USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 869 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 18 SER OG : rot -82:sc= 0.435 USER MOD Set 1.2: A 74 ASN : amide:sc= -1.8! K(o=-1.4!,f=-2) USER MOD Set 2.1: A 40 TYR OH : rot -150:sc= -0.499 USER MOD Set 2.2: A 71 THR OG1 : rot 103:sc= 0.679 USER MOD Set 3.1: A 36 GLN : amide:sc= -0.0842 X(o=-0.073,f=-0.56) USER MOD Set 3.2: A 39 SER OG : rot 146:sc= 0.0111 USER MOD Set 4.1: A 19 GLN :FLIP amide:sc= -0.0406 F(o=-4.6,f=-1.4) USER MOD Set 4.2: A 70 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.6!) USER MOD Set 5.1: A 9 ASN : amide:sc= -0.333 X(o=-1.2,f=-0.91) USER MOD Set 5.2: A 12 GLN : amide:sc= -0.843 K(o=-1.2,f=-4.4!) USER MOD Set 6.1: A 2 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 145:sc= 0 (180deg=-1.52!) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.0946 (180deg=-0.0993) USER MOD Single : A 4 THR OG1 : rot -149:sc= 0.192 USER MOD Single : A 20 SER OG : rot 73:sc= 0.621 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 43 SER OG : rot 77:sc= 0.901 USER MOD Single : A 46 THR OG1 : rot 84:sc= 1.07 USER MOD Single : A 48 MET CE :methyl -171:sc= -0.0724 (180deg=-0.286) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 52 THR OG1 : rot 160:sc= -1.37 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.455 K(o=0.45,f=-1.2) USER MOD Single : A 63 MET CE :methyl -173:sc= -0.186 (180deg=-0.318) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= 0.53 (180deg=0.21) USER MOD Single : A 76 GLN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 100 LYS NZ :NH3+ -175:sc=-0.00206 (180deg=-0.0446) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 104 ASN : amide:sc= -0.0061 X(o=-0.0061,f=0) USER MOD Single : A 106 TYR OH : rot 165:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.082 2.917 21.478 1.00 13.31 N ATOM 2 CA MET A 1 1.933 2.140 20.221 1.00 5.14 C ATOM 3 C MET A 1 0.890 2.803 19.285 1.00 54.40 C ATOM 4 O MET A 1 0.676 2.320 18.174 1.00 35.45 O ATOM 5 CB MET A 1 1.538 0.661 20.549 1.00 1.44 C ATOM 6 CG MET A 1 1.599 -0.323 19.358 1.00 64.24 C ATOM 7 SD MET A 1 0.922 -1.955 19.745 1.00 53.12 S ATOM 8 CE MET A 1 0.986 -2.765 18.139 1.00 65.42 C ATOM 0 H1 MET A 1 2.844 2.505 22.053 1.00 13.31 H new ATOM 0 H2 MET A 1 2.316 3.904 21.250 1.00 13.31 H new ATOM 0 H3 MET A 1 1.190 2.887 22.013 1.00 13.31 H new ATOM 0 HA MET A 1 2.889 2.133 19.697 1.00 5.14 H new ATOM 0 HB2 MET A 1 2.197 0.293 21.336 1.00 1.44 H new ATOM 0 HB3 MET A 1 0.525 0.654 20.952 1.00 1.44 H new ATOM 0 HG2 MET A 1 1.050 0.101 18.517 1.00 64.24 H new ATOM 0 HG3 MET A 1 2.635 -0.433 19.039 1.00 64.24 H new ATOM 0 HE1 MET A 1 1.214 -3.822 18.274 1.00 65.42 H new ATOM 0 HE2 MET A 1 0.022 -2.662 17.641 1.00 65.42 H new ATOM 0 HE3 MET A 1 1.761 -2.302 17.529 1.00 65.42 H new ATOM 20 N THR A 2 0.278 3.936 19.722 1.00 75.34 N ATOM 21 CA THR A 2 -0.813 4.623 18.982 1.00 24.24 C ATOM 22 C THR A 2 -0.434 4.916 17.512 1.00 42.14 C ATOM 23 O THR A 2 -1.207 4.617 16.598 1.00 60.12 O ATOM 24 CB THR A 2 -1.226 5.960 19.699 1.00 4.20 C ATOM 25 OG1 THR A 2 -0.063 6.777 19.923 1.00 53.42 O ATOM 26 CG2 THR A 2 -1.936 5.702 21.044 1.00 70.12 C ATOM 0 H THR A 2 0.528 4.398 20.597 1.00 75.34 H new ATOM 0 HA THR A 2 -1.661 3.939 18.978 1.00 24.24 H new ATOM 0 HB THR A 2 -1.927 6.476 19.043 1.00 4.20 H new ATOM 0 HG1 THR A 2 -0.328 7.609 20.368 1.00 53.42 H new ATOM 0 HG21 THR A 2 -2.203 6.654 21.503 1.00 70.12 H new ATOM 0 HG22 THR A 2 -2.839 5.116 20.872 1.00 70.12 H new ATOM 0 HG23 THR A 2 -1.269 5.153 21.708 1.00 70.12 H new ATOM 34 N SER A 3 0.789 5.442 17.312 1.00 52.04 N ATOM 35 CA SER A 3 1.306 5.813 15.984 1.00 73.10 C ATOM 36 C SER A 3 1.543 4.562 15.096 1.00 13.44 C ATOM 37 O SER A 3 1.359 4.615 13.875 1.00 24.15 O ATOM 38 CB SER A 3 2.610 6.624 16.160 1.00 1.45 C ATOM 39 OG SER A 3 2.422 7.722 17.046 1.00 51.35 O ATOM 0 H SER A 3 1.447 5.622 18.070 1.00 52.04 H new ATOM 0 HA SER A 3 0.564 6.426 15.474 1.00 73.10 H new ATOM 0 HB2 SER A 3 3.396 5.974 16.545 1.00 1.45 H new ATOM 0 HB3 SER A 3 2.946 6.990 15.190 1.00 1.45 H new ATOM 0 HG SER A 3 3.264 8.215 17.139 1.00 51.35 H new ATOM 45 N THR A 4 1.940 3.440 15.742 1.00 23.31 N ATOM 46 CA THR A 4 2.162 2.145 15.072 1.00 1.53 C ATOM 47 C THR A 4 0.827 1.525 14.630 1.00 12.24 C ATOM 48 O THR A 4 0.730 0.993 13.534 1.00 14.20 O ATOM 49 CB THR A 4 2.925 1.134 16.000 1.00 12.51 C ATOM 50 OG1 THR A 4 4.169 1.706 16.443 1.00 13.31 O ATOM 51 CG2 THR A 4 3.204 -0.206 15.288 1.00 1.03 C ATOM 0 H THR A 4 2.115 3.412 16.747 1.00 23.31 H new ATOM 0 HA THR A 4 2.779 2.341 14.195 1.00 1.53 H new ATOM 0 HB THR A 4 2.281 0.935 16.857 1.00 12.51 H new ATOM 0 HG1 THR A 4 4.827 0.993 16.579 1.00 13.31 H new ATOM 0 HG21 THR A 4 3.733 -0.875 15.966 1.00 1.03 H new ATOM 0 HG22 THR A 4 2.260 -0.663 14.990 1.00 1.03 H new ATOM 0 HG23 THR A 4 3.816 -0.028 14.404 1.00 1.03 H new ATOM 59 N VAL A 5 -0.197 1.625 15.499 1.00 23.33 N ATOM 60 CA VAL A 5 -1.539 1.069 15.239 1.00 43.22 C ATOM 61 C VAL A 5 -2.197 1.830 14.073 1.00 3.14 C ATOM 62 O VAL A 5 -2.855 1.219 13.227 1.00 1.13 O ATOM 63 CB VAL A 5 -2.441 1.104 16.535 1.00 11.41 C ATOM 64 CG1 VAL A 5 -3.880 0.598 16.260 1.00 70.21 C ATOM 65 CG2 VAL A 5 -1.789 0.277 17.669 1.00 1.24 C ATOM 0 H VAL A 5 -0.117 2.094 16.401 1.00 23.33 H new ATOM 0 HA VAL A 5 -1.435 0.021 14.958 1.00 43.22 H new ATOM 0 HB VAL A 5 -2.516 2.145 16.848 1.00 11.41 H new ATOM 0 HG11 VAL A 5 -4.463 0.640 17.180 1.00 70.21 H new ATOM 0 HG12 VAL A 5 -4.349 1.228 15.504 1.00 70.21 H new ATOM 0 HG13 VAL A 5 -3.842 -0.431 15.902 1.00 70.21 H new ATOM 0 HG21 VAL A 5 -2.423 0.311 18.555 1.00 1.24 H new ATOM 0 HG22 VAL A 5 -1.674 -0.757 17.345 1.00 1.24 H new ATOM 0 HG23 VAL A 5 -0.810 0.694 17.907 1.00 1.24 H new ATOM 75 N GLU A 6 -1.960 3.164 14.023 1.00 41.21 N ATOM 76 CA GLU A 6 -2.355 4.008 12.880 1.00 22.22 C ATOM 77 C GLU A 6 -1.620 3.556 11.605 1.00 32.35 C ATOM 78 O GLU A 6 -2.247 3.343 10.577 1.00 30.25 O ATOM 79 CB GLU A 6 -2.037 5.507 13.140 1.00 33.23 C ATOM 80 CG GLU A 6 -2.838 6.168 14.271 1.00 43.41 C ATOM 81 CD GLU A 6 -2.468 7.650 14.461 1.00 14.21 C ATOM 82 OE1 GLU A 6 -1.285 7.934 14.758 1.00 31.31 O ATOM 83 OE2 GLU A 6 -3.347 8.528 14.301 1.00 21.43 O ATOM 0 H GLU A 6 -1.493 3.677 14.771 1.00 41.21 H new ATOM 0 HA GLU A 6 -3.432 3.896 12.751 1.00 22.22 H new ATOM 0 HB2 GLU A 6 -0.975 5.601 13.368 1.00 33.23 H new ATOM 0 HB3 GLU A 6 -2.215 6.063 12.220 1.00 33.23 H new ATOM 0 HG2 GLU A 6 -3.903 6.087 14.054 1.00 43.41 H new ATOM 0 HG3 GLU A 6 -2.660 5.629 15.202 1.00 43.41 H new ATOM 90 N PHE A 7 -0.283 3.382 11.723 1.00 61.41 N ATOM 91 CA PHE A 7 0.621 3.074 10.591 1.00 2.33 C ATOM 92 C PHE A 7 0.245 1.726 9.922 1.00 20.34 C ATOM 93 O PHE A 7 