -2.066 9.111 1.00 0.00 C ATOM 771 C SER A 53 -0.025 -0.873 8.958 1.00 0.00 C ATOM 772 O SER A 53 0.414 0.243 8.692 1.00 0.00 O ATOM 773 CB SER A 53 1.764 -1.901 10.373 1.00 0.00 C ATOM 774 OG SER A 53 2.792 -2.877 10.425 1.00 0.00 O ATOM 0 H SER A 53 2.757 -1.909 8.125 1.00 0.00 H new ATOM 0 HA SER A 53 0.318 -2.972 9.190 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.203 -0.903 10.394 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.129 -1.988 11.255 1.00 0.00 H new ATOM 0 HG SER A 53 3.321 -2.751 11.240 1.00 0.00 H new ATOM 780 N PRO A 54 -1.338 -1.094 9.122 1.00 0.00 N ATOM 781 CA PRO A 54 -2.344 -0.035 8.977 1.00 0.00 C ATOM 782 C PRO A 54 -2.177 1.078 10.010 1.00 0.00 C ATOM 783 O PRO A 54 -2.512 2.232 9.744 1.00 0.00 O ATOM 784 CB PRO A 54 -3.676 -0.763 9.178 1.00 0.00 C ATOM 785 CG PRO A 54 -3.333 -2.025 9.890 1.00 0.00 C ATOM 786 CD PRO A 54 -1.945 -2.393 9.449 1.00 0.00 C ATOM 0 HA PRO A 54 -2.264 0.464 8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.370 -0.158 9.762 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.159 -0.969 8.223 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.374 -1.886 10.970 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.042 -2.816 9.644 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.395 -2.907 10.238 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.960 -3.058 8.586 1.00 0.00 H new ATOM 794 N GLU A 55 -1.642 0.716 11.174 1.00 0.00 N ATOM 795 CA GLU A 55 -1.417 1.664 12.266 1.00 0.00 C ATOM 796 C GLU A 55 -0.617 2.874 11.786 1.00 0.00 C ATOM 797 O GLU A 55 -1.046 4.022 11.941 1.00 0.00 O ATOM 798 CB GLU A 55 -0.664 0.966 13.409 1.00 0.00 C ATOM 799 CG GLU A 55 -0.474 1.827 14.652 1.00 0.00 C ATOM 800 CD GLU A 55 -1.751 2.012 15.445 1.00 0.00 C ATOM 801 OE1 GLU A 55 -2.512 2.956 15.152 1.00 0.00 O ATOM 802 OE2 GLU A 55 -2.000 1.208 16.371 1.00 0.00 O ATOM 0 H GLU A 55 -1.353 -0.239 11.388 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.386 2.013 12.623 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.206 0.062 13.687 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.315 0.652 13.046 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.281 1.370 15.292 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.092 2.804 14.356 1.00 0.00 H new ATOM 809 N VAL A 56 0.532 2.611 11.169 1.00 0.00 N ATOM 810 CA VAL A 56 1.421 3.666 10.733 1.00 0.00 C ATOM 811 C VAL A 56 0.828 4.453 9.565 1.00 0.00 C ATOM 812 O VAL A 56 1.145 5.625 9.381 1.00 0.00 O ATOM 813 CB VAL A 56 2.805 3.105 10.343 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.441 2.381 11.520 1.00 0.00 C ATOM 815 CG2 VAL A 56 2.713 2.181 9.137 1.00 0.00 C ATOM 0 H VAL A 56 0.864 1.669 10.962 1.00 0.00 H new ATOM 0 HA VAL A 56 1.546 4.346 11.576 1.00 0.00 H new ATOM 0 HB VAL A 56 3.437 3.949 10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.416 1.993 11.225 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.563 3.075 12.351 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.800 1.555 11.829 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.706 1.805 8.890 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.055 1.344 9.369 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.312 2.732 8.286 1.00 0.00 H new ATOM 825 N VAL A 57 -0.049 3.815 8.791 1.00 0.00 N ATOM 826 CA VAL A 57 -0.687 4.480 7.659 1.00 0.00 C ATOM 827 C VAL A 57 -1.657 5.544 8.158 1.00 0.00 C ATOM 828 O VAL A 57 -1.721 6.643 7.610 1.00 0.00 O ATOM 829 CB VAL A 57 -1.443 3.486 6.748 1.00 0.00 C ATOM 830 CG1 VAL A 57 -2.005 4.192 5.521 1.00 0.00 C ATOM 831 CG2 VAL A 57 -0.537 2.337 6.335 1.00 0.00 C ATOM 0 H VAL A 57 -0.332 2.844 8.927 1.00 0.00 H new ATOM 0 HA VAL A 57 0.105 4.940 7.068 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.278 3.077 7.317 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.532 3.471 4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.696 4.974 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.189 4.637 4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.090 1.650 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.322 2.729 5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.193 1.807 7.223 1.00 0.00 H new ATOM 841 N VAL A 58 -2.395 5.211 9.215 1.00 0.00 N ATOM 842 CA VAL A 58 -3.326 6.152 9.826 1.00 0.00 C ATOM 843 C VAL A 58 -2.581 7.390 10.309 1.00 0.00 C ATOM 844 O VAL A 58 -2.913 8.514 9.934 1.00 0.00 O ATOM 845 CB VAL A 58 -4.082 5.521 11.020 1.00 0.00 C ATOM 846 CG1 VAL A 58 -5.044 6.523 11.640 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.823 4.266 10.590 1.00 0.00 C ATOM 0 H VAL A 58 -2.365 4.296 9.665 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.054 6.426 9.063 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.346 5.241 11.774 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.564 6.058 12.477 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.487 7.390 11.995 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.771 6.840 10.892 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.346 3.841 11.446 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.544 4.518 9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.111 3.538 10.202 1.00 0.00 H new ATOM 857 N ALA A 59 -1.558 7.169 11.122 1.00 0.00 N ATOM 858 CA ALA A 59 -0.767 8.261 11.667 1.00 0.00 C ATOM 859 C ALA A 59 -0.112 9.078 10.559 1.00 0.00 C ATOM 860 O ALA A 59 -0.187 10.305 10.563 1.00 0.00 O ATOM 861 CB ALA A 59 0.285 7.722 12.619 1.00 0.00 C ATOM 0 H ALA A 59 -1.256 6.241 11.419 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.438 8.922 12.217 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.871 8.549 13.020 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.202 7.192 13.437 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.943 7.037 12.084 1.00 0.00 H new ATOM 867 N ARG A 60 0.509 8.391 9.605 1.00 0.00 N ATOM 868 CA ARG A 60 1.198 9.046 8.500 1.00 0.00 C ATOM 869 C ARG A 60 0.228 9.838 7.624 1.00 0.00 C ATOM 870 O ARG A 60 0.516 10.974 7.248 1.00 0.00 O ATOM 871 CB ARG A 60 1.953 8.005 7.664 1.00 0.00 C ATOM 872 CG ARG A 60 2.511 8.530 6.349 1.00 0.00 C ATOM 873 CD ARG A 60 3.427 9.730 6.541 1.00 0.00 C ATOM 874 NE ARG A 60 4.554 9.457 7.430 1.00 0.00 N ATOM 875 CZ ARG A 60 5.823 9.738 7.126 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.130 10.238 5.936 1.00 0.00 N ATOM 877 NH2 ARG A 60 6.782 9.516 8.017 1.00 0.00 N ATOM 0 H ARG A 60 0.549 7.372 9.576 1.00 0.00 H new ATOM 0 HA ARG A 60 1.913 9.755 8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.775 7.608 8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.282 7.173 7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.061 7.734 5.848 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.686 8.808 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.807 10.048 5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.847 10.561 6.944 1.00 0.00 H new ATOM 0 HE ARG A 60 4.360 9.027 8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.395 10.409 5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.101 10.451 5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.549 9.131 8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.752 