USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 710 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 16 ASN : amide:sc= 0.834 K(o=1.9,f=0.85) USER MOD Set 1.2: B 18 LYS NZ :NH3+ -172:sc= 1.1 (180deg=1.05) USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0.601 USER MOD Set 2.2: B 13 SER OG : rot -119:sc= -0.0642 USER MOD Set 3.1: B 6 CYS SG : rot 171:sc= 0.319 USER MOD Set 3.2: B 9 THR OG1 : rot -54:sc= 0.873 USER MOD Set 4.1: A 43 GLN : amide:sc= 0.965 K(o=2,f=-6.9!) USER MOD Set 4.2: B 28 LYS NZ :NH3+ 154:sc= 1.01 (180deg=0) USER MOD Set 5.1: A 28 LYS NZ :NH3+ -158:sc= 0.981 (180deg=0) USER MOD Set 5.2: B 43 GLN : amide:sc= 0.858 K(o=1.8,f=-7.4!) USER MOD Set 6.1: A 16 ASN : amide:sc= 0.608 K(o=1.7,f=1) USER MOD Set 6.2: A 18 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.08) USER MOD Set 7.1: A 13 SER OG : rot 140:sc= 0.783 USER MOD Set 7.2: A 46 LYS NZ :NH3+ 155:sc= 2.06 (180deg=1.21) USER MOD Set 8.1: A 6 CYS SG : rot -154:sc= -0.777 USER MOD Set 8.2: A 9 THR OG1 : rot 180:sc= 0.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.856 K(o=0.86,f=-0.17) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.27 K(o=0.27,f=-0.37) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 44 ASN : amide:sc= 0.588 K(o=0.59,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -108:sc= 0.0278 (180deg=0) USER MOD Single : B 2 ASN : amide:sc=-0.00103 X(o=-0.001,f=-0.21) USER MOD Single : B 3 CYS SG : rot 180:sc= -0.105 USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 GLN : amide:sc=-0.00281 K(o=-0.0028,f=-0.51) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 SER OG : rot -170:sc= 0.131 USER MOD Single : B 33 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.21) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 39 GLN : amide:sc= 0.971 K(o=0.97,f=-0.15) USER MOD Single : B 40 ASN : amide:sc= -0.252 K(o=-0.25,f=-1) USER MOD Single : B 41 GLN : amide:sc= 0.557 K(o=0.56,f=-5!) USER MOD Single : B 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 46 LYS NZ :NH3+ -174:sc= 0.908 (180deg=0.866) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.114 21.668 -14.206 1.00 0.00 N ATOM 2 CA MET A 1 -5.675 22.389 -13.030 1.00 0.00 C ATOM 3 C MET A 1 -4.602 22.630 -11.963 1.00 0.00 C ATOM 4 O MET A 1 -4.147 23.764 -11.815 1.00 0.00 O ATOM 5 CB MET A 1 -6.930 21.710 -12.434 1.00 0.00 C ATOM 6 CG MET A 1 -8.140 21.722 -13.380 1.00 0.00 C ATOM 7 SD MET A 1 -8.657 23.370 -13.942 1.00 0.00 S ATOM 8 CE MET A 1 -10.101 22.911 -14.941 1.00 0.00 C ATOM 0 H1 MET A 1 -5.863 21.519 -14.912 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.349 22.233 -14.627 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.737 20.748 -13.902 1.00 0.00 H new ATOM 0 HA MET A 1 -6.011 23.358 -13.399 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.689 20.678 -12.179 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.200 22.213 -11.506 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.906 21.114 -14.253 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.981 21.246 -12.876 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.548 23.809 -15.368 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.790 22.243 -15.745 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.833 22.405 -14.312 1.00 0.00 H new ATOM 20 N ASN A 2 -4.173 21.591 -11.232 1.00 0.00 N ATOM 21 CA ASN A 2 -3.158 21.660 -10.166 1.00 0.00 C ATOM 22 C ASN A 2 -2.153 20.494 -10.276 1.00 0.00 C ATOM 23 O ASN A 2 -2.454 19.451 -10.865 1.00 0.00 O ATOM 24 CB ASN A 2 -3.866 21.653 -8.795 1.00 0.00 C ATOM 25 CG ASN A 2 -4.796 22.837 -8.586 1.00 0.00 C ATOM 26 OD1 ASN A 2 -6.008 22.742 -8.732 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.269 23.996 -8.259 1.00 0.00 N ATOM 0 H ASN A 2 -4.534 20.647 -11.370 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.590 22.584 -10.273 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.438 20.730 -8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.113 21.649 -8.007 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.869 24.810 -8.128 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.260 24.081 -8.136 1.00 0.00 H new ATOM 34 N CYS A 3 -0.961 20.661 -9.694 1.00 0.00 N ATOM 35 CA CYS A 3 0.104 19.650 -9.698 1.00 0.00 C ATOM 36 C CYS A 3 -0.209 18.454 -8.777 1.00 0.00 C ATOM 37 O CYS A 3 -0.845 18.605 -7.730 1.00 0.00 O ATOM 38 CB CYS A 3 1.434 20.312 -9.302 1.00 0.00 C ATOM 39 SG CYS A 3 1.874 21.615 -10.492 1.00 0.00 S ATOM 0 H CYS A 3 -0.704 21.515 -9.199 1.00 0.00 H new ATOM 0 HA CYS A 3 0.178 19.246 -10.708 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.352 20.737 -8.302 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.224 19.562 -9.266 1.00 0.00 H new ATOM 0 HG CYS A 3 2.999 22.163 -10.139 1.00 0.00 H new ATOM 45 N MET A 4 0.289 17.266 -9.136 1.00 0.00 N ATOM 46 CA MET A 4 0.197 16.056 -8.308 1.00 0.00 C ATOM 47 C MET A 4 1.144 16.126 -7.106 1.00 0.00 C ATOM 48 O MET A 4 2.362 16.205 -7.263 1.00 0.00 O ATOM 49 CB MET A 4 0.488 14.810 -9.160 1.00 0.00 C ATOM 50 CG MET A 4 -0.799 14.325 -9.829 1.00 0.00 C ATOM 51 SD MET A 4 -0.567 12.910 -10.941 1.00 0.00 S ATOM 52 CE MET A 4 -2.290 12.633 -11.435 1.00 0.00 C ATOM 0 H MET A 4 0.774 17.115 -10.021 1.00 0.00 H new ATOM 0 HA MET A 4 -0.819 15.987 -7.919 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.236 15.043 -9.917 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.903 14.020 -8.534 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.517 14.052 -9.056 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.236 15.149 -10.393 1.00 0.00 H new ATOM 0 HE1 MET A 4 -2.340 11.791 -12.126 1.00 0.00 H new ATOM 0 HE2 MET A 4 -2.891 12.414 -10.552 1.00 0.00 H new ATOM 0 HE3 MET A 4 -2.676 13.527 -11.924 1.00 0.00 H new ATOM 62 N THR A 5 0.580 16.069 -5.901 1.00 0.00 N ATOM 63 CA THR A 5 1.296 16.070 -4.621 1.00 0.00 C ATOM 64 C THR A 5 0.588 15.192 -3.590 1.00 0.00 C ATOM 65 O THR A 5 -0.623 14.967 -3.680 1.00 0.00 O ATOM 66 CB THR A 5 1.442 17.511 -4.118 1.00 0.00 C ATOM 67 OG1 THR A 5 2.400 17.548 -3.088 1.00 0.00 O ATOM 68 CG2 THR A 5 0.149 18.144 -3.594 1.00 0.00 C ATOM 0 H THR A 5 -0.432 16.019 -5.782 1.00 0.00 H new ATOM 0 HA THR A 5 2.289 15.647 -4.772 1.00 0.00 H new ATOM 0 HB THR A 5 1.743 18.095 -4.988 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.497 18.468 -2.765 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.351 19.162 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.595 18.164 -4.390 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.230 17.557 -2.758 1.00 0.00 H new ATOM 76 N CYS A 6 1.327 14.697 -2.600 1.00 0.00 N ATOM 77 CA CYS A 6 0.798 13.923 -1.489 1.00 0.00 C ATOM 78 C CYS A 6 -0.215 14.719 -0.652 1.00 0.00 C ATOM 79 O CYS A 6 0.137 15.756 -0.096 1.00 0.00 O ATOM 80 CB CYS A 6 1.975 13.424 -0.645 1.00 0.00 C ATOM 81 SG CYS A 6 1.355 12.240 0.574 1.00 0.00 S ATOM 0 H CYS A 6 2.337 14.829 -2.551 1.00 0.00 H new ATOM 0 HA CYS A 6 0.242 13.071 -1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.724 12.953 -1.282 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.463 14.261 -0.145 1.00 0.00 H new ATOM 0 HG CYS A 6 2.148 12.223 1.604 1.00 0.00 H new ATOM 87 N GLN A 7 -1.444 14.222 -0.474 1.00 0.00 N ATOM 88 CA GLN A 7 -2.412 14.867 0.437 1.00 0.00 C ATOM 89 C GLN A 7 -2.201 14.482 1.922 1.00 0.00 C ATOM 90 O GLN A 7 -2.724 15.147 2.819 1.00 0.00 O ATOM 91 CB GLN A 7 -3.841 14.616 -0.073 1.00 0.00 C ATOM 92 CG GLN A 7 -4.852 15.623 0.508 1.00 0.00 C ATOM 93 CD GLN A 7 -6.240 15.497 -0.117 1.00 0.00 C ATOM 94 OE1 GLN A 7 -6.517 16.006 -1.195 1.00 0.00 O ATOM 95 NE2 GLN A 7 -7.165 14.811 0.523 1.00 0.00 N ATOM 0 H GLN A 7 -1.795 13.385 -0.940 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.237 15.943 0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.853 14.679 -1.161 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -4.147 13.604 0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.929 15.473 1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.479 16.635 0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.950 14.381 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.096 14.710 0.119 1.00 0.00 H new ATOM 104 N VAL A 8 -1.405 13.440 2.201 1.00 0.00 N ATOM 105 CA VAL A 8 -1.101 12.937 3.563 1.00 0.00 C ATOM 106 C VAL A 8 0.195 13.535 4.145 1.00 0.00 C ATOM 107 O VAL A 8 0.335 13.624 5.366 1.00 0.00 O ATOM 108 CB VAL A 8 -1.075 11.390 3.550 1.00 0.00 C ATOM 109 CG1 VAL A 8 -0.745 10.757 4.907 1.00 0.00 C ATOM 110 CG2 VAL A 8 -2.440 10.836 3.116 1.00 0.00 C ATOM 0 H VAL A 8 -0.938 12.904 1.470 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.895 13.269 4.231 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.282 11.130 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.747 9.671 4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.240 11.091 5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.493 11.058 5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.406 9.747 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.207 11.172 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.677 11.195 2.115 1.00 0.00 H new ATOM 120 N THR A 9 1.124 13.983 3.291 1.00 0.00 N ATOM 121 CA THR A 9 2.441 14.533 3.699 1.00 0.00 C ATOM 122 C THR A 9 2.758 15.883 3.053 1.00 0.00 C ATOM 123 O THR A 9 3.381 16.739 3.683 1.00 0.00 O ATOM 124 CB THR A 9 3.592 13.558 3.405 1.00 0.00 C ATOM 125 OG1 THR A 9 3.820 13.455 2.015 1.00 0.00 O ATOM 126 CG2 THR A 9 3.323 12.146 3.925 1.00 0.00 C ATOM 0 H THR A 9 0.988 13.977 2.280 1.00 0.00 H new ATOM 0 HA THR A 9 2.357 14.681 4.776 1.00 0.00 H new ATOM 0 HB THR A 9 4.460 13.970 3.920 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.557 12.831 1.850 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.171 11.503 3.688 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.182 12.177 5.005 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.424 11.750 3.453 1.00 0.00 H new ATOM 134 N GLY A 10 2.306 16.082 1.811 1.00 0.00 N ATOM 135 CA GLY A 10 2.555 17.305 1.028 1.00 0.00 C ATOM 136 C GLY A 10 3.743 17.207 0.064 1.00 0.00 C ATOM 137 O GLY A 10 4.113 18.202 -0.559 1.00 0.00 O ATOM 0 H GLY A 10 1.748 15.390 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.658 17.546 0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.727 18.133 1.715 1.00 0.00 H new ATOM 141 N GLU A 11 4.362 16.027 -0.053 1.00 0.00 N ATOM 142 CA GLU A 11 5.485 15.768 -0.959 1.00 0.00 C ATOM 143 C GLU A 11 5.048 15.448 -2.392 1.00 0.00 C ATOM 144 O GLU A 11 4.080 14.732 -2.629 1.00 0.00 O ATOM 145 CB GLU A 11 6.355 14.635 -0.404 1.00 0.00 C