0.138 1.646 8.692 1.00 62.53 O ATOM 94 CB PHE A 7 2.094 3.070 11.104 1.00 1.33 C ATOM 95 CG PHE A 7 3.174 3.157 10.026 1.00 10.22 C ATOM 96 CD1 PHE A 7 3.411 4.366 9.361 1.00 42.53 C ATOM 97 CD2 PHE A 7 3.968 2.054 9.691 1.00 44.24 C ATOM 98 CE1 PHE A 7 4.409 4.471 8.411 1.00 61.43 C ATOM 99 CE2 PHE A 7 4.963 2.164 8.735 1.00 1.23 C ATOM 100 CZ PHE A 7 5.178 3.371 8.092 1.00 63.21 C ATOM 0 H PHE A 7 0.203 3.452 12.617 1.00 61.41 H new ATOM 0 HA PHE A 7 0.515 3.842 9.825 1.00 2.33 H new ATOM 0 HB2 PHE A 7 2.223 3.908 11.789 1.00 1.33 H new ATOM 0 HB3 PHE A 7 2.255 2.159 11.681 1.00 1.33 H new ATOM 0 HD1 PHE A 7 2.805 5.229 9.594 1.00 42.53 H new ATOM 0 HD2 PHE A 7 3.803 1.107 10.184 1.00 44.24 H new ATOM 0 HE1 PHE A 7 4.587 5.415 7.918 1.00 61.43 H new ATOM 0 HE2 PHE A 7 5.573 1.307 8.490 1.00 1.23 H new ATOM 0 HZ PHE A 7 5.949 3.452 7.340 1.00 63.21 H new ATOM 110 N ILE A 8 0.012 0.695 10.763 1.00 21.41 N ATOM 111 CA ILE A 8 -0.435 -0.639 10.321 1.00 3.15 C ATOM 112 C ILE A 8 -1.848 -0.540 9.715 1.00 70.41 C ATOM 113 O ILE A 8 -2.112 -1.151 8.687 1.00 44.22 O ATOM 114 CB ILE A 8 -0.437 -1.687 11.511 1.00 61.40 C ATOM 115 CG1 ILE A 8 1.002 -1.871 12.103 1.00 5.22 C ATOM 116 CG2 ILE A 8 -1.031 -3.057 11.071 1.00 13.53 C ATOM 117 CD1 ILE A 8 1.078 -2.775 13.327 1.00 12.50 C ATOM 0 H ILE A 8 0.130 0.768 11.773 1.00 21.41 H new ATOM 0 HA ILE A 8 0.270 -0.992 9.568 1.00 3.15 H new ATOM 0 HB ILE A 8 -1.080 -1.285 12.294 1.00 61.40 H new ATOM 0 HG12 ILE A 8 1.650 -2.279 11.327 1.00 5.22 H new ATOM 0 HG13 ILE A 8 1.399 -0.891 12.367 1.00 5.22 H new ATOM 0 HG21 ILE A 8 -1.015 -3.748 11.914 1.00 13.53 H new ATOM 0 HG22 ILE A 8 -2.059 -2.917 10.736 1.00 13.53 H new ATOM 0 HG23 ILE A 8 -0.436 -3.466 10.255 1.00 13.53 H new ATOM 0 HD11 ILE A 8 2.112 -2.842 13.666 1.00 12.50 H new ATOM 0 HD12 ILE A 8 0.461 -2.361 14.124 1.00 12.50 H new ATOM 0 HD13 ILE A 8 0.716 -3.770 13.068 1.00 12.50 H new ATOM 129 N ASN A 9 -2.734 0.263 10.358 1.00 54.34 N ATOM 130 CA ASN A 9 -4.127 0.469 9.889 1.00 43.31 C ATOM 131 C ASN A 9 -4.162 1.197 8.530 1.00 43.04 C ATOM 132 O ASN A 9 -5.100 1.016 7.739 1.00 61.41 O ATOM 133 CB ASN A 9 -4.947 1.257 10.939 1.00 60.40 C ATOM 134 CG ASN A 9 -6.445 1.396 10.615 1.00 2.23 C ATOM 135 OD1 ASN A 9 -7.062 2.420 10.921 1.00 21.15 O ATOM 136 ND2 ASN A 9 -7.054 0.365 10.030 1.00 51.03 N ATOM 0 H ASN A 9 -2.506 0.780 11.207 1.00 54.34 H new ATOM 0 HA ASN A 9 -4.578 -0.515 9.757 1.00 43.31 H new ATOM 0 HB2 ASN A 9 -4.843 0.764 11.906 1.00 60.40 H new ATOM 0 HB3 ASN A 9 -4.518 2.254 11.042 1.00 60.40 H new ATOM 0 HD21 ASN A 9 -8.052 0.411 9.825 1.00 51.03 H new ATOM 0 HD22 ASN A 9 -6.522 -0.471 9.787 1.00 51.03 H new ATOM 143 N ARG A 10 -3.133 2.010 8.278 1.00 1.42 N ATOM 144 CA ARG A 10 -2.943 2.688 6.997 1.00 63.03 C ATOM 145 C ARG A 10 -2.564 1.655 5.933 1.00 74.00 C ATOM 146 O ARG A 10 -3.137 1.649 4.851 1.00 12.41 O ATOM 147 CB ARG A 10 -1.850 3.775 7.110 1.00 3.42 C ATOM 148 CG ARG A 10 -2.239 5.012 7.946 1.00 12.02 C ATOM 149 CD ARG A 10 -1.063 5.984 8.143 1.00 13.35 C ATOM 150 NE ARG A 10 -1.407 7.077 9.068 1.00 61.52 N ATOM 151 CZ ARG A 10 -0.809 7.310 10.248 1.00 71.12 C ATOM 152 NH1 ARG A 10 0.187 6.535 10.677 1.00 23.31 N ATOM 153 NH2 ARG A 10 -1.220 8.318 11.000 1.00 14.21 N ATOM 0 H ARG A 10 -2.405 2.216 8.962 1.00 1.42 H new ATOM 0 HA ARG A 10 -3.873 3.179 6.710 1.00 63.03 H new ATOM 0 HB2 ARG A 10 -0.958 3.327 7.547 1.00 3.42 H new ATOM 0 HB3 ARG A 10 -1.582 4.104 6.106 1.00 3.42 H new ATOM 0 HG2 ARG A 10 -3.060 5.535 7.455 1.00 12.02 H new ATOM 0 HG3 ARG A 10 -2.605 4.688 8.920 1.00 12.02 H new ATOM 0 HD2 ARG A 10 -0.201 5.439 8.529 1.00 13.35 H new ATOM 0 HD3 ARG A 10 -0.771 6.401 7.179 1.00 13.35 H new ATOM 0 HE ARG A 10 -2.159 7.707 8.791 1.00 61.52 H new ATOM 0 HH11 ARG A 10 0.506 5.752 10.107 1.00 23.31 H new ATOM 0 HH12 ARG A 10 0.631 6.725 11.576 1.00 23.31 H new ATOM 0 HH21 ARG A 10 -1.986 8.912 10.682 1.00 14.21 H new ATOM 0 HH22 ARG A 10 -0.771 8.501 11.897 1.00 14.21 H new ATOM 167 N TRP A 11 -1.604 0.768 6.270 1.00 61.31 N ATOM 168 CA TRP A 11 -1.202 -0.341 5.380 1.00 62.00 C ATOM 169 C TRP A 11 -2.316 -1.402 5.246 1.00 42.21 C ATOM 170 O TRP A 11 -2.312 -2.158 4.276 1.00 21.32 O ATOM 171 CB TRP A 11 0.135 -0.984 5.835 1.00 30.24 C ATOM 172 CG TRP A 11 1.339 -0.095 5.597 1.00 22.02 C ATOM 173 CD1 TRP A 11 2.103 0.534 6.538 1.00 22.01 C ATOM 174 CD2 TRP A 11 1.894 0.281 4.319 1.00 45.35 C ATOM 175 NE1 TRP A 11 3.105 1.249 5.933 1.00 25.12 N ATOM 176 CE2 TRP A 11 2.993 1.122 4.577 1.00 1.40 C ATOM 177 CE3 TRP A 11 1.566 -0.004 2.984 1.00 35.20 C ATOM 178 CZ2 TRP A 11 3.775 1.664 3.561 1.00 24.33 C ATOM 179 CZ3 TRP A 11 2.342 0.540 1.974 1.00 25.01 C ATOM 180 CH2 TRP A 11 3.429 1.375 2.271 1.00 52.22 C ATOM 0 H TRP A 11 -1.093 0.799 7.152 1.00 61.31 H new ATOM 0 HA TRP A 11 -1.041 0.088 4.391 1.00 62.00 H new ATOM 0 HB2 TRP A 11 0.073 -1.223 6.897 1.00 30.24 H new ATOM 0 HB3 TRP A 11 0.277 -1.925 5.304 1.00 30.24 H new ATOM 0 HD1 TRP A 11 1.942 0.477 7.604 1.00 22.01 H new ATOM 0 HE1 TRP A 11 3.821 1.790 6.418 1.00 25.12 H new ATOM 0 HE3 TRP A 11 0.723 -0.637 2.749 1.00 35.20 H new ATOM 0 HZ2 TRP A 11 4.625 2.291 3.784 1.00 24.33 H new ATOM 0 HZ3 TRP A 11 2.107 0.318 0.944 1.00 25.01 H new ATOM 0 HH2 TRP A 11 4.005 1.799 1.462 1.00 52.22 H new ATOM 191 N GLN A 12 -3.263 -1.450 6.217 1.00 1.31 N ATOM 192 CA GLN A 12 -4.495 -2.255 6.087 1.00 4.44 C ATOM 193 C GLN A 12 -5.335 -1.656 4.955 1.00 73.41 C ATOM 194 O GLN A 12 -5.690 -2.350 4.013 1.00 54.21 O ATOM 195 CB GLN A 12 -5.341 -2.293 7.404 1.00 71.42 C ATOM 196 CG GLN A 12 -4.737 -3.113 8.558 1.00 61.42 C ATOM 197 CD GLN A 12 -5.646 -3.163 9.794 1.00 21.15 C ATOM 198 OE1 GLN A 12 -5.562 -2.315 10.682 1.00 3.13 O ATOM 199 NE2 GLN A 12 -6.536 -4.142 9.856 1.00 15.43 N ATOM 0 H GLN A 12 -3.193 -0.939 7.097 1.00 1.31 H new ATOM 0 HA GLN A 12 -4.207 -3.284 5.872 1.00 4.44 H new ATOM 0 HB2 GLN A 12 -5.491 -1.270 7.748 1.00 71.42 H new ATOM 0 HB3 GLN A 12 -6.326 -2.698 7.171 1.00 71.42 H new ATOM 0 HG2 GLN A 12 -4.544 -4.129 8.213 1.00 61.42 H new ATOM 0 HG3 GLN A 12 -3.775 -2.684 8.838 1.00 61.42 H new ATOM 0 HE21 GLN A 12 -6.587 -4.833 9.108 1.00 15.43 H new ATOM 0 HE22 GLN A 12 -7.171 -4.205 10.652 1.00 15.43 H new ATOM 208 N ARG A 13 -5.571 -0.329 5.054 1.00 11.44 N ATOM 209 CA ARG A 13 -6.366 0.442 4.082 1.00 51.22 C ATOM 210 C ARG A 13 -5.808 0.280 2.648 1.00 51.03 C ATOM 211 O ARG A 13 -6.566 0.036 1.719 1.00 4.35 O ATOM 212 CB ARG A 13 -6.390 1.945 4.489 1.00 62.22 C ATOM 213 CG ARG A 13 -7.226 2.861 3.554 1.00 63.41 C ATOM 214 CD ARG A 13 -8.749 2.593 3.645 1.00 72.40 C ATOM 215 NE ARG A 13 -9.527 3.377 2.659 1.00 33.25 N ATOM 216 CZ ARG A 13 -9.749 4.706 2.697 1.00 73.13 C ATOM 