9.730 7.786 1.00 0.00 H new ATOM 891 N GLY A 61 -0.915 9.241 7.314 1.00 0.00 N ATOM 892 CA GLY A 61 -1.897 9.902 6.478 1.00 0.00 C ATOM 893 C GLY A 61 -2.370 11.209 7.076 1.00 0.00 C ATOM 894 O GLY A 61 -2.401 12.240 6.398 1.00 0.00 O ATOM 0 H GLY A 61 -1.180 8.307 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.467 10.089 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.751 9.241 6.332 1.00 0.00 H new ATOM 898 N GLU A 62 -2.710 11.170 8.354 1.00 0.00 N ATOM 899 CA GLU A 62 -3.196 12.352 9.049 1.00 0.00 C ATOM 900 C GLU A 62 -2.058 13.344 9.295 1.00 0.00 C ATOM 901 O GLU A 62 -2.289 14.543 9.447 1.00 0.00 O ATOM 902 CB GLU A 62 -3.849 11.945 10.372 1.00 0.00 C ATOM 903 CG GLU A 62 -4.959 10.911 10.216 1.00 0.00 C ATOM 904 CD GLU A 62 -6.105 11.385 9.342 1.00 0.00 C ATOM 905 OE1 GLU A 62 -5.939 11.426 8.104 1.00 0.00 O ATOM 906 OE2 GLU A 62 -7.178 11.710 9.893 1.00 0.00 O ATOM 0 H GLU A 62 -2.658 10.331 8.932 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.941 12.843 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.083 11.545 11.037 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.257 12.833 10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.539 10.000 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.346 10.653 11.202 1.00 0.00 H new ATOM 913 N GLN A 63 -0.827 12.839 9.316 1.00 0.00 N ATOM 914 CA GLN A 63 0.345 13.677 9.558 1.00 0.00 C ATOM 915 C GLN A 63 0.756 14.420 8.290 1.00 0.00 C ATOM 916 O GLN A 63 1.027 15.620 8.325 1.00 0.00 O ATOM 917 CB GLN A 63 1.502 12.818 10.094 1.00 0.00 C ATOM 918 CG GLN A 63 2.708 13.610 10.592 1.00 0.00 C ATOM 919 CD GLN A 63 3.649 14.046 9.485 1.00 0.00 C ATOM 920 OE1 GLN A 63 4.300 15.086 9.579 1.00 0.00 O ATOM 921 NE2 GLN A 63 3.747 13.241 8.438 1.00 0.00 N ATOM 0 H GLN A 63 -0.615 11.852 9.168 1.00 0.00 H new ATOM 0 HA GLN A 63 0.090 14.425 10.309 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.129 12.199 10.910 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.830 12.141 9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.357 14.492 11.127 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.261 13.002 11.308 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.190 12.387 8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.379 13.475 7.672 1.00 0.00 H new ATOM 930 N GLU A 64 0.787 13.709 7.170 1.00 0.00 N ATOM 931 CA GLU A 64 1.163 14.308 5.894 1.00 0.00 C ATOM 932 C GLU A 64 0.029 15.163 5.349 1.00 0.00 C ATOM 933 O GLU A 64 0.233 15.994 4.463 1.00 0.00 O ATOM 934 CB GLU A 64 1.554 13.229 4.881 1.00 0.00 C ATOM 935 CG GLU A 64 2.936 12.652 5.109 1.00 0.00 C ATOM 936 CD GLU A 64 4.033 13.690 4.986 1.00 0.00 C ATOM 937 OE1 GLU A 64 4.347 14.095 3.848 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.586 14.104 6.024 1.00 0.00 O ATOM 0 H GLU A 64 0.556 12.717 7.118 1.00 0.00 H new ATOM 0 HA GLU A 64 2.029 14.949 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.822 12.422 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.507 13.651 3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.978 12.202 6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.115 11.854 4.389 1.00 0.00 H new ATOM 945 N GLY A 65 -1.167 14.952 5.884 1.00 0.00 N ATOM 946 CA GLY A 65 -2.305 15.753 5.493 1.00 0.00 C ATOM 947 C GLY A 65 -2.987 15.209 4.259 1.00 0.00 C ATOM 948 O GLY A 65 -3.249 15.952 3.311 1.00 0.00 O ATOM 0 H GLY A 65 -1.367 14.237 6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.020 15.791 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.980 16.776 5.305 1.00 0.00 H new ATOM 952 N TRP A 66 -3.254 13.911 4.258 1.00 0.00 N ATOM 953 CA TRP A 66 -3.955 13.286 3.150 1.00 0.00 C ATOM 954 C TRP A 66 -5.415 13.726 3.149 1.00 0.00 C ATOM 955 O TRP A 66 -5.787 14.649 2.417 1.00 0.00 O ATOM 956 CB TRP A 66 -3.846 11.755 3.227 1.00 0.00 C ATOM 957 CG TRP A 66 -2.451 11.232 3.023 1.00 0.00 C ATOM 958 CD1 TRP A 66 -1.340 11.959 2.697 1.00 0.00 C ATOM 959 CD2 TRP A 66 -2.018 9.865 3.119 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.248 11.134 2.591 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.636 9.845 2.844 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.661 8.653 3.415 1.00 0.00 C ATOM 963 CZ2 TRP A 66 0.110 8.671 2.853 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -1.915 7.486 3.424 1.00 0.00 C ATOM 965 CH2 TRP A 66 -0.542 7.504 3.144 1.00 0.00 C ATOM 0 H TRP A 66 -2.996 13.273 5.011 1.00 0.00 H new ATOM 0 HA TRP A 66 -3.491 13.605 2.217 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -4.209 11.423 4.200 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.502 11.316 2.475 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.324 13.028 2.545 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.700 11.433 2.361 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.719 8.631 3.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.168 8.680 2.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.399 6.547 3.650 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.013 6.578 3.158 1.00 0.00 H new ATOM 976 N ASN A 67 -6.218 13.076 3.993 1.00 0.00 N ATOM 977 CA ASN A 67 -7.634 13.407 4.189 1.00 0.00 C ATOM 978 C ASN A 67 -8.302 12.265 4.944 1.00 0.00 C ATOM 979 O ASN A 67 -8.116 11.109 4.577 1.00 0.00 O ATOM 980 CB ASN A 67 -8.356 13.629 2.850 1.00 0.00 C ATOM 981 CG ASN A 67 -9.771 14.159 3.017 1.00 0.00 C ATOM 982 OD1 ASN A 67 -10.077 14.870 3.972 1.00 0.00 O ATOM 983 ND2 ASN A 67 -10.635 13.838 2.075 1.00 0.00 N ATOM 0 H ASN A 67 -5.901 12.295 4.568 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.698 14.335 4.757 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.781 14.330 2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.389 12.688 2.301 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.594 14.182 2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.345 13.246 1.297 1.00 0.00 H new ATOM 990 N PRO A 68 -9.055 12.568 6.019 1.00 0.00 N ATOM 991 CA PRO A 68 -9.784 11.573 6.816 1.00 0.00 C ATOM 992 C PRO A 68 -10.369 10.412 6.000 1.00 0.00 C ATOM 993 O PRO A 68 -10.183 9.251 6.357 1.00 0.00 O ATOM 994 CB PRO A 68 -10.894 12.410 7.439 1.00 0.00 C ATOM 995 CG PRO A 68 -10.268 13.743 7.665 1.00 0.00 C ATOM 996 CD PRO A 68 -9.222 13.921 6.590 1.00 0.00 C ATOM 0 HA PRO A 68 -9.129 11.070 7.527 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.757 12.483 6.777 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.246 11.972 8.373 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.015 14.535 7.613 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.817 13.795 8.656 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.546 14.635 5.833 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.286 14.297 7.003 1.00 0.00 H new ATOM 1004 N GLU A 69 -11.053 10.718 4.899 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.675 9.678 4.085 1.00 0.00 C ATOM 1006 C GLU A 69 -10.627 8.842 3.364 1.00 0.00 C ATOM 1007 O GLU A 69 -10.758 7.624 3.245 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.637 10.294 3.072 1.00 0.00 C ATOM 1009 CG GLU A 69 -14.000 10.622 3.652 1.00 0.00 C ATOM 1010 CD GLU A 69 -14.717 9.387 4.153 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -15.313 