USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 944 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 58 THR OG1 : rot -29:sc= 0.239 USER MOD Set 1.2: B 8 GLN :FLIP amide:sc= 0.0788 F(o=-0.34,f=0.32) USER MOD Set 1.3: B 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 7 TYR OH : rot 180:sc= -0.0265 USER MOD Set 2.2: B 28 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 54 THR OG1 : rot -47:sc= 0.483 USER MOD Set 3.2: B 46 LYS NZ :NH3+ -161:sc= 1.67 (180deg=0.552) USER MOD Set 4.1: A 46 LYS NZ :NH3+ -155:sc= 1.74 (180deg=0.325) USER MOD Set 4.2: B 54 THR OG1 : rot -47:sc= 0.61 USER MOD Set 5.1: A 7 TYR OH : rot 180:sc= 0.779 USER MOD Set 5.2: A 28 SER OG : rot 112:sc= 0.101 USER MOD Set 6.1: A 8 GLN :FLIP amide:sc= 0.189 F(o=0.18,f=0.81) USER MOD Set 6.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 6.3: B 58 THR OG1 : rot -18:sc= 0.618 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.793 (180deg=-1.85!) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0786 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.39 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -140:sc= 1.02 (180deg=0.0636) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 25 THR OG1 : rot 120:sc= -0.26 USER MOD Single : A 26 MET CE :methyl -161:sc= -5.99! (180deg=-7.42!) USER MOD Single : A 29 SER OG : rot -170:sc= -0.0652 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00923) USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= 0.0965 (180deg=-0.416) USER MOD Single : A 37 SER OG : rot -130:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.314 X(o=-0.31,f=0.072) USER MOD Single : A 44 SER OG : rot -120:sc= -0.318 USER MOD Single : A 48 ASN : amide:sc= -0.0613 X(o=-0.061,f=-0.33) USER MOD Single : A 49 SER OG : rot 14:sc= -0.439 USER MOD Single : A 59 THR OG1 : rot 64:sc= -0.187 USER MOD Single : A 60 MET CE :methyl 165:sc= -0.0564 (180deg=-0.373) USER MOD Single : A 61 THR OG1 : rot 31:sc= 0.294 USER MOD Single : B 1 MET CE :methyl -136:sc= -0.172 (180deg=-2.43!) USER MOD Single : B 1 MET N :NH3+ 145:sc= 0.042 (180deg=0) USER MOD Single : B 2 TYR OH : rot 30:sc= -0.17 USER MOD Single : B 3 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0403) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -148:sc= 0.869 (180deg=0.0623) USER MOD Single : B 21 SER OG : rot 180:sc= -0.144 USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.502 USER MOD Single : B 26 MET CE :methyl -159:sc= -6.19! (180deg=-7.63!) USER MOD Single : B 29 SER OG : rot -174:sc= -0.388 USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0176) USER MOD Single : B 37 SER OG : rot -140:sc= 0 USER MOD Single : B 40 HIS : no HE2:sc= 0.0177 K(o=0.018,f=-1.1) USER MOD Single : B 44 SER OG : rot -120:sc= -0.444 USER MOD Single : B 48 ASN : amide:sc= -0.0717 X(o=-0.072,f=-0.5) USER MOD Single : B 49 SER OG : rot 5:sc= -0.383 USER MOD Single : B 59 THR OG1 : rot -19:sc= 0.113 USER MOD Single : B 60 MET CE :methyl -175:sc= 0 (180deg=-0.0579) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.422 7.396 10.826 1.00 0.00 N ATOM 2 CA MET A 1 -11.521 7.824 9.733 1.00 0.00 C ATOM 3 C MET A 1 -10.738 6.619 9.207 1.00 0.00 C ATOM 4 O MET A 1 -10.522 5.641 9.937 1.00 0.00 O ATOM 5 CB MET A 1 -10.542 8.922 10.239 1.00 0.00 C ATOM 6 CG MET A 1 -9.726 9.625 9.149 1.00 0.00 C ATOM 7 SD MET A 1 -8.635 10.894 9.827 1.00 0.00 S ATOM 8 CE MET A 1 -7.971 11.617 8.335 1.00 0.00 C ATOM 0 H1 MET A 1 -13.403 7.381 10.481 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.152 6.444 11.145 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.345 8.062 11.621 1.00 0.00 H new ATOM 0 HA MET A 1 -12.119 8.241 8.923 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.115 9.673 10.783 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.852 8.470 10.952 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.132 8.887 8.610 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.404 10.079 8.426 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.004 12.071 8.550 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.848 10.842 7.579 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.656 12.380 7.965 1.00 0.00 H new ATOM 18 N TYR A 2 -10.335 6.690 7.934 1.00 0.00 N ATOM 19 CA TYR A 2 -9.404 5.721 7.345 1.00 0.00 C ATOM 20 C TYR A 2 -7.974 5.954 7.842 1.00 0.00 C ATOM 21 O TYR A 2 -7.589 7.078 8.194 1.00 0.00 O ATOM 22 CB TYR A 2 -9.473 5.726 5.806 1.00 0.00 C ATOM 23 CG TYR A 2 -9.604 7.106 5.141 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.508 7.954 4.976 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.837 7.538 4.658 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.642 9.177 4.347 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.978 8.758 4.037 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.878 9.572 3.882 1.00 0.00 C ATOM 29 OH TYR A 2 -10.013 10.774 3.239 1.00 0.00 O ATOM 0 H TYR A 2 -10.642 7.416 7.286 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.713 4.730 7.677 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.575 5.243 5.420 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.321 5.115 5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.540 7.650 5.346 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.702 6.901 4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.783 9.820 4.220 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.944 9.075 3.674 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.948 10.900 2.974 1.00 0.00 H new ATOM 39 N LYS A 3 -7.188 4.869 7.819 1.00 0.00 N ATOM 40 CA LYS A 3 -5.890 4.810 8.488 1.00 0.00 C ATOM 41 C LYS A 3 -5.039 3.637 7.967 1.00 0.00 C ATOM 42 O LYS A 3 -5.492 2.838 7.130 1.00 0.00 O ATOM 43 CB LYS A 3 -6.075 4.781 10.053 1.00 0.00 C ATOM 44 CG LYS A 3 -7.152 3.827 10.641 1.00 0.00 C ATOM 45 CD LYS A 3 -6.852 2.328 10.418 1.00 0.00 C ATOM 46 CE LYS A 3 -7.652 1.411 11.361 1.00 0.00 C ATOM 47 NZ LYS A 3 -9.104 1.490 11.124 1.00 0.00 N ATOM 0 H LYS A 3 -7.439 4.008 7.334 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.335 5.717 8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.116 4.517 10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.311 5.794 10.381 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.243 4.014 11.711 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.117 4.065 10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.080 2.067 9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.787 2.150 10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.321 0.381 11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.440 1.684 12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.598 0.855 11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.428 2.467 11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.312 1.204 10.146 1.00 0.00 H new ATOM 61 N PHE A 4 -3.806 3.558 8.483 1.00 0.00 N ATOM 62 CA PHE A 4 -2.828 2.525 8.124 1.00 0.00 C ATOM 63 C PHE A 4 -2.793 1.452 9.209 1.00 0.00 C ATOM 64 O PHE A 4 -2.416 1.725 10.352 1.00 0.00 O ATOM 65 CB PHE A 4 -1.427 3.153 7.942 1.00 0.00 C ATOM 66 CG PHE A 4 -1.382 4.198 6.834 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.110 3.825 5.519 1.00 0.00 C ATOM 68 CD2 PHE A 4 -1.623 5.548 7.105 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.073 4.766 4.517 1.00 0.00 C ATOM 70 CE2 PHE A 4 -1.587 6.483 6.099 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.313 6.092 4.811 1.00 0.00 C ATOM 0 H PHE A 4 -3.455 4.222 9.173 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.124 2.066 7.180 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.116 3.613 8.880 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.708 2.365 7.720 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.927 2.787 5.285 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.840 5.859 8.116 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.856 4.467 3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.774 7.523 6.320 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.285 6.829 4.022 1.00 0.00 H new ATOM 81 N GLU A 5 -3.192 0.238 8.840 1.00 0.00 N ATOM 82 CA GLU A 5 -3.197 -0.906 9.749 1.00 0.00 C ATOM 83 C GLU A 5 -1.886 -1.670 9.608 1.00 0.00 C ATOM 84 O GLU A 5 -1.628 -2.270 8.556 1.00 0.00 O ATOM 85 CB GLU A 5 -4.413 -1.835 9.478 1.00 0.00 C ATOM 86 CG GLU A 5 -5.763 -1.187 9.822 1.00 0.00 C ATOM 87 CD GLU A 5 -6.963 -2.146 9.798 1.00 0.00 C ATOM 88 OE1 GLU A 5 -7.136 -2.870 8.808 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.744 -2.168 10.775 1.00 0.00 O ATOM 0 H GLU A 5 -3.522 0.019 7.900 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.291 -0.542 10.772 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.414 -2.123 8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.299 -2.750 10.059 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.693 -0.740 10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.950 -0.376 9.119 1.00 0.00 H new ATOM 96 N ILE A 6 -1.068 -1.640 10.678 1.00 0.00 N ATOM 97 CA ILE A 6 0.239 -2.300 10.722 1.00 0.00 C ATOM 98 C ILE A 6 0.074 -3.597 11.496 1.00 0.00 C ATOM 99 O ILE A 6 -0.137 -3.587 12.712 1.00 0.00 O ATOM 100 CB ILE A 6 1.325 -1.429 11.453 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.381 0.001 10.838 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.719 -2.134 11.421 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.170 1.004 11.656 1.00 0.00 C ATOM 0 H ILE A 6 -1.304 -1.151 11.541 1.00 0.00 H new ATOM 0 HA ILE A 6 0.575 -2.464 9.698 1.00 0.00 H new ATOM 0 HB ILE A 6 1.042 -1.325 12.501 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.819 -0.062 9.842 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.363 0.371 10.716 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.453 -1.512 11.933 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.650 -3.100 11.921 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.028 -2.283 10.386 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.157 1.972 11.155 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.721 1.101 12.645 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.200 0.661 11.757 1.00 0.00 H new ATOM 115 N TYR A 7 0.158 -4.695 10.792 1.00 0.00 N ATOM 116 CA TYR A 7 0.048 -6.025 11.371 1.00 0.00 C ATOM 117 C TYR A 7 1.182 -6.890 10.834 1.00 0.00 C ATOM 118 O TYR A 7 2.040 -6.414 10.088 1.00 0.00 O ATOM 119 CB TYR A 7 -1.349 -6.630 11.065 1.00 0.00 C ATOM 120 CG TYR A 7 -1.693 -6.723 9.567 1.00 0.00 C ATOM 121 CD1 TYR A 7 -2.153 -5.601 8.865 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.556 -7.921 8.858 1.00 0.00 C ATOM 123 CE1 TYR A 7 -2.457 -5.673 7.525 1.00 0.00 C ATOM 124 CE2 TYR A 7 -1.865 -7.993 7.513 1.00 0.00 C ATOM 125 CZ TYR A 7 -2.314 -6.865 6.853 1.00 0.00 C ATOM 126 OH TYR A 7 -2.616 -6.932 5.507 1.00 0.00 O ATOM 0 H TYR A 7 0.307 -4.700 9.783 1.00 0.00 H new ATOM 0 HA TYR A 7 0.140 -5.976 12.456 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.401 -7.629 11.499 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.109 -6.027 11.562 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.271 -4.662 9.385 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.203 -8.804 9.370 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.807 -4.796 7.002 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.756 -8.926 6.980 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.461 -7.843 5.182 1.00 0.00 H new ATOM 136 N GLN A 8 1.212 -8.141 11.265 1.00 0.00 N ATOM 137 CA GLN A 8 2.003 -9.184 10.602 1.00 0.00 C ATOM 138 C GLN A 8 1.057 -10.323 10.214 1.00 0.00 C ATOM 139 O GLN A 8 0.088 -10.624 10.928 1.00 0.00 O ATOM 140 CB GLN A 8 3.202 -9.661 11.478 1.00 0.00 C ATOM 141 CG GLN A 8 2.927 -10.798 12.474 1.00 0.00 C ATOM 142 CD GLN A 8 4.024 -10.921 13.538 1.00 0.00 C ATOM 143 OE1 GLN A 8 5.077 -11.659 13.226 1.00 0.00 O flip ATOM 144 NE2 GLN A 8 3.940 -10.321 14.615 1.00 0.00 N flip ATOM 0 H GLN A 8 0.694 -8.468 12.080 1.00 0.00 H new ATOM 0 HA GLN A 8 2.464 -8.781 9.700 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.003 -9.981 10.811 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.576 -8.803 12.037 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.968 -10.625 12.963 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.843 -11.740 11.932 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.114 -9.761 14.823 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.697 -10.386 15.295 1.00 0.00 H new ATOM 153 N ASP A 9 1.336 -10.920 9.066 1.00 0.00 N ATOM 154 CA ASP A 9 0.544 -12.000 8.493 1.00 0.00 C ATOM 155 C ASP A 9 0.910 -13.308 9.205 1.00 0.00 C ATOM 156 O ASP A 9 1.987 -13.389 9.794 1.00 0.00 O ATOM 157 CB ASP A 9 0.838 -12.075 6.965 1.00 0.00 C ATOM 158 CG ASP A 9 0.028 -13.155 6.235 1.00 0.00 C ATOM 159 OD1 ASP A 9 -1.139 -12.890 5.888 1.00 0.00 O ATOM 160 OD2 ASP A 9 0.545 -14.276 6.026 1.00 0.00 O ATOM 0 H ASP A 9 2.139 -10.662 8.492 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.523 -11.825 8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.624 -11.106 6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.901 -12.268 6.817 1.00 0.00 H new ATOM 165 N LYS A 10 0.002 -14.308 9.123 1.00 0.00 N ATOM 166 CA LYS A 10 0.155 -15.669 9.705 1.00 0.00 C ATOM 167 C LYS A 10 1.544 -16.304 9.414 1.00 0.00 C ATOM 168 O LYS A 10 2.074 -17.061 10.224 1.00 0.00 O ATOM 169 CB LYS A 10 -1.029 -16.579 9.240 1.00 0.00 C ATOM 170 CG LYS A 10 -1.266 -16.691 7.702 1.00 0.00 C ATOM 171 CD LYS A 10 -0.415 -17.775 6.986 1.00 0.00 C ATOM 172 CE LYS A 10 -0.727 -19.199 7.486 1.00 0.00 C ATOM 173 NZ LYS A 10 0.054 -20.236 6.767 1.00 0.00 N ATOM 0 H LYS A 10 -0.886 -14.190 8.636 1.00 0.00 H new ATOM 0 HA LYS A 10 0.113 -15.575 10.790 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.861 -17.582 9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.945 -16.206 9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.321 -16.903 7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.055 -15.724 7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.596 -17.723 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.643 -17.563 7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.513 -19.261 8.553 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.791 -19.399 7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.191 -21.176 7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.169 -20.197 5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.070 -20.063 6.905 1.00 0.00 H new ATOM 187 N ALA A 11 2.096 -15.971 8.235 1.00 0.00 N ATOM 188 CA ALA A 11 3.431 -16.428 7.776 1.00 0.00 C ATOM 189 C ALA A 11 4.593 -15.657 8.477 1.00 0.00 C ATOM 190 O ALA A 11 5.759 -15.813 8.102 1.00 0.00 O ATOM 191 CB ALA A 11 3.502 -16.281 6.247 1.00 0.00 C ATOM 0 H ALA A 11 1.625 -15.368 7.560 1.00 0.00 H new ATOM 0 HA ALA A 11 3.558 -17.475 8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.478 -16.613 5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.724 -16.889 5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.354 -15.236 5.975 1.00 0.00 H new ATOM 197 N GLY A 12 4.253 -14.857 9.510 1.00 0.00 N ATOM 198 CA GLY A 12 5.199 -13.993 10.226 1.00 0.00 C ATOM 199 C GLY A 12 5.703 -12.833 9.375 1.00 0.00 C ATOM 200 O GLY A 12 6.790 -12.304 9.621 1.00 0.00 O ATOM 0 H GLY A 12 3.301 -14.797 9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.717 -13.598 11.121 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.049 -14.590 10.558 1.00 0.00 H new ATOM 204 N GLU A 13 4.886 -12.416 8.388 1.00 0.00 N ATOM 205 CA GLU A 13 5.288 -11.408 7.375 1.00 0.00 C ATOM 206 C GLU A 13 4.615 -10.069 7.684 1.00 0.00 C ATOM 207 O GLU A 13 3.421 -9.928 7.436 1.00 0.00 O ATOM 208 CB GLU A 13 4.874 -11.868 5.945 1.00 0.00 C ATOM 209 CG GLU A 13 5.401 -13.247 5.519 1.00 0.00 C ATOM 210 CD GLU A 13 4.914 -13.677 4.121 1.00 0.00 C ATOM 211 OE1 GLU A 13 3.696 -13.566 3.836 1.00 0.00 O ATOM 212 OE2 GLU A 13 5.735 -14.136 3.302 1.00 0.00 O ATOM 0 H GLU A 13 3.934 -12.763 8.267 1.00 0.00 H new ATOM 0 HA GLU A 13 6.372 -11.298 7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.786 -11.880 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.224 -11.126 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.491 -13.231 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.087 -13.991 6.251 1.00 0.00 H new ATOM 219 N TYR A 14 5.361 -9.110 8.261 1.00 0.00 N ATOM 220 CA TYR A 14 4.849 -7.746 8.503 1.00 0.00 C ATOM 221 C TYR A 14 4.297 -7.099 7.218 1.00 0.00 C ATOM 222 O TYR A 14 4.936 -7.125 6.175 1.00 0.00 O ATOM 223 CB TYR A 14 5.913 -6.855 9.202 1.00 0.00 C ATOM 224 CG TYR A 14 6.086 -7.232 10.684 1.00 0.00 C ATOM 225 CD1 TYR A 14 6.919 -8.282 11.087 1.00 0.00 C ATOM 226 CD2 TYR A 14 5.356 -6.571 11.675 1.00 0.00 C ATOM 227 CE1 TYR A 14 7.023 -8.641 12.422 1.00 0.00 C ATOM 228 CE2 TYR A 14 5.468 -6.923 13.005 1.00 0.00 C ATOM 229 CZ TYR A 14 6.292 -7.956 13.374 1.00 0.00 C ATOM 230 OH TYR A 14 6.385 -8.314 14.704 1.00 0.00 O ATOM 0 H TYR A 14 6.323 -9.253 8.569 1.00 0.00 H new ATOM 0 HA TYR A 14 4.006 -7.833 9.189 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.868 -6.957 8.687 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.619 -5.808 9.125 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.490 -8.821 10.346 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.690 -5.768 11.395 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.672 -9.452 12.717 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.907 -6.385 13.755 1.00 0.00 H new ATOM 0 HH TYR A 14 5.808 -7.732 15.241 1.00 0.00 H new ATOM 240 N ARG A 15 3.062 -6.590 7.347 1.00 0.00 N ATOM 241 CA ARG A 15 2.261 -5.986 6.268 1.00 0.00 C ATOM 242 C ARG A 15 1.585 -4.724 6.816 1.00 0.00 C ATOM 243 O ARG A 15 1.086 -4.732 7.945 1.00 0.00 O ATOM 244 CB ARG A 15 1.155 -6.968 5.752 1.00 0.00 C ATOM 245 CG ARG A 15 1.647 -8.359 5.290 1.00 0.00 C ATOM 246 CD ARG A 15 2.668 -8.269 4.149 1.00 0.00 C ATOM 247 NE ARG A 15 3.173 -9.585 3.720 1.00 0.00 N ATOM 248 CZ ARG A 15 3.472 -9.912 2.452 1.00 0.00 C ATOM 249 NH1 ARG A 15 3.154 -9.102 1.448 1.00 0.00 N ATOM 250 NH2 ARG A 15 4.046 -11.072 2.189 1.00 0.00 N ATOM 0 H ARG A 15 2.573 -6.587 8.242 1.00 0.00 H new ATOM 0 HA ARG A 15 2.923 -5.752 5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.423 -7.109 6.547 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.635 -6.493 4.920 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.096 -8.882 6.135 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.793 -8.953 4.964 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.209 -7.767 3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.507 -7.651 4.468 1.00 0.00 H new ATOM 0 HE ARG A 15 3.305 -10.298 4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.677 -8.220 1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.387 -9.362 0.490 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.262 -11.718 2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.274 -11.322 1.227 1.00 0.00 H new ATOM 264 N PHE A 16 1.560 -3.650 6.020 1.00 0.00 N ATOM 265 CA PHE A 16 0.770 -2.454 6.337 1.00 0.00 C ATOM 266 C PHE A 16 -0.178 -2.163 5.174 1.00 0.00 C ATOM 267 O PHE A 16 0.227 -2.201 4.003 1.00 0.00 O ATOM 268 CB PHE A 16 1.674 -1.237 6.679 1.00 0.00 C ATOM 269 CG PHE A 16 2.688 -0.808 5.607 1.00 0.00 C ATOM 270 CD1 PHE A 16 3.951 -1.394 5.544 1.00 0.00 C ATOM 271 CD2 PHE A 16 2.391 0.207 4.692 1.00 0.00 C ATOM 272 CE1 PHE A 16 4.880 -0.987 4.605 1.00 0.00 C ATOM 273 CE2 PHE A 16 3.324 0.617 3.761 1.00 0.00 C ATOM 274 CZ PHE A 16 4.568 0.019 3.719 1.00 0.00 C ATOM 0 H PHE A 16 2.081 -3.584 5.146 1.00 0.00 H new ATOM 0 HA PHE A 16 0.179 -2.642 7.233 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.030 -0.386 6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.222 -1.466 7.593 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.208 -2.179 6.240 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.419 0.676 4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.851 -1.458 4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.081 1.406 3.065 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.297 0.341 2.990 1.00 0.00 H new ATOM 284 N ARG A 17 -1.450 -1.931 5.503 1.00 0.00 N ATOM 285 CA ARG A 17 -2.496 -1.628 4.523 1.00 0.00 C ATOM 286 C ARG A 17 -3.014 -0.208 4.733 1.00 0.00 C ATOM 287 O ARG A 17 -2.709 0.426 5.747 1.00 0.00 O ATOM 288 CB ARG A 17 -3.659 -2.654 4.626 1.00 0.00 C ATOM 289 CG ARG A 17 -4.375 -2.742 5.980 1.00 0.00 C ATOM 290 CD ARG A 17 -5.531 -3.756 5.942 1.00 0.00 C ATOM 291 NE ARG A 17 -5.089 -5.094 5.495 1.00 0.00 N ATOM 292 CZ ARG A 17 -5.851 -5.985 4.843 1.00 0.00 C ATOM 293 NH1 ARG A 17 -7.111 -5.706 4.543 1.00 0.00 N ATOM 294 NH2 ARG A 17 -5.342 -7.154 4.488 1.00 0.00 N ATOM 0 H ARG A 17 -1.787 -1.948 6.466 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.068 -1.701 3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.399 -2.409 3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.266 -3.641 4.383 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.662 -3.031 6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.760 -1.760 6.254 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.975 -3.835 6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.310 -3.391 5.273 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.126 -5.362 5.699 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.511 -4.806 4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.681 -6.391 4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.372 -7.376 4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.920 -7.833 3.992 1.00 0.00 H new ATOM 308 N PHE A 18 -3.806 0.274 3.768 1.00 0.00 N ATOM 309 CA PHE A 18 -4.536 1.542 3.897 1.00 0.00 C ATOM 310 C PHE A 18 -6.016 1.251 3.671 1.00 0.00 C ATOM 311 O PHE A 18 -6.394 0.530 2.731 1.00 0.00 O ATOM 312 CB PHE A 18 -4.016 2.612 2.913 1.00 0.00 C ATOM 313 CG PHE A 18 -4.663 3.993 3.033 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.882 4.578 4.280 1.00 0.00 C ATOM 315 CD2 PHE A 18 -5.022 4.715 1.897 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.448 5.827 4.385 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.586 5.968 2.001 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.799 6.523 3.245 1.00 0.00 C ATOM 0 H PHE A 18 -3.959 -0.201 2.879 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.380 1.954 4.894 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.941 2.721 3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.166 2.248 1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.603 4.043 5.176 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.856 4.286 0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.618 6.263 5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.860 6.514 1.110 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.242 7.505 3.328 1.00 0.00 H new ATOM 328 N LYS A 19 -6.829 1.806 4.562 1.00 0.00 N ATOM 329 CA LYS A 19 -8.261 1.541 4.649 1.00 0.00 C ATOM 330 C LYS A 19 -9.075 2.681 4.026 1.00 0.00 C ATOM 331 O LYS A 19 -8.522 3.646 3.481 1.00 0.00 O ATOM 332 CB LYS A 19 -8.631 1.325 6.147 1.00 0.00 C ATOM 333 CG LYS A 19 -7.879 0.138 6.796 1.00 0.00 C ATOM 334 CD LYS A 19 -8.201 -1.199 6.078 1.00 0.00 C ATOM 335 CE LYS A 19 -9.626 -1.703 6.364 1.00 0.00 C ATOM 336 NZ LYS A 19 -9.735 -2.310 7.711 1.00 0.00 N ATOM 0 H LYS A 19 -6.502 2.471 5.263 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.505 0.642 4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.409 2.235 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.705 1.155 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.805 0.322 6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.154 0.063 7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.076 -1.068 5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.483 -1.957 6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.328 -0.874 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.910 -2.437 5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.337 -3.157 7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.788 -2.577 8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.156 -1.623 8.368 1.00 0.00 H new ATOM 350 N ALA A 20 -10.400 2.535 4.113 1.00 0.00 N ATOM 351 CA ALA A 20 -11.384 3.536 3.696 1.00 0.00 C ATOM 352 C ALA A 20 -12.415 3.693 4.830 1.00 0.00 C ATOM 353 O ALA A 20 -12.499 2.822 5.705 1.00 0.00 O ATOM 354 CB ALA A 20 -12.038 3.135 2.366 1.00 0.00 C ATOM 0 H ALA A 20 -10.830 1.690 4.488 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.901 4.497 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.766 3.893 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.272 3.052 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.541 2.175 2.483 1.00 0.00 H new ATOM 360 N SER A 21 -13.142 4.829 4.835 1.00 0.00 N ATOM 361 CA SER A 21 -14.165 5.169 5.861 1.00 0.00 C ATOM 362 C SER A 21 -15.185 4.032 6.145 1.00 0.00 C ATOM 363 O SER A 21 -15.656 3.884 7.277 1.00 0.00 O ATOM 364 CB SER A 21 -14.912 6.452 5.432 1.00 0.00 C ATOM 365 OG SER A 21 -15.600 6.267 4.206 1.00 0.00 O ATOM 0 H SER A 21 -13.038 5.549 4.120 1.00 0.00 H new ATOM 0 HA SER A 21 -13.626 5.324 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.621 6.738 6.209 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.201 7.272 5.331 1.00 0.00 H new ATOM 0 HG SER A 21 -16.064 7.095 3.963 1.00 0.00 H new ATOM 371 N ASN A 22 -15.494 3.228 5.110 1.00 0.00 N ATOM 372 CA ASN A 22 -16.472 2.114 5.196 1.00 0.00 C ATOM 373 C ASN A 22 -15.824 0.798 5.686 1.00 0.00 C ATOM 374 O ASN A 22 -16.459 -0.261 5.639 1.00 0.00 O ATOM 375 CB ASN A 22 -17.133 1.892 3.808 1.00 0.00 C ATOM 376 CG ASN A 22 -17.941 3.093 3.317 1.00 0.00 C ATOM 377 OD1 ASN A 22 -18.513 3.847 4.102 1.00 0.00 O ATOM 378 ND2 ASN A 22 -17.983 3.279 2.012 1.00 0.00 N ATOM 0 H ASN A 22 -15.074 3.329 4.186 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.227 2.396 5.930 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.357 1.663 3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -17.787 1.022 3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.502 4.068 1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.497 2.634 1.389 1.00 0.00 H new ATOM 385 N GLY A 23 -14.573 0.880 6.173 1.00 0.00 N ATOM 386 CA GLY A 23 -13.799 -0.299 6.585 1.00 0.00 C ATOM 387 C GLY A 23 -13.247 -1.095 5.405 1.00 0.00 C ATOM 388 O GLY A 23 -12.782 -2.223 5.588 1.00 0.00 O ATOM 0 H GLY A 23 -14.074 1.762 6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.972 0.020 7.219 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.432 -0.949 7.190 1.00 0.00 H new ATOM 392 N GLU A 24 -13.305 -0.497 4.200 1.00 0.00 N ATOM 393 CA GLU A 24 -12.772 -1.101 2.962 1.00 0.00 C ATOM 394 C GLU A 24 -11.240 -0.996 2.942 1.00 0.00 C ATOM 395 O GLU A 24 -10.677 -0.158 3.628 1.00 0.00 O ATOM 396 CB GLU A 24 -13.372 -0.376 1.728 1.00 0.00 C ATOM 397 CG GLU A 24 -14.912 -0.355 1.671 1.00 0.00 C ATOM 398 CD GLU A 24 -15.534 -1.760 1.628 1.00 0.00 C ATOM 399 OE1 GLU A 24 -15.431 -2.424 0.572 1.00 0.00 O ATOM 400 OE2 GLU A 24 -16.107 -2.214 2.645 1.00 0.00 O ATOM 0 H GLU A 24 -13.724 0.422 4.056 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.051 -2.154 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.009 0.652 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.996 -0.857 0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.294 0.178 2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.229 0.203 0.790 1.00 0.00 H new ATOM 407 N THR A 25 -10.576 -1.865 2.171 1.00 0.00 N ATOM 408 CA THR A 25 -9.118 -1.804 1.946 1.00 0.00 C ATOM 409 C THR A 25 -8.860 -1.605 0.446 1.00 0.00 C ATOM 410 O THR A 25 -9.661 -2.041 -0.393 1.00 0.00 O ATOM 411 CB THR A 25 -8.396 -3.106 2.448 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.831 -3.429 3.772 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.858 -2.972 2.439 1.00 0.00 C ATOM 0 H THR A 25 -11.032 -2.635 1.682 1.00 0.00 H new ATOM 0 HA THR A 25 -8.712 -0.969 2.516 1.00 0.00 H new ATOM 0 HB THR A 25 -8.665 -3.903 1.755 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.247 -4.317 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.410 -3.900 2.795 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.516 -2.770 1.424 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.560 -2.151 3.092 1.00 0.00 H new ATOM 421 N MET A 26 -7.740 -0.944 0.124 1.00 0.00 N ATOM 422 CA MET A 26 -7.375 -0.591 -1.257 1.00 0.00 C ATOM 423 C MET A 26 -5.937 -1.043 -1.604 1.00 0.00 C ATOM 424 O MET A 26 -5.650 -1.320 -2.776 1.00 0.00 O ATOM 425 CB MET A 26 -7.612 0.927 -1.486 1.00 0.00 C ATOM 426 CG MET A 26 -7.110 1.845 -0.362 1.00 0.00 C ATOM 427 SD MET A 26 -5.332 1.790 -0.129 1.00 0.00 S ATOM 428 CE MET A 26 -4.771 2.356 -1.726 1.00 0.00 C ATOM 0 H MET A 26 -7.057 -0.637 0.817 1.00 0.00 H new ATOM 0 HA MET A 26 -8.020 -1.134 -1.948 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.124 1.218 -2.416 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.681 1.095 -1.620 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.408 2.870 -0.582 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.599 1.564 0.571 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.730 2.067 -1.869 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.383 1.906 -2.507 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.857 3.441 -1.778 1.00 0.00 H new ATOM 438 N PHE A 27 -5.019 -1.099 -0.611 1.00 0.00 N ATOM 439 CA PHE A 27 -3.716 -1.777 -0.799 1.00 0.00 C ATOM 440 C PHE A 27 -3.307 -2.530 0.456 1.00 0.00 C ATOM 441 O PHE A 27 -3.703 -2.180 1.568 1.00 0.00 O ATOM 442 CB PHE A 27 -2.550 -0.821 -1.273 1.00 0.00 C ATOM 443 CG PHE A 27 -1.743 -0.029 -0.209 1.00 0.00 C ATOM 444 CD1 PHE A 27 -0.629 -0.584 0.437 1.00 0.00 C ATOM 445 CD2 PHE