ATOM 146 CG GLU A 11 7.227 15.112 0.756 1.00 0.00 C ATOM 147 CD GLU A 11 8.387 16.012 0.286 1.00 0.00 C ATOM 148 OE1 GLU A 11 9.414 15.484 -0.205 1.00 0.00 O ATOM 149 OE2 GLU A 11 8.282 17.257 0.401 1.00 0.00 O ATOM 0 H GLU A 11 4.090 15.208 0.491 1.00 0.00 H new ATOM 0 HA GLU A 11 6.063 16.690 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.718 13.817 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.989 14.240 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.611 15.660 1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.631 14.248 1.283 1.00 0.00 H new ATOM 156 N VAL A 12 5.825 15.931 -3.354 1.00 0.00 N ATOM 157 CA VAL A 12 5.634 15.713 -4.801 1.00 0.00 C ATOM 158 C VAL A 12 6.799 14.911 -5.385 1.00 0.00 C ATOM 159 O VAL A 12 7.963 15.216 -5.118 1.00 0.00 O ATOM 160 CB VAL A 12 5.374 17.039 -5.558 1.00 0.00 C ATOM 161 CG1 VAL A 12 6.314 18.185 -5.155 1.00 0.00 C ATOM 162 CG2 VAL A 12 5.473 16.884 -7.083 1.00 0.00 C ATOM 0 H VAL A 12 6.640 16.509 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 12 4.733 15.115 -4.938 1.00 0.00 H new ATOM 0 HB VAL A 12 4.355 17.294 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.067 19.077 -5.730 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.197 18.394 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.346 17.897 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.281 17.845 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.472 16.540 -7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.736 16.157 -7.423 1.00 0.00 H new ATOM 172 N SER A 13 6.485 13.903 -6.209 1.00 0.00 N ATOM 173 CA SER A 13 7.489 13.170 -7.002 1.00 0.00 C ATOM 174 C SER A 13 7.126 13.003 -8.484 1.00 0.00 C ATOM 175 O SER A 13 5.956 13.028 -8.872 1.00 0.00 O ATOM 176 CB SER A 13 7.791 11.809 -6.371 1.00 0.00 C ATOM 177 OG SER A 13 9.023 11.320 -6.877 1.00 0.00 O ATOM 0 H SER A 13 5.531 13.571 -6.347 1.00 0.00 H new ATOM 0 HA SER A 13 8.384 13.793 -6.983 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.841 11.902 -5.286 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.988 11.106 -6.594 1.00 0.00 H new ATOM 0 HG SER A 13 9.529 10.897 -6.152 1.00 0.00 H new ATOM 183 N ASP A 14 8.155 12.795 -9.309 1.00 0.00 N ATOM 184 CA ASP A 14 8.086 12.567 -10.759 1.00 0.00 C ATOM 185 C ASP A 14 7.408 11.234 -11.126 1.00 0.00 C ATOM 186 O ASP A 14 6.780 11.122 -12.180 1.00 0.00 O ATOM 187 CB ASP A 14 9.506 12.604 -11.357 1.00 0.00 C ATOM 188 CG ASP A 14 10.394 13.718 -10.780 1.00 0.00 C ATOM 189 OD1 ASP A 14 10.953 13.518 -9.671 1.00 0.00 O ATOM 190 OD2 ASP A 14 10.530 14.786 -11.423 1.00 0.00 O ATOM 0 H ASP A 14 9.115 12.780 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 14 7.472 13.365 -11.178 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.988 11.642 -11.184 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.432 12.734 -12.437 1.00 0.00 H new ATOM 195 N ASP A 15 7.496 10.242 -10.233 1.00 0.00 N ATOM 196 CA ASP A 15 6.751 8.976 -10.294 1.00 0.00 C ATOM 197 C ASP A 15 5.944 8.780 -9.001 1.00 0.00 C ATOM 198 O ASP A 15 6.127 7.822 -8.245 1.00 0.00 O ATOM 199 CB ASP A 15 7.667 7.791 -10.648 1.00 0.00 C ATOM 200 CG ASP A 15 6.872 6.534 -11.070 1.00 0.00 C ATOM 201 OD1 ASP A 15 5.633 6.604 -11.263 1.00 0.00 O ATOM 202 OD2 ASP A 15 7.499 5.468 -11.273 1.00 0.00 O ATOM 0 H ASP A 15 8.108 10.299 -9.419 1.00 0.00 H new ATOM 0 HA ASP A 15 6.030 9.022 -11.110 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.336 8.082 -11.457 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.292 7.550 -9.788 1.00 0.00 H new ATOM 207 N ASN A 16 5.107 9.778 -8.698 1.00 0.00 N ATOM 208 CA ASN A 16 4.243 9.805 -7.520 1.00 0.00 C ATOM 209 C ASN A 16 3.296 8.591 -7.436 1.00 0.00 C ATOM 210 O ASN A 16 2.819 8.052 -8.439 1.00 0.00 O ATOM 211 CB ASN A 16 3.493 11.146 -7.455 1.00 0.00 C ATOM 212 CG ASN A 16 2.706 11.449 -8.721 1.00 0.00 C ATOM 213 OD1 ASN A 16 1.660 10.880 -8.989 1.00 0.00 O ATOM 214 ND2 ASN A 16 3.205 12.334 -9.553 1.00 0.00 N ATOM 0 H ASN A 16 5.012 10.609 -9.282 1.00 0.00 H new ATOM 0 HA ASN A 16 4.878 9.723 -6.638 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.812 11.134 -6.604 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.209 11.948 -7.278 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.718 12.546 -10.424 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.079 12.809 -9.328 1.00 0.00 H new ATOM 221 N LEU A 17 3.047 8.171 -6.199 1.00 0.00 N ATOM 222 CA LEU A 17 2.360 6.949 -5.786 1.00 0.00 C ATOM 223 C LEU A 17 0.852 7.190 -5.628 1.00 0.00 C ATOM 224 O LEU A 17 0.399 8.334 -5.577 1.00 0.00 O ATOM 225 CB LEU A 17 3.047 6.439 -4.493 1.00 0.00 C ATOM 226 CG LEU A 17 4.568 6.263 -4.662 1.00 0.00 C ATOM 227 CD1 LEU A 17 5.242 5.926 -3.337 1.00 0.00 C ATOM 228 CD2 LEU A 17 4.890 5.219 -5.728 1.00 0.00 C ATOM 0 H LEU A 17 3.344 8.721 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 17 2.441 6.175 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.854 7.141 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.605 5.486 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 17 4.971 7.217 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.314 5.809 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.065 6.731 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.829 4.997 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.971 5.118 -5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.460 4.260 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.469 5.533 -6.683 1.00 0.00 H new ATOM 240 N LYS A 18 0.047 6.123 -5.610 1.00 0.00 N ATOM 241 CA LYS A 18 -1.421 6.218 -5.517 1.00 0.00 C ATOM 242 C LYS A 18 -2.016 5.265 -4.466 1.00 0.00 C ATOM 243 O LYS A 18 -1.413 4.246 -4.130 1.00 0.00 O ATOM 244 CB LYS A 18 -2.094 6.082 -6.901 1.00 0.00 C ATOM 245 CG LYS A 18 -1.854 7.235 -7.896 1.00 0.00 C ATOM 246 CD LYS A 18 -0.593 7.105 -8.764 1.00 0.00 C ATOM 247 CE LYS A 18 -0.462 8.295 -9.723 1.00 0.00 C ATOM 248 NZ LYS A 18 0.826 8.260 -10.458 1.00 0.00 N ATOM 0 H LYS A 18 0.392 5.164 -5.659 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.647 7.222 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.747 5.156 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.169 5.979 -6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.720 7.312 -8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.795 8.169 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.289 7.049 -8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.633 6.177 -9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.288 8.284 -10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.537 9.226 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.928 9.129 -11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.611 8.193 -9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.843 7.434 -11.090 1.00 0.00 H new ATOM 262 N LEU A 19 -3.181 5.641 -3.925 1.00 0.00 N ATOM 263 CA LEU A 19 -3.861 4.980 -2.792 1.00 0.00 C ATOM 264 C LEU A 19 -4.376 3.555 -3.117 1.00 0.00 C ATOM 265 O LEU A 19 -4.265 3.076 -4.246 1.00 0.00 O ATOM 266 CB LEU A 19 -4.922 5.981 -2.251 1.00 0.00 C ATOM 267 CG LEU A 19 -5.469 5.735 -0.820 1.00 0.00 C ATOM 268 CD1 LEU A 19 -5.559 7.045 -0.034 1.00 0.00 C ATOM 269 CD2 LEU A 19 -6.888 5.154 -0.834 1.00 0.00 C ATOM 0 H LEU A 19 -3.701 6.446 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.155 4.762 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.488 6.980 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.767 5.981 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.773 5.034 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.945 6.844 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.568 7.492 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.228 7.734 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.228 4.999 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.560 5.848 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.886 4.201 -1.364 1.00 0.00 H new ATOM 281 N ALA A 20 -4.926 2.854 -2.119 1.00 0.00 N ATOM 282 CA ALA A 20 -5.498 1.506 -2.257 1.00 0.00 C ATOM 283 C ALA A 20 -6.660 1.428 -3.280 1.00 0.00 C ATOM 284 O ALA A 20 -7.054 2.431 -3.880 1.00 0.00 O ATOM 285 CB ALA A 20 -5.915 1.006 -0.865 1.00 0.00 C ATOM 0 H ALA A 20 -4.988 3.216 -1.168 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.731 0.850 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.342 0.007 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.042 0.974 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.658 1.683 -0.443 1.00 0.00 H new ATOM 291 N GLY A 21 -7.214 0.234 -3.517 1.00 0.00 N ATOM 292 CA GLY A 21 -8.363 0.036 -4.418 1.00 0.00 C ATOM 293 C GLY A 21 -9.102 -1.263 -4.091 1.00 0.00 C ATOM 294 O GLY A 21 -10.279 -1.244 -3.727 1.00 0.00 O ATOM 0 H GLY A 21 -6.879 -0.629 -3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.048 0.880 -4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.018 0.012 -5.452 1.00 0.00 H new ATOM 298 N GLY A 22 -8.366 -2.376 -4.134 1.00 0.00 N ATOM 299 CA GLY A 22 -8.749 -3.684 -3.590 1.00 0.00 C ATOM 300 C GLY A 22 -8.638 -4.820 -4.610 1.00 0.00 C ATOM 301 O GLY A 22 -9.594 -5.571 -4.818 1.00 0.00 O ATOM 0 H GLY A 22 -7.444 -2.392 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.117 -3.912 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.775 -3.632 -3.225 1.00 0.00 H new ATOM 305 N LYS A 23 -7.493 -4.902 -5.300 1.00 0.00 N ATOM 306 CA LYS A 23 -7.332 -5.666 -6.552 1.00 0.00 C ATOM 307 C LYS A 23 -7.144 -7.186 -6.360 1.00 0.00 C ATOM 308 O LYS A 23 -7.653 -7.968 -7.164 1.00 0.00 O ATOM 309 CB LYS A 23 -6.210 -4.985 -7.361 1.00 0.00 C ATOM 310 CG LYS A 23 -6.012 -5.583 -8.759 1.00 0.00 C ATOM 311 CD LYS A 23 -4.922 -4.869 -9.580 1.00 0.00 C ATOM 312 CE LYS A 23 -5.166 -3.372 -9.835 1.00 0.00 C ATOM 313 NZ LYS A 23 -6.341 -3.131 -10.717 1.00 0.00 N ATOM 0 H LYS A 23 -6.637 -4.434 -5.003 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.264 -5.634 -7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.436 -3.923 -7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.275 -5.062 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.752 -6.637 -8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.955 -5.537 -9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.969 -4.982 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.825 -5.373 -10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.320 -2.864 -8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.278 -2.934 -10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.464 -2.108 -10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.185 -3.592 -11.