8.664 3.329 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -14.676 9.123 5.372 1.00 0.00 O ATOM 0 H GLU A 69 -11.189 11.668 4.553 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.234 9.024 4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.194 11.205 2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.763 9.605 2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.884 11.331 4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.609 11.111 2.892 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.579 9.505 2.902 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.519 8.847 2.164 1.00 0.00 C ATOM 1021 C PHE A 70 -7.728 7.938 3.099 1.00 0.00 C ATOM 1022 O PHE A 70 -7.568 6.748 2.834 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.607 9.895 1.522 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.565 9.324 0.606 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -6.902 8.891 -0.667 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.248 9.228 1.013 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -5.946 8.370 -1.512 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.285 8.707 0.173 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.635 8.278 -1.092 1.00 0.00 C ATOM 0 H PHE A 70 -9.442 10.508 3.028 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.951 8.235 1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.221 10.600 0.961 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.111 10.461 2.311 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.927 8.963 -1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.969 9.565 2.000 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.222 8.035 -2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.260 8.635 0.504 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.883 7.871 -1.752 1.00 0.00 H new ATOM 1039 N THR A 71 -7.276 8.506 4.211 1.00 0.00 N ATOM 1040 CA THR A 71 -6.499 7.770 5.196 1.00 0.00 C ATOM 1041 C THR A 71 -7.288 6.578 5.745 1.00 0.00 C ATOM 1042 O THR A 71 -6.773 5.461 5.823 1.00 0.00 O ATOM 1043 CB THR A 71 -6.103 8.687 6.369 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.608 9.939 5.876 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.041 8.028 7.239 1.00 0.00 C ATOM 0 H THR A 71 -7.437 9.484 4.453 1.00 0.00 H new ATOM 0 HA THR A 71 -5.602 7.405 4.695 1.00 0.00 H new ATOM 0 HB THR A 71 -6.993 8.862 6.974 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.557 10.583 6.613 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.778 8.695 8.060 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.430 7.092 7.641 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.154 7.824 6.639 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.545 6.831 6.107 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.398 5.825 6.735 1.00 0.00 C ATOM 1055 C LYS A 72 -9.534 4.579 5.868 1.00 0.00 C ATOM 1056 O LYS A 72 -9.254 3.468 6.318 1.00 0.00 O ATOM 1057 CB LYS A 72 -10.787 6.408 7.006 1.00 0.00 C ATOM 1058 CG LYS A 72 -11.700 5.482 7.794 1.00 0.00 C ATOM 1059 CD LYS A 72 -13.078 6.096 8.008 1.00 0.00 C ATOM 1060 CE LYS A 72 -12.992 7.440 8.718 1.00 0.00 C ATOM 1061 NZ LYS A 72 -12.327 7.340 10.045 1.00 0.00 N ATOM 0 H LYS A 72 -8.998 7.735 5.974 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.926 5.537 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.677 7.345 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.262 6.647 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.802 4.535 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.247 5.260 8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.573 6.224 7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.693 5.414 8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.443 8.144 8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.996 7.844 8.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.413 8.248 10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.782 6.591 10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.321 7.111 9.913 1.00 0.00 H new ATOM 1075 N LYS A 73 -9.955 4.771 4.624 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.247 3.654 3.745 1.00 0.00 C ATOM 1077 C LYS A 73 -9.000 2.830 3.455 1.00 0.00 C ATOM 1078 O LYS A 73 -9.024 1.607 3.572 1.00 0.00 O ATOM 1079 CB LYS A 73 -10.867 4.155 2.445 1.00 0.00 C ATOM 1080 CG LYS A 73 -12.112 4.996 2.659 1.00 0.00 C ATOM 1081 CD LYS A 73 -12.828 5.283 1.351 1.00 0.00 C ATOM 1082 CE LYS A 73 -13.840 6.407 1.506 1.00 0.00 C ATOM 1083 NZ LYS A 73 -14.738 6.212 2.679 1.00 0.00 N ATOM 0 H LYS A 73 -10.101 5.689 4.205 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.961 3.006 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.128 4.744 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.118 3.300 1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.789 4.478 3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.838 5.936 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.099 5.551 0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.334 4.381 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.312 7.355 1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.442 6.476 0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.363 7.037 2.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.313 5.357 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.165 6.105 3.541 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.908 3.502 3.105 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.669 2.808 2.768 1.00 0.00 C ATOM 1099 C VAL A 74 -6.160 1.992 3.956 1.00 0.00 C ATOM 1100 O VAL A 74 -5.684 0.865 3.792 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.570 3.795 2.307 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -4.279 3.059 1.972 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -6.042 4.600 1.106 1.00 0.00 C ATOM 0 H VAL A 74 -7.855 4.519 3.047 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.895 2.134 1.942 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.370 4.480 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.524 3.777 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.923 2.528 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.465 2.345 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.255 5.288 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.276 3.924 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.934 5.166 1.375 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.282 2.558 5.155 1.00 0.00 N ATOM 1114 CA ALA A 75 -5.872 1.871 6.371 1.00 0.00 C ATOM 1115 C ALA A 75 -6.714 0.620 6.591 1.00 0.00 C ATOM 1116 O ALA A 75 -6.203 -0.417 7.011 1.00 0.00 O ATOM 1117 CB ALA A 75 -5.974 2.800 7.568 1.00 0.00 C ATOM 0 H ALA A 75 -6.662 3.492 5.307 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.831 1.568 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.664 2.269 8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.327 3.664 7.415 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.005 3.135 7.682 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.004 0.726 6.288 1.00 0.00 N ATOM 1124 CA GLY A 76 -8.895 -0.410 6.420 1.00 0.00 C ATOM 