A 27 -2.069 1.279 0.102 1.00 0.00 C ATOM 446 CE1 PHE A 27 0.102 0.155 1.356 1.00 0.00 C ATOM 447 CE2 PHE A 27 -1.345 2.020 1.002 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.257 1.461 1.640 1.00 0.00 C ATOM 0 H PHE A 27 -5.153 -0.690 0.314 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.874 -2.484 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.841 -1.424 -1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.980 -0.097 -1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.336 -1.600 0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.922 1.732 -0.380 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.953 -0.290 1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.627 3.041 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.310 2.038 2.355 1.00 0.00 H new ATOM 458 N SER A 28 -2.488 -3.550 0.218 1.00 0.00 N ATOM 459 CA SER A 28 -1.719 -4.250 1.233 1.00 0.00 C ATOM 460 C SER A 28 -0.287 -4.311 0.699 1.00 0.00 C ATOM 461 O SER A 28 -0.073 -4.605 -0.487 1.00 0.00 O ATOM 462 CB SER A 28 -2.287 -5.656 1.525 1.00 0.00 C ATOM 463 OG SER A 28 -1.656 -6.232 2.661 1.00 0.00 O ATOM 0 H SER A 28 -2.339 -3.922 -0.720 1.00 0.00 H new ATOM 0 HA SER A 28 -1.763 -3.728 2.189 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.362 -5.590 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.140 -6.299 0.657 1.00 0.00 H new ATOM 0 HG SER A 28 -2.301 -6.295 3.396 1.00 0.00 H new ATOM 469 N SER A 29 0.685 -4.004 1.555 1.00 0.00 N ATOM 470 CA SER A 29 2.092 -3.878 1.162 1.00 0.00 C ATOM 471 C SER A 29 2.819 -5.203 1.418 1.00 0.00 C ATOM 472 O SER A 29 2.225 -6.163 1.914 1.00 0.00 O ATOM 473 CB SER A 29 2.726 -2.712 1.960 1.00 0.00 C ATOM 474 OG SER A 29 4.112 -2.574 1.722 1.00 0.00 O ATOM 0 H SER A 29 0.521 -3.834 2.547 1.00 0.00 H new ATOM 0 HA SER A 29 2.177 -3.657 0.098 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.223 -1.782 1.697 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.559 -2.874 3.025 1.00 0.00 H new ATOM 0 HG SER A 29 4.491 -1.932 2.358 1.00 0.00 H new ATOM 480 N GLU A 30 4.096 -5.253 1.038 1.00 0.00 N ATOM 481 CA GLU A 30 5.007 -6.368 1.370 1.00 0.00 C ATOM 482 C GLU A 30 5.732 -6.107 2.711 1.00 0.00 C ATOM 483 O GLU A 30 6.558 -6.916 3.142 1.00 0.00 O ATOM 484 CB GLU A 30 5.999 -6.645 0.188 1.00 0.00 C ATOM 485 CG GLU A 30 6.398 -5.434 -0.687 1.00 0.00 C ATOM 486 CD GLU A 30 7.131 -4.320 0.066 1.00 0.00 C ATOM 487 OE1 GLU A 30 8.334 -4.486 0.350 1.00 0.00 O ATOM 488 OE2 GLU A 30 6.510 -3.278 0.376 1.00 0.00 O ATOM 0 H GLU A 30 4.539 -4.518 0.486 1.00 0.00 H new ATOM 0 HA GLU A 30 4.418 -7.275 1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.909 -7.079 0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.553 -7.400 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.033 -5.784 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.499 -5.018 -1.141 1.00 0.00 H new ATOM 495 N GLY A 31 5.415 -4.962 3.346 1.00 0.00 N ATOM 496 CA GLY A 31 5.911 -4.626 4.691 1.00 0.00 C ATOM 497 C GLY A 31 7.248 -3.903 4.694 1.00 0.00 C ATOM 498 O GLY A 31 7.687 -3.427 5.751 1.00 0.00 O ATOM 0 H GLY A 31 4.810 -4.248 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.172 -4.003 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.004 -5.543 5.272 1.00 0.00 H new ATOM 502 N TYR A 32 7.896 -3.879 3.509 1.00 0.00 N ATOM 503 CA TYR A 32 9.168 -3.182 3.235 1.00 0.00 C ATOM 504 C TYR A 32 10.379 -3.982 3.772 1.00 0.00 C ATOM 505 O TYR A 32 11.269 -4.352 2.999 1.00 0.00 O ATOM 506 CB TYR A 32 9.142 -1.707 3.743 1.00 0.00 C ATOM 507 CG TYR A 32 10.389 -0.877 3.401 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.838 -0.771 2.084 1.00 0.00 C ATOM 509 CD2 TYR A 32 11.112 -0.201 4.389 1.00 0.00 C ATOM 510 CE1 TYR A 32 11.954 -0.033 1.772 1.00 0.00 C ATOM 511 CE2 TYR A 32 12.229 0.539 4.075 1.00 0.00 C ATOM 512 CZ TYR A 32 12.643 0.618 2.764 1.00 0.00 C ATOM 513 OH TYR A 32 13.749 1.356 2.440 1.00 0.00 O ATOM 0 H TYR A 32 7.533 -4.363 2.688 1.00 0.00 H new ATOM 0 HA TYR A 32 9.289 -3.127 2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 32 8.268 -1.210 3.323 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.015 -1.714 4.826 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.299 -1.278 1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.788 -0.261 5.417 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.289 0.035 0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.777 1.054 4.851 1.00 0.00 H new ATOM 0 HH TYR A 32 14.125 1.756 3.252 1.00 0.00 H new ATOM 523 N LYS A 33 10.396 -4.263 5.087 1.00 0.00 N ATOM 524 CA LYS A 33 11.474 -5.035 5.741 1.00 0.00 C ATOM 525 C LYS A 33 10.970 -5.628 7.073 1.00 0.00 C ATOM 526 O LYS A 33 10.970 -6.849 7.266 1.00 0.00 O ATOM 527 CB LYS A 33 12.722 -4.129 5.976 1.00 0.00 C ATOM 528 CG LYS A 33 13.895 -4.796 6.739 1.00 0.00 C ATOM 529 CD LYS A 33 14.485 -6.017 5.998 1.00 0.00 C ATOM 530 CE LYS A 33 15.559 -6.753 6.817 1.00 0.00 C ATOM 531 NZ LYS A 33 16.711 -5.876 7.159 1.00 0.00 N ATOM 0 H LYS A 33 9.663 -3.962 5.729 1.00 0.00 H new ATOM 0 HA LYS A 33 11.767 -5.857 5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.089 -3.787 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.408 -3.244 6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.683 -4.059 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.548 -5.109 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.681 -6.712 5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.918 -5.688 5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.113 -7.137 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.916 -7.614 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.423 -6.426 7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.134 -5.503 6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.382 -5.086 7.750 1.00 0.00 H new ATOM 545 N ALA A 34 10.538 -4.741 7.972 1.00 0.00 N ATOM 546 CA ALA A 34 10.100 -5.091 9.342 1.00 0.00 C ATOM 547 C ALA A 34 9.060 -4.055 9.801 1.00 0.00 C ATOM 548 O ALA A 34 8.648 -3.223 8.987 1.00 0.00 O ATOM 549 CB ALA A 34 11.317 -5.132 10.277 1.00 0.00 C ATOM 0 H ALA A 34 10.478 -3.742 7.774 1.00 0.00 H new ATOM 0 HA ALA A 34 9.639 -6.078 9.362 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.993 -5.390 11.285 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.024 -5.881 9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.799 -4.154 10.290 1.00 0.00 H new ATOM 555 N LYS A 35 8.630 -4.083 11.086 1.00 0.00 N ATOM 556 CA LYS A 35 7.598 -3.155 11.584 1.00 0.00 C ATOM 557 C LYS A 35 8.133 -1.714 11.658 1.00 0.00 C ATOM 558 O LYS A 35 7.465 -0.799 11.210 1.00 0.00 O ATOM 559 CB LYS A 35 7.072 -3.603 12.967 1.00 0.00 C ATOM 560 CG LYS A 35 6.130 -2.585 13.650 1.00 0.00 C ATOM 561 CD LYS A 35 5.714 -3.028 15.054 1.00 0.00 C ATOM 562 CE LYS A 35 5.124 -1.889 15.887 1.00 0.00 C ATOM 563 NZ LYS A 35 4.636 -2.377 17.196 1.00 0.00 N ATOM 0 H LYS A 35 8.982 -4.734 11.788 1.00 0.00 H new ATOM 0 HA LYS A 35 6.770 -3.175 10.876 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.543 -4.549 12.852 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.922 -3.790 13.623 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.627 -1.617 13.710 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.240 -2.449 13.036 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.981 -3.830 14.974 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.581 -3.439 15.572 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.880 -1.120 16.042 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.303 -1.424 15.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.758 -1.879 17.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.451 -3.399 17.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.356 -2.196 17.924 1.00 0.00 H new ATOM 577 N ALA A 36 9.329 -1.528 12.245 1.00 0.00 N ATOM 578 CA ALA A 36 9.979 -0.199 12.353 1.00 0.00 C ATOM 579 C ALA A 36 10.147 0.435 10.960 1.00 0.00 C ATOM 580 O ALA A 36 9.869 1.622 10.756 1.00 0.00 O ATOM 581 CB ALA A 36 11.336 -0.314 13.068 1.00 0.00 C ATOM 0 H ALA A 36 9.873 -2.286 12.657 1.00 0.00 H new ATOM 0 HA ALA A 36 9.337 0.450 12.948 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.796 0.672 13.137 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.186 -0.715 14.070 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.989 -0.980 12.504 1.00 0.00 H new ATOM 587 N SER A 37 10.550 -0.413 10.005 1.00 0.00 N ATOM 588 CA SER A 37 10.704 -0.050 8.593 1.00 0.00 C ATOM 589 C SER A 37 9.333 0.242 7.942 1.00 0.00 C ATOM 590 O SER A 37 9.247 1.038 7.003 1.00 0.00 O ATOM 591 CB SER A 37 11.403 -1.208 7.854 1.00 0.00 C ATOM 592 OG SER A 37 12.565 -1.643 8.547 1.00 0.00 O ATOM 0 H SER A 37 10.782 -1.388 10.197 1.00 0.00 H new ATOM 0 HA SER A 37 11.306 0.856 8.523 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.710 -2.042 7.745 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.676 -0.887 6.849 1.00 0.00 H new ATOM 0 HG SER A 37 13.320 -1.686 7.924 1.00 0.00 H new ATOM 598 N ALA A 38 8.276 -0.422 8.463 1.00 0.00 N ATOM 599 CA ALA A 38 6.894 -0.256 7.985 1.00 0.00 C ATOM 600 C ALA A 38 6.347 1.124 8.376 1.00 0.00 C ATOM 601 O ALA A 38 5.738 1.781 7.544 1.00 0.00 O ATOM 602 CB ALA A 38 5.977 -1.379 8.509 1.00 0.00 C ATOM 0 H ALA A 38 8.363 -1.089 9.229 1.00 0.00 H new ATOM 0 HA ALA A 38 6.908 -0.324 6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.964 -1.225 8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.348 -2.343 8.162 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.969 -1.364 9.599 1.00 0.00 H new ATOM 608 N ILE A 39 6.547 1.551 9.657 1.00 0.00 N ATOM 609 CA ILE A 39 6.209 2.925 10.115 1.00 0.00 C ATOM 610 C ILE A 39 6.915 3.978 9.244 1.00 0.00 C ATOM 611 O ILE A 39 6.261 4.882 8.737 1.00 0.00 O ATOM 612 CB ILE A 39 6.566 3.178 11.654 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.530 2.496 12.615 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.681 4.698 12.003 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.634 0.995 12.759 1.00 0.00 C ATOM 0 H ILE A 39 6.941 0.959 10.388 1.00 0.00 H new ATOM 0 HA ILE A 39 5.128 3.021 10.011 1.00 0.00 H new ATOM 0 HB ILE A 39 7.543 2.720 11.806 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.636 2.942 13.604 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.527 2.737 12.263 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.925 4.811 13.059 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.467 5.152 11.399 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.732 5.192 11.795 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.867 0.642 13.448 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.492 0.525 11.786 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.618 0.734 13.148 1.00 0.00 H new ATOM 627 N HIS A 40 8.245 3.833 9.077 1.00 0.00 N ATOM 628 CA HIS A 40 9.073 4.778 8.289 1.00 0.00 C ATOM 629 C HIS A 40 8.595 4.863 6.832 1.00 0.00 C ATOM 630 O HIS A 40 8.591 5.957 6.216 1.00 0.00 O ATOM 631 CB HIS A 40 10.581 4.407 8.372 1.00 0.00 C ATOM 632 CG HIS A 40 11.236 4.886 9.639 1.00 0.00 C ATOM 633 ND1 HIS A 40 12.146 5.921 9.661 1.00 0.00 N ATOM 634 CD2 HIS A 40 11.118 4.477 10.926 1.00 0.00 C ATOM 635 CE1 HIS A 40 12.541 6.136 10.896 1.00 0.00 C ATOM 636 NE2 HIS A 40 11.929 5.277 11.683 1.00 0.00 N ATOM 0 H HIS A 40 8.777 3.062 9.481 1.00 0.00 H new ATOM 0 HA HIS A 40 8.952 5.768 8.728 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.687 3.325 8.301 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.102 4.835 7.516 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.498 3.669 11.287 1.00 0.00 H new ATOM 0 HE1 HIS A 40 13.248 6.889 11.211 1.00 0.00 H new ATOM 0 HE2 HIS A 40 12.041 5.217 12.695 1.00 0.00 H new ATOM 645 N ALA A 41 8.162 3.712 6.290 1.00 0.00 N ATOM 646 CA ALA A 41 7.535 3.646 4.980 1.00 0.00 C ATOM 647 C ALA A 41 6.265 4.504 4.981 1.00 0.00 C ATOM 648 O ALA A 41 6.158 5.438 4.208 1.00 0.00 O ATOM 649 CB ALA A 41 7.243 2.182 4.599 1.00 0.00 C ATOM 0 H ALA A 41 8.242 2.808 6.756 1.00 0.00 H new ATOM 0 HA ALA A 41 8.212 4.044 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.774 2.149 3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.176 1.619 4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.572 1.741 5.336 1.00 0.00 H new ATOM 655 N ILE A 42 5.346 4.227 5.910 1.00 0.00 N ATOM 656 CA ILE A 42 4.088 4.990 6.064 1.00 0.00 C ATOM 657 C ILE A 42 4.359 6.497 6.290 1.00 0.00 C ATOM 658 O ILE A 42 3.548 7.339 5.902 1.00 0.00 O ATOM 659 CB ILE A 42 3.230 4.410 7.239 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.857 2.924 6.949 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.955 5.256 7.494 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.329 2.168 8.143 1.00 0.00 C ATOM 0 H ILE A 42 5.447 3.466 6.582 1.00 0.00 H new ATOM 0 HA ILE A 42 3.528 4.887 5.135 1.00 0.00 H new ATOM 0 HB ILE A 42 3.833 4.454 8.146 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.108 2.898 6.158 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.739 2.408 6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.388 4.820 8.316 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.241 6.276 7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.340 5.267 6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.095 1.144 7.851 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.083 2.158 8.930 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.426 2.655 8.512 1.00 0.00 H new ATOM 674 N GLU A 43 5.532 6.824 6.861 1.00 0.00 N ATOM 675 CA GLU A 43 5.926 8.219 7.106 1.00 0.00 C ATOM 676 C GLU A 43 6.108 8.970 5.783 1.00 0.00 C ATOM 677 O GLU A 43 5.834 10.169 5.727 1.00 0.00 O ATOM 678 CB GLU A 43 7.183 8.327 8.005 1.00 0.00 C ATOM 679 CG GLU A 43 6.926 7.907 9.471 1.00 0.00 C ATOM 680 CD GLU A 43 8.112 8.167 10.414 1.00 0.00 C ATOM 681 OE1 GLU A 43 9.033 7.330 10.475 1.00 0.00 O ATOM 682 OE2 GLU A 43 8.122 9.214 11.100 1.00 0.00 O ATOM 0 H GLU A 43 6.224 6.137 7.161 1.00 0.00 H new ATOM 0 HA GLU A 43 5.115 8.695 7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.973 7.702 7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.546 9.355 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.054 8.444 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.681 6.845 9.496 1.00 0.00 H new ATOM 689 N SER A 44 6.528 8.242 4.711 1.00 0.00 N ATOM 690 CA SER A 44 6.509 8.777 3.321 1.00 0.00 C ATOM 691 C SER A 44 5.125 9.289 2.933 1.00 0.00 C ATOM 692 O SER A 44 5.001 10.339 2.278 1.00 0.00 O ATOM 693 CB SER A 44 6.926 7.693 2.301 1.00 0.00 C ATOM 694 OG SER A 44 8.324 7.471 2.325 1.00 0.00 O ATOM 0 H SER A 44 6.882 7.288 4.783 1.00 0.00 H new ATOM 0 HA SER A 44 7.220 9.603 3.299 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.404 6.762 2.524 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.622 7.997 1.300 1.00 0.00 H new ATOM 0 HG SER A 44 8.701 7.662 