217 NH1 ARG A 13 -9.267 5.468 3.678 1.00 63.20 N ATOM 218 NH2 ARG A 13 -10.465 5.269 1.733 1.00 12.30 N ATOM 0 H ARG A 13 -5.210 0.239 5.820 1.00 11.44 H new ATOM 0 HA ARG A 13 -7.385 0.054 4.089 1.00 51.22 H new ATOM 0 HB2 ARG A 13 -6.785 2.026 5.502 1.00 62.22 H new ATOM 0 HB3 ARG A 13 -5.365 2.316 4.516 1.00 62.22 H new ATOM 0 HG2 ARG A 13 -7.031 3.903 3.807 1.00 63.41 H new ATOM 0 HG3 ARG A 13 -6.898 2.716 2.525 1.00 63.41 H new ATOM 0 HD2 ARG A 13 -8.937 1.531 3.488 1.00 72.40 H new ATOM 0 HD3 ARG A 13 -9.097 2.833 4.650 1.00 72.40 H new ATOM 0 HE ARG A 13 -9.933 2.863 1.877 1.00 33.25 H new ATOM 0 HH11 ARG A 13 -8.714 5.048 4.425 1.00 63.20 H new ATOM 0 HH12 ARG A 13 -9.451 6.471 3.682 1.00 63.20 H new ATOM 0 HH21 ARG A 13 -10.840 4.697 0.976 1.00 12.30 H new ATOM 0 HH22 ARG A 13 -10.641 6.274 1.749 1.00 12.30 H new ATOM 232 N ILE A 14 -4.473 0.376 2.511 1.00 72.31 N ATOM 233 CA ILE A 14 -3.775 0.311 1.213 1.00 72.45 C ATOM 234 C ILE A 14 -3.826 -1.117 0.625 1.00 72.44 C ATOM 235 O ILE A 14 -4.210 -1.298 -0.532 1.00 44.42 O ATOM 236 CB ILE A 14 -2.279 0.773 1.363 1.00 55.23 C ATOM 237 CG1 ILE A 14 -2.188 2.226 1.920 1.00 2.34 C ATOM 238 CG2 ILE A 14 -1.524 0.671 0.024 1.00 10.51 C ATOM 239 CD1 ILE A 14 -0.787 2.643 2.324 1.00 62.15 C ATOM 0 H ILE A 14 -3.843 0.502 3.303 1.00 72.31 H new ATOM 0 HA ILE A 14 -4.288 0.986 0.528 1.00 72.45 H new ATOM 0 HB ILE A 14 -1.805 0.100 2.077 1.00 55.23 H new ATOM 0 HG12 ILE A 14 -2.559 2.918 1.164 1.00 2.34 H new ATOM 0 HG13 ILE A 14 -2.846 2.315 2.784 1.00 2.34 H new ATOM 0 HG21 ILE A 14 -0.493 0.998 0.162 1.00 10.51 H new ATOM 0 HG22 ILE A 14 -1.534 -0.363 -0.322 1.00 10.51 H new ATOM 0 HG23 ILE A 14 -2.010 1.306 -0.717 1.00 10.51 H new ATOM 0 HD11 ILE A 14 -0.806 3.665 2.701 1.00 62.15 H new ATOM 0 HD12 ILE A 14 -0.419 1.976 3.103 1.00 62.15 H new ATOM 0 HD13 ILE A 14 -0.127 2.588 1.458 1.00 62.15 H new ATOM 251 N ALA A 15 -3.453 -2.122 1.452 1.00 73.14 N ATOM 252 CA ALA A 15 -3.416 -3.550 1.048 1.00 41.30 C ATOM 253 C ALA A 15 -4.805 -4.034 0.571 1.00 42.31 C ATOM 254 O ALA A 15 -4.939 -4.675 -0.485 1.00 30.55 O ATOM 255 CB ALA A 15 -2.920 -4.405 2.228 1.00 71.15 C ATOM 0 H ALA A 15 -3.169 -1.967 2.419 1.00 73.14 H new ATOM 0 HA ALA A 15 -2.727 -3.657 0.210 1.00 41.30 H new ATOM 0 HB1 ALA A 15 -2.893 -5.454 1.931 1.00 71.15 H new ATOM 0 HB2 ALA A 15 -1.919 -4.083 2.515 1.00 71.15 H new ATOM 0 HB3 ALA A 15 -3.596 -4.285 3.074 1.00 71.15 H new ATOM 261 N LEU A 16 -5.825 -3.649 1.349 1.00 52.12 N ATOM 262 CA LEU A 16 -7.230 -4.032 1.112 1.00 41.42 C ATOM 263 C LEU A 16 -7.803 -3.293 -0.116 1.00 12.20 C ATOM 264 O LEU A 16 -8.480 -3.915 -0.937 1.00 63.14 O ATOM 265 CB LEU A 16 -8.101 -3.759 2.375 1.00 32.45 C ATOM 266 CG LEU A 16 -7.776 -4.622 3.645 1.00 51.22 C ATOM 267 CD1 LEU A 16 -8.632 -4.183 4.858 1.00 4.54 C ATOM 268 CD2 LEU A 16 -7.935 -6.130 3.356 1.00 15.10 C ATOM 0 H LEU A 16 -5.701 -3.057 2.170 1.00 52.12 H new ATOM 0 HA LEU A 16 -7.256 -5.102 0.906 1.00 41.42 H new ATOM 0 HB2 LEU A 16 -7.997 -2.707 2.641 1.00 32.45 H new ATOM 0 HB3 LEU A 16 -9.146 -3.920 2.111 1.00 32.45 H new ATOM 0 HG LEU A 16 -6.731 -4.448 3.903 1.00 51.22 H new ATOM 0 HD11 LEU A 16 -8.383 -4.800 5.721 1.00 4.54 H new ATOM 0 HD12 LEU A 16 -8.428 -3.137 5.088 1.00 4.54 H new ATOM 0 HD13 LEU A 16 -9.689 -4.302 4.620 1.00 4.54 H new ATOM 0 HD21 LEU A 16 -7.703 -6.699 4.256 1.00 15.10 H new ATOM 0 HD22 LEU A 16 -8.961 -6.336 3.051 1.00 15.10 H new ATOM 0 HD23 LEU A 16 -7.254 -6.421 2.556 1.00 15.10 H new ATOM 280 N LEU A 17 -7.519 -1.967 -0.236 1.00 34.54 N ATOM 281 CA LEU A 17 -7.988 -1.148 -1.385 1.00 64.45 C ATOM 282 C LEU A 17 -7.386 -1.652 -2.700 1.00 3.31 C ATOM 283 O LEU A 17 -8.104 -1.781 -3.669 1.00 2.33 O ATOM 284 CB LEU A 17 -7.684 0.380 -1.217 1.00 1.11 C ATOM 285 CG LEU A 17 -8.682 1.211 -0.347 1.00 14.34 C ATOM 286 CD1 LEU A 17 -8.257 2.697 -0.296 1.00 42.52 C ATOM 287 CD2 LEU A 17 -10.131 1.064 -0.863 1.00 1.41 C ATOM 0 H LEU A 17 -6.970 -1.446 0.447 1.00 34.54 H new ATOM 0 HA LEU A 17 -9.072 -1.262 -1.411 1.00 64.45 H new ATOM 0 HB2 LEU A 17 -6.690 0.482 -0.782 1.00 1.11 H new ATOM 0 HB3 LEU A 17 -7.645 0.829 -2.210 1.00 1.11 H new ATOM 0 HG LEU A 17 -8.653 0.815 0.668 1.00 14.34 H new ATOM 0 HD11 LEU A 17 -8.965 3.257 0.315 1.00 42.52 H new ATOM 0 HD12 LEU A 17 -7.261 2.776 0.139 1.00 42.52 H new ATOM 0 HD13 LEU A 17 -8.245 3.107 -1.306 1.00 42.52 H new ATOM 0 HD21 LEU A 17 -10.801 1.653 -0.238 1.00 1.41 H new ATOM 0 HD22 LEU A 17 -10.189 1.419 -1.892 1.00 1.41 H new ATOM 0 HD23 LEU A 17 -10.427 0.016 -0.824 1.00 1.41 H new ATOM 299 N SER A 18 -6.077 -1.948 -2.706 1.00 3.25 N ATOM 300 CA SER A 18 -5.366 -2.421 -3.908 1.00 54.03 C ATOM 301 C SER A 18 -5.896 -3.793 -4.346 1.00 54.03 C ATOM 302 O SER A 18 -6.033 -4.049 -5.548 1.00 11.23 O ATOM 303 CB SER A 18 -3.855 -2.493 -3.639 1.00 24.25 C ATOM 304 OG SER A 18 -3.564 -3.390 -2.582 1.00 3.11 O ATOM 0 H SER A 18 -5.482 -1.867 -1.882 1.00 3.25 H new ATOM 0 HA SER A 18 -5.545 -1.711 -4.715 1.00 54.03 H new ATOM 0 HB2 SER A 18 -3.337 -2.812 -4.543 1.00 24.25 H new ATOM 0 HB3 SER A 18 -3.480 -1.500 -3.390 1.00 24.25 H new ATOM 0 HG SER A 18 -3.699 -2.938 -1.723 1.00 3.11 H new ATOM 310 N GLN A 19 -6.180 -4.670 -3.347 1.00 73.21 N ATOM 311 CA GLN A 19 -6.806 -5.982 -3.583 1.00 25.43 C ATOM 312 C GLN A 19 -8.180 -5.806 -4.253 1.00 53.33 C ATOM 313 O GLN A 19 -8.470 -6.447 -5.276 1.00 1.24 O ATOM 314 CB GLN A 19 -6.941 -6.769 -2.249 1.00 11.14 C ATOM 315 CG GLN A 19 -7.526 -8.192 -2.393 1.00 4.22 C ATOM 316 CD GLN A 19 -6.705 -9.085 -3.331 1.00 31.52 C ATOM 317 OE1 GLN A 19 -5.716 -9.769 -2.784 1.00 64.04 O flip ATOM 318 NE2 GLN A 19 -6.952 -9.152 -4.538 1.00 54.20 N flip ATOM 0 H GLN A 19 -5.980 -4.482 -2.365 1.00 73.21 H new ATOM 0 HA GLN A 19 -6.167 -6.557 -4.254 1.00 25.43 H new ATOM 0 HB2 GLN A 19 -5.957 -6.841 -1.785 1.00 11.14 H new ATOM 0 HB3 GLN A 19 -7.574 -6.198 -1.569 1.00 11.14 H new ATOM 0 HG2 GLN A 19 -7.578 -8.659 -1.409 1.00 4.22 H new ATOM 0 HG3 GLN A 19 -8.547 -8.123 -2.768 1.00 4.22 H new ATOM 0 HE21 GLN A 19 -7.723 -8.612 -4.932 1.00 54.20 H new ATOM 0 HE22 GLN A 19 -6.386 -9.748 -5.142 1.00 54.20 H new ATOM 327 N SER A 20 -8.990 -4.890 -3.683 1.00 32.02 N ATOM 328 CA SER A 20 -10.311 -4.552 -4.209 1.00 1.43 C ATOM 329 C SER A 20 -10.201 -4.051 -5.654 1.00 44.42 C ATOM 330 O SER A 20 -10.805 -4.624 -6.529 1.00 61.20 O ATOM 331 CB SER A 20 -11.001 -3.490 -3.328 1.00 1.10 C ATOM 332 OG SER A 20 -11.208 -3.973 -2.013 1.00 44.14 O ATOM 0 H SER A 20 -8.738 -4.368 -2.844 1.00 32.02 H new ATOM 0 HA SER A 20 -10.920 -5.456 -4.196 1.00 1.43 H new ATOM 0 HB2 SER A 20 -10.390 -2.588 -3.295 1.00 1.10 H new ATOM 0 HB3 SER A 20 -11.957 -3.211 -3.771 1.00 1.10 H new ATOM 