1125 C GLY A 76 -8.527 -1.537 5.480 1.00 0.00 C ATOM 1126 O GLY A 76 -8.609 -2.713 5.843 1.00 0.00 O ATOM 0 H GLY A 76 -8.448 1.581 5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.869 -0.773 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.918 -0.092 6.220 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.114 -1.179 4.270 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.680 -2.168 3.293 1.00 0.00 C ATOM 1132 C TRP A 77 -6.418 -2.860 3.790 1.00 0.00 C ATOM 1133 O TRP A 77 -6.345 -4.088 3.824 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.413 -1.518 1.925 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.542 -0.669 1.420 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.863 -0.772 1.751 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -8.450 0.409 0.476 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -10.589 0.195 1.098 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -9.748 0.926 0.303 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -7.395 0.990 -0.232 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -10.019 1.998 -0.546 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -7.666 2.050 -1.077 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -8.967 2.546 -1.227 1.00 0.00 C ATOM 0 H TRP A 77 -8.071 -0.214 3.943 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.478 -2.901 3.171 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.515 -0.905 1.995 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.208 -2.302 1.196 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.276 -1.506 2.427 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.594 0.344 1.191 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.387 0.618 -0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.022 2.381 -0.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.859 2.504 -1.632 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.143 3.377 -1.893 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.441 -2.059 4.203 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.176 -2.583 4.710 1.00 0.00 C ATOM 1156 C ALA A 78 -4.398 -3.505 5.906 1.00 0.00 C ATOM 1157 O ALA A 78 -3.727 -4.524 6.046 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.244 -1.442 5.088 1.00 0.00 C ATOM 0 H ALA A 78 -5.501 -1.041 4.197 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.713 -3.169 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.305 -1.848 5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.047 -0.827 4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.711 -0.832 5.861 1.00 0.00 H new ATOM 1164 N GLU A 79 -5.354 -3.139 6.754 1.00 0.00 N ATOM 1165 CA GLU A 79 -5.703 -3.940 7.919 1.00 0.00 C ATOM 1166 C GLU A 79 -6.093 -5.357 7.508 1.00 0.00 C ATOM 1167 O GLU A 79 -5.552 -6.337 8.025 1.00 0.00 O ATOM 1168 CB GLU A 79 -6.857 -3.278 8.680 1.00 0.00 C ATOM 1169 CG GLU A 79 -7.285 -4.027 9.929 1.00 0.00 C ATOM 1170 CD GLU A 79 -6.196 -4.077 10.979 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -5.334 -4.975 10.908 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -6.196 -3.217 11.884 1.00 0.00 O ATOM 0 H GLU A 79 -5.904 -2.286 6.653 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.830 -4.001 8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.561 -2.267 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.714 -3.187 8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.169 -3.548 10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.571 -5.043 9.659 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.015 -5.463 6.562 1.00 0.00 N ATOM 1180 CA LYS A 80 -7.507 -6.764 6.125 1.00 0.00 C ATOM 1181 C LYS A 80 -6.444 -7.529 5.343 1.00 0.00 C ATOM 1182 O LYS A 80 -6.424 -8.762 5.347 1.00 0.00 O ATOM 1183 CB LYS A 80 -8.759 -6.607 5.274 1.00 0.00 C ATOM 1184 CG LYS A 80 -9.940 -6.022 6.022 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.212 -6.142 5.204 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.434 -5.719 5.998 1.00 0.00 C ATOM 1187 NZ LYS A 80 -13.696 -6.050 5.287 1.00 0.00 N ATOM 0 H LYS A 80 -7.437 -4.667 6.083 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.752 -7.336 7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.529 -5.968 4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.040 -7.582 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.065 -6.538 6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.748 -4.974 6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.128 -5.525 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.334 -7.173 4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.424 -6.212 6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.393 -4.646 6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.508 -5.746 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.717 -5.559 4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.748 -7.077 5.131 1.00 0.00 H new ATOM 1201 N VAL A 81 -5.569 -6.798 4.669 1.00 0.00 N ATOM 1202 CA VAL A 81 -4.487 -7.413 3.912 1.00 0.00 C ATOM 1203 C VAL A 81 -3.430 -7.985 4.852 1.00 0.00 C ATOM 1204 O VAL A 81 -2.944 -9.100 4.651 1.00 0.00 O ATOM 1205 CB VAL A 81 -3.830 -6.412 2.932 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -2.615 -7.026 2.249 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -4.839 -5.941 1.894 1.00 0.00 C ATOM 0 H VAL A 81 -5.586 -5.779 4.630 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.924 -8.222 3.327 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.493 -5.551 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.175 -6.299 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.879 -7.309 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.920 -7.910 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.359 -5.238 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.208 -6.798 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.674 -5.450 2.394 1.00 0.00 H new ATOM 1217 N ALA A 82 -3.090 -7.225 5.886 1.00 0.00 N ATOM 1218 CA ALA A 82 -2.086 -7.658 6.847 1.00 0.00 C ATOM 1219 C ALA A 82 -2.593 -8.832 7.677 1.00 0.00 C ATOM 1220 O ALA A 82 -1.872 -9.808 7.894 1.00 0.00 O ATOM 1221 CB ALA A 82 -1.683 -6.504 7.751 1.00 0.00 C ATOM 0 H ALA A 82 -3.494 -6.309 6.079 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.209 -7.990 6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.932 -6.845 8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.270 -5.696 7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.558 -6.143 8.291 1.00 0.00 H new ATOM 1227 N SER A 83 -3.837 -8.742 8.127 1.00 0.00 N ATOM 1228 CA SER A 83 -4.436 -9.802 8.928 1.00 0.00 C ATOM 1229 C SER A 83 -4.697 -11.048 8.081 1.00 0.00 C ATOM 1230 O SER A 83 -4.643 -12.175 8.575 1.00 0.00 O ATOM 1231 CB SER A 83 -5.736 -9.308 9.566 1.00 0.00 C ATOM 1232 OG SER A 83 -6.588 -8.728 8.593 1.00 0.00 O ATOM 0 H SER A 83 -4.451 -7.947 7.951 1.00 0.00 H new ATOM 0 HA SER A 83 -3.735 -10.073 9.718 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.246 -10.139 10.053 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.510 -8.575 10.341 1.00 0.00 H new ATOM 0 HG SER A 83 -6.433 -7.761 8.557 1.00 0.00 H new ATOM 1238 N GLY A 84 -4.974 -10.836 6.803 