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.195 -3.524 -10.273 1.00 0.00 H new ATOM 327 N LEU A 24 -6.454 -7.605 -5.295 1.00 0.00 N ATOM 328 CA LEU A 24 -6.238 -9.007 -4.880 1.00 0.00 C ATOM 329 C LEU A 24 -5.940 -9.078 -3.370 1.00 0.00 C ATOM 330 O LEU A 24 -5.533 -8.071 -2.796 1.00 0.00 O ATOM 331 CB LEU A 24 -5.081 -9.612 -5.707 1.00 0.00 C ATOM 332 CG LEU A 24 -4.937 -11.146 -5.625 1.00 0.00 C ATOM 333 CD1 LEU A 24 -6.197 -11.895 -6.068 1.00 0.00 C ATOM 334 CD2 LEU A 24 -3.793 -11.590 -6.535 1.00 0.00 C ATOM 0 H LEU A 24 -6.004 -6.945 -4.661 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.142 -9.587 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.220 -9.333 -6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.146 -9.159 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.750 -11.385 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.029 -12.969 -5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.033 -11.609 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.426 -11.641 -7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.685 -12.673 -6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.010 -11.297 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.866 -11.117 -6.211 1.00 0.00 H new ATOM 346 N VAL A 25 -6.123 -10.234 -2.721 1.00 0.00 N ATOM 347 CA VAL A 25 -5.931 -10.405 -1.267 1.00 0.00 C ATOM 348 C VAL A 25 -4.477 -10.714 -0.892 1.00 0.00 C ATOM 349 O VAL A 25 -3.818 -11.581 -1.471 1.00 0.00 O ATOM 350 CB VAL A 25 -6.875 -11.475 -0.682 1.00 0.00 C ATOM 351 CG1 VAL A 25 -6.537 -11.833 0.771 1.00 0.00 C ATOM 352 CG2 VAL A 25 -8.320 -10.963 -0.684 1.00 0.00 C ATOM 0 H VAL A 25 -6.412 -11.091 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.186 -9.443 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.753 -12.357 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.234 -12.590 1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.520 -12.222 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.617 -10.942 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.977 -11.727 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.387 -10.059 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.625 -10.738 -1.706 1.00 0.00 H new ATOM 362 N LEU A 26 -4.007 -9.985 0.119 1.00 0.00 N ATOM 363 CA LEU A 26 -2.716 -10.093 0.797 1.00 0.00 C ATOM 364 C LEU A 26 -2.922 -10.116 2.323 1.00 0.00 C ATOM 365 O LEU A 26 -3.953 -9.681 2.827 1.00 0.00 O ATOM 366 CB LEU A 26 -1.768 -8.972 0.325 1.00 0.00 C ATOM 367 CG LEU A 26 -1.167 -9.222 -1.078 1.00 0.00 C ATOM 368 CD1 LEU A 26 -2.055 -8.749 -2.235 1.00 0.00 C ATOM 369 CD2 LEU A 26 0.138 -8.457 -1.250 1.00 0.00 C ATOM 0 H LEU A 26 -4.571 -9.236 0.521 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.235 -11.034 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.312 -8.027 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.957 -8.866 1.045 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.044 -10.304 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.561 -8.961 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.010 -9.273 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.226 -7.676 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.543 -8.647 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.048 -7.389 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.854 -8.786 -0.497 1.00 0.00 H new ATOM 381 N SER A 27 -1.961 -10.633 3.092 1.00 0.00 N ATOM 382 CA SER A 27 -1.933 -10.461 4.555 1.00 0.00 C ATOM 383 C SER A 27 -0.999 -9.308 4.923 1.00 0.00 C ATOM 384 O SER A 27 -0.489 -8.621 4.037 1.00 0.00 O ATOM 385 CB SER A 27 -1.534 -11.771 5.235 1.00 0.00 C ATOM 386 OG SER A 27 -1.931 -11.720 6.597 1.00 0.00 O ATOM 0 H SER A 27 -1.182 -11.180 2.725 1.00 0.00 H new ATOM 0 HA SER A 27 -2.930 -10.205 4.914 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.009 -12.615 4.735 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.457 -11.921 5.161 1.00 0.00 H new ATOM 0 HG SER A 27 -1.681 -12.557 7.042 1.00 0.00 H new ATOM 392 N LYS A 28 -0.739 -9.101 6.219 1.00 0.00 N ATOM 393 CA LYS A 28 0.118 -8.023 6.763 1.00 0.00 C ATOM 394 C LYS A 28 1.454 -7.925 6.010 1.00 0.00 C ATOM 395 O LYS A 28 1.874 -6.846 5.564 1.00 0.00 O ATOM 396 CB LYS A 28 0.320 -8.298 8.273 1.00 0.00 C ATOM 397 CG LYS A 28 0.367 -7.019 9.120 1.00 0.00 C ATOM 398 CD LYS A 28 0.644 -7.337 10.597 1.00 0.00 C ATOM 399 CE LYS A 28 0.569 -6.069 11.460 1.00 0.00 C ATOM 400 NZ LYS A 28 0.917 -6.361 12.877 1.00 0.00 N ATOM 0 H LYS A 28 -1.130 -9.696 6.949 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.366 -7.056 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.490 -8.934 8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.247 -8.853 8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.142 -6.355 8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.580 -6.487 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.080 -8.068 10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.631 -7.790 10.696 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.249 -5.315 11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.436 -5.650 11.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.515 -5.625 13.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.528 -7.287 13.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.951 -6.375 12.985 1.00 0.00 H new ATOM 414 N GLU A 29 2.063 -9.091 5.793 1.00 0.00 N ATOM 415 CA GLU A 29 3.388 -9.206 5.178 1.00 0.00 C ATOM 416 C GLU A 29 3.322 -8.993 3.660 1.00 0.00 C ATOM 417 O GLU A 29 4.185 -8.336 3.074 1.00 0.00 O ATOM 418 CB GLU A 29 4.039 -10.547 5.534 1.00 0.00 C ATOM 419 CG GLU A 29 4.342 -10.663 7.034 1.00 0.00 C ATOM 420 CD GLU A 29 5.130 -11.950 7.348 1.00 0.00 C ATOM 421 OE1 GLU A 29 6.375 -11.959 7.190 1.00 0.00 O ATOM 422 OE2 GLU A 29 4.512 -12.958 7.769 1.00 0.00 O ATOM 0 H GLU A 29 1.649 -9.990 6.040 1.00 0.00 H new ATOM 0 HA GLU A 29 4.017 -8.414 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.379 -11.361 5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.963 -10.662 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.915 -9.795 7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.409 -10.659 7.597 1.00 0.00 H new ATOM 429 N GLY A 30 2.248 -9.467 3.015 1.00 0.00 N ATOM 430 CA GLY A 30 2.001 -9.165 1.619 1.00 0.00 C ATOM 431 C GLY A 30 1.785 -7.670 1.391 1.00 0.00 C ATOM 432 O GLY A 30 2.418 -7.106 0.506 1.00 0.00 O ATOM 0 H GLY A 30 1.541 -10.061 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.845 -9.506 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.124 -9.715 1.278 1.00 0.00 H new ATOM 436 N ALA A 31 0.964 -6.993 2.202 1.00 0.00 N ATOM 437 CA ALA A 31 0.679 -5.571 2.017 1.00 0.00 C ATOM 438 C ALA A 31 1.962 -4.743 2.183 1.00 0.00 C ATOM 439 O ALA A 31 2.263 -3.866 1.361 1.00 0.00 O ATOM 440 CB ALA A 31 -0.433 -5.138 2.983 1.00 0.00 C ATOM 0 H ALA A 31 0.484 -7.414 2.997 1.00 0.00 H new ATOM 0 HA ALA A 31 0.320 -5.393 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.644 -4.078 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.335 -5.717 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.111 -5.312 4.010 1.00 0.00 H new ATOM 446 N GLU A 32 2.775 -5.066 3.197 1.00 0.00 N ATOM 447 CA GLU A 32 4.080 -4.376 3.284 1.00 0.00 C ATOM 448 C GLU A 32 5.027 -4.720 2.114 1.00 0.00 C ATOM 449 O GLU A 32 5.810 -3.867 1.676 1.00 0.00 O ATOM 450 CB GLU A 32 4.768 -4.532 4.635 1.00 0.00 C ATOM 451 CG GLU A 32 5.353 -5.919 4.874 1.00 0.00 C ATOM 452 CD GLU A 32 6.207 -5.956 6.157 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.638 -6.052 7.270 1.00 0.00 O ATOM 454 OE2 GLU A 32 7.456 -5.888 6.056 1.00 0.00 O ATOM 0 H GLU A 32 2.579 -5.752 3.926 1.00 0.00 H new ATOM 0 HA GLU A 32 3.836 -3.318 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.566 -3.794 4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.050 -4.310 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.546 -6.648 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.964 -6.210 4.020 1.00 0.00 H new ATOM 461 N GLN A 33 4.935 -5.934 1.549 1.00 0.00 N ATOM 462 CA GLN A 33 5.669 -6.238 0.321 1.00 0.00 C ATOM 463 C GLN A 33 5.199 -5.361 -0.849 1.00 0.00 C ATOM 464 O GLN A 33 6.041 -4.886 -1.613 1.00 0.00 O ATOM 465 CB GLN A 33 5.624 -7.737 -0.024 1.00 0.00 C ATOM 466 CG GLN A 33 6.557 -8.102 -1.197 1.00 0.00 C ATOM 467 CD GLN A 33 8.035 -7.786 -0.944 1.00 0.00 C ATOM 468 OE1 GLN A 33 8.576 -8.008 0.132 1.00 0.00 O ATOM 469 NE2 GLN A 33 8.758 -7.271 -1.914 1.00 0.00 N ATOM 0 H GLN A 33 4.372 -6.702 1.916 1.00 0.00 H new ATOM 0 HA GLN A 33 6.715 -5.994 0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.906 -8.317 0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.601 -8.018 -0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.456 -9.166 -1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.229 -7.566 -2.088 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.332 -7.077 -2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.745 -7.066 -1.761 1.00 0.00 H new ATOM 478 N ILE A 34 3.899 -5.040 -0.951 1.00 0.00 N ATOM 479 CA ILE A 34 3.430 -4.030 -1.913 1.00 0.00 C ATOM 480 C ILE A 34 4.088 -2.686 -1.601 1.00 0.00 C ATOM 481 O ILE A 34 4.536 -2.032 -2.533 1.00 0.00 O ATOM 482 CB ILE A 34 1.907 -3.829 -1.956 1.00 0.00 C ATOM 483 CG1 ILE A 34 1.115 -5.140 -2.025 1.00 0.00 C ATOM 484 CG2 ILE A 34 1.576 -2.980 -3.204 1.00 0.00 C ATOM 485 CD1 ILE A 34 -0.381 -4.901 -1.789 1.00 0.00 C ATOM 0 H ILE A 34 3.161 -5.460 -0.386 1.00 0.00 H new ATOM 0 HA ILE A 34 3.716 -4.412 -2.893 1.00 0.00 H new ATOM 0 HB ILE A 34 1.614 -3.338 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.262 -5.605 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.496 -5.837 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.499 -2.821 -3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.082 -2.017 -3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.913 -3.502 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.914 -5.850 -1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.528 -4.459 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.766 -4.224 -2.551 1.00 0.00 H new ATOM 497 N ILE A 35 4.223 -2.276 -0.330 1.00 0.00 N ATOM 498 CA ILE A 35 4.982 -1.040 -0.031 1.00 0.00 C ATOM 499 C ILE A 35 6.402 -1.062 -0.581 1.00 0.00 C ATOM 500 O ILE A 35 6.867 -0.051 -1.109 1.00 0.00 O ATOM 501 CB ILE A 35 4.986 -0.650 1.464 1.00 0.00 C ATOM 502 CG1 ILE A 35 4.249 0.691 1.616 1.00 0.00 C ATOM 503 CG2 ILE A 35 6.356 -0.527 2.169 1.00 0.00 C ATOM 504 CD1 ILE A 35 4.837 1.901 0.891 1.00 