0 HG SER A 20 -10.352 -4.004 -1.537 1.00 44.14 H new ATOM 338 N LEU A 21 -9.338 -3.047 -5.881 1.00 51.30 N ATOM 339 CA LEU A 21 -9.176 -2.372 -7.181 1.00 45.44 C ATOM 340 C LEU A 21 -8.604 -3.327 -8.245 1.00 33.23 C ATOM 341 O LEU A 21 -8.824 -3.112 -9.438 1.00 60.11 O ATOM 342 CB LEU A 21 -8.275 -1.104 -7.041 1.00 13.30 C ATOM 343 CG LEU A 21 -8.805 0.027 -6.096 1.00 31.23 C ATOM 344 CD1 LEU A 21 -7.830 1.229 -6.039 1.00 14.23 C ATOM 345 CD2 LEU A 21 -10.232 0.464 -6.485 1.00 41.50 C ATOM 0 H LEU A 21 -8.724 -2.675 -5.156 1.00 51.30 H new ATOM 0 HA LEU A 21 -10.166 -2.058 -7.512 1.00 45.44 H new ATOM 0 HB2 LEU A 21 -7.296 -1.419 -6.681 1.00 13.30 H new ATOM 0 HB3 LEU A 21 -8.128 -0.678 -8.034 1.00 13.30 H new ATOM 0 HG LEU A 21 -8.857 -0.388 -5.089 1.00 31.23 H new ATOM 0 HD11 LEU A 21 -8.232 1.993 -5.373 1.00 14.23 H new ATOM 0 HD12 LEU A 21 -6.862 0.895 -5.665 1.00 14.23 H new ATOM 0 HD13 LEU A 21 -7.708 1.646 -7.039 1.00 14.23 H new ATOM 0 HD21 LEU A 21 -10.569 1.250 -5.809 1.00 41.50 H new ATOM 0 HD22 LEU A 21 -10.231 0.841 -7.508 1.00 41.50 H new ATOM 0 HD23 LEU A 21 -10.906 -0.390 -6.414 1.00 41.50 H new ATOM 357 N LEU A 22 -7.875 -4.382 -7.804 1.00 32.21 N ATOM 358 CA LEU A 22 -7.375 -5.435 -8.707 1.00 42.21 C ATOM 359 C LEU A 22 -8.547 -6.281 -9.218 1.00 75.43 C ATOM 360 O LEU A 22 -8.728 -6.428 -10.431 1.00 31.45 O ATOM 361 CB LEU A 22 -6.326 -6.342 -8.016 1.00 41.44 C ATOM 362 CG LEU A 22 -5.741 -7.489 -8.911 1.00 51.22 C ATOM 363 CD1 LEU A 22 -5.041 -6.932 -10.172 1.00 1.55 C ATOM 364 CD2 LEU A 22 -4.798 -8.397 -8.105 1.00 73.20 C ATOM 0 H LEU A 22 -7.623 -4.521 -6.826 1.00 32.21 H new ATOM 0 HA LEU A 22 -6.881 -4.945 -9.546 1.00 42.21 H new ATOM 0 HB2 LEU A 22 -5.502 -5.718 -7.669 1.00 41.44 H new ATOM 0 HB3 LEU A 22 -6.782 -6.789 -7.132 1.00 41.44 H new ATOM 0 HG LEU A 22 -6.581 -8.096 -9.250 1.00 51.22 H new ATOM 0 HD11 LEU A 22 -4.649 -7.758 -10.766 1.00 1.55 H new ATOM 0 HD12 LEU A 22 -5.758 -6.366 -10.766 1.00 1.55 H new ATOM 0 HD13 LEU A 22 -4.221 -6.278 -9.874 1.00 1.55 H new ATOM 0 HD21 LEU A 22 -4.408 -9.183 -8.752 1.00 73.20 H new ATOM 0 HD22 LEU A 22 -3.970 -7.806 -7.713 1.00 73.20 H new ATOM 0 HD23 LEU A 22 -5.346 -8.847 -7.277 1.00 73.20 H new ATOM 376 N GLU A 23 -9.350 -6.810 -8.263 1.00 25.34 N ATOM 377 CA GLU A 23 -10.545 -7.628 -8.570 1.00 12.12 C ATOM 378 C GLU A 23 -11.513 -6.837 -9.459 1.00 74.11 C ATOM 379 O GLU A 23 -11.916 -7.302 -10.517 1.00 71.41 O ATOM 380 CB GLU A 23 -11.254 -8.050 -7.262 1.00 62.43 C ATOM 381 CG GLU A 23 -10.371 -8.861 -6.302 1.00 51.42 C ATOM 382 CD GLU A 23 -11.084 -9.189 -4.997 1.00 33.24 C ATOM 383 OE1 GLU A 23 -10.989 -8.397 -4.037 1.00 63.24 O ATOM 384 OE2 GLU A 23 -11.775 -10.230 -4.933 1.00 22.41 O ATOM 0 H GLU A 23 -9.187 -6.682 -7.264 1.00 25.34 H new ATOM 0 HA GLU A 23 -10.227 -8.524 -9.103 1.00 12.12 H new ATOM 0 HB2 GLU A 23 -11.605 -7.156 -6.747 1.00 62.43 H new ATOM 0 HB3 GLU A 23 -12.135 -8.640 -7.513 1.00 62.43 H new ATOM 0 HG2 GLU A 23 -10.065 -9.787 -6.789 1.00 51.42 H new ATOM 0 HG3 GLU A 23 -9.462 -8.299 -6.086 1.00 51.42 H new ATOM 391 N LEU A 24 -11.796 -5.602 -9.013 1.00 33.25 N ATOM 392 CA LEU A 24 -12.718 -4.661 -9.656 1.00 34.45 C ATOM 393 C LEU A 24 -12.266 -4.345 -11.090 1.00 62.12 C ATOM 394 O LEU A 24 -13.089 -4.322 -11.993 1.00 35.44 O ATOM 395 CB LEU A 24 -12.852 -3.358 -8.808 1.00 54.24 C ATOM 396 CG LEU A 24 -13.523 -3.515 -7.404 1.00 30.32 C ATOM 397 CD1 LEU A 24 -13.506 -2.185 -6.616 1.00 71.22 C ATOM 398 CD2 LEU A 24 -14.947 -4.091 -7.518 1.00 42.13 C ATOM 0 H LEU A 24 -11.373 -5.222 -8.166 1.00 33.25 H new ATOM 0 HA LEU A 24 -13.701 -5.129 -9.713 1.00 34.45 H new ATOM 0 HB2 LEU A 24 -11.857 -2.937 -8.667 1.00 54.24 H new ATOM 0 HB3 LEU A 24 -13.427 -2.632 -9.383 1.00 54.24 H new ATOM 0 HG LEU A 24 -12.930 -4.233 -6.838 1.00 30.32 H new ATOM 0 HD11 LEU A 24 -13.980 -2.331 -5.646 1.00 71.22 H new ATOM 0 HD12 LEU A 24 -12.475 -1.861 -6.471 1.00 71.22 H new ATOM 0 HD13 LEU A 24 -14.050 -1.424 -7.175 1.00 71.22 H new ATOM 0 HD21 LEU A 24 -15.382 -4.186 -6.523 1.00 42.13 H new ATOM 0 HD22 LEU A 24 -15.562 -3.423 -8.121 1.00 42.13 H new ATOM 0 HD23 LEU A 24 -14.906 -5.072 -7.991 1.00 42.13 H new ATOM 410 N ALA A 25 -10.946 -4.141 -11.288 1.00 64.11 N ATOM 411 CA ALA A 25 -10.366 -3.919 -12.631 1.00 31.24 C ATOM 412 C ALA A 25 -10.663 -5.108 -13.555 1.00 51.43 C ATOM 413 O ALA A 25 -11.149 -4.926 -14.674 1.00 40.11 O ATOM 414 CB ALA A 25 -8.855 -3.701 -12.551 1.00 33.43 C ATOM 0 H ALA A 25 -10.260 -4.125 -10.533 1.00 64.11 H new ATOM 0 HA ALA A 25 -10.828 -3.021 -13.042 1.00 31.24 H new ATOM 0 HB1 ALA A 25 -8.457 -3.541 -13.553 1.00 33.43 H new ATOM 0 HB2 ALA A 25 -8.646 -2.828 -11.933 1.00 33.43 H new ATOM 0 HB3 ALA A 25 -8.384 -4.579 -12.110 1.00 33.43 H new ATOM 420 N GLN A 26 -10.396 -6.322 -13.037 1.00 54.20 N ATOM 421 CA GLN A 26 -10.608 -7.581 -13.777 1.00 2.14 C ATOM 422 C GLN A 26 -12.105 -7.792 -14.117 1.00 14.15 C ATOM 423 O GLN A 26 -12.431 -8.385 -15.152 1.00 30.10 O ATOM 424 CB GLN A 26 -10.045 -8.785 -12.971 1.00 11.13 C ATOM 425 CG GLN A 26 -8.524 -8.702 -12.682 1.00 61.23 C ATOM 426 CD GLN A 26 -7.987 -9.872 -11.848 1.00 20.05 C ATOM 427 OE1 GLN A 26 -8.714 -10.481 -11.061 1.00 14.35 O ATOM 428 NE2 GLN A 26 -6.701 -10.162 -11.975 1.00 41.12 N ATOM 0 H GLN A 26 -10.028 -6.458 -12.095 1.00 54.20 H new ATOM 0 HA GLN A 26 -10.066 -7.513 -14.720 1.00 2.14 H new ATOM 0 HB2 GLN A 26 -10.580 -8.855 -12.024 1.00 11.13 H new ATOM 0 HB3 GLN A 26 -10.249 -9.703 -13.521 1.00 11.13 H new ATOM 0 HG2 GLN A 26 -7.985 -8.666 -13.629 1.00 61.23 H new ATOM 0 HG3 GLN A 26 -8.313 -7.769 -12.159 1.00 61.23 H new ATOM 0 HE21 GLN A 26 -6.123 -9.641 -12.635 1.00 41.12 H new ATOM 0 HE22 GLN A 26 -6.288 -10.906 -11.413 1.00 41.12 H new ATOM 437 N ARG A 27 -13.001 -7.269 -13.250 1.00 74.22 N ATOM 438 CA ARG A 27 -14.470 -7.344 -13.440 1.00 31.11 C ATOM 439 C ARG A 27 -14.954 -6.286 -14.460 1.00 42.45 C ATOM 440 O ARG A 27 -15.948 -6.502 -15.159 1.00 74.21 O ATOM 441 CB ARG A 27 -15.195 -7.124 -12.077 1.00 52.25 C ATOM 442 CG ARG A 27 -14.851 -8.163 -10.980 1.00 72.11 C ATOM 443 CD ARG A 27 -15.338 -7.745 -9.573 1.00 63.24 C ATOM 444 NE ARG A 27 -14.756 -8.577 -8.491 1.00 5.13 N ATOM 445 CZ ARG A 27 -15.087 -8.493 -7.182 1.00 3.35 C ATOM 446 NH1 ARG A 27 -16.008 -7.625 -6.762 1.00 63.42 N ATOM 447 NH2 ARG A 27 -14.481 -9.271 -6.292 1.00 14.32 N ATOM 0 H ARG A 27 -12.727 -6.782 -12.397 1.00 74.22 H new ATOM 0 HA ARG A 27 -14.711 -8.334 -13.828 1.00 31.11 H new ATOM 0 HB2 ARG A 27 -14.946 -6.130 -11.706 1.00 52.25 H new ATOM 0 HB3 ARG A 27 -16.271 -7.140 -12.248 1.00 52.25 H new ATOM 0 HG2 ARG A 27 -15.299 -9.121 -11.243 1.00 72.11 H new ATOM 0 HG3 ARG A 27 -13.771 -8.312 -10.955 