1.00 0.00 N ATOM 1239 CA GLY A 84 -5.219 -11.940 5.905 1.00 0.00 C ATOM 1240 C GLY A 84 -6.689 -12.291 5.826 1.00 0.00 C ATOM 1241 O GLY A 84 -7.049 -13.431 5.538 1.00 0.00 O ATOM 0 H GLY A 84 -5.033 -9.913 6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.853 -11.686 4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.656 -12.811 6.239 1.00 0.00 H new ATOM 1245 N ASN A 85 -7.545 -11.306 6.084 1.00 0.00 N ATOM 1246 CA ASN A 85 -8.990 -11.515 6.019 1.00 0.00 C ATOM 1247 C ASN A 85 -9.520 -11.100 4.667 1.00 0.00 C ATOM 1248 O ASN A 85 -10.715 -11.181 4.385 1.00 0.00 O ATOM 1249 CB ASN A 85 -9.712 -10.740 7.121 1.00 0.00 C ATOM 1250 CG ASN A 85 -9.284 -11.152 8.518 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -8.913 -12.303 8.756 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -9.339 -10.218 9.456 1.00 0.00 N ATOM 0 H ASN A 85 -7.266 -10.359 6.339 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.180 -12.578 6.168 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.525 -9.674 6.990 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.787 -10.890 7.018 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.069 -10.441 10.414 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.652 -9.276 9.220 1.00 0.00 H new ATOM 1259 N ARG A 86 -8.584 -10.668 3.851 1.00 0.00 N ATOM 1260 CA ARG A 86 -8.828 -10.265 2.464 1.00 0.00 C ATOM 1261 C ARG A 86 -9.734 -9.035 2.365 1.00 0.00 C ATOM 1262 O ARG A 86 -10.504 -8.722 3.271 1.00 0.00 O ATOM 1263 CB ARG A 86 -9.411 -11.437 1.670 1.00 0.00 C ATOM 1264 CG ARG A 86 -8.611 -12.717 1.855 1.00 0.00 C ATOM 1265 CD ARG A 86 -9.117 -13.845 0.972 1.00 0.00 C ATOM 1266 NE ARG A 86 -10.495 -14.218 1.277 1.00 0.00 N ATOM 1267 CZ ARG A 86 -10.838 -15.310 1.960 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -9.904 -16.122 2.441 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -12.116 -15.594 2.144 1.00 0.00 N ATOM 0 H ARG A 86 -7.607 -10.581 4.130 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.868 -9.983 2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.441 -11.607 1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.437 -11.178 0.612 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.562 -12.524 1.629 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.660 -13.026 2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.049 -13.543 -0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.473 -14.715 1.095 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.241 -13.605 0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.918 -15.912 2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.173 -16.956 2.963 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.835 -14.978 1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.383 -16.429 2.666 1.00 0.00 H new ATOM 1283 N ILE A 87 -9.623 -8.327 1.248 1.00 0.00 N ATOM 1284 CA ILE A 87 -10.397 -7.111 1.030 1.00 0.00 C ATOM 1285 C ILE A 87 -11.299 -7.245 -0.179 1.00 0.00 C ATOM 1286 O ILE A 87 -11.814 -6.247 -0.692 1.00 0.00 O ATOM 1287 CB ILE A 87 -9.488 -5.877 0.823 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -8.463 -6.148 -0.286 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -8.793 -5.503 2.119 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -7.543 -4.977 -0.567 1.00 0.00 C ATOM 0 H ILE A 87 -9.003 -8.575 0.477 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.997 -6.968 1.928 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.110 -5.036 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.861 -7.013 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.993 -6.410 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.158 -4.633 1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.540 -5.268 2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.181 -6.339 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.847 -5.244 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.135 -4.116 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.985 -4.728 0.336 1.00 0.00 H new ATOM 1302 N LEU A 88 -11.518 -8.486 -0.595 1.00 0.00 N ATOM 1303 CA LEU A 88 -12.217 -8.774 -1.837 1.00 0.00 C ATOM 1304 C LEU A 88 -11.664 -7.897 -2.964 1.00 0.00 C ATOM 1305 O LEU A 88 -10.479 -7.536 -2.949 1.00 0.00 O ATOM 1306 CB LEU A 88 -13.701 -8.526 -1.612 1.00 0.00 C ATOM 1307 CG LEU A 88 -14.410 -9.559 -0.732 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -15.865 -9.177 -0.531 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -14.306 -10.945 -1.344 1.00 0.00 C ATOM 0 H LEU A 88 -11.217 -9.315 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.068 -9.812 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.824 -7.542 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.199 -8.496 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.918 -9.575 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.353 -9.922 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.922 -8.202 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.366 -9.132 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.816 -11.665 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.771 -10.943 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.256 -11.223 -1.438 1.00 0.00 H new ATOM 1321 N ILE A 89 -12.487 -7.582 -3.953 1.00 0.00 N ATOM 1322 CA ILE A 89 -12.136 -6.567 -4.929 1.00 0.00 C ATOM 1323 C ILE A 89 -13.331 -6.242 -5.816 1.00 0.00 C ATOM 1324 O ILE A 89 -14.043 -7.130 -6.288 1.00 0.00 O ATOM 1325 CB ILE A 89 -10.902 -6.984 -5.781 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -10.021 -5.763 -6.065 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -11.310 -7.654 -7.089 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -8.714 -6.106 -6.751 1.00 0.00 C ATOM 0 H ILE A 89 -13.399 -8.014 -4.099 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.857 -5.666 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 89 -10.336 -7.714 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.576 -5.062 -6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.806 -5.254 -5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -10.417 -7.928 -7.651 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.892 -8.550 -6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.913 -6.963 -7.679 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.142 -5.194 -6.921 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.139 -6.783 -6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.920 -6.588 -7.707 1.00 0.00 H new ATOM 1340 N LYS A 90 -13.577 -4.959 -5.986 1.00 0.00 N ATOM 1341 CA LYS A 90 -14.657 -4.500 -6.837 1.00 0.00 C ATOM 1342 C LYS A 90 -14.122 -4.195 -8.225 1.00 0.00 C ATOM 1343 O LYS A 90 -14.869 -4.140 -9.202 1.00 0.00 O ATOM 1344 CB LYS A 90 -15.302 -3.262 -6.225 1.00 0.00 C ATOM 1345 CG LYS A 90 -15.897 -3.521 -4.850 1.00 0.00 C ATOM 1346 CD LYS A 90 -16.373 -2.240 -4.189 1.00 0.00 C ATOM 1347 CE LYS A 90 -17.430 -1.530 -5.027 1.00 0.00 C ATOM 1348 NZ LYS A 90 -18.629 -2.378 -5.261 1.00 0.00 N ATOM 0 H LYS A 90 -13.041 -4.212 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 90 -15.413 -5.281 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.557 -2.470 