0.00 C ATOM 0 H ILE A 35 3.836 -2.756 0.482 1.00 0.00 H new ATOM 0 HA ILE A 35 4.431 -0.262 -0.559 1.00 0.00 H new ATOM 0 HB ILE A 35 4.500 -1.490 1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.225 0.554 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.196 0.928 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.205 -0.248 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.877 -1.483 2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.954 0.237 1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.218 2.777 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.849 2.085 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.864 1.705 -0.181 1.00 0.00 H new ATOM 516 N SER A 36 7.067 -2.213 -0.506 1.00 0.00 N ATOM 517 CA SER A 36 8.393 -2.376 -1.100 1.00 0.00 C ATOM 518 C SER A 36 8.322 -2.181 -2.618 1.00 0.00 C ATOM 519 O SER A 36 9.101 -1.394 -3.158 1.00 0.00 O ATOM 520 CB SER A 36 8.996 -3.733 -0.724 1.00 0.00 C ATOM 521 OG SER A 36 10.381 -3.749 -1.029 1.00 0.00 O ATOM 0 H SER A 36 6.710 -3.047 -0.040 1.00 0.00 H new ATOM 0 HA SER A 36 9.056 -1.610 -0.698 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.847 -3.925 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.486 -4.530 -1.266 1.00 0.00 H new ATOM 0 HG SER A 36 10.760 -4.619 -0.784 1.00 0.00 H new ATOM 527 N GLU A 37 7.328 -2.769 -3.303 1.00 0.00 N ATOM 528 CA GLU A 37 7.135 -2.529 -4.743 1.00 0.00 C ATOM 529 C GLU A 37 6.826 -1.050 -5.046 1.00 0.00 C ATOM 530 O GLU A 37 7.454 -0.451 -5.917 1.00 0.00 O ATOM 531 CB GLU A 37 6.026 -3.417 -5.343 1.00 0.00 C ATOM 532 CG GLU A 37 6.122 -4.929 -5.083 1.00 0.00 C ATOM 533 CD GLU A 37 7.520 -5.534 -5.318 1.00 0.00 C ATOM 534 OE1 GLU A 37 8.154 -5.235 -6.360 1.00 0.00 O ATOM 535 OE2 GLU A 37 7.973 -6.347 -4.476 1.00 0.00 O ATOM 0 H GLU A 37 6.651 -3.409 -2.888 1.00 0.00 H new ATOM 0 HA GLU A 37 8.082 -2.794 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.068 -3.068 -4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.013 -3.259 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.824 -5.127 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.406 -5.441 -5.726 1.00 0.00 H new ATOM 542 N ILE A 38 5.904 -0.429 -4.304 1.00 0.00 N ATOM 543 CA ILE A 38 5.440 0.949 -4.509 1.00 0.00 C ATOM 544 C ILE A 38 6.594 1.951 -4.331 1.00 0.00 C ATOM 545 O ILE A 38 6.964 2.687 -5.259 1.00 0.00 O ATOM 546 CB ILE A 38 4.229 1.178 -3.564 1.00 0.00 C ATOM 547 CG1 ILE A 38 2.964 0.548 -4.193 1.00 0.00 C ATOM 548 CG2 ILE A 38 3.975 2.636 -3.232 1.00 0.00 C ATOM 549 CD1 ILE A 38 1.719 0.554 -3.289 1.00 0.00 C ATOM 0 H ILE A 38 5.444 -0.886 -3.517 1.00 0.00 H new ATOM 0 HA ILE A 38 5.101 1.114 -5.532 1.00 0.00 H new ATOM 0 HB ILE A 38 4.473 0.695 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.729 1.082 -5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.188 -0.482 -4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.114 2.713 -2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.852 3.055 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.776 3.189 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.884 0.092 -3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.928 -0.007 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.462 1.581 -3.031 1.00 0.00 H new ATOM 561 N GLN A 39 7.242 1.918 -3.167 1.00 0.00 N ATOM 562 CA GLN A 39 8.374 2.793 -2.882 1.00 0.00 C ATOM 563 C GLN A 39 9.536 2.532 -3.852 1.00 0.00 C ATOM 564 O GLN A 39 10.212 3.478 -4.258 1.00 0.00 O ATOM 565 CB GLN A 39 8.836 2.618 -1.433 1.00 0.00 C ATOM 566 CG GLN A 39 7.939 3.287 -0.372 1.00 0.00 C ATOM 567 CD GLN A 39 8.665 3.523 0.954 1.00 0.00 C ATOM 568 OE1 GLN A 39 9.593 2.824 1.343 1.00 0.00 O ATOM 569 NE2 GLN A 39 8.271 4.539 1.689 1.00 0.00 N ATOM 0 H GLN A 39 6.998 1.289 -2.402 1.00 0.00 H new ATOM 0 HA GLN A 39 8.045 3.823 -3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.897 1.552 -1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.845 3.021 -1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.577 4.240 -0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.064 2.661 -0.196 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.499 5.127 1.374 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.737 4.739 2.574 1.00 0.00 H new ATOM 578 N ASN A 40 9.729 1.285 -4.297 1.00 0.00 N ATOM 579 CA ASN A 40 10.684 0.971 -5.365 1.00 0.00 C ATOM 580 C ASN A 40 10.302 1.590 -6.726 1.00 0.00 C ATOM 581 O ASN A 40 11.198 2.071 -7.421 1.00 0.00 O ATOM 582 CB ASN A 40 10.875 -0.549 -5.459 1.00 0.00 C ATOM 583 CG ASN A 40 11.868 -0.941 -6.541 1.00 0.00 C ATOM 584 OD1 ASN A 40 13.060 -0.681 -6.448 1.00 0.00 O ATOM 585 ND2 ASN A 40 11.415 -1.568 -7.604 1.00 0.00 N ATOM 0 H ASN A 40 9.233 0.473 -3.931 1.00 0.00 H new ATOM 0 HA ASN A 40 11.636 1.432 -5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.220 -0.930 -4.498 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.914 -1.022 -5.663 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.057 -1.837 -8.350 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.422 -1.786 -7.683 1.00 0.00 H new ATOM 592 N GLN A 41 9.017 1.667 -7.108 1.00 0.00 N ATOM 593 CA GLN A 41 8.618 2.353 -8.339 1.00 0.00 C ATOM 594 C GLN A 41 8.972 3.836 -8.245 1.00 0.00 C ATOM 595 O GLN A 41 9.658 4.346 -9.135 1.00 0.00 O ATOM 596 CB GLN A 41 7.125 2.161 -8.651 1.00 0.00 C ATOM 597 CG GLN A 41 6.810 0.713 -9.052 1.00 0.00 C ATOM 598 CD GLN A 41 5.400 0.509 -9.611 1.00 0.00 C ATOM 599 OE1 GLN A 41 4.547 1.389 -9.627 1.00 0.00 O ATOM 600 NE2 GLN A 41 5.090 -0.678 -10.092 1.00 0.00 N ATOM 0 H GLN A 41 8.242 1.263 -6.582 1.00 0.00 H new ATOM 0 HA GLN A 41 9.170 1.906 -9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.533 2.434 -7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.832 2.834 -9.457 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.535 0.389 -9.799 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.940 0.070 -8.181 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.783 -1.426 -10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.157 -0.849 -10.467 1.00 0.00 H new ATOM 609 N LEU A 42 8.643 4.492 -7.123 1.00 0.00 N ATOM 610 CA LEU A 42 9.057 5.892 -6.938 1.00 0.00 C ATOM 611 C LEU A 42 10.585 6.076 -6.962 1.00 0.00 C ATOM 612 O LEU A 42 11.080 7.032 -7.557 1.00 0.00 O ATOM 613 CB LEU A 42 8.426 6.454 -5.658 1.00 0.00 C ATOM 614 CG LEU A 42 8.624 7.982 -5.494 1.00 0.00 C ATOM 615 CD1 LEU A 42 7.441 8.602 -4.758 1.00 0.00 C ATOM 616 CD2 LEU A 42 9.878 8.315 -4.676 1.00 0.00 C ATOM 0 H LEU A 42 8.109 4.093 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 42 8.688 6.464 -7.790 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.359 6.232 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.856 5.945 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 42 8.719 8.384 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.600 9.675 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.527 8.424 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.350 8.151 -3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.977 9.397 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.792 7.875 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.757 7.910 -5.177 1.00 0.00 H new ATOM 628 N GLN A 43 11.333 5.154 -6.354 1.00 0.00 N ATOM 629 CA GLN A 43 12.787 5.264 -6.200 1.00 0.00 C ATOM 630 C GLN A 43 13.568 4.984 -7.500 1.00 0.00 C ATOM 631 O GLN A 43 14.633 5.571 -7.701 1.00 0.00 O ATOM 632 CB GLN A 43 13.236 4.351 -5.045 1.00 0.00 C ATOM 633 CG GLN A 43 14.710 4.514 -4.640 1.00 0.00 C ATOM 634 CD GLN A 43 15.044 5.939 -4.205 1.00 0.00 C ATOM 635 OE1 GLN A 43 14.817 6.334 -3.068 1.00 0.00 O ATOM 636 NE2 GLN A 43 15.546 6.771 -5.091 1.00 0.00 N ATOM 0 H GLN A 43 10.944 4.302 -5.950 1.00 0.00 H new ATOM 0 HA GLN A 43 13.023 6.300 -5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.609 4.551 -4.176 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.063 3.313 -5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.938 3.826 -3.825 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.347 4.235 -5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.738 6.450 -6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.743 7.737 -4.829 1.00 0.00 H new ATOM 645 N ASN A 44 13.053 4.131 -8.394 1.00 0.00 N ATOM 646 CA ASN A 44 13.738 3.733 -9.636 1.00 0.00 C ATOM 647 C ASN A 44 13.566 4.719 -10.818 1.00 0.00 C ATOM 648 O ASN A 44 14.060 4.446 -11.915 1.00 0.00 O ATOM 649 CB ASN A 44 13.381 2.267 -9.982 1.00 0.00 C ATOM 650 CG ASN A 44 12.307 2.073 -11.049 1.00 0.00 C ATOM 651 OD1 ASN A 44 12.490 1.333 -12.006 1.00 0.00 O ATOM 652 ND2 ASN A 44 11.161 2.712 -10.957 1.00 0.00 N ATOM 0 H ASN A 44 12.140 3.692 -8.277 1.00 0.00 H new ATOM 0 HA ASN A 44 14.810 3.786 -9.445 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.288 1.761 -10.312 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.053 1.769 -9.070 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.447 2.585 -11.675 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.986 3.334 -10.168 1.00 0.00 H new ATOM 659 N LEU A 45 12.881 5.852 -10.610 1.00 0.00 N ATOM 660 CA LEU A 45 12.622 6.877 -11.634 1.00 0.00 C ATOM 661 C LEU A 45 12.814 8.301 -11.068 1.00 0.00 C ATOM 662 O LEU A 45 11.897 9.126 -11.061 1.00 0.00 O ATOM 663 CB LEU A 45 11.245 6.597 -12.280 1.00 0.00 C ATOM 664 CG LEU A 45 10.894 7.444 -13.525 1.00 0.00 C ATOM 665 CD1 LEU A 45 11.992 7.436 -14.592 1.00 0.00 C ATOM 666 CD2 LEU A 45 9.621 6.901 -14.178 1.00 0.00 C ATOM 0 H LEU A 45 12.481 6.088 -9.702 1.00 0.00 H new ATOM 0 HA LEU A 45 13.357 6.821 -12.437 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.204 5.544 -12.559 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.473 6.758 -11.527 1.00 0.00 H new ATOM 0 HG LEU A 45 10.768 8.466 -13.167 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.682 8.049 -15.438 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.913 7.839 -14.170 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.165 6.414 -14.929 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.378 7.501 -15.055 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.780 5.866 -14.479 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.798 6.949 -13.465 1.00 0.00 H new ATOM 678 N LYS A 46 14.030 8.571 -10.569 1.00 0.00 N ATOM 679 CA LYS A 46 14.491 9.862 -10.016 1.00 0.00 C ATOM 680 C LYS A 46 15.716 10.397 -10.771 1.00 0.00 C ATOM 681 O LYS A 46 15.730 11.607 -11.096 1.00 0.00 O ATOM 682 CB LYS A 46 14.792 9.720 -8.510 1.00 0.00 C ATOM 683 CG LYS A 46 13.593 9.298 -7.639 1.00 0.00 C ATOM 684 CD LYS A 46 12.398 10.267 -7.656 1.00 0.00 C ATOM 685 CE LYS A 46 12.755 11.625 -7.039 1.00 0.00 C ATOM 686 NZ LYS A 46 11.632 12.587 -7.154 1.00 0.00 N ATOM 687 OXT LYS A 46 16.655 9.611 -11.040 1.00 0.00 O ATOM 0 H LYS A 46 14.760 7.859 -10.537 1.00 0.00 H new ATOM 0 HA LYS A 46 13.689 10.588 -10.146 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.589 8.988 -8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.172 10.672 -8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.250 8.318 -7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.934 9.185 -6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.062 10.412 -8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.565 9.827 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.015 11.492 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.636 12.031 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.710 13.303 -6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.668 13.053 -8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.729 12.080 -7.056 1.00 0.00 H new TER 701 LYS A 46 ATOM 702 N MET B 1 -13.162 -26.031 -3.054 1.00 0.00 N ATOM 703 CA MET B 1 -13.170 -25.067 -1.921 1.00 0.00 C ATOM 704 C MET B 1 -11.976 -24.110 -2.022 1.00 0.00 C ATOM 705 O MET B 1 -10.903 -24.507 -2.478 1.00 0.00 O ATOM 706 CB MET B 1 -13.201 -25.805 -0.565 1.00 0.00 C ATOM 707 CG MET B 1 -13.396 -24.879 0.644 1.00 0.00 C ATOM 708 SD MET B 1 -14.878 -23.831 0.572 1.00 0.00 S ATOM 709 CE MET B 1 -14.710 -22.962 2.155 1.00 0.00 C ATOM 0 H1 MET B 1 -13.928 -25.794 -3.716 1.00 0.00 H new ATOM 0 H2 MET B 1 -12.248 -25.978 -3.548 1.00 0.00 H new ATOM 0 H3 MET B 1 -13.304 -26.995 -2.691 1.00 0.00 H new ATOM 0 HA MET B 1 -14.080 -24.469 -1.981 1.00 0.00 H new ATOM 0 HB2 MET B 1 -14.006 -26.540 -0.581 1.00 0.00 H new ATOM 0 HB3 MET B 1 -12.269 -26.356 -0.441 1.00 0.00 H new ATOM 0 HG2 MET B 1 -13.443 -25.488 1.546 1.00 0.00 H new ATOM 0 HG3 MET B 1 -12.519 -24.238 0.738 1.00 0.00 H new ATOM 0 HE1 MET B 1 -15.542 -22.270 2.280 1.00 0.00 H new ATOM 0 HE2 MET B 1 -14.715 -23.686 2.970 1.00 0.00 H new ATOM 0 HE3 MET B 1 -13.772 -22.407 2.168 1.00 0.00 H new ATOM 721 N ASN B 2 -12.148 -22.851 -1.600 1.00 0.00 N ATOM 722 CA ASN B 2 -11.095 -21.824 -1.549 1.00 0.00 C ATOM 723 C ASN B 2 -11.205 -20.944 -0.284 1.00 0.00 C ATOM 724 O ASN B 2 -12.232 -20.945 0.400 1.00 0.00 O ATOM 725 CB ASN B 2 -11.123 -20.995 -2.852 1.00 0.00 C ATOM 726 CG ASN B 2 -12.360 -20.117 -2.994 1.00 0.00 C ATOM 727 OD1 ASN B 2 -12.485 -19.073 -2.372 1.00 0.00 O ATOM 728 ND2 ASN B 2 -13.307 -20.499 -3.822 1.00 0.00 N ATOM 0 H ASN B 2 -13.051 -22.506 -1.274 1.00 0.00 H new ATOM 0 HA ASN B 2 -10.125 -22.316 -1.477 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -10.235 -20.364 -2.890 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -11.070 -21.672 -3.704 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -14.141 -19.925 -3.943 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -13.208 -21.370 -4.344 1.00 0.00 H new ATOM 735 N CYS B 3 -10.143 -20.193 0.026 1.00 0.00 N ATOM 736 CA CYS B 3 -10.069 -19.261 1.158 1.00 0.00 C ATOM 737 C CYS B 3 -9.210 -18.027 0.808 1.00 0.00 C ATOM 738 O CYS B 3 -8.336 -18.097 -0.064 1.00 0.00 O ATOM 739 CB CYS B 3 -9.513 -20.024 2.372 1.00 0.00 C ATOM 740 SG CYS B 3 -9.746 -19.064 3.898 1.00 0.00 S ATOM 0 H CYS B 3 -9.283 -20.217 -0.522 1.00 0.00 H new ATOM 0 HA CYS B 3 -11.062 -18.881 1.397 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -10.015 -20.988 2.463 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -8.453 -20.229 2.224 1.00 0.00 H new ATOM 0 HG CYS B 3 -9.270 -19.731 4.907 1.00 0.00 H new ATOM 746 N MET B 4 -9.436 -16.901 1.492 1.00 0.00 N ATOM 747 CA MET B 4 -8.690 -15.653 1.291 1.00 0.00 C ATOM 748 C MET B 4 -7.275 -15.742 1.877 1.00 0.00 C ATOM 749 O MET B 4 -7.066 -15.586 3.080 1.00 0.00 O ATOM 750 CB MET B 4 -9.467 -14.462 1.879 1.00 0.00 C ATOM 751 CG MET B 4 -10.428 -13.860 0.850 1.00 0.00 C ATOM 752 SD MET B 4 -11.893 -14.864 0.471 1.00 0.00 S ATOM 753 CE MET B 4 -12.669 -13.799 -0.775 1.00 0.00 C ATOM 0 H MET B 4 -10.154 -16.829 2.213 1.00 0.00 H new ATOM 0 HA MET B 4 -8.582 -15.493 0.218 1.00 0.00 H new ATOM 0 HB2 MET B 4 -10.027 -14.788 2.755 1.00 0.00 H new ATOM 0 HB3 MET B 4 -8.766 -13.698 2.215 1.00 0.00 H new ATOM 0 HG2 MET B 4 -10.759 -12.887 1.213 1.00 0.00 H new ATOM 0 HG3 MET B 4 -9.879 -13.685 -0.075 1.00 0.00 H new ATOM 0 HE1 MET B 4 -13.592 -14.261 -1.125 1.00 0.00 H new ATOM 0 HE2 MET B 4 -12.894 -12.828 -0.334 1.00 0.00 H new ATOM 0 HE3 MET B 4 -11.988 -13.667 -1.616 1.00 0.00 H new ATOM 763 N THR B 5 -6.294 -15.966 1.003 1.00 0.00 N ATOM 764 CA THR B 5 -4.867 -16.079 1.336 1.00 0.00 C ATOM 765 C THR B 5 -4.025 -15.094 0.527 1.00 0.00 C ATOM 766 O THR B 5 -4.389 -14.712 -0.588 1.00 0.00 O ATOM 767 CB THR B 5 -4.377 -17.522 1.147 1.00 0.00 C ATOM 768 OG1 THR B 5 -3.076 -17.646 1.670 1.00 0.00 O ATOM 769 CG2 THR B 5 -4.341 -17.982 -0.315 1.00 0.00 C ATOM 0 H THR B 5 -6.474 -16.079 0.005 1.00 0.00 H new ATOM 0 HA THR B 5 -4.747 -15.818 2.387 1.00 0.00 H new ATOM 0 HB THR B 5 -5.095 -18.152 1.671 1.00 0.00 H new ATOM 0 HG1 THR B 5 -2.762 -18.567 1.552 1.00 0.00 H new ATOM 0 HG21 THR B 5 -3.984 -19.011 -0.364 1.00 0.00 H new ATOM 0 HG22 THR B 5 -5.343 -17.925 -0.739 1.00 0.00 H new ATOM 0 HG23 THR B 5 -3.670 -17.338 -0.883 1.00 0.00 H new ATOM 777 N CYS B 6 -2.889 -14.687 1.085 1.00 0.00 N ATOM 778 CA CYS B 6 -1.925 -13.814 0.440 1.00 0.00 C ATOM 779 C CYS B 6 -1.300 -14.461 -0.804 1.00 0.00 C ATOM 780 O CYS B 6 -0.629 -15.484 -0.701 1.00 0.00 O ATOM 781 CB CYS B 6 -0.871 -13.403 1.477 1.00 0.00 C ATOM 782 SG CYS B 6 0.243 -12.193 0.725 1.00 0.00 S ATOM 0 H CYS B 6 -2.610 -14.966 2.026 1.00 0.00 H new ATOM 0 HA CYS B 6 -2.433 -12.922 0.074 1.00 0.00 H new ATOM 0 HB2 CYS B 6 -1.353 -12.977 2.357 1.00 0.00 H new ATOM 0 HB3 CYS B 6 -0.310 -14.276 1.812 1.00 0.00 H new ATOM 0 HG CYS B 6 1.020 -11.692 1.639 1.00 0.00 H new ATOM 788 N GLN B 7 -1.436 -13.841 -1.979 1.00 0.00 N ATOM 789 CA GLN B 7 -0.798 -14.347 -3.206 1.00 0.00 C ATOM 790 C GLN B 7 0.729 -14.092 -3.248 1.00 0.00 C ATOM 791 O GLN B 7 1.446 -14.747 -4.009 1.00 0.00 O ATOM 792 CB GLN B 7 -1.564 -13.769 -4.411 1.00 0.00 C ATOM 793 CG GLN B 7 -1.078 -14.241 -5.797 1.00 0.00 C ATOM 794 CD GLN B 7 -1.208 -15.747 -6.053 1.00 0.00 C ATOM 795 OE1 GLN B 7 -1.874 -16.495 -5.348 1.00 0.00 O ATOM 796 NE2 GLN B 7 -0.591 -16.253 -7.102 1.00 0.00 N ATOM 0 H GLN B 7 -1.981 -12.989 -2.111 1.00 0.00 H new ATOM 0 HA GLN B 7 -0.866 -15.434 -3.235 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -2.618 -14.028 -4.307 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -1.498 -12.682 -4.373 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -1.641 -13.708 -6.563 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -0.032 -13.957 -5.914 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -0.031 -15.650 -7.704 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -0.674 -17.248 -7.312 1.00 0.00 H new ATOM 805 N VAL B 8 1.244 -13.180 -2.411 1.00 0.00 N ATOM 806 CA VAL B 8 2.665 -12.761 -2.372 1.00 0.00 C ATOM 807 C VAL B 8 3.478 -13.468 -1.268 1.00 0.00 C ATOM 808 O VAL B 8 4.694 -13.615 -1.397 1.00 0.00 O ATOM 809 CB VAL B 8 2.738 -11.221 -2.255 1.00 0.00 C ATOM 810 CG1 VAL B 8 4.167 -10.671 -2.233 1.00 0.00 C ATOM 811 CG2 VAL B 8 2.022 -10.552 -3.439 1.00 0.00 C ATOM 0 H VAL B 8 0.672 -12.695 -1.719 1.00 0.00 H new ATOM 0 HA VAL B 8 3.134 -13.072 -3.305 1.00 0.00 H new ATOM 0 HB VAL B 8 2.258 -10.991 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.137 -9.585 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL B 8 4.704 -11.086 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL B 8 4.679 -10.950 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.085 -9.469 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.497 -10.857 -4.371 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.975 -10.855 -3.449 1.00 0.00 H new ATOM 821 N THR B 9 2.818 -13.949 -0.206 1.00 0.00 N ATOM 822 CA THR B 9 3.454 -14.616 0.959 1.00 0.00 C ATOM 823 C THR B 9 2.828 -15.968 1.308 1.00 0.00 C ATOM 824 O THR B 9 3.528 -16.875 1.764 1.00 0.00 O ATOM 825 CB THR B 9 3.433 -13.736 2.220 1.00 0.00 C ATOM 826 OG1 THR B 9 2.121 -13.626 2.733 1.00 0.00 O ATOM 827 CG2 THR B 9 3.936 -12.317 1.973 1.00 0.00 C ATOM 0 H THR B 9 1.803 -13.888 -0.122 1.00 0.00 H new ATOM 0 HA THR B 9 4.483 -14.783 0.640 1.00 0.00 H new ATOM 0 HB THR B 9 4.100 -14.232 2.925 1.00 0.00 H new ATOM 0 HG1 THR B 9 1.518 -13.317 2.025 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.895 -11.749 2.903 1.00 0.00 H new ATOM 0 HG22 THR B 9 4.965 -12.353 1.615 1.00 0.00 H new ATOM 0 HG23 THR B 9 3.308 -11.833 1.225 1.00 0.00 H new ATOM 835 N GLY B 10 1.519 -16.114 1.080 1.00 0.00 N ATOM 836 CA GLY B 10 0.751 -17.328 1.401 1.00 0.00 C ATOM 837 C GLY B 10 0.091 -17.313 2.785 1.00 0.00 C ATOM 838 O GLY B 10 -0.446 -18.334 3.219 1.00 0.00 O ATOM 0 H GLY B 10 0.950 -15.380 0.659 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.022 -17.465 0.645 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.415 -18.190 1.338 1.00 0.00 H new ATOM 842 N GLU B 11 0.133 -16.183 3.498 1.00 0.00 N ATOM 843 CA GLU B 11 -0.541 -16.006 4.789 1.00 0.00 C ATOM 844 C GLU B 11 -2.041 -15.714 4.661 1.00 0.00 C ATOM 845 O GLU B 11 -2.484 -14.960 3.801 1.00 0.00 O ATOM 846 CB GLU B 11 0.150 -14.906 5.605 1.00 0.00 C ATOM 847 CG GLU B 11 1.452 -15.407 6.235 1.00 0.00 C ATOM 848 CD GLU B 11 1.258 -16.558 7.248 1.00 0.00 C ATOM 849 OE1 GLU B 11 0.239 -16.581 7.979 1.00 0.00 O ATOM 850 OE2 GLU B 11 2.130 -17.458 7.316 1.00 0.00 O ATOM 0 H GLU B 11 0.643 -15.354 3.191 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.458 -16.959 5.312 1.00 0.00 H new ATOM 0 HB2 GLU B 11 0.361 -14.052 4.961 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -0.523 -14.556 6.388 1.00 0.00 H new ATOM 0 HG2 GLU B 11 2.121 -15.743 5.443 1.00 0.00 H new ATOM 0 HG3 GLU B 11 1.945 -14.574 6.737 1.00 0.00 H new ATOM 857 N VAL B 12 -2.816 -16.288 5.577 1.00 0.00 N ATOM 858 CA VAL B 12 -4.288 -16.202 5.633 1.00 0.00 C ATOM 859 C VAL B 12 -4.760 -15.623 6.970 1.00 0.00 C ATOM 860 O VAL B 12 -4.553 -16.216 8.032 1.00 0.00 O ATOM 861 CB VAL B 12 -4.963 -17.551 5.275 1.00 0.00 C ATOM 862 CG1 VAL B 12 -4.286 -18.783 5.898 1.00 0.00 C ATOM 863 CG2 VAL B 12 -6.450 -17.603 5.655 1.00 0.00 C ATOM 0 H VAL B 12 -2.429 -16.850 6.335 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.612 -15.501 4.864 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.849 -17.594 4.192 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.821 -19.684 5.597 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.253 -18.843 5.555 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.303 -18.697 6.984 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.863 -18.573 5.378 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.556 -17.457 6.730 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -6.988 -16.816 5.127 1.00 0.00 H new ATOM 873 N SER B 13 -5.410 -14.461 6.905 1.00 0.00 N ATOM 874 CA SER B 13 -5.969 -13.714 8.035 1.00 0.00 C ATOM 875 C SER B 13 -7.476 -13.461 7.861 1.00 0.00 C ATOM 876 O SER B 13 -7.986 -13.364 6.742 1.00 0.00 O ATOM 877 CB SER B 13 -5.189 -12.400 8.168 1.00 0.00 C ATOM 878 OG SER B 13 -4.898 -11.866 6.883 1.00 0.00 O ATOM 0 H SER B 13 -5.570 -13.989 6.015 1.00 0.00 H new ATOM 0 HA SER B 13 -5.866 -14.300 8.948 1.00 0.00 H new ATOM 0 HB2 SER B 13 -5.771 -11.681 8.745 1.00 0.00 H new ATOM 0 HB3 SER B 13 -4.263 -12.573 8.716 1.00 0.00 H new ATOM 0 HG SER B 13 -3.927 -11.807 6.766 1.00 0.00 H new ATOM 884 N ASP B 14 -8.217 -13.337 8.965 1.00 0.00 N ATOM 885 CA ASP B 14 -9.664 -13.044 8.939 1.00 0.00 C ATOM 886 C ASP B 14 -9.976 -11.576 8.583 1.00 0.00 C ATOM 887 O ASP B 14 -11.024 -11.270 8.013 1.00 0.00 O ATOM 888 CB ASP B 14 -10.314 -13.427 10.278 1.00 0.00 C ATOM 889 CG ASP B 14 -9.941 -14.842 10.749 1.00 0.00 C ATOM 890 OD1 ASP B 14 -10.605 -15.817 10.318 1.00 0.00 O ATOM 891 OD2 ASP B 14 -8.994 -14.987 11.560 1.00 0.00 O ATOM 0 H ASP B 14 -7.836 -13.436 9.906 1.00 0.00 H new ATOM 0 HA ASP B 14 -10.093 -13.653 8.144 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -10.014 -12.707 11.039 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -11.397 -13.357 10.182 1.00 0.00 H new ATOM 896 N ASP B 15 -9.042 -10.671 8.880 1.00 0.00 N ATOM 897 CA ASP B 15 -9.100 -9.225 8.664 1.00 0.00 C ATOM 898 C ASP B 15 -8.372 -8.786 7.370 1.00 0.00 C ATOM 899 O ASP B 15 -7.912 -7.648 7.265 1.00 0.00 O ATOM 900 CB ASP B 15 -8.560 -8.520 9.921 1.00 0.00 C ATOM 901 CG ASP B 15 -9.103 -9.105 11.239 1.00 0.00 C ATOM 902 OD1 ASP B 15 -10.228 -8.735 11.651 1.00 0.00 O ATOM 903 OD2 ASP B 15 -8.408 -9.939 11.868 1.00 0.00 O ATOM 0 H ASP B 15 -8.160 -10.951 9.310 1.00 0.00 H new ATOM 0 HA ASP B 15 -10.137 -8.928 8.509 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -7.472 -8.586 9.925 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -8.815 -7.461 9.871 1.00 0.00 H new ATOM 908 N ASN B 16 -8.195 -9.715 6.418 1.00 0.00 N ATOM 909 CA ASN B 16 -7.201 -9.673 5.337 1.00 0.00 C ATOM 910 C ASN B 16 -7.199 -8.407 4.457 1.00 0.00 C ATOM 911 O ASN B 16 -8.234 -7.796 4.171 1.00 0.00 O ATOM 912 CB ASN B 16 -7.295 -10.948 4.481 1.00 0.00 C ATOM 913 CG ASN B 16 -8.696 -11.225 3.961 1.00 0.00 C ATOM 914 OD1 ASN B 16 -9.192 -10.587 3.045 1.00 0.00 O ATOM 915 ND2 ASN B 16 -9.385 -12.176 4.548 1.00 0.00 N ATOM 0 H ASN B 16 -8.770 -10.557 6.380 1.00 0.00 H new ATOM 0 HA ASN B 16 -6.239 -9.626 5.848 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -6.613 -10.860 3.636 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -6.960 -11.800 5.073 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -10.335 -12.382 4.239 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -8.970 -12.708 5.313 1.00 0.00 H new ATOM 922 N LEU B 17 -5.994 -8.053 4.009 1.00 0.00 N ATOM 923 CA LEU B 17 -5.623 -6.848 3.269 1.00 0.00 C ATOM 924 C LEU B 17 -5.795 -7.024 1.755 1.00 0.00 C ATOM 925 O LEU B 17 -5.869 -8.145 1.252 1.00 0.00 O ATOM 926 CB LEU B 17 -4.176 -6.456 3.672 1.00 0.00 C ATOM 927 CG LEU B 17 -3.994 -6.323 5.190 1.00 0.00 C ATOM 928 CD1 LEU B 17 -2.534 -6.023 5.496 1.00 0.00 C ATOM 929 CD2 LEU B 17 -4.923 -5.248 5.753 1.00 0.00 C ATOM 0 H LEU B 17 -5.185 -8.653 4.168 1.00 0.00 H new ATOM 0 HA LEU B 17 -6.296 -6.032 3.532 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -3.483 -7.206 3.292 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -3.915 -5.511 3.196 1.00 0.00 H new ATOM 0 HG LEU B 17 -4.263 -7.262 5.674 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -2.400 -5.928 6.574 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.910 -6.835 5.123 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -2.245 -5.091 5.011 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -4.778 -5.170 6.830 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -4.696 -4.290 5.286 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -5.959 -5.517 5.545 1.00 0.00 H new ATOM 941 N LYS B 18 -5.919 -5.916 1.016 1.00 0.00 N ATOM 942 CA LYS B 18 -6.108 -5.934 -0.445 1.00 0.00 C ATOM 943 C LYS B 18 -5.185 -4.960 -1.192 1.00 0.00 C ATOM 944 O LYS B 18 -4.781 -3.927 -0.659 1.00 0.00 O ATOM 945 CB LYS B 18 -7.586 -5.742 -0.841 1.00 0.00 C ATOM 946 CG LYS B 18 -8.553 -6.883 -0.477 1.00 0.00 C ATOM 947 CD LYS B 18 -9.160 -6.779 0.930 1.00 0.00 C ATOM 948 CE LYS B 18 -10.133 -7.931 1.201 1.00 0.00 C ATOM 949 NZ LYS B 18 -10.613 -7.909 2.605 1.00 0.00 N ATOM 0 H LYS B 18 -5.891 -4.977 1.413 1.00 0.00 H new ATOM 0 HA LYS B 18 -5.811 -6.932 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -7.948 -4.827 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -7.632 -5.588 -1.919 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -9.362 -6.904 -1.207 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -8.023 -7.832 -0.561 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -8.364 -6.790 1.674 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -9.681 -5.827 1.035 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -10.983 -7.860 0.522 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -9.641 -8.882 0.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -11.160 -8.772 2.798 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -9.798 -7.864 3.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -11.217 -7.076 2.752 1.00 0.00 H new ATOM 963 N LEU B 19 -4.852 -5.322 -2.434 1.00 0.00 N ATOM 964 CA LEU B 19 -3.875 -4.655 -3.306 1.00 0.00 C ATOM 965 C LEU B 19 -4.393 -3.321 -3.871 1.00 0.00 C ATOM 966 O LEU B 19 -5.595 -3.052 -3.875 1.00 0.00 O ATOM 967 CB LEU B 19 -3.416 -5.678 -4.371 1.00 0.00 C ATOM 968 CG LEU B 19 -2.096 -5.347 -5.107 1.00 0.00 C ATOM 969 CD1 LEU B 19 -1.196 -6.579 -5.174 1.00 0.00 C ATOM 970 CD2 LEU B 19 -2.350 -4.892 -6.544 1.00 0.00 C ATOM 0 H LEU B 19 -5.278 -6.132 -2.885 1.00 0.00 H new ATOM 0 HA LEU B 19 -3.001 -4.347 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -3.306 -6.649 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -4.207 -5.779 -5.114 1.00 0.00 H new ATOM 0 HG LEU B 19 -1.619 -4.545 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.272 -6.327 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -0.963 -6.914 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -1.710 -7.376 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.399 -4.669 -7.028 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -2.859 -5.685 -7.092 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.973 -3.998 -6.538 1.00 0.00 H new ATOM 982 N ALA B 20 -3.482 -2.470 -4.338 1.00 0.00 N ATOM 983 CA ALA B 20 -3.755 -1.065 -4.654 1.00 0.00 C ATOM 984 C ALA B 20 -4.411 -0.843 -6.034 1.00 0.00 C ATOM 985 O ALA B 20 -4.339 -1.708 -6.911 1.00 0.00 O ATOM 986 CB ALA B 20 -2.453 -0.268 -4.493 1.00 0.00 C ATOM 0 H ALA B 20 -2.514 -2.740 -4.512 1.00 0.00 H new ATOM 0 HA ALA B 20 -4.504 -0.702 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -2.638 0.781 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.097 -0.356 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -1.698 -0.662 -5.174 1.00 0.00 H new ATOM 992 N GLY B 21 -5.046 0.321 -6.233 1.00 0.00 N ATOM 993 CA GLY B 21 -5.730 0.667 -7.494 1.00 0.00 C ATOM 994 C GLY B 21 -5.718 2.164 -7.844 1.00 0.00 C ATOM 995 O GLY B 21 -5.697 2.512 -9.026 1.00 0.00 O ATOM 0 H GLY B 21 -5.102 1.053 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -5.262 0.114 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -6.765 0.331 -7.434 1.00 0.00 H new ATOM 999 N GLY B 22 -5.647 3.044 -6.840 1.00 0.00 N ATOM 1000 CA GLY B 22 -5.267 4.449 -6.993 1.00 0.00 C ATOM 1001 C GLY B 22 -6.427 5.441 -6.932 1.00 0.00 C ATOM 1002 O GLY B 22 -6.860 5.962 -7.962 1.00 0.00 O ATOM 0 H GLY B 22 -5.858 2.791 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -4.550 4.703 -6.212 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -4.755 4.570 -7.948 1.00 0.00 H new ATOM 1006 N LYS B 23 -6.897 5.739 -5.712 1.00 0.00 N ATOM 1007 CA LYS B 23 -7.967 6.728 -5.457 1.00 0.00 C ATOM 1008 C LYS B 23 -7.479 8.177 -5.304 1.00 0.00 C ATOM 1009 O LYS B 23 -8.235 9.108 -5.584 1.00 0.00 O ATOM 1010 CB LYS B 23 -8.791 6.314 -4.225 1.00 0.00 C ATOM 1011 CG LYS B 23 -9.498 4.959 -4.395 1.00 0.00 C ATOM 1012 CD LYS B 23 -10.250 4.573 -3.112 1.00 0.00 C ATOM 1013 CE LYS B 23 -10.802 3.141 -3.161 1.00 0.00 C ATOM 1014 NZ LYS B 23 -11.898 2.984 -4.155 1.00 0.00 N ATOM 0 H LYS B 23 -6.544 5.298 -4.862 1.00 0.00 H new ATOM 0 HA LYS B 23 -8.589 6.721 -6.352 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -8.134 6.267 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.537 7.082 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -10.196 5.010 -5.230 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -8.766 4.189 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -9.579 4.671 -2.258 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -11.072 5.271 -2.953 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -9.993 2.452 -3.405 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -11.170 2.863 -2.173 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -12.235 2.000 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -12.683 3.620 -3.