1.441 1.00 0.00 H new ATOM 700 N ILE A 45 4.084 8.531 3.331 1.00 0.00 N ATOM 701 CA ILE A 45 2.715 8.833 2.935 1.00 0.00 C ATOM 702 C ILE A 45 2.272 10.123 3.641 1.00 0.00 C ATOM 703 O ILE A 45 1.691 11.021 3.022 1.00 0.00 O ATOM 704 CB ILE A 45 1.662 7.681 3.236 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.258 6.244 3.076 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.470 7.844 2.277 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.545 5.812 1.653 1.00 0.00 C ATOM 0 H ILE A 45 4.176 7.708 3.926 1.00 0.00 H new ATOM 0 HA ILE A 45 2.728 8.941 1.850 1.00 0.00 H new ATOM 0 HB ILE A 45 1.356 7.781 4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.184 6.188 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.565 5.530 3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.263 7.060 2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.008 8.819 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.819 7.768 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.955 4.802 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.621 5.827 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.266 6.495 1.204 1.00 0.00 H new ATOM 719 N LYS A 46 2.610 10.205 4.943 1.00 0.00 N ATOM 720 CA LYS A 46 2.235 11.333 5.835 1.00 0.00 C ATOM 721 C LYS A 46 2.800 12.677 5.363 1.00 0.00 C ATOM 722 O LYS A 46 2.250 13.738 5.685 1.00 0.00 O ATOM 723 CB LYS A 46 2.702 11.065 7.310 1.00 0.00 C ATOM 724 CG LYS A 46 2.507 9.618 7.843 1.00 0.00 C ATOM 725 CD LYS A 46 1.129 9.004 7.493 1.00 0.00 C ATOM 726 CE LYS A 46 -0.047 9.762 8.104 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.184 9.494 9.557 1.00 0.00 N ATOM 0 H LYS A 46 3.157 9.485 5.415 1.00 0.00 H new ATOM 0 HA LYS A 46 1.147 11.395 5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.760 11.317 7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.164 11.747 7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.292 8.982 7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.629 9.620 8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.014 8.983 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.103 7.970 7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.088 10.832 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.967 9.477 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.170 9.651 9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.083 8.508 9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.440 10.135 10.088 1.00 0.00 H new ATOM 741 N ARG A 47 3.903 12.598 4.615 1.00 0.00 N ATOM 742 CA ARG A 47 4.631 13.781 4.104 1.00 0.00 C ATOM 743 C ARG A 47 3.738 14.624 3.168 1.00 0.00 C ATOM 744 O ARG A 47 3.340 15.737 3.522 1.00 0.00 O ATOM 745 CB ARG A 47 5.947 13.376 3.368 1.00 0.00 C ATOM 746 CG ARG A 47 6.996 12.652 4.234 1.00 0.00 C ATOM 747 CD ARG A 47 7.489 13.490 5.432 1.00 0.00 C ATOM 748 NE ARG A 47 8.140 14.740 5.008 1.00 0.00 N ATOM 749 CZ ARG A 47 9.135 15.373 5.653 1.00 0.00 C ATOM 750 NH1 ARG A 47 9.621 14.907 6.789 1.00 0.00 N ATOM 751 NH2 ARG A 47 9.619 16.493 5.156 1.00 0.00 N ATOM 0 H ARG A 47 4.325 11.711 4.341 1.00 0.00 H new ATOM 0 HA ARG A 47 4.900 14.387 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.689 12.732 2.527 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.402 14.275 2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.569 11.720 4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.850 12.387 3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.645 13.724 6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.190 12.900 6.022 1.00 0.00 H new ATOM 0 HE ARG A 47 7.805 15.166 4.144 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.241 14.051 7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.376 15.403 7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.239 16.873 4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.374 16.981 5.638 1.00 0.00 H new ATOM 765 N ASN A 48 3.388 14.058 1.992 1.00 0.00 N ATOM 766 CA ASN A 48 2.744 14.827 0.894 1.00 0.00 C ATOM 767 C ASN A 48 2.121 13.880 -0.164 1.00 0.00 C ATOM 768 O ASN A 48 1.830 14.294 -1.281 1.00 0.00 O ATOM 769 CB ASN A 48 3.788 15.799 0.253 1.00 0.00 C ATOM 770 CG ASN A 48 3.172 16.913 -0.614 1.00 0.00 C ATOM 771 OD1 ASN A 48 3.007 16.768 -1.823 1.00 0.00 O ATOM 772 ND2 ASN A 48 2.822 18.031 0.005 1.00 0.00 N ATOM 0 H ASN A 48 3.539 13.073 1.775 1.00 0.00 H new ATOM 0 HA ASN A 48 1.927 15.419 1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.376 16.257 1.048 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.478 15.219 -0.359 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.405 18.797 -0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.970 18.125 1.010 1.00 0.00 H new ATOM 779 N SER A 49 1.912 12.607 0.204 1.00 0.00 N ATOM 780 CA SER A 49 1.466 11.551 -0.739 1.00 0.00 C ATOM 781 C SER A 49 0.067 11.822 -1.328 1.00 0.00 C ATOM 782 O SER A 49 -0.218 11.438 -2.471 1.00 0.00 O ATOM 783 CB SER A 49 1.467 10.211 -0.024 1.00 0.00 C ATOM 784 OG SER A 49 1.176 9.136 -0.881 1.00 0.00 O ATOM 0 H SER A 49 2.045 12.274 1.159 1.00 0.00 H new ATOM 0 HA SER A 49 2.166 11.545 -1.575 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.442 10.050 0.435 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.735 10.235 0.783 1.00 0.00 H new ATOM 0 HG SER A 49 1.239 9.434 -1.812 1.00 0.00 H new ATOM 790 N ALA A 50 -0.798 12.473 -0.530 1.00 0.00 N ATOM 791 CA ALA A 50 -2.116 12.942 -0.985 1.00 0.00 C ATOM 792 C ALA A 50 -1.989 13.950 -2.149 1.00 0.00 C ATOM 793 O ALA A 50 -2.852 14.010 -3.025 1.00 0.00 O ATOM 794 CB ALA A 50 -2.899 13.542 0.194 1.00 0.00 C ATOM 0 H ALA A 50 -0.602 12.688 0.448 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.671 12.085 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.873 13.886 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.036 12.783 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.344 14.383 0.609 1.00 0.00 H new ATOM 800 N GLY A 51 -0.880 14.712 -2.150 1.00 0.00 N ATOM 801 CA GLY A 51 -0.572 15.669 -3.216 1.00 0.00 C ATOM 802 C GLY A 51 0.499 15.182 -4.188 1.00 0.00 C ATOM 803 O GLY A 51 0.854 15.918 -5.111 1.00 0.00 O ATOM 0 H GLY A 51 -0.177 14.678 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.484 15.885 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.243 16.606 -2.767 1.00 0.00 H new ATOM 807 N ALA A 52 1.027 13.952 -3.978 1.00 0.00 N ATOM 808 CA ALA A 52 1.986 13.307 -4.912 1.00 0.00 C ATOM 809 C ALA A 52 1.345 13.056 -6.286 1.00 0.00 C ATOM 810 O ALA A 52 0.129 13.104 -6.422 1.00 0.00 O ATOM 811 CB ALA A 52 2.530 11.992 -4.322 1.00 0.00 C ATOM 0 H ALA A 52 0.803 13.381 -3.163 1.00 0.00 H new ATOM 0 HA ALA A 52 2.821 13.993 -5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.230 11.540 -5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.043 12.199 -3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.703 11.305 -4.140 1.00 0.00 H new ATOM 817 N ASP A 53 2.165 12.811 -7.309 1.00 0.00 N ATOM 818 CA ASP A 53 1.666 12.502 -8.663 1.00 0.00 C ATOM 819 C ASP A 53 1.396 10.991 -8.797 1.00 0.00 C ATOM 820 O ASP A 53 1.884 10.197 -7.995 1.00 0.00 O ATOM 821 CB ASP A 53 2.670 13.011 -9.731 1.00 0.00 C ATOM 822 CG ASP A 53 2.175 12.815 -11.179 1.00 0.00 C ATOM 823 OD1 ASP A 53 1.046 13.261 -11.501 1.00 0.00 O ATOM 824 OD2 ASP A 53 2.891 12.205 -11.993 1.00 0.00 O ATOM 0 H ASP A 53 3.182 12.819 -7.232 1.00 0.00 H new ATOM 0 HA ASP A 53 0.721 13.019 -8.829 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.864 14.070 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.619 12.489 -9.605 1.00 0.00 H new ATOM 829 N THR A 54 0.555 10.608 -9.764 1.00 0.00 N ATOM 830 CA THR A 54 0.265 9.199 -10.073 1.00 0.00 C ATOM 831 C THR A 54 0.669 8.890 -11.535 1.00 0.00 C ATOM 832 O THR A 54 -0.011 9.297 -12.482 1.00 0.00 O ATOM 833 CB THR A 54 -1.247 8.903 -9.796 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.562 9.290 -8.439 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.618 7.425 -10.006 1.00 0.00 C ATOM 0 H THR A 54 0.053 11.268 -10.358 1.00 0.00 H new ATOM 0 HA THR A 54 0.851 8.543 -9.430 1.00 0.00 H new ATOM 0 HB THR A 54 -1.829 9.482 -10.514 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.877 8.941 -7.832 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.679 7.283 -9.799 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.409 7.140 -11.037 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.030 6.803 -9.331 1.00 0.00 H new ATOM 843 N VAL A 55 1.818 8.203 -11.694 1.00 0.00 N ATOM 844 CA VAL A 55 2.397 7.848 -13.009 1.00 0.00 C ATOM 845 C VAL A 55 2.037 6.394 -13.372 1.00 0.00 C ATOM 846 O VAL A 55 2.192 5.497 -12.534 1.00 0.00 O ATOM 847 CB VAL A 55 3.966 7.974 -13.011 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.551 7.822 -14.439 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.436 9.283 -12.348 1.00 0.00 C ATOM 0 H VAL A 55 2.377 7.875 -10.906 1.00 0.00 H new ATOM 0 HA VAL A 55 1.981 8.545 -13.737 1.00 0.00 H new ATOM 0 HB VAL A 55 4.352 7.150 -12.411 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.636 7.915 -14.399 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.285 6.844 -14.839 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.144 8.601 -15.084 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.525 9.331 -12.370 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.024 10.134 -12.890 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.092 9.311 -11.314 1.00 0.00 H new ATOM 859 N ASP A 56 1.583 6.179 -14.621 1.00 0.00 N ATOM 860 CA ASP A 56 1.324 4.839 -15.187 1.00 0.00 C ATOM 861 C ASP A 56 2.468 4.435 -16.146 1.00 0.00 C ATOM 862 O ASP A 56 2.610 4.985 -17.238 1.00 0.00 O ATOM 863 CB ASP A 56 -0.061 4.794 -15.899 1.00 0.00 C ATOM 864 CG ASP A 56 -0.244 5.852 -17.008 1.00 0.00 C ATOM 865 OD1 ASP A 56 -0.417 7.044 -16.677 1.00 0.00 O ATOM 866 OD2 ASP A 56 -0.217 5.499 -18.211 1.00 0.00 O ATOM 0 H ASP A 56 1.383 6.937 -15.273 1.00 0.00 H new ATOM 0 HA ASP A 56 1.293 4.115 -14.373 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.201 3.804 -16.332 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.844 4.929 -15.153 1.00 0.00 H new ATOM 871 N LEU A 57 3.322 3.517 -15.684 1.00 0.00 N ATOM 872 CA LEU A 57 4.455 2.974 -16.455 1.00 0.00 C ATOM 873 C LEU A 57 4.004 1.880 -17.451 1.00 0.00 C ATOM 874 O LEU A 57 4.563 1.770 -18.543 1.00 0.00 O ATOM 875 CB LEU A 57 5.521 2.384 -15.478 1.00 0.00 C ATOM 876 CG LEU A 57 6.362 3.384 -14.605 1.00 0.00 C ATOM 877 CD1 LEU A 57 5.488 4.348 -13.777 1.00 0.00 C ATOM 878 CD2 LEU A 57 7.326 2.603 -13.684 1.00 0.00 C ATOM 0 H LEU A 57 3.248 3.120 -14.747 1.00 0.00 H new ATOM 0 HA LEU A 57 4.886 3.793 -17.031 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.010 1.700 -14.801 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.218 1.788 -16.067 1.00 0.00 H new ATOM 0 HG LEU A 57 6.934 4.003 -15.296 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.128 5.012 -13.197 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.864 4.940 -14.447 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.853 3.774 -13.102 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.904 3.305 -13.083 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.752 1.950 -13.027 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.003 2.002 -14.291 1.00 0.00 H new ATOM 890 N THR A 58 2.960 1.117 -17.085 1.00 0.00 N ATOM 891 CA THR A 58 2.588 -0.132 -17.797 1.00 0.00 C ATOM 892 C THR A 58 1.644 0.142 -18.981 1.00 0.00 C ATOM 893 O THR A 58 1.459 -0.719 -19.843 1.00 0.00 O ATOM 894 CB THR A 58 1.935 -1.162 -16.808 1.00 0.00 C ATOM 895 OG1 THR A 58 1.637 -2.414 -17.455 1.00 0.00 O ATOM 896 CG2 THR A 58 0.667 -0.607 -16.127 1.00 0.00 C ATOM 0 H THR A 58 2.352 1.339 -16.297 1.00 0.00 H new ATOM 0 HA THR A 58 3.507 -0.560 -18.198 1.00 0.00 H new ATOM 0 HB THR A 58 2.680 -1.340 -16.033 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.456 -2.256 -18.405 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.256 -1.360 -15.454 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.921 0.288 -15.559 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.074 -0.356 -16.886 1.00 0.00 H new ATOM 904 N THR A 59 1.097 1.364 -19.049 1.00 0.00 N ATOM 905 CA THR A 59 0.035 1.732 -20.011 1.00 0.00 C ATOM 906 C THR A 59 0.438 3.010 -20.770 1.00 0.00 C ATOM 907 O THR A 59 -0.401 3.680 -21.370 1.00 0.00 O ATOM 908 CB THR A 59 -1.348 1.914 -19.279 1.00 0.00 C ATOM 909 OG1 THR A 59 -1.168 2.681 -18.085 1.00 0.00 O ATOM 910 CG2 THR A 59 -2.015 0.579 -18.910 1.00 0.00 C ATOM 0 H THR A 59 1.376 2.132 -18.438 1.00 0.00 H new ATOM 0 HA THR A 59 -0.083 0.924 -20.733 1.00 0.00 H new ATOM 0 HB THR A 59 -2.004 2.429 -19.981 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.866 3.584 -18.318 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.963 0.772 -18.409 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.195 -0.000 -19.816 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.360 0.017 -18.244 1.00 0.00 H new ATOM 918 N MET A 60 1.751 3.314 -20.770 1.00 0.00 N ATOM 919 CA MET A 60 2.308 4.481 -21.471 1.00 0.00 C ATOM 920 C MET A 60 3.588 4.055 -22.203 1.00 0.00 C ATOM 921 O MET A 60 3.616 3.982 -23.437 1.00 0.00 O ATOM 922 CB MET A 60 2.583 5.638 -20.471 1.00 0.00 C ATOM 923 CG MET A 60 2.955 6.974 -21.131 1.00 0.00 C ATOM 924 SD MET A 60 1.659 7.583 -22.247 1.00 0.00 S ATOM 925 CE MET A 60 0.256 7.756 -21.136 1.00 0.00 C ATOM 0 H MET A 60 2.452 2.756 -20.283 1.00 0.00 H new ATOM 0 HA MET A 60 1.589 4.852 -22.202 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.697 5.786 -19.854 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.391 5.340 -19.803 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.142 7.718 -20.357 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.884 6.854 -21.689 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.514 8.361 -21.614 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.149 6.771 -20.905 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.579 8.241 -20.215 1.00 0.00 H new ATOM 935 N THR A 61 4.633 3.728 -21.421 1.00 0.00 N ATOM 936 CA THR A 61 5.927 3.279 -21.951 1.00 0.00 C ATOM 937 C THR A 61 6.015 1.743 -21.863 1.00 0.00 C ATOM 938 O THR A 61 6.046 1.181 -20.765 1.00 0.00 O ATOM 939 CB THR A 61 7.110 3.945 -21.170 1.00 0.00 C ATOM 940 OG1 THR A 61 6.959 3.708 -19.762 1.00 0.00 O ATOM 941 CG2 THR A 61 7.187 5.466 -21.418 1.00 0.00 C ATOM 0 H THR A 61 4.601 3.769 -20.402 1.00 0.00 H new ATOM 0 HA THR A 61 6.005 3.582 -22.995 1.00 0.00 H new ATOM 0 HB THR A 61 8.033 3.495 -21.536 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.506 2.850 -19.621 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.022 5.884 -20.856 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.334 5.654 -22.481 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.259 5.935 -21.092 1.00 0.00 H new ATOM 949 N ALA A 62 6.043 1.077 -23.021 1.00 0.00 N ATOM 950 CA ALA A 62 6.066 -0.389 -23.106 1.00 0.00 C ATOM 951 C ALA A 62 6.829 -0.810 -24.382 1.00 0.00 C ATOM 952 O ALA A 62 8.044 -1.068 -24.295 1.00 0.00 O ATOM 953 CB ALA A 62 4.623 -0.952 -23.062 1.00 0.00 C ATOM 954 OXT ALA A 62 6.227 -0.839 -25.477 1.00 0.00 O ATOM 0 H ALA A 62 6.050 1.540 -23.930 1.00 0.00 H new ATOM 0 HA ALA A 62 6.591 -0.809 -22.248 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.655 -2.040 -23.126 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.146 -0.657 -22.127 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.052 -0.556 -23.902 1.00 0.00 H new TER 960 ALA A 62 ATOM 961 N MET B 1 10.043 14.668 -8.389 1.00 0.00 N ATOM 962 CA MET B 1 9.002 14.504 -7.343 1.00 0.00 C ATOM 963 C MET B 1 8.767 13.019 -7.063 1.00 0.00 C ATOM 964 O MET B 1 8.907 12.178 -7.967 1.00 0.00 O ATOM 965 CB MET B 1 7.671 15.158 -7.796 1.00 0.00 C ATOM 966 CG MET B 1 6.604 15.338 -6.717 1.00 0.00 C ATOM 967 SD MET B 1 5.107 16.082 -7.418 1.00 0.00 S ATOM 968 CE MET B 1 4.062 16.316 -5.985 1.00 0.00 C ATOM 0 H1 MET B 1 9.814 15.492 -8.980 1.00 0.00 H new ATOM 0 H2 MET B 1 10.969 14.812 -7.938 1.00 0.00 H new ATOM 0 H3 MET B 1 10.076 13.815 -8.983 1.00 0.00 H new ATOM 0 HA MET B 1 9.350 14.994 -6.434 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.897 16.136 -8.220 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.248 14.553 -8.598 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.363 14.373 -6.272 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.991 15.970 -5.917 1.00 0.00 H new ATOM 0 HE1 MET B 1 3.045 16.002 -6.221 1.00 0.00 H new ATOM 0 HE2 MET B 1 4.443 15.720 -5.156 1.00 0.00 H new ATOM 0 HE3 MET B 1 4.061 17.369 -5.704 1.00 0.00 H new ATOM 978 N TYR B 2 8.406 12.691 -5.814 1.00 0.00 N ATOM 979 CA TYR B 2 7.947 11.342 -5.475 1.00 0.00 C ATOM 980 C TYR B 2 6.483 11.169 -5.876 1.00 0.00 C ATOM 981 O TYR B 2 5.675 12.108 -5.801 1.00 0.00 O ATOM 982 CB TYR B 2 8.192 10.988 -3.998 1.00 0.00 C ATOM 983 CG TYR B 2 7.789 12.021 -2.936 1.00 0.00 C ATOM 984 CD1 TYR B 2 8.676 13.015 -2.546 1.00 0.00 C ATOM 985 CD2 TYR B 2 6.564 11.960 -2.286 1.00 0.00 C ATOM 986 CE1 TYR B 2 8.356 13.915 -1.554 1.00 0.00 C ATOM 987 CE2 TYR B 2 6.237 12.852 -1.283 1.00 0.00 C ATOM 988 CZ TYR B 2 7.140 13.829 -0.923 1.00 0.00 C ATOM 989 OH TYR B 2 6.821 14.729 0.064 1.00 0.00 O ATOM 0 H TYR B 2 8.424 13.340 -5.027 1.00 0.00 H new ATOM 0 HA TYR B 2 8.544 10.632 -6.048 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.659 10.062 -3.783 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.255 10.780 -3.876 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.638 13.084 -3.031 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.852 11.199 -2.570 1.00 0.00 H new ATOM 0 HE1 TYR B 2 9.059 14.685 -1.274 1.00 0.00 H new ATOM 0 HE2 TYR B 2 5.281 12.784 -0.785 1.00 0.00 H new ATOM 0 HH TYR B 2 7.272 15.581 -0.112 1.00 0.00 H new ATOM 999 N LYS B 3 6.165 9.944 -6.285 1.00 0.00 N ATOM 1000 CA LYS B 3 4.947 9.629 -7.026 1.00 0.00 C ATOM 1001 C LYS B 3 4.641 8.123 -6.956 1.00 0.00 C ATOM 1002 O LYS B 3 5.414 7.338 -6.383 1.00 0.00 O ATOM 1003 CB LYS B 3 5.043 10.160 -8.511 1.00 0.00 C ATOM 1004 CG LYS B 3 6.412 10.006 -9.241 1.00 0.00 C ATOM 1005 CD LYS B 3 6.861 8.542 -9.451 1.00 0.00 C ATOM 1006 CE LYS B 3 8.121 8.431 -10.322 1.00 0.00 C ATOM 1007 NZ LYS B 3 9.262 9.179 -9.747 1.00 0.00 N ATOM 0 H LYS B 3 6.754 9.131 -6.109 1.00 0.00 H new ATOM 0 HA LYS B 3 4.107 10.144 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.286 9.645 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.780 11.218 -8.508 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.350 10.497 -10.212 1.00 0.00 H new ATOM 0 HG3 LYS B 3 7.177 10.529 -8.667 1.00 0.00 H new ATOM 0 HD2 LYS B 3 7.052 8.082 -8.482 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.051 7.980 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.394 7.382 -10.432 1.00 0.00 H new ATOM 0 HE3 LYS B 3 7.906 8.810 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 10.117 8.995 -10.310 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 9.051 10.197 -9.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.421 8.871 -8.767 1.00 0.00 H new ATOM 1021 N PHE B 4 3.504 7.747 -7.553 1.00 0.00 N ATOM 1022 CA PHE B 4 3.017 6.364 -7.606 1.00 0.00 C ATOM 1023 C PHE B 4 3.335 5.752 -8.971 1.00 0.00 C ATOM 1024 O PHE B 4 2.816 6.199 -10.002 1.00 0.00 O ATOM 1025 CB PHE B 4 1.496 6.322 -7.340 1.00 0.00 C ATOM 1026 CG PHE B 4 1.116 6.851 -5.961 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.113 5.999 -4.858 1.00 0.00 C ATOM 1028 CD2 PHE B 4 0.769 8.194 -5.764 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.775 6.467 -3.610 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.432 8.655 -4.515 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.435 7.792 -3.446 1.00 0.00 C ATOM 0 H PHE B 4 2.885 8.408 -8.022 1.00 0.00 H new ATOM 0 HA PHE B 4 3.519 5.782 -6.833 1.00 0.00 H new ATOM 0 HB2 PHE B 4 0.983 6.909 -8.102 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.144 5.295 -7.439 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.379 4.960 -4.985 1.00 0.00 H new ATOM 0 HD2 PHE B 4 0.766 8.874 -6.603 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.776 5.799 -2.762 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.166 9.692 -4.374 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.168 8.157 -2.465 1.00 0.00 H new ATOM 1041 N GLU B 5 4.191 4.730 -8.970 1.00 0.00 N ATOM 1042 CA GLU B 5 4.588 4.027 -10.191 1.00 0.00 C ATOM 1043 C GLU B 5 3.680 2.819 -10.389 1.00 0.00 C ATOM 1044 O GLU B 5 3.729 1.870 -9.594 1.00 0.00 O ATOM 1045 CB GLU B 5 6.070 3.589 -10.124 1.00 0.00 C ATOM 1046 CG GLU B 5 7.051 4.763 -9.991 1.00 0.00 C ATOM 1047 CD GLU B 5 8.524 4.365 -10.161 1.00 0.00 C ATOM 1048 OE1 GLU B 5 8.960 3.384 -9.528 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.264 5.056 -10.887 1.00 0.00 O ATOM 0 H GLU B 5 4.629 4.366 -8.124 1.00 0.00 H new ATOM 0 HA GLU B 5 4.485 4.703 -11.040 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.204 2.916 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.314 3.022 -11.022 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.801 5.519 -10.735 1.00 0.00 H new ATOM 0 HG3 GLU B 5 6.920 5.224 -9.012 1.00 0.00 H new ATOM 1056 N ILE B 6 2.850 2.865 -11.446 1.00 0.00 N ATOM 1057 CA ILE B 6 1.895 1.806 -11.770 1.00 0.00 C ATOM 1058 C ILE B 6 2.497 0.980 -12.895 1.00 0.00 C ATOM 1059 O ILE B 6 2.600 1.444 -14.033 1.00 0.00 O ATOM 1060 CB ILE B 6 0.516 2.378 -12.260 1.00 0.00 C ATOM 1061 CG1 ILE B 6 -0.041 3.401 -11.230 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.498 1.223 -12.534 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.178 4.251 -11.751 1.00 0.00 C ATOM 0 H ILE B 6 2.828 3.647 -12.101 1.00 0.00 H new ATOM 0 HA ILE B 6 1.710 1.217 -10.872 1.00 0.00 H new ATOM 0 HB ILE B 6 0.669 2.904 -13.202 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.382 2.861 -10.347 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.770 4.056 -10.910 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.445 1.643 -12.872 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.098 0.563 -13.304 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.659 0.655 -11.618 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.507 4.937 -10.970 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.839 4.822 -12.616 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.009 3.608 -12.043 1.00 0.00 H new ATOM 1075 N TYR B 7 2.891 -0.225 -12.574 1.00 0.00 N ATOM 1076 CA TYR B 7 3.453 -1.156 -13.539 1.00 0.00 C ATOM 1077 C TYR B 7 2.769 -2.510 -13.374 1.00 0.00 C ATOM 1078 O TYR B 7 1.837 -2.655 -12.581 1.00 0.00 O ATOM 1079 CB TYR B 7 4.996 -1.247 -13.370 1.00 0.00 C ATOM 1080 CG TYR B 7 5.470 -1.803 -12.024 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.469 -1.007 -10.880 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.917 -3.123 -11.897 1.00 0.00 C ATOM 1083 CE1 TYR B 7 5.895 -1.505 -9.675 1.00 0.00 C ATOM 1084 CE2 TYR B 7 6.344 -3.618 -10.687 1.00 0.00 C ATOM 1085 CZ TYR B 7 6.330 -2.808 -9.579 1.00 0.00 C ATOM 1086 OH TYR B 7 6.757 -3.304 -8.369 1.00 0.00 O ATOM 0 H TYR B 7 2.833 -0.599 -11.627 1.00 0.00 H new ATOM 0 HA TYR B 7 3.271 -0.804 -14.554 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.397 -1.874 -14.166 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.420 -0.252 -13.504 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.128 0.016 -10.943 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.927 -3.765 -12.765 1.00 0.00 H new ATOM 0 HE1 TYR B 7 5.889 -0.873 -8.799 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.688 -4.639 -10.609 1.00 0.00 H new ATOM 0 HH TYR B 7 7.029 -4.239 -8.476 1.00 0.00 H new ATOM 1096 N GLN B 8 3.193 -3.474 -14.173 1.00 0.00 N ATOM 1097 CA GLN B 8 2.904 -4.893 -13.926 1.00 0.00 C ATOM 1098 C GLN B 8 4.236 -5.647 -13.851 1.00 0.00 C ATOM 1099 O GLN B 8 5.203 -5.309 -14.548 1.00 0.00 O ATOM 1100 CB GLN B 8 1.934 -5.491 -14.993 1.00 0.00 C ATOM 1101 CG GLN B 8 2.570 -6.069 -16.265 1.00 0.00 C ATOM 1102 CD GLN B 8 1.545 -6.274 -17.381 1.00 0.00 C ATOM 1103 OE1 GLN B 8 0.867 -7.413 -17.374 1.00 0.00 O flip ATOM 1104 NE2 GLN B 8 1.328 -5.391 -18.216 1.00 0.00 N flip ATOM 0 H GLN B 8 3.747 -3.305 -15.012 1.00 0.00 H new ATOM 0 HA GLN B 8 2.378 -5.000 -12.977 1.00 0.00 H new ATOM 0 HB2 GLN B 8 1.351 -6.279 -14.517 1.00 0.00 H new ATOM 0 HB3 GLN B 8 1.233 -4.711 -15.289 1.00 0.00 H new ATOM 0 HG2 GLN B 8 3.355 -5.398 -16.614 1.00 0.00 H new ATOM 0 HG3 GLN B 8 3.045 -7.022 -16.031 1.00 0.00 H new ATOM 0 HE21 GLN B 8 1.867 -4.525 -18.195 1.00 0.00 H new ATOM 0 HE22 GLN B 8 0.610 -5.527 -18.927 1.00 0.00 H new ATOM 1113 N ASP B 9 4.278 -6.629 -12.966 1.00 0.00 N ATOM 1114 CA ASP B 9 5.449 -7.449 -12.702 1.00 0.00 C ATOM 1115 C ASP B 9 5.574 -8.499 -13.810 1.00 0.00 C ATOM 1116 O ASP B 9 4.577 -8.798 -14.469 1.00 0.00 O ATOM 1117 CB ASP B 9 5.292 -8.099 -11.294 1.00 0.00 C ATOM 1118 CG ASP B 9 6.463 -9.008 -10.891 1.00 0.00 C ATOM 1119 OD1 ASP B 9 7.471 -8.496 -10.366 1.00 0.00 O ATOM 1120 OD2 ASP B 9 6.382 -10.235 -11.105 1.00 0.00 O ATOM 0 H ASP B 9 3.473 -6.886 -12.394 1.00 0.00 H new ATOM 0 HA ASP B 9 6.362 -6.853 -12.700 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.186 -7.309 -10.550 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.370 -8.681 -11.275 1.00 0.00 H new ATOM 1125 N LYS B 10 6.802 -9.046 -13.980 1.00 0.00 N ATOM 1126 CA LYS B 10 7.148 -10.113 -14.961 1.00 0.00 C ATOM 1127 C LYS B 10 6.128 -11.287 -14.977 1.00 0.00 C ATOM 1128 O LYS B 10 5.874 -11.893 -16.018 1.00 0.00 O ATOM 1129 CB LYS B 10 8.625 -10.599 -14.742 1.00 0.00 C ATOM 1130 CG LYS B 10 9.054 -10.934 -13.281 1.00 0.00 C ATOM 1131 CD LYS B 10 8.551 -12.297 -12.739 1.00 0.00 C ATOM 1132 CE LYS B 10 9.085 -13.503 -13.529 1.00 0.00 C ATOM 1133 NZ LYS B 10 8.559 -14.786 -13.003 1.00 0.00 N ATOM 0 H LYS B 10 7.605 -8.751 -13.424 1.00 0.00 H new ATOM 0 HA LYS B 10 7.082 -9.673 -15.956 1.00 0.00 H new ATOM 0 HB2 LYS B 10 8.783 -11.488 -15.353 1.00 0.00 H new ATOM 0 HB3 LYS B 10 9.295 -9.828 -15.123 1.00 0.00 H new ATOM 0 HG2 LYS B 10 10.143 -10.920 -13.227 1.00 0.00 H new ATOM 0 HG3 LYS B 10 8.692 -10.144 -12.623 1.00 0.00 H new ATOM 0 HD2 LYS B 10 8.847 -12.396 -11.695 1.00 0.00 H new ATOM 0 HD3 LYS B 10 7.461 -12.310 -12.764 1.00 0.00 H new ATOM 0 HE2 LYS B 10 8.809 -13.401 -14.578 1.00 0.00 H new ATOM 0 HE3 LYS B 10 10.174 -13.512 -13.485 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 8.943 -15.574 -13.563 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 8.844 -14.896 -12.009 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 7.521 -14.788 -13.068 1.00 0.00 H new ATOM 1147 N ALA B 11 5.551 -11.572 -13.794 1.00 0.00 N ATOM 1148 CA ALA B 11 4.519 -12.622 -13.590 1.00 0.00 C ATOM 1149 C ALA B 11 3.111 -12.178 -14.098 1.00 0.00 C ATOM 1150 O ALA B 11 2.118 -12.882 -13.881 1.00 0.00 O ATOM 1151 CB ALA B 11 4.477 -12.989 -12.095 1.00 0.00 C ATOM 0 H ALA B 11 5.789 -11.075 -12.936 1.00 0.00 H new ATOM 0 HA ALA B 11 4.792 -13.497 -14.181 1.00 0.00 H new ATOM 0 HB1 ALA B 11 3.723 -13.759 -11.930 1.00 0.00 H new ATOM 0 HB2 ALA B 11 5.452 -13.364 -11.785 1.00 0.00 H new ATOM 0 HB3 ALA B 11 4.225 -12.104 -11.510 1.00 0.00 H new ATOM 1157 N GLY B 12 3.063 -11.030 -14.805 1.00 0.00 N ATOM 1158 CA GLY B 12 1.821 -10.413 -15.278 1.00 0.00 C ATOM 1159 C GLY B 12 0.967 -9.862 -14.146 1.00 0.00 C ATOM 1160 O GLY B 12 -0.248 -9.736 -14.289 1.00 0.00 O ATOM 0 H GLY B 12 3.899 -10.505 -15.063 1.00 0.00 H new ATOM 0 HA2 GLY B 12 2.062 -9.607 -15.970 1.00 0.00 H new ATOM 0 HA3 GLY B 12 1.244 -11.150 -15.836 1.00 0.00 H new ATOM 1164 N GLU B 13 1.620 -9.500 -13.027 1.00 0.00 N ATOM 1165 CA GLU B 13 0.921 -9.086 -11.788 1.00 0.00 C ATOM 1166 C GLU B 13 1.009 -7.568 -11.621 1.00 0.00 C ATOM 1167 O GLU B 13 2.069 -7.068 -11.275 1.00 0.00 O ATOM 1168 CB GLU B 13 1.539 -9.783 -10.547 1.00 0.00 C ATOM 1169 CG GLU B 13 1.385 -11.308 -10.515 1.00 0.00 C ATOM 1170 CD GLU B 13 1.760 -11.898 -9.151 1.00 0.00 C ATOM 1171 OE1 GLU B 13 2.964 -12.043 -8.863 1.00 0.00 O ATOM 1172 OE2 GLU B 13 0.850 -12.193 -8.344 1.00 0.00 O ATOM 0 H GLU B 13 2.637 -9.485 -12.952 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.124 -9.383 -11.870 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.601 -9.539 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.080 -9.368 -9.650 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.355 -11.573 -10.753 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.014 -11.752 -11.287 1.00 0.00 H new ATOM 1179 N TYR B 14 -0.084 -6.841 -11.911 1.00 0.00 N ATOM 1180 CA TYR B 14 -0.149 -5.381 -11.682 1.00 0.00 C ATOM 1181 C TYR B 14 0.194 -5.014 -10.224 1.00 0.00 C ATOM 1182 O TYR B 14 -0.315 -5.613 -9.284 1.00 0.00 O ATOM 1183 CB TYR B 14 -1.521 -4.796 -12.120 1.00 0.00 C ATOM 1184 CG TYR B 14 -1.676 -4.761 -13.645 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -1.210 -3.669 -14.384 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -2.236 -5.828 -14.350 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -1.304 -3.645 -15.760 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -2.334 -5.800 -15.726 1.00 0.00 C ATOM 1189 CZ TYR B 14 -1.865 -4.709 -16.424 1.00 0.00 C ATOM 1190 OH TYR B 14 -1.961 -4.682 -17.797 1.00 0.00 O ATOM 0 H TYR B 14 -0.937 -7.238 -12.305 1.00 0.00 H new ATOM 0 HA TYR B 14 0.613 -4.920 -12.311 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.323 -5.394 -11.689 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.627 -3.787 -11.723 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -0.769 -2.829 -13.868 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -2.599 -6.690 -13.809 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -0.938 -2.793 -16.313 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -2.777 -6.631 -16.254 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.380 -5.510 -18.112 1.00 0.00 H new ATOM 1200 N ARG B 15 1.132 -4.063 -10.105 1.00 0.00 N ATOM 1201 CA ARG B 15 1.708 -3.557 -8.841 1.00 0.00 C ATOM 1202 C ARG B 15 1.802 -2.030 -8.929 1.00 0.00 C ATOM 1203 O ARG B 15 2.193 -1.494 -9.966 1.00 0.00 O ATOM 1204 CB ARG B 15 3.150 -4.135 -8.563 1.00 0.00 C ATOM 1205 CG ARG B 15 3.228 -5.401 -7.680 1.00 0.00 C ATOM 1206 CD ARG B 15 2.722 -6.661 -8.375 1.00 0.00 C ATOM 1207 NE ARG B 15 2.521 -7.775 -7.439 1.00 0.00 N ATOM 1208 CZ ARG B 15 1.354 -8.401 -7.222 1.00 0.00 C ATOM 1209 NH1 ARG B 15 0.274 -8.100 -7.934 1.00 0.00 N ATOM 1210 NH2 ARG B 15 1.275 -9.346 -6.302 1.00 0.00 N ATOM 0 H ARG B 15 1.531 -3.602 -10.922 1.00 0.00 H new ATOM 0 HA ARG B 15 1.059 -3.876 -8.025 1.00 0.00 H new ATOM 0 HB2 ARG B 15 3.618 -4.358 -9.522 1.00 0.00 H new ATOM 0 HB3 ARG B 15 3.746 -3.353 -8.092 1.00 0.00 H new ATOM 0 HG2 ARG B 15 4.262 -5.556 -7.372 1.00 0.00 H new ATOM 0 HG3 ARG B 15 2.646 -5.238 -6.773 1.00 0.00 H new ATOM 0 HD2 ARG B 15 1.782 -6.441 -8.881 1.00 0.00 H new ATOM 0 HD3 ARG B 15 3.435 -6.960 -9.143 1.00 0.00 H new ATOM 0 HE ARG B 15 3.333 -8.098 -6.912 1.00 0.00 H new ATOM 0 HH11 ARG B 15 0.324 -7.384 -8.658 1.00 0.00 H new ATOM 0 HH12 ARG B 15 -0.605 -8.585 -7.756 1.00 0.00 H new ATOM 0 HH21 ARG B 15 2.100 -9.599 -5.758 1.00 0.00 H new ATOM 0 HH22 ARG B 15 0.389 -9.823 -6.136 1.00 0.00 H new ATOM 1224 N PHE B 16 1.466 -1.340 -7.835 1.00 0.00 N ATOM 1225 CA PHE B 16 1.715 0.100 -7.702 1.00 0.00 C ATOM 1226 C PHE B 16 2.545 0.349 -6.443 1.00 0.00 C ATOM 1227 O PHE B 16 2.253 -0.201 -5.372 1.00 0.00 O ATOM 1228 CB PHE B 16 0.396 0.922 -7.710 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.639 0.578 -6.628 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -1.585 -0.424 -6.836 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -0.698 1.294 -5.426 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -2.549 -0.705 -5.887 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -1.658 1.005 -4.476 1.00 0.00 C ATOM 1234 CZ PHE B 16 -2.586 0.011 -4.711 1.00 0.00 C ATOM 0 H PHE B 16 1.017 -1.760 -7.021 1.00 0.00 H new ATOM 0 HA PHE B 16 2.280 0.444 -8.568 1.00 0.00 H new ATOM 0 HB2 PHE B 16 0.652 1.977 -7.612 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -0.076 0.797 -8.684 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -1.564 -0.991 -7.755 1.00 0.00 H new ATOM 0 HD2 PHE B 16 0.016 2.082 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -3.273 -1.486 -6.067 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -1.682 1.557 -3.548 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.343 -0.206 -3.971 1.00 0.00 H new ATOM 1244 N ARG B 17 3.613 1.135 -6.599 1.00 0.00 N ATOM 1245 CA ARG B 17 4.533 1.493 -5.512 1.00 0.00 C ATOM 1246 C ARG B 17 4.427 2.989 -5.218 1.00 0.00 C ATOM 1247 O ARG B 17 3.844 3.744 -6.004 1.00 0.00 O ATOM 1248 CB ARG B 17 6.001 1.167 -5.909 1.00 0.00 C ATOM 1249 CG ARG B 17 6.269 -0.285 -6.321 1.00 0.00 C ATOM 1250 CD ARG B 17 7.750 -0.554 -6.662 1.00 0.00 C ATOM 1251 NE ARG B 17 8.232 0.241 -7.820 1.00 0.00 N ATOM 1252 CZ ARG B 17 9.112 -0.195 -8.746 1.00 0.00 C ATOM 1253 NH1 ARG B 17 9.609 -1.414 -8.686 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.483 0.585 -9.737 1.00 0.00 N ATOM 0 H ARG B 17 3.868 1.548 -7.496 1.00 0.00 H new ATOM 0 HA ARG B 17 4.260 0.915 -4.629 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.289 1.819 -6.734 1.00 0.00 H new ATOM 0 HB3 ARG B 17 6.649 1.413 -5.068 1.00 0.00 H new ATOM 0 HG2 ARG B 17 5.962 -0.948 -5.512 1.00 0.00 H new ATOM 0 HG3 ARG B 17 5.653 -0.531 -7.186 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.365 -0.327 -5.791 1.00 0.00 H new ATOM 0 HD3 ARG B 17 7.881 -1.615 -6.877 1.00 0.00 H new ATOM 0 HE ARG B 17 7.870 1.189 -7.924 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.330 -2.042 -7.933 1.00 0.00 H new ATOM 0 HH12 ARG B 17 10.273 -1.729 -9.393 1.00 0.00 H new ATOM 0 HH21 ARG B 17 9.105 1.530 -9.811 1.00 0.00 H new ATOM 0 HH22 ARG B 17 10.149 0.246 -10.431 1.00 0.00 H new ATOM 1268 N PHE B 18 5.038 3.409 -4.106 1.00 0.00 N ATOM 1269 CA PHE B 18 5.220 4.830 -3.786 1.00 0.00 C ATOM 1270 C PHE B 18 6.711 5.074 -3.555 1.00 0.00 C ATOM 1271 O PHE B 18 7.391 4.297 -2.863 1.00 0.00 O ATOM 1272 CB PHE B 18 4.388 5.245 -2.557 1.00 0.00 C ATOM 1273 CG PHE B 18 4.431 6.727 -2.203 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.318 7.704 -3.190 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.563 7.137 -0.883 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.330 9.037 -2.862 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.573 8.467 -0.555 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.462 9.418 -1.543 1.00 0.00 C ATOM 0 H PHE B 18 5.420 2.776 -3.403 1.00 0.00 H new ATOM 0 HA PHE B 18 4.866 5.442 -4.616 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.350 4.961 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.735 4.674 -1.696 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.220 7.409 -4.224 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.659 6.396 -0.103 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.236 9.786 -3.635 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.668 8.769 0.478 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.478 10.467 -1.285 1.00 0.00 H new ATOM 1288 N LYS B 19 7.196 6.148 -4.170 1.00 0.00 N ATOM 1289 CA LYS B 19 8.612 6.489 -4.238 1.00 0.00 C ATOM 1290 C LYS B 19 8.966 7.600 -3.239 1.00 0.00 C ATOM 1291 O LYS B 19 8.117 8.062 -2.467 1.00 0.00 O ATOM 1292 CB LYS B 19 8.943 6.906 -5.700 1.00 0.00 C ATOM 1293 CG LYS B 19 8.657 5.786 -6.726 1.00 0.00 C ATOM 1294 CD LYS B 19 9.504 4.513 -6.438 1.00 0.00 C ATOM 1295 CE LYS B 19 10.993 4.695 -6.787 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.245 4.562 -8.241 1.00 0.00 N ATOM 0 H LYS B 19 6.599 6.823 -4.647 1.00 0.00 H new ATOM 0 HA LYS B 19 9.215 5.624 -3.961 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.359 7.789 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.994 7.189 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.597 5.532 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.874 6.148 -7.731 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.412 4.252 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.101 3.677 -7.010 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.327 5.676 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.584 3.955 -6.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.191 4.157 -8.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.528 3.937 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.193 5.499 -8.689 1.00 0.00 H new ATOM 1310 N ALA B 20 10.242 8.002 -3.276 1.00 0.00 N ATOM 1311 CA ALA B 20 10.788 9.123 -2.504 1.00 0.00 C ATOM 1312 C ALA B 20 11.614 10.005 -3.459 1.00 0.00 C ATOM 1313 O ALA B 20 11.977 9.550 -4.551 1.00 0.00 O ATOM 1314 CB ALA B 20 11.618 8.623 -1.316 1.00 0.00 C ATOM 0 H ALA B 20 10.942 7.544 -3.860 1.00 0.00 H new ATOM 0 HA ALA B 20 9.979 9.717 -2.078 1.00 0.00 H new ATOM 0 HB1 ALA B 20 12.010 9.476 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA B 20 10.989 8.022 -0.660 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.446 8.015 -1.681 1.00 0.00 H new ATOM 1320 N SER B 21 11.840 11.275 -3.065 1.00 0.00 N ATOM 1321 CA SER B 21 12.591 12.287 -3.863 1.00 0.00 C ATOM 1322 C SER B 21 13.954 11.767 -4.414 1.00 0.00 C ATOM 1323 O SER B 21 14.385 12.166 -5.503 1.00 0.00 O ATOM 1324 CB SER B 21 12.832 13.549 -2.999 1.00 0.00 C ATOM 1325 OG SER B 21 11.617 14.042 -2.454 1.00 0.00 O ATOM 0 H SER B 21 11.505 11.639 -2.173 1.00 0.00 H new ATOM 0 HA SER B 21 11.973 12.518 -4.731 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.525 13.313 -2.192 1.00 0.00 H new ATOM 0 HB3 SER B 21 13.301 14.323 -3.606 1.00 0.00 H new ATOM 0 HG SER B 21 11.801 14.838 -1.912 1.00 0.00 H new ATOM 1331 N ASN B 22 14.606 10.861 -3.655 1.00 0.00 N ATOM 1332 CA ASN B 22 15.933 10.284 -4.010 1.00 0.00 C ATOM 1333 C ASN B 22 15.813 9.047 -4.934 1.00 0.00 C ATOM 1334 O ASN B 22 16.806 8.351 -5.172 1.00 0.00 O ATOM 1335 CB ASN B 22 16.700 9.888 -2.715 1.00 0.00 C ATOM 1336 CG ASN B 22 16.959 11.044 -1.743 1.00 0.00 C ATOM 1337 OD1 ASN B 22 17.048 12.207 -2.139 1.00 0.00 O ATOM 1338 ND2 ASN B 22 17.092 10.727 -0.460 1.00 0.00 N ATOM 0 H ASN B 22 14.232 10.504 -2.776 1.00 0.00 H new ATOM 0 HA ASN B 22 16.481 11.052 -4.556 1.00 0.00 H new ATOM 0 HB2 ASN B 22 16.133 9.115 -2.196 1.00 0.00 H new ATOM 0 HB3 ASN B 22 17.656 9.447 -2.996 1.00 0.00 H new ATOM 0 HD21 ASN B 22 17.273 11.457 0.229 1.00 0.00 H new ATOM 0 HD22 ASN B 22 17.013 9.754 -0.164 1.00 0.00 H new ATOM 1345 N GLY B 23 14.600 8.791 -5.458 1.00 0.00 N ATOM 1346 CA GLY B 23 14.313 7.599 -6.271 1.00 0.00 C ATOM 1347 C GLY B 23 14.172 6.323 -5.441 1.00 0.00 C ATOM 1348 O GLY B 23 14.161 5.220 -5.994 1.00 0.00 O ATOM 0 H GLY B 23 13.795 9.404 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.393 7.763 -6.832 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.112 7.464 -7.000 1.00 0.00 H new ATOM 1352 N GLU B 24 14.063 6.493 -4.116 1.00 0.00 N ATOM 1353 CA GLU B 24 13.879 5.385 -3.161 1.00 0.00 C ATOM 1354 C GLU B 24 12.429 4.883 -3.204 1.00 0.00 C ATOM 1355 O GLU B 24 11.546 5.610 -3.627 1.00 0.00 O ATOM 1356 CB GLU B 24 14.245 5.869 -1.735 1.00 0.00 C ATOM 1357 CG GLU B 24 15.726 6.256 -1.554 1.00 0.00 C ATOM 1358 CD GLU B 24 16.680 5.050 -1.647 1.00 0.00 C ATOM 1359 OE1 GLU B 24 16.761 4.280 -0.665 1.00 0.00 O ATOM 1360 OE2 GLU B 24 17.342 4.855 -2.692 1.00 0.00 O ATOM 0 H GLU B 24 14.100 7.410 -3.671 1.00 0.00 H new ATOM 0 HA GLU B 24 14.534 4.558 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.624 6.730 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU B 24 13.998 5.082 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU B 24 16.000 6.988 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU B 24 15.854 6.739 -0.585 1.00 0.00 H new ATOM 1367 N THR B 25 12.202 3.630 -2.792 1.00 0.00 N ATOM 1368 CA THR B 25 10.847 3.057 -2.663 1.00 0.00 C ATOM 1369 C THR B 25 10.615 2.664 -1.195 1.00 0.00 C ATOM 1370 O THR B 25 11.568 2.332 -0.475 1.00 0.00 O ATOM 1371 CB THR B 25 10.650 1.812 -3.594 1.00 0.00 C ATOM 1372 OG1 THR B 25 11.155 2.098 -4.904 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.168 1.390 -3.705 1.00 0.00 C ATOM 0 H THR B 25 12.948 2.982 -2.538 1.00 0.00 H new ATOM 0 HA THR B 25 10.120 3.808 -2.973 1.00 0.00 H new ATOM 0 HB THR B 25 11.201 0.986 -3.145 1.00 0.00 H new ATOM 0 HG1 THR B 25 11.031 1.315 -5.481 1.00 0.00 H new ATOM 0 HG21 THR B 25 9.085 0.523 -4.361 1.00 0.00 H new ATOM 0 HG22 THR B 25 8.787 1.135 -2.716 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.585 2.214 -4.117 1.00 0.00 H new ATOM 1381 N MET B 26 9.349 2.708 -0.764 1.00 0.00 N ATOM 1382 CA MET B 26 8.956 2.446 0.631 1.00 0.00 C ATOM 1383 C MET B 26 7.826 1.397 0.723 1.00 0.00 C ATOM 1384 O MET B 26 7.745 0.673 1.721 1.00 0.00 O ATOM 1385 CB MET B 26 8.603 3.786 1.324 1.00 0.00 C ATOM 1386 CG MET B 26 7.728 4.735 0.495 1.00 0.00 C ATOM 1387 SD MET B 26 6.101 4.072 0.126 1.00 0.00 S ATOM 1388 CE MET B 26 5.446 3.871 1.772 1.00 0.00 C ATOM 0 H MET B 26 8.562 2.927 -1.374 1.00 0.00 H new ATOM 0 HA MET B 26 9.797 2.004 1.166 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.090 3.569 2.261 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.529 4.300 1.579 1.00 0.00 H new ATOM 0 HG2 MET B 26 7.614 5.675 1.034 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.239 4.963 -0.440 1.00 0.00 H new ATOM 0 HE1 MET B 26 4.631 3.148 1.753 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.233 3.513 2.436 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.073 4.829 2.135 1.00 0.00 H new ATOM 1398 N PHE B 27 6.940 1.311 -0.299 1.00 0.00 N ATOM 1399 CA PHE B 27 6.007 0.166 -0.424 1.00 0.00 C ATOM 1400 C PHE B 27 5.849 -0.251 -1.875 1.00 0.00 C ATOM 1401 O PHE B 27 6.015 0.551 -2.796 1.00 0.00 O ATOM 1402 CB PHE B 27 4.595 0.404 0.240 1.00 0.00 C ATOM 1403 CG PHE B 27 3.479 1.104 -0.581 1.00 0.00 C ATOM 1404 CD1 PHE B 27 2.626 0.386 -1.430 1.00 0.00 C ATOM 1405 CD2 PHE B 27 3.256 2.461 -0.460 1.00 0.00 C ATOM 1406 CE1 PHE B 27 1.610 1.026 -2.125 1.00 0.00 C ATOM 1407 CE2 PHE B 27 2.256 3.102 -1.145 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.425 2.389 -1.983 1.00 0.00 C ATOM 0 H PHE B 27 6.852 2.009 -1.038 1.00 0.00 H new ATOM 0 HA PHE B 27 6.469 -0.645 0.140 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.212 -0.567 0.552 1.00 0.00 H new ATOM 0 HB3 PHE B 27 4.753 0.990 1.145 1.00 0.00 H new ATOM 0 HD1 PHE B 27 2.761 -0.679 -1.545 1.00 0.00 H new ATOM 0 HD2 PHE B 27 3.891 3.037 0.197 1.00 0.00 H new ATOM 0 HE1 PHE B 27 0.963 0.459 -2.778 1.00 0.00 H new ATOM 0 HE2 PHE B 27 2.119 4.167 -1.028 1.00 0.00 H new ATOM 0 HZ PHE B 27 0.636 2.891 -2.524 1.00 0.00 H new ATOM 1418 N SER B 28 5.504 -1.526 -2.019 1.00 0.00 N ATOM 1419 CA SER B 28 5.001 -2.125 -3.245 1.00 0.00 C ATOM 1420 C SER B 28 3.729 -2.875 -2.858 1.00 0.00 C ATOM 1421 O SER B 28 3.709 -3.579 -1.835 1.00 0.00 O ATOM 1422 CB SER B 28 6.042 -3.070 -3.892 1.00 0.00 C ATOM 1423 OG SER B 28 5.589 -3.548 -5.151 1.00 0.00 O ATOM 0 H SER B 28 5.571 -2.195 -1.252 1.00 0.00 H new ATOM 0 HA SER B 28 4.796 -1.362 -3.996 1.00 0.00 H new ATOM 0 HB2 SER B 28 6.987 -2.542 -4.019 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.235 -3.913 -3.228 1.00 0.00 H new ATOM 0 HG SER B 28 6.266 -4.141 -5.539 1.00 0.00 H new ATOM 1429 N SER B 29 2.669 -2.716 -3.651 1.00 0.00 N ATOM 1430 CA SER B 29 1.345 -3.262 -3.331 1.00 0.00 C ATOM 1431 C SER B 29 1.164 -4.615 -4.035 1.00 0.00 C ATOM 1432 O SER B 29 2.049 -5.070 -4.763 1.00 0.00 O ATOM 1433 CB SER B 29 0.259 -2.248 -3.769 1.00 0.00 C ATOM 1434 OG SER B 29 -1.054 -2.745 -3.556 1.00 0.00 O ATOM 0 H SER B 29 2.702 -2.206 -4.534 1.00 0.00 H new ATOM 0 HA SER B 29 1.252 -3.425 -2.257 1.00 0.00 H new ATOM 0 HB2 SER B 29 0.388 -1.318 -3.216 1.00 0.00 H new ATOM 0 HB3 SER B 29 0.390 -2.011 -4.825 1.00 0.00 H new ATOM 0 HG SER B 29 -1.706 -2.121 -3.937 1.00 0.00 H new ATOM 1440 N GLU B 30 0.018 -5.259 -3.792 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.389 -6.482 -4.508 1.00 0.00 C ATOM 1442 C GLU B 30 -1.237 -6.110 -5.752 1.00 0.00 C ATOM 1443 O GLU B 30 -1.740 -6.990 -6.460 1.00 0.00 O ATOM 1444 CB GLU B 30 -1.186 -7.416 -3.560 1.00 0.00 C ATOM 1445 CG GLU B 30 -0.629 -7.507 -2.130 1.00 0.00 C ATOM 1446 CD GLU B 30 -1.478 -8.416 -1.237 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -2.608 -8.016 -0.889 1.00 0.00 O ATOM 1448 OE2 GLU B 30 -1.049 -9.537 -0.906 1.00 0.00 O ATOM 0 H GLU B 30 -0.658 -4.950 -3.093 1.00 0.00 H new ATOM 0 HA GLU B 30 0.502 -7.013 -4.843 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -2.218 -7.068 -3.512 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -1.207 -8.417 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU B 30 0.393 -7.884 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -0.586 -6.509 -1.694 1.00 0.00 H new ATOM 1455 N GLY B 31 -1.415 -4.789 -5.980 1.00 0.00 N ATOM 1456 CA GLY B 31 -2.089 -4.257 -7.175 1.00 0.00 C ATOM 1457 C GLY B 31 -3.603 -4.140 -7.041 1.00 0.00 C ATOM 1458 O GLY B 31 -4.256 -3.559 -7.923 1.00 0.00 O ATOM 0 H GLY B 31 -1.093 -4.065 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -1.679 -3.273 -7.401 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.860 -4.901 -8.024 1.00 0.00 H new ATOM 1462 N TYR B 32 -4.136 -4.743 -5.957 1.00 0.00 N ATOM 1463 CA TYR B 32 -5.557 -4.711 -5.562 1.00 0.00 C ATOM 1464 C TYR B 32 -6.402 -5.698 -6.407 1.00 0.00 C ATOM 1465 O TYR B 32 -7.042 -6.597 -5.849 1.00 0.00 O ATOM 1466 CB TYR B 32 -6.139 -3.264 -5.578 1.00 0.00 C ATOM 1467 CG TYR B 32 -7.561 -3.153 -5.011 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -7.862 -3.656 -3.738 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -8.597 -2.571 -5.743 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -9.135 -3.578 -3.228 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -9.874 -2.493 -5.232 1.00 0.00 C ATOM 1472 CZ TYR B 32 -10.133 -2.998 -3.976 1.00 0.00 C ATOM 1473 OH TYR B 32 -11.398 -2.918 -3.458 1.00 0.00 O ATOM 0 H TYR B 32 -3.565 -5.286 -5.309 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.613 -5.049 -4.527 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -5.479 -2.612 -5.005 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -6.139 -2.895 -6.604 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -7.080 -4.112 -3.149 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -8.394 -2.175 -6.727 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -9.351 -3.970 -2.245 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -10.665 -2.040 -5.811 1.00 0.00 H new ATOM 0 HH TYR B 32 -11.990 -2.481 -4.106 1.00 0.00 H new ATOM 1483 N LYS B 33 -6.390 -5.532 -7.742 1.00 0.00 N ATOM 1484 CA LYS B 33 -7.132 -6.409 -8.677 1.00 0.00 C ATOM 1485 C LYS B 33 -6.521 -6.319 -10.092 1.00 0.00 C ATOM 1486 O LYS B 33 -6.061 -7.319 -10.652 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.635 -6.007 -8.691 1.00 0.00 C ATOM 1488 CG LYS B 33 -9.533 -6.767 -9.693 1.00 0.00 C ATOM 1489 CD LYS B 33 -9.599 -8.283 -9.419 1.00 0.00 C ATOM 1490 CE LYS B 33 -10.518 -9.023 -10.407 1.00 0.00 C ATOM 1491 NZ LYS B 33 -10.535 -10.482 -10.154 1.00 0.00 N ATOM 0 H LYS B 33 -5.868 -4.789 -8.206 1.00 0.00 H new ATOM 0 HA LYS B 33 -7.053 -7.443 -8.342 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -9.039 -6.154 -7.689 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.703 -4.941 -8.909 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.541 -6.353 -9.655 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -9.159 -6.603 -10.704 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.595 -8.703 -9.478 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.955 -8.450 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -11.531 -8.628 -10.327 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -10.182 -8.835 -11.427 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -11.165 -10.946 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -9.573 -10.863 -10.255 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -10.879 -10.663 -9.190 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.515 -5.098 -10.641 1.00 0.00 N ATOM 1506 CA ALA B 34 -6.058 -4.807 -12.018 1.00 0.00 C ATOM 1507 C ALA B 34 -5.523 -3.369 -12.063 1.00 0.00 C ATOM 1508 O ALA B 34 -5.404 -2.740 -11.003 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.218 -5.011 -13.007 1.00 0.00 C ATOM 0 H ALA B 34 -6.831 -4.268 -10.139 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.257 -5.488 -12.307 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -6.875 -4.795 -14.019 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.565 -6.043 -12.953 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -8.037 -4.339 -12.750 1.00 0.00 H new ATOM 1515 N LYS B 35 -5.198 -2.824 -13.269 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.624 -1.467 -13.383 1.00 0.00 C ATOM 1517 C LYS B 35 -5.666 -0.393 -13.041 1.00 0.00 C ATOM 1518 O LYS B 35 -5.371 0.515 -12.286 1.00 0.00 O ATOM 1519 CB LYS B 35 -3.984 -1.233 -14.792 1.00 0.00 C ATOM 1520 CG LYS B 35 -4.918 -1.346 -16.035 1.00 0.00 C ATOM 1521 CD LYS B 35 -5.537 0.009 -16.488 1.00 0.00 C ATOM 1522 CE LYS B 35 -6.534 -0.157 -17.651 1.00 0.00 C ATOM 1523 NZ LYS B 35 -5.890 -0.714 -18.865 1.00 0.00 N ATOM 0 H LYS B 35 -5.324 -3.302 -14.161 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.821 -1.383 -12.651 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.536 -0.239 -14.797 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -3.172 -1.949 -14.916 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -4.352 -1.770 -16.864 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -5.724 -2.044 -15.809 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -6.044 0.474 -15.642 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -4.739 0.686 -16.792 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -7.347 -0.813 -17.340 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -6.977 0.810 -17.888 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -6.576 -0.729 -19.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -5.077 -0.122 -19.130 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -5.564 -1.682 -18.672 1.00 0.00 H new ATOM 1537 N ALA B 36 -6.887 -0.510 -13.603 1.00 0.00 N ATOM 1538 CA ALA B 36 -7.997 0.437 -13.334 1.00 0.00 C ATOM 1539 C ALA B 36 -8.305 0.492 -11.831 1.00 0.00 C ATOM 1540 O ALA B 36 -8.476 1.567 -11.250 1.00 0.00 O ATOM 1541 CB ALA B 36 -9.248 0.036 -14.136 1.00 0.00 C ATOM 0 H ALA B 36 -7.134 -1.257 -14.252 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.691 1.433 -13.653 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -10.054 0.740 -13.929 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -9.018 0.052 -15.201 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.559 -0.968 -13.847 1.00 0.00 H new ATOM 1547 N SER B 37 -8.300 -0.700 -11.215 1.00 0.00 N ATOM 1548 CA SER B 37 -8.494 -0.882 -9.772 1.00 0.00 C ATOM 1549 C SER B 37 -7.304 -0.311 -8.972 1.00 0.00 C ATOM 1550 O SER B 37 -7.474 0.118 -7.831 1.00 0.00 O ATOM 1551 CB SER B 37 -8.653 -2.385 -9.481 1.00 0.00 C ATOM 1552 OG SER B 37 -9.582 -2.985 -10.369 1.00 0.00 O ATOM 0 H SER B 37 -8.159 -1.577 -11.715 1.00 0.00 H new ATOM 0 HA SER B 37 -9.389 -0.342 -9.463 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.686 -2.880 -9.573 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.986 -2.526 -8.453 1.00 0.00 H new ATOM 0 HG SER B 37 -10.134 -3.630 -9.879 1.00 0.00 H new ATOM 1558 N ALA B 38 -6.106 -0.326 -9.601 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.868 0.192 -9.005 1.00 0.00 C ATOM 1560 C ALA B 38 -4.916 1.727 -8.909 1.00 0.00 C ATOM 1561 O ALA B 38 -4.555 2.270 -7.874 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.623 -0.273 -9.788 1.00 0.00 C ATOM 0 H ALA B 38 -5.978 -0.701 -10.541 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.788 -0.215 -7.997 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.726 0.130 -9.318 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.577 -1.362 -9.785 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.685 0.084 -10.816 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.338 2.421 -10.002 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.579 3.887 -9.991 1.00 0.00 C ATOM 1570 C ILE B 39 -6.585 4.265 -8.886 1.00 0.00 C ATOM 1571 O ILE B 39 -6.299 5.148 -8.081 1.00 0.00 O ATOM 1572 CB ILE B 39 -6.089 4.443 -11.402 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.927 4.549 -12.454 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.804 5.822 -11.273 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.381 3.242 -12.990 1.00 0.00 C ATOM 0 H ILE B 39 -5.518 1.983 -10.905 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.616 4.356 -9.786 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.814 3.712 -11.759 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.283 5.142 -13.297 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -4.105 5.102 -12.000 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -7.131 6.156 -12.258 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.669 5.723 -10.617 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -6.112 6.553 -10.853 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.585 3.447 -13.706 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -3.984 2.648 -12.166 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.180 2.689 -13.484 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.748 3.578 -8.863 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.829 3.849 -7.884 1.00 0.00 C ATOM 1589 C HIS B 40 -8.328 3.643 -6.444 1.00 0.00 C ATOM 1590 O HIS B 40 -8.696 4.399 -5.518 1.00 0.00 O ATOM 1591 CB HIS B 40 -10.079 2.974 -8.165 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.817 3.331 -9.432 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -11.216 4.612 -9.730 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -11.207 2.573 -10.483 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -11.827 4.621 -10.894 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -11.832 3.400 -11.380 1.00 0.00 N ATOM 0 H HIS B 40 -7.965 2.825 -9.516 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.124 4.892 -7.996 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.772 1.930 -8.220 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.765 3.061 -7.322 1.00 0.00 H new ATOM 0 HD1 HIS B 40 -11.062 5.429 -9.139 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -11.054 1.510 -10.595 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -12.255 5.490 -11.372 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.453 2.637 -6.259 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.778 2.406 -4.991 1.00 0.00 C ATOM 1607 C ALA B 41 -5.932 3.637 -4.634 1.00 0.00 C ATOM 1608 O ALA B 41 -6.147 4.245 -3.604 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.930 1.122 -5.059 1.00 0.00 C ATOM 0 H ALA B 41 -7.202 1.970 -6.988 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.515 2.260 -4.201 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.432 0.964 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.575 0.271 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -5.182 1.221 -5.846 1.00 0.00 H new ATOM 1615 N ILE B 42 -5.035 4.038 -5.539 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.176 5.227 -5.360 1.00 0.00 C ATOM 1617 C ILE B 42 -5.013 6.507 -5.124 1.00 0.00 C ATOM 1618 O ILE B 42 -4.564 7.425 -4.440 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.233 5.414 -6.597 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.305 4.172 -6.757 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.398 6.713 -6.494 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.596 4.089 -8.084 1.00 0.00 C ATOM 0 H ILE B 42 -4.878 3.550 -6.421 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.567 5.061 -4.472 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.860 5.504 -7.484 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.560 4.186 -5.961 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.900 3.269 -6.620 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.758 6.804 -7.371 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.067 7.572 -6.442 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.781 6.678 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -0.973 3.195 -8.108 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.331 4.040 -8.887 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.970 4.971 -8.218 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.252 6.525 -5.642 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.160 7.665 -5.476 1.00 0.00 C ATOM 1636 C GLU B 43 -7.532 7.837 -3.999 1.00 0.00 C ATOM 1637 O GLU B 43 -7.732 8.966 -3.555 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.420 7.543 -6.362 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.179 7.793 -7.861 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.473 7.760 -8.688 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.387 8.569 -8.407 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -9.594 6.936 -9.613 1.00 0.00 O ATOM 0 H GLU B 43 -6.647 5.756 -6.183 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.632 8.559 -5.809 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.840 6.545 -6.237 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.168 8.251 -6.005 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.696 8.762 -7.990 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.490 7.040 -8.244 1.00 0.00 H new ATOM 1649 N SER B 44 -7.587 6.708 -3.240 1.00 0.00 N ATOM 1650 CA SER B 44 -7.703 6.741 -1.755 1.00 0.00 C ATOM 1651 C SER B 44 -6.600 7.596 -1.128 1.00 0.00 C ATOM 1652 O SER B 44 -6.849 8.351 -0.174 1.00 0.00 O ATOM 1653 CB SER B 44 -7.602 5.319 -1.160 1.00 0.00 C ATOM 1654 OG SER B 44 -8.775 4.563 -1.408 1.00 0.00 O ATOM 0 H SER B 44 -7.553 5.767 -3.631 1.00 0.00 H new ATOM 0 HA SER B 44 -8.677 7.174 -1.528 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.741 4.806 -1.588 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.432 5.385 -0.085 1.00 0.00 H new ATOM 0 HG SER B 44 -9.176 4.292 -0.556 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.372 7.454 -1.672 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.200 8.115 -1.106 1.00 0.00 C ATOM 1662 C ILE B 45 -4.323 9.626 -1.344 1.00 0.00 C ATOM 1663 O ILE B 45 -4.092 10.434 -0.439 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.806 7.600 -1.672 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.809 6.069 -2.013 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.722 7.884 -0.619 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -2.865 5.141 -0.818 1.00 0.00 C ATOM 0 H ILE B 45 -5.178 6.888 -2.498 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.192 7.869 -0.044 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.609 8.129 -2.604 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.663 5.858 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -1.912 5.840 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.757 7.538 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.674 8.956 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -1.966 7.360 0.305 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.863 4.106 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -1.997 5.315 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.775 5.333 -0.250 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.746 9.979 -2.573 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.875 11.381 -3.041 1.00 0.00 C ATOM 1681 C LYS B 46 -5.883 12.190 -2.215 1.00 0.00 C ATOM 1682 O LYS B 46 -5.807 13.421 -2.158 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.285 11.439 -4.551 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.617 10.401 -5.491 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.102 10.204 -5.247 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.285 11.462 -5.477 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.229 11.827 -6.913 1.00 0.00 N ATOM 0 H LYS B 46 -5.012 9.294 -3.280 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.891 11.831 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.366 11.312 -4.616 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.058 12.436 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.120 9.442 -5.370 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -4.769 10.713 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -2.948 9.862 -4.224 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -2.735 9.416 -5.905 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.718 12.286 -4.909 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.273 11.312 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.429 12.471 -7.