1.00 72.11 H new ATOM 0 HD2 ARG A 27 -15.080 -6.700 -9.400 1.00 63.24 H new ATOM 0 HD3 ARG A 27 -16.425 -7.816 -9.534 1.00 63.24 H new ATOM 0 HE ARG A 27 -14.052 -9.266 -8.755 1.00 5.13 H new ATOM 0 HH11 ARG A 27 -16.474 -7.012 -7.431 1.00 63.42 H new ATOM 0 HH12 ARG A 27 -16.246 -7.574 -5.772 1.00 63.42 H new ATOM 0 HH21 ARG A 27 -13.766 -9.932 -6.596 1.00 14.32 H new ATOM 0 HH22 ARG A 27 -14.731 -9.207 -5.305 1.00 14.32 H new ATOM 461 N GLY A 28 -14.211 -5.161 -14.559 1.00 1.42 N ATOM 462 CA GLY A 28 -14.578 -4.027 -15.427 1.00 44.11 C ATOM 463 C GLY A 28 -15.274 -2.885 -14.682 1.00 15.01 C ATOM 464 O GLY A 28 -15.989 -2.079 -15.287 1.00 11.45 O ATOM 0 H GLY A 28 -13.344 -5.017 -14.041 1.00 1.42 H new ATOM 0 HA2 GLY A 28 -13.678 -3.642 -15.907 1.00 44.11 H new ATOM 0 HA3 GLY A 28 -15.234 -4.385 -16.220 1.00 44.11 H new ATOM 468 N GLU A 29 -15.050 -2.823 -13.364 1.00 43.25 N ATOM 469 CA GLU A 29 -15.580 -1.779 -12.461 1.00 41.41 C ATOM 470 C GLU A 29 -14.631 -0.551 -12.438 1.00 1.23 C ATOM 471 O GLU A 29 -14.217 -0.088 -11.363 1.00 5.45 O ATOM 472 CB GLU A 29 -15.717 -2.379 -11.033 1.00 74.44 C ATOM 473 CG GLU A 29 -16.480 -3.717 -10.933 1.00 35.20 C ATOM 474 CD GLU A 29 -17.986 -3.593 -11.194 1.00 60.42 C ATOM 475 OE1 GLU A 29 -18.710 -3.125 -10.291 1.00 25.33 O ATOM 476 OE2 GLU A 29 -18.454 -3.973 -12.289 1.00 4.31 O ATOM 0 H GLU A 29 -14.480 -3.514 -12.877 1.00 43.25 H new ATOM 0 HA GLU A 29 -16.555 -1.446 -12.818 1.00 41.41 H new ATOM 0 HB2 GLU A 29 -14.717 -2.522 -10.623 1.00 74.44 H new ATOM 0 HB3 GLU A 29 -16.220 -1.648 -10.400 1.00 74.44 H new ATOM 0 HG2 GLU A 29 -16.054 -4.421 -11.647 1.00 35.20 H new ATOM 0 HG3 GLU A 29 -16.327 -4.138 -9.940 1.00 35.20 H new ATOM 483 N TRP A 30 -14.336 -0.013 -13.638 1.00 71.22 N ATOM 484 CA TRP A 30 -13.320 1.050 -13.851 1.00 53.12 C ATOM 485 C TRP A 30 -13.642 2.323 -13.052 1.00 1.22 C ATOM 486 O TRP A 30 -12.737 3.007 -12.562 1.00 62.31 O ATOM 487 CB TRP A 30 -13.209 1.387 -15.367 1.00 51.33 C ATOM 488 CG TRP A 30 -13.010 0.164 -16.239 1.00 51.20 C ATOM 489 CD1 TRP A 30 -13.868 -0.338 -17.185 1.00 32.13 C ATOM 490 CD2 TRP A 30 -11.890 -0.733 -16.209 1.00 53.21 C ATOM 491 NE1 TRP A 30 -13.350 -1.480 -17.735 1.00 42.03 N ATOM 492 CE2 TRP A 30 -12.139 -1.739 -17.159 1.00 63.01 C ATOM 493 CE3 TRP A 30 -10.698 -0.774 -15.475 1.00 50.45 C ATOM 494 CZ2 TRP A 30 -11.251 -2.775 -17.390 1.00 52.21 C ATOM 495 CZ3 TRP A 30 -9.820 -1.803 -15.705 1.00 61.03 C ATOM 496 CH2 TRP A 30 -10.102 -2.791 -16.660 1.00 3.44 C ATOM 0 H TRP A 30 -14.799 -0.304 -14.499 1.00 71.22 H new ATOM 0 HA TRP A 30 -12.365 0.668 -13.490 1.00 53.12 H new ATOM 0 HB2 TRP A 30 -14.113 1.907 -15.684 1.00 51.33 H new ATOM 0 HB3 TRP A 30 -12.376 2.073 -15.520 1.00 51.33 H new ATOM 0 HD1 TRP A 30 -14.815 0.104 -17.457 1.00 32.13 H new ATOM 0 HE1 TRP A 30 -13.796 -2.045 -18.457 1.00 42.03 H new ATOM 0 HE3 TRP A 30 -10.475 -0.012 -14.743 1.00 50.45 H new ATOM 0 HZ2 TRP A 30 -11.461 -3.541 -18.121 1.00 52.21 H new ATOM 0 HZ3 TRP A 30 -8.899 -1.853 -15.143 1.00 61.03 H new ATOM 0 HH2 TRP A 30 -9.388 -3.586 -16.820 1.00 3.44 H new ATOM 507 N ASP A 31 -14.950 2.589 -12.912 1.00 13.21 N ATOM 508 CA ASP A 31 -15.491 3.770 -12.216 1.00 73.54 C ATOM 509 C ASP A 31 -15.007 3.809 -10.751 1.00 70.53 C ATOM 510 O ASP A 31 -14.632 4.863 -10.232 1.00 75.24 O ATOM 511 CB ASP A 31 -17.046 3.748 -12.242 1.00 61.12 C ATOM 512 CG ASP A 31 -17.633 3.423 -13.626 1.00 1.54 C ATOM 513 OD1 ASP A 31 -17.958 4.351 -14.397 1.00 3.13 O ATOM 514 OD2 ASP A 31 -17.748 2.224 -13.955 1.00 42.23 O ATOM 0 H ASP A 31 -15.676 1.978 -13.286 1.00 13.21 H new ATOM 0 HA ASP A 31 -15.132 4.659 -12.734 1.00 73.54 H new ATOM 0 HB2 ASP A 31 -17.403 3.011 -11.523 1.00 61.12 H new ATOM 0 HB3 ASP A 31 -17.420 4.718 -11.916 1.00 61.12 H new ATOM 519 N LEU A 32 -15.006 2.621 -10.117 1.00 31.21 N ATOM 520 CA LEU A 32 -14.635 2.449 -8.703 1.00 22.12 C ATOM 521 C LEU A 32 -13.126 2.682 -8.497 1.00 22.12 C ATOM 522 O LEU A 32 -12.718 3.174 -7.449 1.00 23.01 O ATOM 523 CB LEU A 32 -15.071 1.040 -8.205 1.00 10.54 C ATOM 524 CG LEU A 32 -16.603 0.733 -8.305 1.00 11.33 C ATOM 525 CD1 LEU A 32 -16.929 -0.688 -7.800 1.00 42.24 C ATOM 526 CD2 LEU A 32 -17.441 1.794 -7.556 1.00 63.13 C ATOM 0 H LEU A 32 -15.265 1.748 -10.577 1.00 31.21 H new ATOM 0 HA LEU A 32 -15.160 3.196 -8.108 1.00 22.12 H new ATOM 0 HB2 LEU A 32 -14.529 0.288 -8.778 1.00 10.54 H new ATOM 0 HB3 LEU A 32 -14.764 0.930 -7.165 1.00 10.54 H new ATOM 0 HG LEU A 32 -16.874 0.779 -9.360 1.00 11.33 H new ATOM 0 HD11 LEU A 32 -18.001 -0.867 -7.884 1.00 42.24 H new ATOM 0 HD12 LEU A 32 -16.391 -1.420 -8.402 1.00 42.24 H new ATOM 0 HD13 LEU A 32 -16.626 -0.782 -6.757 1.00 42.24 H new ATOM 0 HD21 LEU A 32 -18.500 1.551 -7.645 1.00 63.13 H new ATOM 0 HD22 LEU A 32 -17.159 1.804 -6.503 1.00 63.13 H new ATOM 0 HD23 LEU A 32 -17.256 2.776 -7.990 1.00 63.13 H new ATOM 538 N LEU A 33 -12.313 2.342 -9.525 1.00 61.20 N ATOM 539 CA LEU A 33 -10.857 2.618 -9.526 1.00 40.51 C ATOM 540 C LEU A 33 -10.596 4.136 -9.602 1.00 65.21 C ATOM 541 O LEU A 33 -9.750 4.655 -8.877 1.00 4.12 O ATOM 542 CB LEU A 33 -10.117 1.890 -10.696 1.00 21.33 C ATOM 543 CG LEU A 33 -9.819 0.363 -10.508 1.00 21.21 C ATOM 544 CD1 LEU A 33 -11.099 -0.490 -10.472 1.00 41.01 C ATOM 545 CD2 LEU A 33 -8.840 -0.141 -11.588 1.00 75.24 C ATOM 0 H LEU A 33 -12.644 1.874 -10.369 1.00 61.20 H new ATOM 0 HA LEU A 33 -10.457 2.227 -8.590 1.00 40.51 H new ATOM 0 HB2 LEU A 33 -10.713 2.010 -11.601 1.00 21.33 H new ATOM 0 HB3 LEU A 33 -9.170 2.401 -10.868 1.00 21.33 H new ATOM 0 HG LEU A 33 -9.345 0.249 -9.533 1.00 21.21 H new ATOM 0 HD11 LEU A 33 -10.834 -1.539 -10.340 1.00 41.01 H new ATOM 0 HD12 LEU A 33 -11.728 -0.168 -9.642 1.00 41.01 H new ATOM 0 HD13 LEU A 33 -11.644 -0.369 -11.408 1.00 41.01 H new ATOM 0 HD21 LEU A 33 -8.648 -1.203 -11.438 1.00 75.24 H new ATOM 0 HD22 LEU A 33 -9.276 0.013 -12.575 1.00 75.24 H new ATOM 0 HD23 LEU A 33 -7.903 0.411 -11.516 1.00 75.24 H new ATOM 557 N LEU A 34 -11.347 4.826 -10.486 1.00 43.13 N ATOM 558 CA LEU A 34 -11.186 6.282 -10.722 1.00 32.33 C ATOM 559 C LEU A 34 -11.598 7.111 -9.487 1.00 41.24 C ATOM 560 O LEU A 34 -10.967 8.130 -9.175 1.00 35.22 O ATOM 561 CB LEU A 34 -12.010 6.720 -11.964 1.00 1.45 C ATOM 562 CG LEU A 34 -11.693 5.966 -13.294 1.00 31.52 C ATOM 563 CD1 LEU A 34 -12.546 6.501 -14.461 1.00 61.32 C ATOM 564 CD2 LEU A 34 -10.188 6.002 -13.630 1.00 32.33 C ATOM 0 H LEU A 34 -12.077 4.396 -11.054 1.00 43.13 H new ATOM 0 HA LEU A 34 -10.129 6.471 -10.908 1.00 32.33 H new ATOM 0 HB2 LEU A 34 -13.068 6.589 -11.738 1.00 1.45 H new ATOM 0 HB3 LEU A 34 -11.848 7.786 -12.126 1.00 1.45 H new ATOM 0 HG LEU A 34 -11.962 4.920 -13.143 1.00 31.52 H new ATOM 0 HD11 LEU