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -11.543 3.222 -5.103 1.00 0.00 H new ATOM 1028 N LEU B 24 -6.235 8.367 -4.859 1.00 0.00 N ATOM 1029 CA LEU B 24 -5.598 9.672 -4.614 1.00 0.00 C ATOM 1030 C LEU B 24 -4.072 9.562 -4.734 1.00 0.00 C ATOM 1031 O LEU B 24 -3.531 8.470 -4.560 1.00 0.00 O ATOM 1032 CB LEU B 24 -5.990 10.161 -3.204 1.00 0.00 C ATOM 1033 CG LEU B 24 -5.716 11.652 -2.919 1.00 0.00 C ATOM 1034 CD1 LEU B 24 -6.482 12.595 -3.850 1.00 0.00 C ATOM 1035 CD2 LEU B 24 -6.147 11.947 -1.486 1.00 0.00 C ATOM 0 H LEU B 24 -5.614 7.585 -4.649 1.00 0.00 H new ATOM 0 HA LEU B 24 -5.942 10.387 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -7.053 9.970 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -5.452 9.563 -2.468 1.00 0.00 H new ATOM 0 HG LEU B 24 -4.652 11.826 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -6.245 13.628 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -6.194 12.399 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -7.553 12.430 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -5.963 12.997 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.210 11.732 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -5.577 11.322 -0.799 1.00 0.00 H new ATOM 1047 N VAL B 25 -3.382 10.679 -4.985 1.00 0.00 N ATOM 1048 CA VAL B 25 -1.915 10.736 -5.103 1.00 0.00 C ATOM 1049 C VAL B 25 -1.221 10.993 -3.762 1.00 0.00 C ATOM 1050 O VAL B 25 -1.592 11.880 -2.990 1.00 0.00 O ATOM 1051 CB VAL B 25 -1.464 11.770 -6.155 1.00 0.00 C ATOM 1052 CG1 VAL B 25 0.057 11.962 -6.165 1.00 0.00 C ATOM 1053 CG2 VAL B 25 -1.870 11.301 -7.554 1.00 0.00 C ATOM 0 H VAL B 25 -3.831 11.586 -5.115 1.00 0.00 H new ATOM 0 HA VAL B 25 -1.605 9.747 -5.441 1.00 0.00 H new ATOM 0 HB VAL B 25 -1.945 12.712 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL B 25 0.326 12.699 -6.922 1.00 0.00 H new ATOM 0 HG12 VAL B 25 0.386 12.310 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL B 25 0.542 11.013 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -1.548 12.036 -8.292 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -1.398 10.342 -7.768 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -2.953 11.190 -7.601 1.00 0.00 H new ATOM 1063 N LEU B 26 -0.189 10.188 -3.517 1.00 0.00 N ATOM 1064 CA LEU B 26 0.722 10.195 -2.375 1.00 0.00 C ATOM 1065 C LEU B 26 2.184 10.136 -2.854 1.00 0.00 C ATOM 1066 O LEU B 26 2.463 9.719 -3.972 1.00 0.00 O ATOM 1067 CB LEU B 26 0.353 9.064 -1.395 1.00 0.00 C ATOM 1068 CG LEU B 26 -0.883 9.396 -0.528 1.00 0.00 C ATOM 1069 CD1 LEU B 26 -2.223 9.028 -1.178 1.00 0.00 C ATOM 1070 CD2 LEU B 26 -0.841 8.635 0.788 1.00 0.00 C ATOM 0 H LEU B 26 0.052 9.446 -4.174 1.00 0.00 H new ATOM 0 HA LEU B 26 0.618 11.130 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU B 26 0.160 8.151 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU B 26 1.204 8.863 -0.744 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.831 10.476 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -3.039 9.293 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.334 9.573 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.249 7.956 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.721 8.885 1.381 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.830 7.563 0.588 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.058 8.911 1.339 1.00 0.00 H new ATOM 1082 N SER B 27 3.146 10.570 -2.041 1.00 0.00 N ATOM 1083 CA SER B 27 4.581 10.356 -2.307 1.00 0.00 C ATOM 1084 C SER B 27 5.083 9.144 -1.518 1.00 0.00 C ATOM 1085 O SER B 27 4.285 8.446 -0.893 1.00 0.00 O ATOM 1086 CB SER B 27 5.347 11.635 -1.974 1.00 0.00 C ATOM 1087 OG SER B 27 6.684 11.541 -2.437 1.00 0.00 O ATOM 0 H SER B 27 2.960 11.081 -1.178 1.00 0.00 H new ATOM 0 HA SER B 27 4.747 10.136 -3.362 1.00 0.00 H new ATOM 0 HB2 SER B 27 4.855 12.492 -2.434 1.00 0.00 H new ATOM 0 HB3 SER B 27 5.339 11.802 -0.897 1.00 0.00 H new ATOM 0 HG SER B 27 7.206 12.291 -2.084 1.00 0.00 H new ATOM 1093 N LYS B 28 6.395 8.891 -1.511 1.00 0.00 N ATOM 1094 CA LYS B 28 7.061 7.763 -0.828 1.00 0.00 C ATOM 1095 C LYS B 28 6.579 7.615 0.623 1.00 0.00 C ATOM 1096 O LYS B 28 6.207 6.524 1.082 1.00 0.00 O ATOM 1097 CB LYS B 28 8.585 8.009 -0.917 1.00 0.00 C ATOM 1098 CG LYS B 28 9.385 6.703 -0.974 1.00 0.00 C ATOM 1099 CD LYS B 28 10.903 6.939 -0.966 1.00 0.00 C ATOM 1100 CE LYS B 28 11.628 5.590 -1.046 1.00 0.00 C ATOM 1101 NZ LYS B 28 13.100 5.741 -0.886 1.00 0.00 N ATOM 0 H LYS B 28 7.058 9.491 -2.002 1.00 0.00 H new ATOM 0 HA LYS B 28 6.809 6.820 -1.313 1.00 0.00 H new ATOM 0 HB2 LYS B 28 8.803 8.604 -1.804 1.00 0.00 H new ATOM 0 HB3 LYS B 28 8.907 8.592 -0.054 1.00 0.00 H new ATOM 0 HG2 LYS B 28 9.114 6.078 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.111 6.153 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS B 28 11.189 7.569 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS B 28 11.195 7.468 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS B 28 11.245 4.925 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.413 5.119 -2.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 13.501 4.858 -0.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 13.530 5.952 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 13.299 6.519 -0.226 1.00 0.00 H new ATOM 1115 N GLU B 29 6.503 8.758 1.306 1.00 0.00 N ATOM 1116 CA GLU B 29 6.128 8.821 2.718 1.00 0.00 C ATOM 1117 C GLU B 29 4.609 8.705 2.910 1.00 0.00 C ATOM 1118 O GLU B 29 4.140 8.046 3.841 1.00 0.00 O ATOM 1119 CB GLU B 29 6.686 10.091 3.374 1.00 0.00 C ATOM 1120 CG GLU B 29 8.220 10.091 3.427 1.00 0.00 C ATOM 1121 CD GLU B 29 8.748 11.300 4.223 1.00 0.00 C ATOM 1122 OE1 GLU B 29 8.847 11.213 5.472 1.00 0.00 O ATOM 1123 OE2 GLU B 29 9.080 12.341 3.608 1.00 0.00 O ATOM 0 H GLU B 29 6.701 9.669 0.893 1.00 0.00 H new ATOM 0 HA GLU B 29 6.575 7.962 3.218 1.00 0.00 H new ATOM 0 HB2 GLU B 29 6.343 10.965 2.820 1.00 0.00 H new ATOM 0 HB3 GLU B 29 6.289 10.180 4.385 1.00 0.00 H new ATOM 0 HG2 GLU B 29 8.571 9.167 3.887 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.622 10.115 2.414 1.00 0.00 H new ATOM 1130 N GLY B 30 3.816 9.266 1.988 1.00 0.00 N ATOM 1131 CA GLY B 30 2.380 9.054 1.989 1.00 0.00 C ATOM 1132 C GLY B 30 2.026 7.580 1.771 1.00 0.00 C ATOM 1133 O GLY B 30 1.252 7.023 2.546 1.00 0.00 O ATOM 0 H GLY B 30 4.153 9.868 1.237 1.00 0.00 H new ATOM 0 HA2 GLY B 30 1.963 9.392 2.937 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.922 9.658 1.206 1.00 0.00 H new ATOM 1137 N ALA B 31 2.631 6.912 0.780 1.00 0.00 N ATOM 1138 CA ALA B 31 2.367 5.499 0.516 1.00 0.00 C ATOM 1139 C ALA B 31 2.736 4.651 1.739 1.00 0.00 C ATOM 1140 O ALA B 31 1.950 3.794 2.163 1.00 0.00 O ATOM 1141 CB ALA B 31 3.138 5.029 -0.730 1.00 0.00 C ATOM 0 H ALA B 31 3.310 7.334 0.147 1.00 0.00 H new ATOM 0 HA ALA B 31 1.302 5.374 0.321 1.00 0.00 H new ATOM 0 HB1 ALA B 31 2.929 3.975 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA B 31 2.824 5.615 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.207 5.164 -0.569 1.00 0.00 H new ATOM 1147 N GLU B 32 3.901 4.918 2.352 1.00 0.00 N ATOM 1148 CA GLU B 32 4.235 4.146 3.563 1.00 0.00 C ATOM 1149 C GLU B 32 3.266 4.433 4.736 1.00 0.00 C ATOM 1150 O GLU B 32 2.966 3.538 5.529 1.00 0.00 O ATOM 1151 CB GLU B 32 5.700 4.235 3.981 1.00 0.00 C ATOM 1152 CG GLU B 32 6.084 5.483 4.768 1.00 0.00 C ATOM 1153 CD GLU B 32 7.555 5.427 5.229 1.00 0.00 C ATOM 1154 OE1 GLU B 32 8.470 5.432 4.370 1.00 0.00 O ATOM 1155 OE2 GLU B 32 7.805 5.377 6.458 1.00 0.00 O ATOM 0 H GLU B 32 4.587 5.613 2.057 1.00 0.00 H new ATOM 0 HA GLU B 32 4.089 3.104 3.278 1.00 0.00 H new ATOM 0 HB2 GLU B 32 5.942 3.359 4.583 1.00 0.00 H new ATOM 0 HB3 GLU B 32 6.319 4.187 3.085 1.00 0.00 H new ATOM 0 HG2 GLU B 32 5.928 6.367 4.150 1.00 0.00 H new ATOM 0 HG3 GLU B 32 5.433 5.582 5.636 1.00 0.00 H new ATOM 1162 N GLN B 33 2.722 5.658 4.833 1.00 0.00 N ATOM 1163 CA GLN B 33 1.699 5.993 5.833 1.00 0.00 C ATOM 1164 C GLN B 33 0.372 5.256 5.575 1.00 0.00 C ATOM 1165 O GLN B 33 -0.279 4.799 6.521 1.00 0.00 O ATOM 1166 CB GLN B 33 1.516 7.520 5.903 1.00 0.00 C ATOM 1167 CG GLN B 33 0.721 7.992 7.132 1.00 0.00 C ATOM 1168 CD GLN B 33 1.458 7.732 8.446 1.00 0.00 C ATOM 1169 OE1 GLN B 33 1.178 6.793 9.178 1.00 0.00 O ATOM 1170 NE2 GLN B 33 2.438 8.541 8.794 1.00 0.00 N ATOM 0 H GLN B 33 2.977 6.436 4.225 1.00 0.00 H new ATOM 0 HA GLN B 33 2.044 5.647 6.807 1.00 0.00 H new ATOM 0 HB2 GLN B 33 2.497 7.995 5.912 1.00 0.00 H new ATOM 0 HB3 GLN B 33 1.007 7.858 5.000 1.00 0.00 H new ATOM 0 HG2 GLN B 33 0.516 9.059 7.040 1.00 0.00 H new ATOM 0 HG3 GLN B 33 -0.243 7.483 7.154 1.00 0.00 H new ATOM 0 HE21 GLN B 33 2.685 9.329 8.196 1.00 0.00 H new ATOM 0 HE22 GLN B 33 2.949 8.379 9.662 1.00 0.00 H new ATOM 1179 N ILE B 34 0.008 5.030 4.307 1.00 0.00 N ATOM 1180 CA ILE B 34 -1.107 4.123 3.985 1.00 0.00 C ATOM 1181 C ILE B 34 -0.777 2.720 4.471 1.00 0.00 C ATOM 1182 O ILE B 34 -1.632 2.088 5.071 1.00 0.00 O ATOM 1183 CB ILE B 34 -1.488 4.065 2.499 1.00 0.00 C ATOM 1184 CG1 ILE B 34 -1.887 5.465 2.020 1.00 0.00 C ATOM 1185 CG2 ILE B 34 -2.675 3.082 2.356 1.00 0.00 C ATOM 1186 CD1 ILE B 34 -2.028 5.509 0.497 1.00 0.00 C ATOM 0 H ILE B 34 0.459 5.454 3.496 1.00 0.00 H new ATOM 0 HA ILE B 34 -1.975 4.535 4.499 1.00 0.00 H new ATOM 0 HB ILE B 34 -0.649 3.724 1.893 1.00 0.00 H new ATOM 0 HG12 ILE B 34 -2.830 5.756 2.484 1.00 0.00 H new ATOM 0 HG13 ILE B 34 -1.138 6.189 2.340 1.00 0.00 H new ATOM 0 HG21 ILE B 34 -2.970 3.018 1.309 1.00 0.00 H new ATOM 0 HG22 ILE B 34 -2.375 2.095 2.709 1.00 0.00 H new ATOM 0 HG23 ILE B 34 -3.517 3.439 2.949 1.00 0.00 H new ATOM 0 HD11 ILE B 34 -2.312 6.515 0.187 1.00 0.00 H new ATOM 0 HD12 ILE B 34 -1.077 5.242 0.036 1.00 0.00 H new ATOM 0 HD13 ILE B 34 -2.796 4.802 0.182 1.00 0.00 H new ATOM 1198 N ILE B 35 0.439 2.214 4.262 1.00 0.00 N ATOM 1199 CA ILE B 35 0.774 0.881 4.794 1.00 0.00 C ATOM 1200 C ILE B 35 0.746 0.796 6.313 1.00 0.00 C ATOM 1201 O ILE B 35 0.371 -0.246 6.847 1.00 0.00 O ATOM 1202 CB ILE B 35 2.043 0.313 4.153 1.00 0.00 C ATOM 1203 CG1 ILE B 35 1.639 -0.904 3.299 1.00 0.00 C ATOM 1204 CG2 ILE B 35 3.201 -0.025 5.113 1.00 0.00 C ATOM 1205 CD1 ILE B 35 1.218 -2.127 4.114 1.00 0.00 C ATOM 0 H ILE B 35 1.187 2.681 3.749 1.00 0.00 H new ATOM 0 HA ILE B 35 -0.036 0.218 4.490 1.00 0.00 H new ATOM 0 HB ILE B 35 2.468 1.111 3.544 1.00 0.00 H new ATOM 0 HG12 ILE B 35 0.817 -0.617 2.643 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.477 -1.179 2.658 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.043 -0.419 4.543 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.510 0.877 5.641 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.870 -0.772 5.834 1.00 0.00 H new ATOM 0 HD11 ILE B 35 0.949 -2.939 3.439 1.00 0.00 H new ATOM 0 HD12 ILE B 35 2.045 -2.443 4.750 1.00 0.00 H new ATOM 0 HD13 ILE B 35 0.359 -1.872 4.735 1.00 0.00 H new ATOM 1217 N SER B 36 1.040 1.893 7.005 1.00 0.00 N ATOM 1218 CA SER B 36 0.768 1.979 8.437 1.00 0.00 C ATOM 1219 C SER B 36 -0.733 1.805 8.698 1.00 0.00 C ATOM 1220 O SER B 36 -1.113 0.936 9.481 1.00 0.00 O ATOM 1221 CB SER B 36 1.297 3.291 9.024 1.00 0.00 C ATOM 1222 OG SER B 36 1.287 3.233 10.442 1.00 0.00 O ATOM 0 H SER B 36 1.463 2.729 6.602 1.00 0.00 H new ATOM 0 HA SER B 36 1.296 1.170 8.942 1.00 0.00 H new ATOM 0 HB2 SER B 36 2.311 3.475 8.667 1.00 0.00 H new ATOM 0 HB3 SER B 36 0.683 4.124 8.683 1.00 0.00 H new ATOM 0 HG SER B 36 1.629 4.076 10.806 1.00 0.00 H new ATOM 1228 N GLU B 37 -1.608 2.508 7.961 1.00 0.00 N ATOM 1229 CA GLU B 37 -3.067 