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -2.104 10.968 -7.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -3.115 12.298 -7.186 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.829 11.465 -1.610 1.00 0.00 N ATOM 1702 CA ARG B 47 -7.922 12.060 -0.812 1.00 0.00 C ATOM 1703 C ARG B 47 -7.364 12.843 0.398 1.00 0.00 C ATOM 1704 O ARG B 47 -7.439 14.076 0.431 1.00 0.00 O ATOM 1705 CB ARG B 47 -8.946 10.980 -0.329 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.655 10.179 -1.446 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.367 11.052 -2.499 1.00 0.00 C ATOM 1708 NE ARG B 47 -11.027 10.221 -3.532 1.00 0.00 N ATOM 1709 CZ ARG B 47 -10.620 10.071 -4.809 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -9.555 10.710 -5.274 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -11.293 9.260 -5.617 1.00 0.00 N ATOM 0 H ARG B 47 -6.864 10.447 -1.656 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.450 12.754 -1.466 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.425 10.277 0.321 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.706 11.472 0.278 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -8.920 9.551 -1.949 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.386 9.511 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -11.108 11.683 -2.009 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -9.644 11.717 -2.972 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.867 9.715 -3.252 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -9.025 11.330 -4.662 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -9.266 10.581 -6.244 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -12.110 8.757 -5.270 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.993 9.140 -6.584 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.758 12.114 1.359 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.397 12.681 2.684 1.00 0.00 C ATOM 1727 C ASN B 48 -5.402 11.762 3.438 1.00 0.00 C ATOM 1728 O ASN B 48 -5.227 11.887 4.645 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.694 12.930 3.517 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.502 13.852 4.728 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -7.221 13.402 5.833 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -7.660 15.149 4.525 1.00 0.00 N ATOM 0 H ASN B 48 -6.507 11.132 1.246 1.00 0.00 H new ATOM 0 HA ASN B 48 -5.892 13.635 2.534 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.453 13.361 2.864 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -8.079 11.971 3.863 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -7.548 15.804 5.299 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -7.894 15.495 3.594 1.00 0.00 H new ATOM 1739 N SER B 49 -4.739 10.850 2.709 1.00 0.00 N ATOM 1740 CA SER B 49 -3.872 9.808 3.307 1.00 0.00 C ATOM 1741 C SER B 49 -2.646 10.392 4.044 1.00 0.00 C ATOM 1742 O SER B 49 -2.167 9.810 5.028 1.00 0.00 O ATOM 1743 CB SER B 49 -3.405 8.858 2.221 1.00 0.00 C ATOM 1744 OG SER B 49 -2.697 7.757 2.736 1.00 0.00 O ATOM 0 H SER B 49 -4.785 10.810 1.691 1.00 0.00 H new ATOM 0 HA SER B 49 -4.470 9.281 4.051 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.268 8.500 1.660 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.770 9.398 1.519 1.00 0.00 H new ATOM 0 HG SER B 49 -2.715 7.786 3.715 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.145 11.538 3.551 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.077 12.298 4.222 1.00 0.00 C ATOM 1752 C ALA B 50 -1.517 12.771 5.626 1.00 0.00 C ATOM 1753 O ALA B 50 -0.690 12.900 6.533 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.641 13.483 3.344 1.00 0.00 C ATOM 0 H ALA B 50 -2.467 11.961 2.681 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.221 11.638 4.361 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.149 14.039 3.849 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.270 13.111 2.389 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.493 14.140 3.171 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.833 13.004 5.787 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.425 13.400 7.067 1.00 0.00 C ATOM 1762 C GLY B 51 -4.164 12.261 7.776 1.00 0.00 C ATOM 1763 O GLY B 51 -4.715 12.477 8.859 1.00 0.00 O ATOM 0 H GLY B 51 -3.511 12.921 5.030 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.638 13.775 7.722 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.119 14.223 6.898 1.00 0.00 H new ATOM 1767 N ALA B 52 -4.193 11.055 7.158 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.769 9.833 7.774 1.00 0.00 C ATOM 1769 C ALA B 52 -4.002 9.435 9.043 1.00 0.00 C ATOM 1770 O ALA B 52 -2.887 9.901 9.276 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.785 8.670 6.761 1.00 0.00 C ATOM 0 H ALA B 52 -3.819 10.902 6.221 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.797 10.056 8.061 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -5.211 7.784 7.231 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.389 8.948 5.897 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.767 8.455 6.437 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.605 8.583 9.877 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.953 8.090 11.105 1.00 0.00 C ATOM 1779 C ASP B 53 -3.113 6.833 10.781 1.00 0.00 C ATOM 1780 O ASP B 53 -3.299 6.213 9.735 1.00 0.00 O ATOM 1781 CB ASP B 53 -5.019 7.813 12.198 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.407 7.471 13.568 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.905 8.386 14.258 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -4.417 6.293 13.963 1.00 0.00 O ATOM 0 H ASP B 53 -5.545 8.217 9.728 1.00 0.00 H new ATOM 0 HA ASP B 53 -3.276 8.850 11.495 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.660 8.689 12.302 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.655 6.989 11.875 1.00 0.00 H new ATOM 1789 N THR B 54 -2.140 6.512 11.637 1.00 0.00 N ATOM 1790 CA THR B 54 -1.316 5.297 11.506 1.00 0.00 C ATOM 1791 C THR B 54 -1.483 4.414 12.769 1.00 0.00 C ATOM 1792 O THR B 54 -0.952 4.732 13.836 1.00 0.00 O ATOM 1793 CB THR B 54 0.176 5.709 11.256 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.232 6.600 10.121 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.099 4.504 10.993 1.00 0.00 C ATOM 0 H THR B 54 -1.897 7.086 12.444 1.00 0.00 H new ATOM 0 HA THR B 54 -1.643 4.703 10.652 1.00 0.00 H new ATOM 0 HB THR B 54 0.533 6.196 12.163 1.00 0.00 H new ATOM 0 HG1 THR B 54 -0.304 6.230 9.388 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.118 4.855 10.827 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.081 3.837 11.855 1.00 0.00 H new ATOM 0 HG23 THR B 54 0.753 3.966 10.110 1.00 0.00 H new ATOM 1803 N VAL B 55 -2.277 3.334 12.633 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.591 2.387 13.728 1.00 0.00 C ATOM 1805 C VAL B 55 -1.681 1.146 13.640 1.00 0.00 C ATOM 1806 O VAL B 55 -1.526 0.568 12.560 1.00 0.00 O ATOM 1807 CB VAL B 55 -4.097 1.923 13.667 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.454 0.939 14.811 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -5.052 3.135 13.669 1.00 0.00 C ATOM 0 H VAL B 55 -2.725 3.089 11.750 1.00 0.00 H new ATOM 0 HA VAL B 55 -2.419 2.906 14.671 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.225 1.385 12.727 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.501 0.648 14.727 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.824 0.053 14.738 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -4.288 1.424 15.773 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -6.084 2.785 13.626 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.903 3.714 14.580 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.845 3.762 12.802 1.00 0.00 H new ATOM 1819 N ASP B 56 -1.097 0.748 14.788 1.00 0.00 N ATOM 1820 CA ASP B 56 -0.324 -0.502 14.925 1.00 0.00 C ATOM 1821 C ASP B 56 -1.183 -1.574 15.632 1.00 0.00 C ATOM 1822 O ASP B 56 -1.463 -1.468 16.830 1.00 0.00 O ATOM 1823 CB ASP B 56 1.002 -0.257 15.703 1.00 0.00 C ATOM 1824 CG ASP B 56 1.650 -1.560 16.221 1.00 0.00 C ATOM 1825 OD1 ASP B 56 1.953 -2.445 15.401 1.00 0.00 O ATOM 1826 OD2 ASP B 56 1.857 -1.704 17.449 1.00 0.00 O ATOM 0 H ASP B 56 -1.149 1.289 15.651 1.00 0.00 H new ATOM 0 HA ASP B 56 -0.061 -0.859 13.929 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.708 0.259 15.052 1.00 0.00 H new ATOM 0 HB3 ASP B 56 0.804 0.404 16.547 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.614 -2.573 14.858 1.00 0.00 N ATOM 1832 CA LEU B 57 -2.407 -3.714 15.349 1.00 0.00 C ATOM 1833 C LEU B 57 -1.526 -4.814 15.979 1.00 0.00 C ATOM 1834 O LEU B 57 -1.950 -5.463 16.940 1.00 0.00 O ATOM 1835 CB LEU B 57 -3.258 -4.325 14.184 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.432 -3.447 13.636 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -5.429 -3.079 14.747 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -3.918 -2.186 12.933 1.00 0.00 C ATOM 0 H LEU B 57 -1.422 -2.617 13.857 1.00 0.00 H new ATOM 0 HA LEU B 57 -3.066 -3.331 16.128 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.587 -4.552 13.355 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.673 -5.273 14.527 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.958 -4.051 12.897 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -6.230 -2.469 14.329 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -5.850 -3.989 15.174 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.914 -2.517 15.526 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.763 -1.603 12.567 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -3.342 -1.586 13.637 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -3.283 -2.470 12.094 1.00 0.00 H new ATOM 1850 N THR B 58 -0.283 -4.999 15.475 1.00 0.00 N ATOM 1851 CA THR B 58 0.522 -6.214 15.784 1.00 0.00 C ATOM 1852 C THR B 58 1.255 -6.137 17.140 1.00 0.00 C ATOM 1853 O THR B 58 1.826 -7.148 17.554 1.00 0.00 O ATOM 1854 CB THR B 58 1.530 -6.558 14.629 1.00 0.00 C ATOM 1855 OG1 THR B 58 2.250 -7.779 14.886 1.00 0.00 O ATOM 1856 CG2 THR B 58 2.523 -5.428 14.343 1.00 0.00 C ATOM 0 H THR B 58 0.184 -4.333 14.859 1.00 0.00 H new ATOM 0 HA THR B 58 -0.201 -7.025 15.864 1.00 0.00 H new ATOM 0 HB THR B 58 0.911 -6.692 13.742 1.00 0.00 H new ATOM 0 HG1 THR B 58 2.182 -8.005 15.837 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.192 -5.727 13.536 1.00 0.00 H new ATOM 0 HG22 THR B 58 1.978 -4.531 14.049 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.107 -5.221 15.240 1.00 0.00 H new ATOM 1864 N THR B 59 1.138 -4.980 17.856 1.00 0.00 N ATOM 1865 CA THR B 59 1.803 -4.681 19.165 1.00 0.00 C ATOM 1866 C THR B 59 3.343 -4.949 19.197 1.00 0.00 C ATOM 1867 O THR B 59 4.131 -4.006 19.375 1.00 0.00 O ATOM 1868 CB THR B 59 1.081 -5.386 20.376 1.00 0.00 C ATOM 1869 OG1 THR B 59 1.120 -6.811 20.234 1.00 0.00 O ATOM 1870 CG2 THR B 59 -0.391 -4.941 20.495 1.00 0.00 C ATOM 0 H THR B 59 0.561 -4.205 17.530 1.00 0.00 H new ATOM 0 HA THR B 59 1.693 -3.602 19.277 1.00 0.00 H new ATOM 0 HB THR B 59 1.617 -5.090 21.278 1.00 0.00 H new ATOM 0 HG1 THR B 59 1.298 -7.042 19.298 1.00 0.00 H new ATOM 0 HG21 THR B 59 -0.857 -5.447 21.340 1.00 0.00 H new ATOM 0 HG22 THR B 59 -0.434 -3.863 20.649 1.00 0.00 H new ATOM 0 HG23 THR B 59 -0.924 -5.198 19.580 1.00 0.00 H new ATOM 1878 N MET B 60 3.742 -6.237 19.085 1.00 0.00 N ATOM 1879 CA MET B 60 5.147 -6.681 18.976 1.00 0.00 C ATOM 1880 C MET B 60 5.932 -5.862 17.927 1.00 0.00 C ATOM 1881 O MET B 60 5.513 -5.753 16.764 1.00 0.00 O ATOM 1882 CB MET B 60 5.206 -8.191 18.595 1.00 0.00 C ATOM 1883 CG MET B 60 6.631 -8.763 18.454 1.00 0.00 C ATOM 1884 SD MET B 60 6.678 -10.427 17.741 1.00 0.00 S ATOM 1885 CE MET B 60 5.795 -11.392 18.965 1.00 0.00 C ATOM 0 H MET B 60 3.079 -7.012 19.068 1.00 0.00 H new ATOM 0 HA MET B 60 5.611 -6.522 19.949 1.00 0.00 H new ATOM 0 HB2 MET B 60 4.672 -8.764 19.353 1.00 0.00 H new ATOM 0 HB3 MET B 60 4.676 -8.336 17.654 1.00 0.00 H new ATOM 0 HG2 MET B 60 7.222 -8.093 17.830 1.00 0.00 H new ATOM 0 HG3 MET B 60 7.104 -8.784 19.436 1.00 0.00 H new ATOM 0 HE1 MET B 60 5.830 -12.447 18.691 1.00 0.00 H new ATOM 0 HE2 MET B 60 6.260 -11.255 19.941 1.00 0.00 H new ATOM 0 HE3 MET B 60 4.757 -11.063 19.008 1.00 0.00 H new ATOM 1895 N THR B 61 7.057 -5.284 18.375 1.00 0.00 N ATOM 1896 CA THR B 61 7.967 -4.502 17.537 1.00 0.00 C ATOM 1897 C THR B 61 8.935 -5.419 16.768 1.00 0.00 C ATOM 1898 O THR B 61 9.267 -6.516 17.238 1.00 0.00 O ATOM 1899 CB THR B 61 8.762 -3.481 18.417 1.00 0.00 C ATOM 1900 OG1 THR B 61 9.449 -4.173 19.469 1.00 0.00 O ATOM 1901 CG2 THR B 61 7.839 -2.414 19.030 1.00 0.00 C ATOM 0 H THR B 61 7.361 -5.350 19.346 1.00 0.00 H new ATOM 0 HA THR B 61 7.374 -3.952 16.806 1.00 0.00 H new ATOM 0 HB THR B 61 9.479 -2.978 17.768 1.00 0.00 H new ATOM 0 HG1 THR B 61 9.946 -3.528 20.015 1.00 0.00 H new ATOM 0 HG21 THR B 61 8.430 -1.725 19.633 1.00 0.00 H new ATOM 0 HG22 THR B 61 7.341 -1.862 18.233 1.00 0.00 H new ATOM 0 HG23 THR B 61 7.091 -2.897 19.659 1.00 0.00 H new ATOM 1909 N ALA B 62 9.378 -4.955 15.587 1.00 0.00 N ATOM 1910 CA ALA B 62 10.329 -5.682 14.728 1.00 0.00 C ATOM 1911 C ALA B 62 11.337 -4.681 14.137 1.00 0.00 C ATOM 1912 O ALA B 62 12.523 -4.700 14.523 1.00 0.00 O ATOM 1913 CB ALA B 62 9.584 -6.438 13.617 1.00 0.00 C ATOM 1914 OXT ALA B 62 10.923 -3.842 13.315 1.00 0.00 O ATOM 0 H ALA B 62 9.084 -4.059 15.199 1.00 0.00 H new ATOM 0 HA ALA B 62 10.867 -6.421 15.322 1.00 0.00 H new ATOM 0 HB1 ALA B 62 10.303 -6.969 12.993 1.00 0.00 H new ATOM 0 HB2 ALA B 62 8.893 -7.153 14.064 1.00 0.00 H new ATOM 0 HB3 ALA B 62 9.026 -5.729 13.005 1.00 0.00 H new TER 1920 ALA B 62