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -16.085 -2.900 -6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -16.733 -4.215 -4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -15.151 -4.001 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.783 -2.469 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.524 -1.574 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -17.731 -0.610 -4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.998 -1.243 -5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -19.378 -1.806 -5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.379 -3.166 -5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -18.969 -2.756 -4.354 1.00 0.00 H new ATOM 1362 N ASN A 91 -12.817 -4.016 -8.301 1.00 0.00 N ATOM 1363 CA ASN A 91 -12.147 -3.747 -9.559 1.00 0.00 C ATOM 1364 C ASN A 91 -11.074 -4.797 -9.783 1.00 0.00 C ATOM 1365 O ASN A 91 -10.017 -4.738 -9.166 1.00 0.00 O ATOM 1366 CB ASN A 91 -11.522 -2.349 -9.556 1.00 0.00 C ATOM 1367 CG ASN A 91 -12.539 -1.255 -9.304 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -13.174 -0.754 -10.230 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -12.695 -0.863 -8.050 1.00 0.00 N ATOM 0 H ASN A 91 -12.193 -4.053 -7.495 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.878 -3.787 -10.367 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.748 -2.303 -8.790 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.033 -2.172 -10.514 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.359 -0.122 -7.826 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.151 -1.302 -7.307 1.00 0.00 H new ATOM 1376 N PRO A 92 -11.340 -5.787 -10.648 1.00 0.00 N ATOM 1377 CA PRO A 92 -10.423 -6.913 -10.859 1.00 0.00 C ATOM 1378 C PRO A 92 -9.090 -6.486 -11.469 1.00 0.00 C ATOM 1379 O PRO A 92 -8.068 -7.144 -11.274 1.00 0.00 O ATOM 1380 CB PRO A 92 -11.186 -7.824 -11.822 1.00 0.00 C ATOM 1381 CG PRO A 92 -12.167 -6.928 -12.504 1.00 0.00 C ATOM 1382 CD PRO A 92 -12.545 -5.886 -11.491 1.00 0.00 C ATOM 0 HA PRO A 92 -10.156 -7.393 -9.917 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.513 -8.292 -12.540 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.691 -8.629 -11.288 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.727 -6.470 -13.390 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -13.042 -7.487 -12.835 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -12.786 -4.934 -11.963 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -13.419 -6.185 -10.912 1.00 0.00 H new ATOM 1390 N GLU A 93 -9.107 -5.386 -12.203 1.00 0.00 N ATOM 1391 CA GLU A 93 -7.903 -4.874 -12.833 1.00 0.00 C ATOM 1392 C GLU A 93 -7.066 -4.100 -11.824 1.00 0.00 C ATOM 1393 O GLU A 93 -7.504 -3.082 -11.287 1.00 0.00 O ATOM 1394 CB GLU A 93 -8.266 -3.983 -14.020 1.00 0.00 C ATOM 1395 CG GLU A 93 -9.043 -4.712 -15.103 1.00 0.00 C ATOM 1396 CD GLU A 93 -8.274 -5.880 -15.687 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -7.443 -5.657 -16.592 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -8.489 -7.023 -15.245 1.00 0.00 O ATOM 0 H GLU A 93 -9.944 -4.830 -12.377 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.314 -5.716 -13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.857 -3.139 -13.664 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.352 -3.574 -14.451 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.985 -5.073 -14.689 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.293 -4.011 -15.900 1.00 0.00 H new ATOM 1405 N TYR A 94 -5.857 -4.584 -11.582 1.00 0.00 N ATOM 1406 CA TYR A 94 -4.992 -4.012 -10.565 1.00 0.00 C ATOM 1407 C TYR A 94 -4.317 -2.749 -11.095 1.00 0.00 C ATOM 1408 O TYR A 94 -4.735 -1.629 -10.793 1.00 0.00 O ATOM 1409 CB TYR A 94 -3.923 -5.024 -10.130 1.00 0.00 C ATOM 1410 CG TYR A 94 -4.428 -6.440 -9.964 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -4.955 -6.879 -8.758 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -4.359 -7.343 -11.017 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -5.406 -8.177 -8.611 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -4.804 -8.640 -10.876 1.00 0.00 C ATOM 1415 CZ TYR A 94 -5.329 -9.053 -9.673 1.00 0.00 C ATOM 1416 OH TYR A 94 -5.767 -10.351 -9.531 1.00 0.00 O ATOM 0 H TYR A 94 -5.452 -5.377 -12.080 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.606 -3.756 -9.701 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.119 -5.023 -10.866 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.491 -4.693 -9.186 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.014 -6.197 -7.923 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.949 -7.023 -11.964 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.817 -8.504 -7.668 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.741 -9.329 -11.706 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.642 -10.833 -10.375 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.289 -2.942 -11.916 1.00 0.00 N ATOM 1427 CA PHE A 95 -2.493 -1.841 -12.434 1.00 0.00 C ATOM 1428 C PHE A 95 -1.496 -2.342 -13.474 1.00 0.00 C ATOM 1429 O PHE A 95 -1.307 -3.550 -13.630 1.00 0.00 O ATOM 1430 CB PHE A 95 -1.753 -1.119 -11.294 1.00 0.00 C ATOM 1431 CG PHE A 95 -0.869 -2.011 -10.454 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -1.381 -2.698 -9.363 1.00 0.00 C ATOM 1433 CD2 PHE A 95 0.478 -2.160 -10.753 1.00 0.00 C ATOM 1434 CE1 PHE A 95 -0.570 -3.515 -8.596 1.00 0.00 C ATOM 1435 CE2 PHE A 95 1.291 -2.974 -9.987 1.00 0.00 C ATOM 1436 CZ PHE A 95 0.766 -3.652 -8.909 1.00 0.00 C ATOM 0 H PHE A 95 -2.988 -3.862 -12.238 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.169 -1.131 -12.912 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.143 -0.323 -11.721 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.488 -0.643 -10.645 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.426 -2.594 -9.109 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.897 -1.632 -11.597 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.983 -4.046 -7.751 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.337 -3.078 -10.234 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.399 -4.290 -8.310 1.00 0.00 H new ATOM 1446 N SER A 96 -0.880 -1.402 -14.181 1.00 0.00 N ATOM 1447 CA SER A 96 0.151 -1.705 -15.169 1.00 0.00 C ATOM 1448 C SER A 96 1.267 -2.521 -14.575 1.00 0.00 C ATOM 1449 O SER A 96 1.720 -2.300 -13.449 1.00 0.00 O ATOM 1450 CB SER A 96 0.705 -0.410 -15.775 1.00 0.00 C ATOM 1451 OG SER A 96 1.763 -0.678 -16.680 1.00 0.00 O ATOM 0 H SER A 96 -1.081 -0.406 -14.086 1.00 0.00 H new ATOM 0 HA SER A 96 -0.311 -2.299 -15.957 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.093 0.123 -16.292 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.061 0.244 -14.979 1.00 0.00 H new ATOM 0 HG SER A 96 2.096 0.165 -17.053 1.00 0.00 H new ATOM 1457 N THR A 97 1.706 -3.460 -15.379 1.00 0.00 N ATOM 1458 CA THR A 97 2.746 -4.378 -15.024 1.00 0.00 C ATOM 1459 C THR A 97 4.041 -3.649 -14.646 1.00 0.00 C ATOM 1460 O THR A 97 4.890 -4.191 -13.936 1.00 0.00 O ATOM 1461 CB THR A 97 3.006 -5.317 -16.205 1.00 0.00 C ATOM 1462 OG1 THR A 97 1.818 -6.054 -16.530 1.00 0.00 O ATOM 1463 CG2 THR A 97 4.125 -6.262 -15.886 1.00 0.00 C ATOM 