2.341 8.086 1.00 0.00 C ATOM 1230 C GLU B 37 -3.532 0.918 7.732 1.00 0.00 C ATOM 1231 O GLU B 37 -4.295 0.315 8.486 1.00 0.00 O ATOM 1232 CB GLU B 37 -3.820 3.366 7.215 1.00 0.00 C ATOM 1233 CG GLU B 37 -3.740 4.807 7.732 1.00 0.00 C ATOM 1234 CD GLU B 37 -4.589 4.972 9.005 1.00 0.00 C ATOM 1235 OE1 GLU B 37 -5.811 5.237 8.899 1.00 0.00 O ATOM 1236 OE2 GLU B 37 -4.070 4.784 10.133 1.00 0.00 O ATOM 0 H GLU B 37 -1.329 3.202 7.268 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.305 2.516 9.135 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -3.417 3.332 6.203 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -4.868 3.072 7.151 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.703 5.066 7.944 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -4.090 5.495 6.963 1.00 0.00 H new ATOM 1243 N ILE B 38 -3.043 0.341 6.630 1.00 0.00 N ATOM 1244 CA ILE B 38 -3.406 -1.003 6.178 1.00 0.00 C ATOM 1245 C ILE B 38 -2.985 -2.056 7.217 1.00 0.00 C ATOM 1246 O ILE B 38 -3.816 -2.814 7.719 1.00 0.00 O ATOM 1247 CB ILE B 38 -2.786 -1.214 4.776 1.00 0.00 C ATOM 1248 CG1 ILE B 38 -3.588 -0.438 3.704 1.00 0.00 C ATOM 1249 CG2 ILE B 38 -2.683 -2.681 4.402 1.00 0.00 C ATOM 1250 CD1 ILE B 38 -3.012 -0.523 2.280 1.00 0.00 C ATOM 0 H ILE B 38 -2.372 0.804 6.017 1.00 0.00 H new ATOM 0 HA ILE B 38 -4.486 -1.117 6.086 1.00 0.00 H new ATOM 0 HB ILE B 38 -1.770 -0.821 4.816 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.610 -0.816 3.691 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -3.640 0.610 3.998 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -2.242 -2.773 3.410 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -2.056 -3.198 5.128 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.678 -3.127 4.400 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -3.640 0.051 1.599 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -2.001 -0.116 2.272 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -2.986 -1.565 1.960 1.00 0.00 H new ATOM 1262 N GLN B 39 -1.716 -2.069 7.622 1.00 0.00 N ATOM 1263 CA GLN B 39 -1.222 -3.059 8.580 1.00 0.00 C ATOM 1264 C GLN B 39 -1.894 -2.898 9.954 1.00 0.00 C ATOM 1265 O GLN B 39 -2.167 -3.891 10.633 1.00 0.00 O ATOM 1266 CB GLN B 39 0.297 -2.965 8.716 1.00 0.00 C ATOM 1267 CG GLN B 39 1.095 -3.600 7.563 1.00 0.00 C ATOM 1268 CD GLN B 39 2.518 -3.966 7.988 1.00 0.00 C ATOM 1269 OE1 GLN B 39 3.185 -3.273 8.745 1.00 0.00 O ATOM 1270 NE2 GLN B 39 3.026 -5.084 7.524 1.00 0.00 N ATOM 0 H GLN B 39 -1.011 -1.405 7.302 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.479 -4.046 8.196 1.00 0.00 H new ATOM 0 HB2 GLN B 39 0.575 -1.914 8.794 1.00 0.00 H new ATOM 0 HB3 GLN B 39 0.593 -3.444 9.649 1.00 0.00 H new ATOM 0 HG2 GLN B 39 0.579 -4.494 7.214 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.134 -2.906 6.723 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.479 -5.669 6.893 1.00 0.00 H new ATOM 0 HE22 GLN B 39 3.968 -5.367 7.795 1.00 0.00 H new ATOM 1279 N ASN B 40 -2.236 -1.662 10.326 1.00 0.00 N ATOM 1280 CA ASN B 40 -3.054 -1.379 11.508 1.00 0.00 C ATOM 1281 C ASN B 40 -4.484 -1.940 11.371 1.00 0.00 C ATOM 1282 O ASN B 40 -4.995 -2.466 12.356 1.00 0.00 O ATOM 1283 CB ASN B 40 -3.073 0.137 11.769 1.00 0.00 C ATOM 1284 CG ASN B 40 -1.776 0.693 12.348 1.00 0.00 C ATOM 1285 OD1 ASN B 40 -0.881 -0.018 12.786 1.00 0.00 O ATOM 1286 ND2 ASN B 40 -1.657 2.001 12.425 1.00 0.00 N ATOM 0 H ASN B 40 -1.952 -0.827 9.814 1.00 0.00 H new ATOM 0 HA ASN B 40 -2.605 -1.884 12.363 1.00 0.00 H new ATOM 0 HB2 ASN B 40 -3.289 0.652 10.833 1.00 0.00 H new ATOM 0 HB3 ASN B 40 -3.890 0.365 12.454 1.00 0.00 H new ATOM 0 HD21 ASN B 40 -0.825 2.413 12.847 1.00 0.00 H new ATOM 0 HD22 ASN B 40 -2.397 2.603 12.063 1.00 0.00 H new ATOM 1293 N GLN B 41 -5.113 -1.914 10.188 1.00 0.00 N ATOM 1294 CA GLN B 41 -6.431 -2.529 9.963 1.00 0.00 C ATOM 1295 C GLN B 41 -6.369 -4.064 10.071 1.00 0.00 C ATOM 1296 O GLN B 41 -7.260 -4.664 10.675 1.00 0.00 O ATOM 1297 CB GLN B 41 -6.996 -2.097 8.598 1.00 0.00 C ATOM 1298 CG GLN B 41 -7.388 -0.609 8.523 1.00 0.00 C ATOM 1299 CD GLN B 41 -8.812 -0.298 8.983 1.00 0.00 C ATOM 1300 OE1 GLN B 41 -9.445 -1.023 9.738 1.00 0.00 O ATOM 1301 NE2 GLN B 41 -9.374 0.812 8.557 1.00 0.00 N ATOM 0 H GLN B 41 -4.723 -1.466 9.359 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.102 -2.177 10.746 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.254 -2.306 7.827 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -7.872 -2.705 8.370 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -6.691 -0.033 9.131 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -7.271 -0.268 7.494 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -8.865 1.432 7.927 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -10.319 1.053 8.857 1.00 0.00 H new ATOM 1310 N LEU B 42 -5.298 -4.705 9.573 1.00 0.00 N ATOM 1311 CA LEU B 42 -5.064 -6.147 9.804 1.00 0.00 C ATOM 1312 C LEU B 42 -4.894 -6.454 11.301 1.00 0.00 C ATOM 1313 O LEU B 42 -5.454 -7.428 11.806 1.00 0.00 O ATOM 1314 CB LEU B 42 -3.847 -6.614 8.977 1.00 0.00 C ATOM 1315 CG LEU B 42 -3.654 -8.116 8.674 1.00 0.00 C ATOM 1316 CD1 LEU B 42 -3.207 -8.959 9.866 1.00 0.00 C ATOM 1317 CD2 LEU B 42 -4.896 -8.725 8.053 1.00 0.00 C ATOM 0 H LEU B 42 -4.580 -4.251 9.008 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.939 -6.705 9.471 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -3.884 -6.092 8.021 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.951 -6.269 9.494 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.832 -8.140 7.958 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -3.098 -9.998 9.556 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -2.251 -8.589 10.235 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -3.952 -8.893 10.659 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -4.722 -9.782 7.854 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -5.736 -8.618 8.740 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -5.124 -8.213 7.118 1.00 0.00 H new ATOM 1329 N GLN B 43 -4.171 -5.593 12.024 1.00 0.00 N ATOM 1330 CA GLN B 43 -3.930 -5.752 13.462 1.00 0.00 C ATOM 1331 C GLN B 43 -5.214 -5.575 14.303 1.00 0.00 C ATOM 1332 O GLN B 43 -5.468 -6.372 15.210 1.00 0.00 O ATOM 1333 CB GLN B 43 -2.807 -4.789 13.877 1.00 0.00 C ATOM 1334 CG GLN B 43 -2.250 -5.083 15.276 1.00 0.00 C ATOM 1335 CD GLN B 43 -0.963 -4.300 15.525 1.00 0.00 C ATOM 1336 OE1 GLN B 43 0.089 -4.612 14.979 1.00 0.00 O ATOM 1337 NE2 GLN B 43 -0.988 -3.253 16.319 1.00 0.00 N ATOM 0 H GLN B 43 -3.734 -4.762 11.626 1.00 0.00 H new ATOM 0 HA GLN B 43 -3.612 -6.775 13.662 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -1.997 -4.849 13.150 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -3.184 -3.767 13.850 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -2.992 -4.820 16.030 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -2.056 -6.151 15.378 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -1.857 -2.983 16.779 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -0.138 -2.711 16.475 1.00 0.00 H new ATOM 1346 N ASN B 44 -6.042 -4.572 13.988 1.00 0.00 N ATOM 1347 CA ASN B 44 -7.390 -4.370 14.528 1.00 0.00 C ATOM 1348 C ASN B 44 -8.230 -3.477 13.587 1.00 0.00 C ATOM 1349 O ASN B 44 -7.846 -2.339 13.303 1.00 0.00 O ATOM 1350 CB ASN B 44 -7.274 -3.727 15.927 1.00 0.00 C ATOM 1351 CG ASN B 44 -8.624 -3.474 16.577 1.00 0.00 C ATOM 1352 OD1 ASN B 44 -9.003 -2.348 16.865 1.00 0.00 O ATOM 1353 ND2 ASN B 44 -9.406 -4.506 16.814 1.00 0.00 N ATOM 0 H ASN B 44 -5.778 -3.848 13.320 1.00 0.00 H new ATOM 0 HA ASN B 44 -7.897 -5.332 14.608 1.00 0.00 H new ATOM 0 HB2 ASN B 44 -6.682 -4.377 16.572 1.00 0.00 H new ATOM 0 HB3 ASN B 44 -6.734 -2.784 15.844 1.00 0.00 H new ATOM 0 HD21 ASN B 44 -10.324 -4.364 17.236 1.00 0.00 H new ATOM 0 HD22 ASN B 44 -9.094 -5.447 16.575 1.00 0.00 H new ATOM 1360 N LEU B 45 -9.395 -3.957 13.135 1.00 0.00 N ATOM 1361 CA LEU B 45 -10.280 -3.188 12.247 1.00 0.00 C ATOM 1362 C LEU B 45 -10.875 -1.959 12.964 1.00 0.00 C ATOM 1363 O LEU B 45 -11.380 -2.071 14.088 1.00 0.00 O ATOM 1364 CB LEU B 45 -11.395 -4.085 11.675 1.00 0.00 C ATOM 1365 CG LEU B 45 -10.925 -5.154 10.670 1.00 0.00 C ATOM 1366 CD1 LEU B 45 -12.093 -6.082 10.327 1.00 0.00 C ATOM 1367 CD2 LEU B 45 -10.429 -4.545 9.355 1.00 0.00 C ATOM 0 H LEU B 45 -9.750 -4.883 13.372 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.676 -2.821 11.417 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -11.899 -4.584 12.503 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -12.135 -3.451 11.187 1.00 0.00 H new ATOM 0 HG LEU B 45 -10.103 -5.690 11.145 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -11.760 -6.838 9.616 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -12.449 -6.569 11.235 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -12.902 -5.500 9.886 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -10.110 -5.341 8.683 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -11.235 -3.979 8.889 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -9.588 -3.881 9.556 1.00 0.00 H new ATOM 1379 N LYS B 46 -10.836 -0.798 12.300 1.00 0.00 N ATOM 1380 CA LYS B 46 -11.358 0.489 12.804 1.00 0.00 C ATOM 1381 C LYS B 46 -12.892 0.572 12.732 1.00 0.00 C ATOM 1382 O LYS B 46 -13.475 0.218 11.681 1.00 0.00 O ATOM 1383 CB LYS B 46 -10.700 1.669 12.068 1.00 0.00 C ATOM 1384 CG LYS B 46 -9.179 1.753 12.286 1.00 0.00 C ATOM 1385 CD LYS B 46 -8.612 3.050 11.691 1.00 0.00 C ATOM 1386 CE LYS B 46 -7.093 3.122 11.893 1.00 0.00 C ATOM 1387 NZ LYS B 46 -6.549 4.439 11.472 1.00 0.00 N ATOM 1388 OXT LYS B 46 -13.507 1.011 13.731 1.00 0.00 O ATOM 0 H LYS B 46 -10.429 -0.720 11.368 1.00 0.00 H new ATOM 0 HA LYS B 46 -11.094 0.550 13.860 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -10.902 1.580 11.001 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -11.160 2.599 12.403 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -8.957 1.710 13.352 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -8.693 0.893 11.824 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -8.845 3.100 10.627 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -9.087 3.910 12.162 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -6.856 2.948 12.943 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -6.611 2.329 11.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -5.511 4.419 11.526 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -6.841 4.639 10.494 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -6.914 5.182 12.101 1.00 0.00 H new TER 1402 LYS B 46