A 34 -12.300 5.955 -15.372 1.00 61.32 H new ATOM 0 HD12 LEU A 34 -13.603 6.366 -14.231 1.00 61.32 H new ATOM 0 HD13 LEU A 34 -12.339 7.561 -14.607 1.00 61.32 H new ATOM 0 HD21 LEU A 34 -10.010 5.466 -14.562 1.00 32.33 H new ATOM 0 HD22 LEU A 34 -9.864 7.037 -13.739 1.00 32.33 H new ATOM 0 HD23 LEU A 34 -9.624 5.528 -12.826 1.00 32.33 H new ATOM 576 N GLN A 35 -12.662 6.661 -8.793 1.00 30.41 N ATOM 577 CA GLN A 35 -13.156 7.314 -7.564 1.00 44.14 C ATOM 578 C GLN A 35 -12.171 7.084 -6.410 1.00 53.51 C ATOM 579 O GLN A 35 -11.687 8.041 -5.791 1.00 24.11 O ATOM 580 CB GLN A 35 -14.565 6.781 -7.190 1.00 4.33 C ATOM 581 CG GLN A 35 -15.665 7.169 -8.198 1.00 10.35 C ATOM 582 CD GLN A 35 -17.010 6.482 -7.947 1.00 52.44 C ATOM 583 OE1 GLN A 35 -17.068 5.360 -7.439 1.00 1.31 O ATOM 584 NE2 GLN A 35 -18.104 7.139 -8.310 1.00 50.45 N ATOM 0 H GLN A 35 -13.201 5.839 -9.066 1.00 30.41 H new ATOM 0 HA GLN A 35 -13.235 8.385 -7.748 1.00 44.14 H new ATOM 0 HB2 GLN A 35 -14.523 5.695 -7.112 1.00 4.33 H new ATOM 0 HB3 GLN A 35 -14.837 7.161 -6.205 1.00 4.33 H new ATOM 0 HG2 GLN A 35 -15.809 8.249 -8.166 1.00 10.35 H new ATOM 0 HG3 GLN A 35 -15.325 6.923 -9.204 1.00 10.35 H new ATOM 0 HE21 GLN A 35 -18.027 8.066 -8.728 1.00 50.45 H new ATOM 0 HE22 GLN A 35 -19.022 6.717 -8.171 1.00 50.45 H new ATOM 593 N GLN A 36 -11.851 5.801 -6.157 1.00 74.13 N ATOM 594 CA GLN A 36 -10.943 5.407 -5.065 1.00 43.55 C ATOM 595 C GLN A 36 -9.498 5.848 -5.320 1.00 12.33 C ATOM 596 O GLN A 36 -8.721 5.859 -4.384 1.00 20.03 O ATOM 597 CB GLN A 36 -10.999 3.877 -4.807 1.00 2.22 C ATOM 598 CG GLN A 36 -12.315 3.400 -4.163 1.00 20.01 C ATOM 599 CD GLN A 36 -12.558 3.968 -2.755 1.00 62.11 C ATOM 600 OE1 GLN A 36 -11.624 4.219 -1.989 1.00 62.03 O ATOM 601 NE2 GLN A 36 -13.817 4.176 -2.403 1.00 55.32 N ATOM 0 H GLN A 36 -12.211 5.015 -6.699 1.00 74.13 H new ATOM 0 HA GLN A 36 -11.293 5.925 -4.172 1.00 43.55 H new ATOM 0 HB2 GLN A 36 -10.858 3.354 -5.753 1.00 2.22 H new ATOM 0 HB3 GLN A 36 -10.167 3.597 -4.161 1.00 2.22 H new ATOM 0 HG2 GLN A 36 -13.147 3.683 -4.807 1.00 20.01 H new ATOM 0 HG3 GLN A 36 -12.309 2.311 -4.109 1.00 20.01 H new ATOM 0 HE21 GLN A 36 -14.571 3.960 -3.055 1.00 55.32 H new ATOM 0 HE22 GLN A 36 -14.033 4.552 -1.480 1.00 55.32 H new ATOM 610 N GLU A 37 -9.153 6.206 -6.582 1.00 12.14 N ATOM 611 CA GLU A 37 -7.810 6.712 -6.945 1.00 64.32 C ATOM 612 C GLU A 37 -7.369 7.855 -6.009 1.00 13.31 C ATOM 613 O GLU A 37 -6.255 7.842 -5.489 1.00 13.30 O ATOM 614 CB GLU A 37 -7.773 7.207 -8.421 1.00 74.51 C ATOM 615 CG GLU A 37 -6.374 7.657 -8.890 1.00 25.11 C ATOM 616 CD GLU A 37 -6.360 8.334 -10.267 1.00 25.22 C ATOM 617 OE1 GLU A 37 -6.205 7.630 -11.287 1.00 23.15 O ATOM 618 OE2 GLU A 37 -6.481 9.581 -10.328 1.00 23.53 O ATOM 0 H GLU A 37 -9.796 6.152 -7.372 1.00 12.14 H new ATOM 0 HA GLU A 37 -7.116 5.879 -6.834 1.00 64.32 H new ATOM 0 HB2 GLU A 37 -8.125 6.407 -9.072 1.00 74.51 H new ATOM 0 HB3 GLU A 37 -8.469 8.038 -8.534 1.00 74.51 H new ATOM 0 HG2 GLU A 37 -5.961 8.347 -8.154 1.00 25.11 H new ATOM 0 HG3 GLU A 37 -5.716 6.789 -8.918 1.00 25.11 H new ATOM 625 N VAL A 38 -8.284 8.808 -5.773 1.00 55.20 N ATOM 626 CA VAL A 38 -8.009 10.013 -4.975 1.00 21.35 C ATOM 627 C VAL A 38 -7.644 9.653 -3.518 1.00 3.32 C ATOM 628 O VAL A 38 -6.564 10.007 -3.041 1.00 51.31 O ATOM 629 CB VAL A 38 -9.231 11.002 -5.009 1.00 24.12 C ATOM 630 CG1 VAL A 38 -8.943 12.286 -4.197 1.00 30.12 C ATOM 631 CG2 VAL A 38 -9.626 11.334 -6.470 1.00 22.44 C ATOM 0 H VAL A 38 -9.238 8.764 -6.131 1.00 55.20 H new ATOM 0 HA VAL A 38 -7.150 10.513 -5.423 1.00 21.35 H new ATOM 0 HB VAL A 38 -10.078 10.505 -4.535 1.00 24.12 H new ATOM 0 HG11 VAL A 38 -9.809 12.947 -4.242 1.00 30.12 H new ATOM 0 HG12 VAL A 38 -8.741 12.022 -3.159 1.00 30.12 H new ATOM 0 HG13 VAL A 38 -8.076 12.795 -4.617 1.00 30.12 H new ATOM 0 HG21 VAL A 38 -10.473 12.020 -6.471 1.00 22.44 H new ATOM 0 HG22 VAL A 38 -8.782 11.800 -6.978 1.00 22.44 H new ATOM 0 HG23 VAL A 38 -9.901 10.416 -6.990 1.00 22.44 H new ATOM 641 N SER A 39 -8.540 8.905 -2.849 1.00 3.40 N ATOM 642 CA SER A 39 -8.399 8.539 -1.424 1.00 12.12 C ATOM 643 C SER A 39 -7.231 7.558 -1.201 1.00 53.15 C ATOM 644 O SER A 39 -6.490 7.684 -0.233 1.00 61.42 O ATOM 645 CB SER A 39 -9.720 7.926 -0.913 1.00 54.21 C ATOM 646 OG SER A 39 -10.157 6.869 -1.760 1.00 63.01 O ATOM 0 H SER A 39 -9.386 8.535 -3.282 1.00 3.40 H new ATOM 0 HA SER A 39 -8.176 9.445 -0.861 1.00 12.12 H new ATOM 0 HB2 SER A 39 -9.582 7.550 0.101 1.00 54.21 H new ATOM 0 HB3 SER A 39 -10.488 8.698 -0.865 1.00 54.21 H new ATOM 0 HG SER A 39 -10.598 6.179 -1.221 1.00 63.01 H new ATOM 652 N TYR A 40 -7.078 6.604 -2.129 1.00 54.42 N ATOM 653 CA TYR A 40 -6.055 5.540 -2.065 1.00 32.31 C ATOM 654 C TYR A 40 -4.637 6.130 -2.157 1.00 3.24 C ATOM 655 O TYR A 40 -3.770 5.807 -1.335 1.00 12.21 O ATOM 656 CB TYR A 40 -6.308 4.522 -3.210 1.00 4.21 C ATOM 657 CG TYR A 40 -5.266 3.414 -3.367 1.00 64.41 C ATOM 658 CD1 TYR A 40 -5.011 2.503 -2.340 1.00 42.44 C ATOM 659 CD2 TYR A 40 -4.551 3.260 -4.560 1.00 72.34 C ATOM 660 CE1 TYR A 40 -4.077 1.499 -2.492 1.00 4.02 C ATOM 661 CE2 TYR A 40 -3.620 2.258 -4.710 1.00 63.11 C ATOM 662 CZ TYR A 40 -3.388 1.378 -3.679 1.00 21.34 C ATOM 663 OH TYR A 40 -2.454 0.382 -3.832 1.00 51.24 O ATOM 0 H TYR A 40 -7.668 6.545 -2.959 1.00 54.42 H new ATOM 0 HA TYR A 40 -6.131 5.028 -1.105 1.00 32.31 H new ATOM 0 HB2 TYR A 40 -7.281 4.058 -3.048 1.00 4.21 H new ATOM 0 HB3 TYR A 40 -6.370 5.071 -4.150 1.00 4.21 H new ATOM 0 HD1 TYR A 40 -5.554 2.586 -1.410 1.00 42.44 H new ATOM 0 HD2 TYR A 40 -4.733 3.941 -5.379 1.00 72.34 H new ATOM 0 HE1 TYR A 40 -3.886 0.810 -1.683 1.00 4.02 H new ATOM 0 HE2 TYR A 40 -3.072 2.163 -5.636 1.00 63.11 H new ATOM 0 HH TYR A 40 -1.759 0.678 -4.456 1.00 51.24 H new ATOM 673 N LEU A 41 -4.427 7.001 -3.161 1.00 20.03 N ATOM 674 CA LEU A 41 -3.122 7.629 -3.405 1.00 20.50 C ATOM 675 C LEU A 41 -2.812 8.692 -2.338 1.00 5.12 C ATOM 676 O LEU A 41 -1.645 8.860 -1.943 1.00 64.44 O ATOM 677 CB LEU A 41 -3.066 8.221 -4.827 1.00 71.33 C ATOM 678 CG LEU A 41 -3.266 7.193 -5.983 1.00 14.21 C ATOM 679 CD1 LEU A 41 -3.196 7.885 -7.348 1.00 14.33 C ATOM 680 CD2 LEU A 41 -2.271 6.013 -5.892 1.00 25.42 C ATOM 0 H LEU A 41 -5.153 7.285 -3.819 1.00 20.03 H new ATOM 0 HA LEU A 41 -2.351 6.862 -3.331 1.00 20.50 H new ATOM 0 HB2 LEU A 41 -3.831 8.993 -4.912 1.00 71.33 H new ATOM 0 HB3 LEU A 41 -2.102 8.712 -4.961 1.00 71.33 H new ATOM 0 HG LEU A 41 -4.264 6.769 -5.872 1.00 14.21 H new ATOM 0 HD11 LEU A 41 -3.338 7.147 -8.138 1.00 14.33 H new ATOM 0 HD12 LEU A 41 -3.978 8.641 -7.413 1.00 14.33 H new ATOM 0 HD13 LEU A 41 -2.222 8.359 -7.466 1.00 14.33 H new ATOM 0 HD21 LEU A 41 -2.448 5.323 -6.717 1.00 25.42 H new ATOM 