0 H THR A 97 1.337 -3.605 -16.319 1.00 0.00 H new ATOM 0 HA THR A 97 2.421 -4.946 -14.152 1.00 0.00 H new ATOM 0 HB THR A 97 3.291 -4.714 -17.067 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.999 -6.649 -17.288 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.297 -6.922 -16.736 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.032 -5.695 -15.678 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.861 -6.857 -15.012 1.00 0.00 H new ATOM 1471 N TYR A 98 4.186 -2.415 -15.105 1.00 0.00 N ATOM 1472 CA TYR A 98 5.398 -1.658 -14.847 1.00 0.00 C ATOM 1473 C TYR A 98 5.634 -1.468 -13.349 1.00 0.00 C ATOM 1474 O TYR A 98 6.728 -1.735 -12.857 1.00 0.00 O ATOM 1475 CB TYR A 98 5.365 -0.303 -15.548 1.00 0.00 C ATOM 1476 CG TYR A 98 6.604 0.511 -15.267 1.00 0.00 C ATOM 1477 CD1 TYR A 98 7.863 -0.006 -15.542 1.00 0.00 C ATOM 1478 CD2 TYR A 98 6.517 1.773 -14.700 1.00 0.00 C ATOM 1479 CE1 TYR A 98 9.006 0.720 -15.264 1.00 0.00 C ATOM 1480 CE2 TYR A 98 7.651 2.502 -14.414 1.00 0.00 C ATOM 1481 CZ TYR A 98 8.893 1.974 -14.700 1.00 0.00 C ATOM 1482 OH TYR A 98 10.024 2.701 -14.404 1.00 0.00 O ATOM 0 H TYR A 98 3.483 -1.920 -15.655 1.00 0.00 H new ATOM 0 HA TYR A 98 6.227 -2.238 -15.252 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.267 -0.454 -16.623 1.00 0.00 H new ATOM 0 HB3 TYR A 98 4.485 0.252 -15.222 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.951 -0.990 -15.979 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.546 2.191 -14.479 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.980 0.309 -15.487 1.00 0.00 H new ATOM 0 HE2 TYR A 98 7.568 3.482 -13.968 1.00 0.00 H new ATOM 0 HH TYR A 98 9.766 3.562 -14.013 1.00 0.00 H new ATOM 1492 N MET A 99 4.615 -1.021 -12.625 1.00 0.00 N ATOM 1493 CA MET A 99 4.751 -0.821 -11.184 1.00 0.00 C ATOM 1494 C MET A 99 4.987 -2.150 -10.475 1.00 0.00 C ATOM 1495 O MET A 99 5.639 -2.198 -9.434 1.00 0.00 O ATOM 1496 CB MET A 99 3.528 -0.115 -10.590 1.00 0.00 C ATOM 1497 CG MET A 99 3.412 1.353 -10.979 1.00 0.00 C ATOM 1498 SD MET A 99 2.839 1.591 -12.671 1.00 0.00 S ATOM 1499 CE MET A 99 1.123 1.101 -12.517 1.00 0.00 C ATOM 0 H MET A 99 3.696 -0.792 -13.004 1.00 0.00 H new ATOM 0 HA MET A 99 5.617 -0.177 -11.027 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.627 -0.638 -10.912 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.570 -0.190 -9.503 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.725 1.851 -10.295 1.00 0.00 H new ATOM 0 HG3 MET A 99 4.384 1.833 -10.860 1.00 0.00 H new ATOM 0 HE1 MET A 99 0.503 1.750 -13.135 1.00 0.00 H new ATOM 0 HE2 MET A 99 1.009 0.068 -12.846 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.812 1.187 -11.476 1.00 0.00 H new ATOM 1509 N GLN A 100 4.471 -3.227 -11.055 1.00 0.00 N ATOM 1510 CA GLN A 100 4.696 -4.565 -10.522 1.00 0.00 C ATOM 1511 C GLN A 100 6.178 -4.916 -10.653 1.00 0.00 C ATOM 1512 O GLN A 100 6.825 -5.289 -9.676 1.00 0.00 O ATOM 1513 CB GLN A 100 3.813 -5.577 -11.273 1.00 0.00 C ATOM 1514 CG GLN A 100 3.791 -6.987 -10.687 1.00 0.00 C ATOM 1515 CD GLN A 100 4.932 -7.867 -11.174 1.00 0.00 C ATOM 1516 OE1 GLN A 100 5.989 -7.946 -10.550 1.00 0.00 O ATOM 1517 NE2 GLN A 100 4.727 -8.533 -12.297 1.00 0.00 N ATOM 0 H GLN A 100 3.893 -3.200 -11.895 1.00 0.00 H new ATOM 0 HA GLN A 100 4.425 -4.599 -9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.792 -5.196 -11.297 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.155 -5.636 -12.306 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.833 -6.920 -9.600 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.843 -7.462 -10.941 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.837 -8.443 -12.788 1.00 0.00 H new ATOM 0 HE22 GLN A 100 5.458 -9.137 -12.673 1.00 0.00 H new ATOM 1526 N GLU A 101 6.707 -4.753 -11.864 1.00 0.00 N ATOM 1527 CA GLU A 101 8.122 -5.001 -12.138 1.00 0.00 C ATOM 1528 C GLU A 101 9.003 -4.124 -11.250 1.00 0.00 C ATOM 1529 O GLU A 101 10.062 -4.551 -10.786 1.00 0.00 O ATOM 1530 CB GLU A 101 8.439 -4.697 -13.603 1.00 0.00 C ATOM 1531 CG GLU A 101 9.127 -5.838 -14.336 1.00 0.00 C ATOM 1532 CD GLU A 101 8.178 -6.958 -14.701 1.00 0.00 C ATOM 1533 OE1 GLU A 101 7.412 -6.788 -15.673 1.00 0.00 O ATOM 1534 OE2 GLU A 101 8.200 -8.006 -14.023 1.00 0.00 O ATOM 0 H GLU A 101 6.172 -4.448 -12.677 1.00 0.00 H new ATOM 0 HA GLU A 101 8.326 -6.051 -11.927 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.512 -4.452 -14.122 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.074 -3.813 -13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.593 -5.453 -15.243 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.927 -6.235 -13.711 1.00 0.00 H new ATOM 1541 N GLN A 102 8.547 -2.898 -11.027 1.00 0.00 N ATOM 1542 CA GLN A 102 9.280 -1.924 -10.231 1.00 0.00 C ATOM 1543 C GLN A 102 9.423 -2.402 -8.791 1.00 0.00 C ATOM 1544 O GLN A 102 10.528 -2.461 -8.254 1.00 0.00 O ATOM 1545 CB GLN A 102 8.555 -0.580 -10.264 1.00 0.00 C ATOM 1546 CG GLN A 102 9.421 0.590 -9.837 1.00 0.00 C ATOM 1547 CD GLN A 102 8.695 1.910 -9.934 1.00 0.00 C ATOM 1548 OE1 GLN A 102 8.087 2.367 -8.969 1.00 0.00 O ATOM 1549 NE2 GLN A 102 8.761 2.533 -11.098 1.00 0.00 N ATOM 0 H GLN A 102 7.660 -2.552 -11.393 1.00 0.00 H new ATOM 0 HA GLN A 102 10.277 -1.808 -10.656 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.188 -0.400 -11.274 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.682 -0.632 -9.613 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.754 0.436 -8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.315 0.623 -10.460 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.278 2.115 -11.872 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.295 3.432 -11.223 1.00 0.00 H new ATOM 1558 N LEU A 103 8.296 -2.746 -8.179 1.00 0.00 N ATOM 1559 CA LEU A 103 8.291 -3.265 -6.812 1.00 0.00 C ATOM 1560 C LEU A 103 9.086 -4.564 -6.740 1.00 0.00 C ATOM 1561 O LEU A 103 9.875 -4.778 -5.819 1.00 0.00 O ATOM 1562 CB LEU A 103 6.856 -3.505 -6.333 1.00 0.00 C ATOM 1563 CG LEU A 103 5.966 -2.261 -6.282 1.00 0.00 C ATOM 1564 CD1 LEU A 103 4.544 -2.638 -5.895 1.00 0.00 C ATOM 1565 CD2 LEU A 103 6.532 -1.231 -5.313 1.00 0.00 C ATOM 0 H LEU A 103 7.372 -2.676 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 103 8.757 -2.525 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.389 -4.239 -6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.892 -3.947 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 103 5.945 -1.815 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.925 -1.741 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.139 -3.333 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.547 -3.111 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.883 -0.355 -5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.589 -1.664 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.530 -0.936 -5.638 1.00 0.00 H new ATOM 1577 N LYS A 104 8.871 -5.413 -7.738 1.00 0.00 N ATOM 1578 CA LYS A 104 9.577 -6.683 -7.872 1.00 0.00 C ATOM 1579 C LYS A 104 11.088 -6.478 -7.793 1.00 0.00 C ATOM 1580 O LYS A 104 11.773 -7.068 -6.956 1.00 0.00 O ATOM 1581 CB LYS A 104 9.218 -7.298 -9.226 1.00 0.00 C ATOM 1582 CG LYS A 104 9.768 -8.691 -9.468 1.00 0.00 C ATOM 1583 CD LYS A 104 9.756 -9.014 -10.954 1.00 0.00 C ATOM 1584 CE LYS A 104 9.844 -10.507 -11.213 1.00 0.00 C ATOM 1585 NZ LYS A 104 8.544 -11.183 -10.977 1.00 0.00 N ATOM 0 H LYS A 104 8.197 -5.239 -8.483 1.00 0.00 H new ATOM 0 HA LYS A 104 9.279 -7.344 -7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.132 -7.333 -9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.582 -6.639 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.785 -8.759 -9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.171 -9.424 -8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.843 -8.622 -11.403 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.592 -8.512 -11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.163 -10.680 -12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.604 -10.944 -10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.630 -12.192 -11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.277 -11.082 -9.