0 HD22 LEU A 41 -1.251 6.392 -5.949 1.00 25.42 H new ATOM 0 HD23 LEU A 41 -2.412 5.490 -4.946 1.00 25.42 H new ATOM 692 N GLN A 42 -3.872 9.385 -1.862 1.00 13.41 N ATOM 693 CA GLN A 42 -3.766 10.338 -0.744 1.00 0.22 C ATOM 694 C GLN A 42 -3.200 9.622 0.487 1.00 14.04 C ATOM 695 O GLN A 42 -2.187 10.054 1.050 1.00 25.42 O ATOM 696 CB GLN A 42 -5.144 10.969 -0.415 1.00 73.34 C ATOM 697 CG GLN A 42 -5.114 12.019 0.717 1.00 43.33 C ATOM 698 CD GLN A 42 -6.487 12.613 1.052 1.00 33.44 C ATOM 699 OE1 GLN A 42 -7.369 12.719 0.201 1.00 40.32 O ATOM 700 NE2 GLN A 42 -6.669 13.009 2.300 1.00 31.00 N ATOM 0 H GLN A 42 -4.815 9.298 -2.241 1.00 13.41 H new ATOM 0 HA GLN A 42 -3.093 11.144 -1.036 1.00 0.22 H new ATOM 0 HB2 GLN A 42 -5.540 11.437 -1.317 1.00 73.34 H new ATOM 0 HB3 GLN A 42 -5.836 10.174 -0.138 1.00 73.34 H new ATOM 0 HG2 GLN A 42 -4.700 11.559 1.614 1.00 43.33 H new ATOM 0 HG3 GLN A 42 -4.440 12.827 0.432 1.00 43.33 H new ATOM 0 HE21 GLN A 42 -5.917 12.907 2.982 1.00 31.00 H new ATOM 0 HE22 GLN A 42 -7.561 13.416 2.581 1.00 31.00 H new ATOM 709 N SER A 43 -3.840 8.483 0.832 1.00 2.15 N ATOM 710 CA SER A 43 -3.454 7.651 1.973 1.00 11.14 C ATOM 711 C SER A 43 -1.989 7.213 1.845 1.00 0.41 C ATOM 712 O SER A 43 -1.179 7.549 2.698 1.00 23.32 O ATOM 713 CB SER A 43 -4.379 6.412 2.096 1.00 44.43 C ATOM 714 OG SER A 43 -5.723 6.792 2.346 1.00 63.15 O ATOM 0 H SER A 43 -4.643 8.120 0.318 1.00 2.15 H new ATOM 0 HA SER A 43 -3.564 8.247 2.879 1.00 11.14 H new ATOM 0 HB2 SER A 43 -4.330 5.827 1.178 1.00 44.43 H new ATOM 0 HB3 SER A 43 -4.025 5.770 2.903 1.00 44.43 H new ATOM 0 HG SER A 43 -6.131 7.116 1.516 1.00 63.15 H new ATOM 720 N ILE A 44 -1.660 6.555 0.717 1.00 21.12 N ATOM 721 CA ILE A 44 -0.376 5.854 0.527 1.00 40.43 C ATOM 722 C ILE A 44 0.836 6.823 0.586 1.00 44.31 C ATOM 723 O ILE A 44 1.876 6.493 1.201 1.00 54.03 O ATOM 724 CB ILE A 44 -0.405 4.999 -0.806 1.00 22.21 C ATOM 725 CG1 ILE A 44 0.692 3.899 -0.824 1.00 44.43 C ATOM 726 CG2 ILE A 44 -0.303 5.873 -2.072 1.00 12.43 C ATOM 727 CD1 ILE A 44 0.541 2.920 -1.977 1.00 3.12 C ATOM 0 H ILE A 44 -2.280 6.495 -0.091 1.00 21.12 H new ATOM 0 HA ILE A 44 -0.242 5.164 1.360 1.00 40.43 H new ATOM 0 HB ILE A 44 -1.378 4.508 -0.817 1.00 22.21 H new ATOM 0 HG12 ILE A 44 1.672 4.373 -0.885 1.00 44.43 H new ATOM 0 HG13 ILE A 44 0.662 3.349 0.117 1.00 44.43 H new ATOM 0 HG21 ILE A 44 -0.328 5.236 -2.957 1.00 12.43 H new ATOM 0 HG22 ILE A 44 -1.141 6.569 -2.102 1.00 12.43 H new ATOM 0 HG23 ILE A 44 0.632 6.432 -2.053 1.00 12.43 H new ATOM 0 HD11 ILE A 44 1.338 2.178 -1.931 1.00 3.12 H new ATOM 0 HD12 ILE A 44 -0.425 2.420 -1.905 1.00 3.12 H new ATOM 0 HD13 ILE A 44 0.601 3.459 -2.922 1.00 3.12 H new ATOM 739 N GLU A 45 0.670 8.042 0.009 1.00 54.13 N ATOM 740 CA GLU A 45 1.703 9.095 0.094 1.00 13.14 C ATOM 741 C GLU A 45 1.807 9.633 1.531 1.00 62.24 C ATOM 742 O GLU A 45 2.907 9.913 2.005 1.00 53.24 O ATOM 743 CB GLU A 45 1.428 10.249 -0.905 1.00 30.53 C ATOM 744 CG GLU A 45 1.395 9.812 -2.385 1.00 14.12 C ATOM 745 CD GLU A 45 2.609 8.967 -2.827 1.00 54.45 C ATOM 746 OE1 GLU A 45 2.454 7.733 -3.028 1.00 53.43 O ATOM 747 OE2 GLU A 45 3.711 9.533 -3.005 1.00 23.22 O ATOM 0 H GLU A 45 -0.163 8.313 -0.514 1.00 54.13 H new ATOM 0 HA GLU A 45 2.657 8.645 -0.181 1.00 13.14 H new ATOM 0 HB2 GLU A 45 0.474 10.712 -0.654 1.00 30.53 H new ATOM 0 HB3 GLU A 45 2.196 11.013 -0.781 1.00 30.53 H new ATOM 0 HG2 GLU A 45 0.485 9.239 -2.562 1.00 14.12 H new ATOM 0 HG3 GLU A 45 1.339 10.701 -3.013 1.00 14.12 H new ATOM 754 N THR A 46 0.645 9.756 2.217 1.00 34.42 N ATOM 755 CA THR A 46 0.575 10.179 3.634 1.00 32.02 C ATOM 756 C THR A 46 1.237 9.136 4.581 1.00 11.10 C ATOM 757 O THR A 46 1.767 9.505 5.628 1.00 44.23 O ATOM 758 CB THR A 46 -0.917 10.458 4.059 1.00 25.11 C ATOM 759 OG1 THR A 46 -1.438 11.540 3.268 1.00 43.23 O ATOM 760 CG2 THR A 46 -1.085 10.813 5.553 1.00 61.42 C ATOM 0 H THR A 46 -0.268 9.565 1.803 1.00 34.42 H new ATOM 0 HA THR A 46 1.140 11.107 3.728 1.00 32.02 H new ATOM 0 HB THR A 46 -1.464 9.531 3.889 1.00 25.11 H new ATOM 0 HG1 THR A 46 -1.761 11.192 2.411 1.00 43.23 H new ATOM 0 HG21 THR A 46 -2.139 10.991 5.768 1.00 61.42 H new ATOM 0 HG22 THR A 46 -0.724 9.987 6.166 1.00 61.42 H new ATOM 0 HG23 THR A 46 -0.511 11.712 5.780 1.00 61.42 H new ATOM 768 N VAL A 47 1.239 7.839 4.192 1.00 3.23 N ATOM 769 CA VAL A 47 1.860 6.763 5.009 1.00 75.05 C ATOM 770 C VAL A 47 3.383 6.798 4.854 1.00 53.40 C ATOM 771 O VAL A 47 4.116 6.646 5.834 1.00 55.34 O ATOM 772 CB VAL A 47 1.333 5.327 4.645 1.00 0.01 C ATOM 773 CG1 VAL A 47 1.786 4.282 5.693 1.00 71.55 C ATOM 774 CG2 VAL A 47 -0.191 5.324 4.495 1.00 22.24 C ATOM 0 H VAL A 47 0.820 7.511 3.322 1.00 3.23 H new ATOM 0 HA VAL A 47 1.577 6.959 6.043 1.00 75.05 H new ATOM 0 HB VAL A 47 1.768 5.047 3.685 1.00 0.01 H new ATOM 0 HG11 VAL A 47 1.406 3.299 5.414 1.00 71.55 H new ATOM 0 HG12 VAL A 47 2.875 4.253 5.731 1.00 71.55 H new ATOM 0 HG13 VAL A 47 1.396 4.557 6.673 1.00 71.55 H new ATOM 0 HG21 VAL A 47 -0.530 4.319 4.243 1.00 22.24 H new ATOM 0 HG22 VAL A 47 -0.650 5.637 5.433 1.00 22.24 H new ATOM 0 HG23 VAL A 47 -0.480 6.014 3.702 1.00 22.24 H new ATOM 784 N MET A 48 3.852 6.995 3.605 1.00 34.41 N ATOM 785 CA MET A 48 5.295 7.183 3.326 1.00 73.53 C ATOM 786 C MET A 48 5.764 8.594 3.762 1.00 12.25 C ATOM 787 O MET A 48 6.970 8.854 3.840 1.00 34.20 O ATOM 788 CB MET A 48 5.610 6.909 1.830 1.00 10.20 C ATOM 789 CG MET A 48 5.391 5.444 1.399 1.00 51.23 C ATOM 790 SD MET A 48 5.860 5.138 -0.319 1.00 1.41 S ATOM 791 CE MET A 48 4.688 6.166 -1.208 1.00 21.04 C ATOM 0 H MET A 48 3.258 7.028 2.776 1.00 34.41 H new ATOM 0 HA MET A 48 5.855 6.457 3.916 1.00 73.53 H new ATOM 0 HB2 MET A 48 4.985 7.555 1.214 1.00 10.20 H new ATOM 0 HB3 MET A 48 6.646 7.184 1.631 1.00 10.20 H new ATOM 0 HG2 MET A 48 5.969 4.789 2.050 1.00 51.23 H new ATOM 0 HG3 MET A 48 4.341 5.184 1.536 1.00 51.23 H new ATOM 0 HE1 MET A 48 4.755 5.954 -2.275 1.00 21.04 H new ATOM 0 HE2 MET A 48 3.678 5.952 -0.858 1.00 21.04 H new ATOM 0 HE3 MET A 48 4.919 7.217 -1.031 1.00 21.04 H new ATOM 801 N GLU A 49 4.802 9.496 4.037 1.00 30.25 N ATOM 802 CA GLU A 49 5.067 10.798 4.681 1.00 2.03 C ATOM 803 C GLU A 49 5.202 10.605 6.203 1.00 23.13 C ATOM 804 O GLU A 49 6.010 11.278 6.857 1.00 3.52 O ATOM 805 CB GLU A 49 3.916 11.792 4.359 1.00 53.25 C ATOM 806 CG GLU A 49 4.098 13.224 4.902 1.00 10.31 C ATOM 807 CD GLU A 49 5.371 13.913 4.379 1.00 33.02 C ATOM 808 OE1 GLU A 49 6.287 14.195 5.178 1.00 20.55 O ATOM 809 OE2 GLU A 49 5.463 14.164 3.158 1.00 35.50 O ATOM 0 H GLU A 49 3.818 9.342 3.819 1.00 30.25 H new ATOM 0 HA GLU A 49 5.999 11.210 4.295 1.00 2.03 H new ATOM 0 HB2 GLU A 49 3.799 11.846 3.277 1.00 53.25 H new ATOM 0 HB3 GLU A 