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.813 -10.749 -11.576 1.00 0.00 H new ATOM 1599 N GLU A 105 11.590 -5.618 -8.668 1.00 0.00 N ATOM 1600 CA GLU A 105 13.018 -5.370 -8.778 1.00 0.00 C ATOM 1601 C GLU A 105 13.536 -4.602 -7.565 1.00 0.00 C ATOM 1602 O GLU A 105 14.673 -4.796 -7.139 1.00 0.00 O ATOM 1603 CB GLU A 105 13.300 -4.603 -10.071 1.00 0.00 C ATOM 1604 CG GLU A 105 14.768 -4.538 -10.447 1.00 0.00 C ATOM 1605 CD GLU A 105 14.966 -4.086 -11.876 1.00 0.00 C ATOM 1606 OE1 GLU A 105 14.913 -4.943 -12.784 1.00 0.00 O ATOM 1607 OE2 GLU A 105 15.164 -2.872 -12.100 1.00 0.00 O ATOM 0 H GLU A 105 11.021 -5.076 -9.318 1.00 0.00 H new ATOM 0 HA GLU A 105 13.543 -6.325 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.748 -5.071 -10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.917 -3.588 -9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.285 -3.853 -9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.221 -5.520 -10.311 1.00 0.00 H new ATOM 1614 N LEU A 106 12.690 -3.745 -7.003 1.00 0.00 N ATOM 1615 CA LEU A 106 13.047 -2.996 -5.804 1.00 0.00 C ATOM 1616 C LEU A 106 13.386 -3.955 -4.668 1.00 0.00 C ATOM 1617 O LEU A 106 14.397 -3.793 -3.984 1.00 0.00 O ATOM 1618 CB LEU A 106 11.898 -2.072 -5.388 1.00 0.00 C ATOM 1619 CG LEU A 106 12.168 -1.192 -4.162 1.00 0.00 C ATOM 1620 CD1 LEU A 106 13.333 -0.249 -4.423 1.00 0.00 C ATOM 1621 CD2 LEU A 106 10.919 -0.411 -3.784 1.00 0.00 C ATOM 0 H LEU A 106 11.753 -3.552 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 106 13.922 -2.385 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.652 -1.425 -6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.018 -2.683 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 106 12.436 -1.839 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.508 0.366 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.229 -0.830 -4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.098 0.393 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.127 0.209 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.621 0.225 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.112 -1.106 -3.551 1.00 0.00 H new ATOM 1633 N VAL A 107 12.540 -4.960 -4.481 1.00 0.00 N ATOM 1634 CA VAL A 107 12.770 -5.972 -3.458 1.00 0.00 C ATOM 1635 C VAL A 107 13.970 -6.844 -3.824 1.00 0.00 C ATOM 1636 O VAL A 107 14.810 -7.151 -2.975 1.00 0.00 O ATOM 1637 CB VAL A 107 11.519 -6.863 -3.262 1.00 0.00 C ATOM 1638 CG1 VAL A 107 11.771 -7.942 -2.219 1.00 0.00 C ATOM 1639 CG2 VAL A 107 10.318 -6.013 -2.868 1.00 0.00 C ATOM 0 H VAL A 107 11.688 -5.096 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 107 12.977 -5.453 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 107 11.304 -7.355 -4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.875 -8.552 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.600 -8.572 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 107 12.019 -7.476 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 107 9.447 -6.654 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.532 -5.491 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.115 -5.284 -3.653 1.00 0.00 H new ATOM 1649 N LEU A 108 14.058 -7.203 -5.102 1.00 0.00 N ATOM 1650 CA LEU A 108 15.124 -8.069 -5.599 1.00 0.00 C ATOM 1651 C LEU A 108 16.501 -7.448 -5.355 1.00 0.00 C ATOM 1652 O LEU A 108 17.437 -8.137 -4.950 1.00 0.00 O ATOM 1653 CB LEU A 108 14.902 -8.349 -7.095 1.00 0.00 C ATOM 1654 CG LEU A 108 15.798 -9.427 -7.719 1.00 0.00 C ATOM 1655 CD1 LEU A 108 15.083 -10.082 -8.891 1.00 0.00 C ATOM 1656 CD2 LEU A 108 17.122 -8.837 -8.185 1.00 0.00 C ATOM 0 H LEU A 108 13.397 -6.904 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 108 15.094 -9.012 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.862 -8.642 -7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.050 -7.419 -7.644 1.00 0.00 H new ATOM 0 HG LEU A 108 16.008 -10.177 -6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.726 -10.846 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.158 -10.542 -8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.852 -9.328 -9.644 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.737 -9.623 -8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.934 -8.065 -8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.645 -8.399 -7.335 1.00 0.00 H new ATOM 1668 N GLU A 109 16.620 -6.143 -5.573 1.00 0.00 N ATOM 1669 CA GLU A 109 17.896 -5.453 -5.398 1.00 0.00 C ATOM 1670 C GLU A 109 18.197 -5.167 -3.925 1.00 0.00 C ATOM 1671 O GLU A 109 19.186 -4.516 -3.594 1.00 0.00 O ATOM 1672 CB GLU A 109 17.925 -4.163 -6.218 1.00 0.00 C ATOM 1673 CG GLU A 109 17.997 -4.412 -7.718 1.00 0.00 C ATOM 1674 CD GLU A 109 19.282 -5.104 -8.132 1.00 0.00 C ATOM 1675 OE1 GLU A 109 19.475 -6.286 -7.778 1.00 0.00 O ATOM 1676 OE2 GLU A 109 20.104 -4.474 -8.827 1.00 0.00 O ATOM 0 H GLU A 109 15.852 -5.542 -5.870 1.00 0.00 H new ATOM 0 HA GLU A 109 18.679 -6.118 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.033 -3.577 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.784 -3.565 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.146 -5.021 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.914 -3.461 -8.245 1.00 0.00 H new ATOM 1683 N HIS A 110 17.347 -5.669 -3.041 1.00 0.00 N ATOM 1684 CA HIS A 110 17.610 -5.595 -1.609 1.00 0.00 C ATOM 1685 C HIS A 110 18.055 -6.956 -1.089 1.00 0.00 C ATOM 1686 O HIS A 110 18.258 -7.141 0.111 1.00 0.00 O ATOM 1687 CB HIS A 110 16.378 -5.100 -0.845 1.00 0.00 C ATOM 1688 CG HIS A 110 16.240 -3.607 -0.823 1.00 0.00 C ATOM 1689 ND1 HIS A 110 15.664 -2.885 -1.843 1.00 0.00 N ATOM 1690 CD2 HIS A 110 16.614 -2.698 0.111 1.00 0.00 C ATOM 1691 CE1 HIS A 110 15.690 -1.601 -1.543 1.00 0.00 C ATOM 1692 NE2 HIS A 110 16.261 -1.459 -0.362 1.00 0.00 N ATOM 0 H HIS A 110 16.472 -6.131 -3.288 1.00 0.00 H new ATOM 0 HA HIS A 110 18.412 -4.876 -1.444 1.00 0.00 H new ATOM 0 HB2 HIS A 110 15.484 -5.532 -1.296 1.00 0.00 H new ATOM 0 HB3 HIS A 110 16.426 -5.466 0.180 1.00 0.00 H new ATOM 0 HD1 HIS A 110 15.277 -3.282 -2.699 1.00 0.00 H new ATOM 0 HD2 HIS A 110 17.099 -2.910 1.052 1.00 0.00 H new ATOM 0 HE1 HIS A 110 15.308 -0.801 -2.160 1.00 0.00 H new TER 1701 HIS A 110