49 2.987 11.386 4.760 1.00 53.25 H new ATOM 0 HG2 GLU A 49 3.230 13.823 4.628 1.00 10.31 H new ATOM 0 HG3 GLU A 49 4.131 13.191 5.991 1.00 10.31 H new ATOM 816 N LYS A 50 4.409 9.663 6.751 1.00 45.52 N ATOM 817 CA LYS A 50 4.477 9.285 8.172 1.00 60.13 C ATOM 818 C LYS A 50 5.783 8.522 8.428 1.00 14.33 C ATOM 819 O LYS A 50 6.075 7.521 7.763 1.00 21.12 O ATOM 820 CB LYS A 50 3.228 8.441 8.622 1.00 64.20 C ATOM 821 CG LYS A 50 2.178 9.228 9.443 1.00 63.32 C ATOM 822 CD LYS A 50 1.557 10.416 8.677 1.00 24.45 C ATOM 823 CE LYS A 50 0.534 11.192 9.520 1.00 50.04 C ATOM 824 NZ LYS A 50 -0.027 12.351 8.777 1.00 44.51 N ATOM 0 H LYS A 50 3.707 9.146 6.222 1.00 45.52 H new ATOM 0 HA LYS A 50 4.464 10.195 8.772 1.00 60.13 H new ATOM 0 HB2 LYS A 50 2.744 8.032 7.735 1.00 64.20 H new ATOM 0 HB3 LYS A 50 3.573 7.594 9.215 1.00 64.20 H new ATOM 0 HG2 LYS A 50 1.383 8.547 9.747 1.00 63.32 H new ATOM 0 HG3 LYS A 50 2.646 9.599 10.355 1.00 63.32 H new ATOM 0 HD2 LYS A 50 2.350 11.094 8.360 1.00 24.45 H new ATOM 0 HD3 LYS A 50 1.072 10.047 7.773 1.00 24.45 H new ATOM 0 HE2 LYS A 50 -0.275 10.524 9.816 1.00 50.04 H new ATOM 0 HE3 LYS A 50 1.009 11.543 10.436 1.00 50.04 H new ATOM 0 HZ1 LYS A 50 -0.713 12.850 9.379 1.00 44.51 H new ATOM 0 HZ2 LYS A 50 0.742 13.001 8.516 1.00 44.51 H new ATOM 0 HZ3 LYS A 50 -0.502 12.014 7.916 1.00 44.51 H new ATOM 838 N GLN A 51 6.564 9.042 9.374 1.00 24.12 N ATOM 839 CA GLN A 51 7.838 8.452 9.801 1.00 3.14 C ATOM 840 C GLN A 51 7.603 7.055 10.409 1.00 12.13 C ATOM 841 O GLN A 51 6.522 6.795 10.962 1.00 72.31 O ATOM 842 CB GLN A 51 8.489 9.398 10.843 1.00 71.22 C ATOM 843 CG GLN A 51 9.873 8.958 11.372 1.00 64.10 C ATOM 844 CD GLN A 51 10.477 9.902 12.424 1.00 62.14 C ATOM 845 OE1 GLN A 51 11.204 9.461 13.318 1.00 54.41 O ATOM 846 NE2 GLN A 51 10.216 11.204 12.319 1.00 55.43 N ATOM 0 H GLN A 51 6.328 9.899 9.875 1.00 24.12 H new ATOM 0 HA GLN A 51 8.502 8.335 8.944 1.00 3.14 H new ATOM 0 HB2 GLN A 51 8.588 10.387 10.397 1.00 71.22 H new ATOM 0 HB3 GLN A 51 7.811 9.497 11.691 1.00 71.22 H new ATOM 0 HG2 GLN A 51 9.784 7.961 11.804 1.00 64.10 H new ATOM 0 HG3 GLN A 51 10.563 8.881 10.531 1.00 64.10 H new ATOM 0 HE21 GLN A 51 9.612 11.544 11.571 1.00 55.43 H new ATOM 0 HE22 GLN A 51 10.620 11.861 12.987 1.00 55.43 H new ATOM 855 N THR A 52 8.604 6.164 10.284 1.00 63.31 N ATOM 856 CA THR A 52 8.572 4.839 10.913 1.00 2.53 C ATOM 857 C THR A 52 8.421 4.992 12.450 1.00 41.10 C ATOM 858 O THR A 52 9.307 5.579 13.093 1.00 63.02 O ATOM 859 CB THR A 52 9.876 4.036 10.601 1.00 64.33 C ATOM 860 OG1 THR A 52 10.172 4.119 9.194 1.00 60.15 O ATOM 861 CG2 THR A 52 9.750 2.554 11.028 1.00 33.10 C ATOM 0 H THR A 52 9.452 6.345 9.746 1.00 63.31 H new ATOM 0 HA THR A 52 7.721 4.292 10.507 1.00 2.53 H new ATOM 0 HB THR A 52 10.690 4.479 11.175 1.00 64.33 H new ATOM 0 HG1 THR A 52 11.117 3.908 9.046 1.00 60.15 H new ATOM 0 HG21 THR A 52 10.676 2.028 10.795 1.00 33.10 H new ATOM 0 HG22 THR A 52 9.561 2.499 12.100 1.00 33.10 H new ATOM 0 HG23 THR A 52 8.924 2.089 10.490 1.00 33.10 H new ATOM 869 N PRO A 53 7.291 4.507 13.061 1.00 52.22 N ATOM 870 CA PRO A 53 7.042 4.668 14.520 1.00 33.31 C ATOM 871 C PRO A 53 8.081 3.899 15.388 1.00 51.51 C ATOM 872 O PRO A 53 8.700 2.941 14.904 1.00 75.24 O ATOM 873 CB PRO A 53 5.599 4.110 14.689 1.00 52.21 C ATOM 874 CG PRO A 53 5.413 3.164 13.539 1.00 70.34 C ATOM 875 CD PRO A 53 6.176 3.778 12.390 1.00 75.51 C ATOM 0 HA PRO A 53 7.141 5.700 14.857 1.00 33.31 H new ATOM 0 HB2 PRO A 53 5.483 3.598 15.644 1.00 52.21 H new ATOM 0 HB3 PRO A 53 4.860 4.911 14.665 1.00 52.21 H new ATOM 0 HG2 PRO A 53 5.796 2.172 13.780 1.00 70.34 H new ATOM 0 HG3 PRO A 53 4.358 3.047 13.293 1.00 70.34 H new ATOM 0 HD2 PRO A 53 6.549 3.017 11.704 1.00 75.51 H new ATOM 0 HD3 PRO A 53 5.549 4.453 11.807 1.00 75.51 H new ATOM 883 N PRO A 54 8.304 4.326 16.679 1.00 54.55 N ATOM 884 CA PRO A 54 9.260 3.658 17.607 1.00 33.34 C ATOM 885 C PRO A 54 8.940 2.166 17.825 1.00 13.21 C ATOM 886 O PRO A 54 9.838 1.315 17.781 1.00 21.35 O ATOM 887 CB PRO A 54 9.128 4.467 18.927 1.00 24.54 C ATOM 888 CG PRO A 54 8.591 5.799 18.495 1.00 31.32 C ATOM 889 CD PRO A 54 7.668 5.504 17.333 1.00 13.44 C ATOM 0 HA PRO A 54 10.274 3.657 17.207 1.00 33.34 H new ATOM 0 HB2 PRO A 54 8.454 3.975 19.629 1.00 24.54 H new ATOM 0 HB3 PRO A 54 10.091 4.570 19.428 1.00 24.54 H new ATOM 0 HG2 PRO A 54 8.055 6.288 19.308 1.00 31.32 H new ATOM 0 HG3 PRO A 54 9.397 6.469 18.196 1.00 31.32 H new ATOM 0 HD2 PRO A 54 6.656 5.279 17.670 1.00 13.44 H new ATOM 0 HD3 PRO A 54 7.596 6.352 16.652 1.00 13.44 H new ATOM 897 N GLY A 55 7.647 1.878 18.073 1.00 34.20 N ATOM 898 CA GLY A 55 7.186 0.529 18.397 1.00 33.02 C ATOM 899 C GLY A 55 7.073 -0.403 17.194 1.00 3.25 C ATOM 900 O GLY A 55 5.969 -0.734 16.764 1.00 31.45 O ATOM 0 H GLY A 55 6.903 2.575 18.053 1.00 34.20 H new ATOM 0 HA2 GLY A 55 7.872 0.088 19.120 1.00 33.02 H new ATOM 0 HA3 GLY A 55 6.212 0.597 18.881 1.00 33.02 H new ATOM 904 N ILE A 56 8.222 -0.817 16.639 1.00 14.23 N ATOM 905 CA ILE A 56 8.290 -1.866 15.610 1.00 33.44 C ATOM 906 C ILE A 56 8.787 -3.155 16.281 1.00 33.03 C ATOM 907 O ILE A 56 9.951 -3.228 16.686 1.00 52.44 O ATOM 908 CB ILE A 56 9.275 -1.499 14.429 1.00 51.40 C ATOM 909 CG1 ILE A 56 8.945 -0.110 13.796 1.00 41.53 C ATOM 910 CG2 ILE A 56 9.278 -2.615 13.341 1.00 5.11 C ATOM 911 CD1 ILE A 56 7.670 -0.052 12.978 1.00 41.51 C ATOM 0 H ILE A 56 9.133 -0.433 16.892 1.00 14.23 H new ATOM 0 HA ILE A 56 7.295 -1.983 15.180 1.00 33.44 H new ATOM 0 HB ILE A 56 10.275 -1.428 14.857 1.00 51.40 H new ATOM 0 HG12 ILE A 56 8.877 0.627 14.596 1.00 41.53 H new ATOM 0 HG13 ILE A 56 9.778 0.187 13.159 1.00 41.53 H new ATOM 0 HG21 ILE A 56 9.963 -2.340 12.539 1.00 5.11 H new ATOM 0 HG22 ILE A 56 9.600 -3.556 13.786 1.00 5.11 H new ATOM 0 HG23 ILE A 56 8.273 -2.731 12.936 1.00 5.11 H new ATOM 0 HD11 ILE A 56 7.536 0.956 12.585 1.00 41.51 H new ATOM 0 HD12 ILE A 56 7.736 -0.759 12.151 1.00 41.51 H new ATOM 0 HD13 ILE A 56 6.820 -0.311 13.610 1.00 41.51 H new ATOM 923 N THR A 57 7.903 -4.144 16.450 1.00 15.55 N ATOM 924 CA THR A 57 8.320 -5.501 16.831 1.00 43.11 C ATOM 925 C THR A 57 8.594 -6.301 15.548 1.00 42.40 C ATOM 926 O THR A 57 8.371 -5.787 14.434 1.00 43.33 O ATOM 927 CB THR A 57 7.245 -6.219 17.715 1.00 41.25 C ATOM 928 OG1 THR A 57 6.043 -6.426 16.968 1.00 32.03 O ATOM 929 CG2 THR A 57 6.924 -5.416 18.993 1.00 34.02 C ATOM 0 H THR A 57 6.896 -4.032 16.330 1.00 15.55 H new ATOM 0 HA THR A 57 9.224 -5.437 17.436 1.00 43.11 H new ATOM 0 HB THR A 57 7.662 -7.181 18.013 1.00 41.25 H new ATOM 0 HG1 THR A 57 5.381 -6.877 17.532 1.00 32.03 H new ATOM 0 HG21 THR A 57 6.174 -5.948 19.578 1.00 34.02 H new ATOM 0 HG22 THR A 57 7.831 -5.298 19.586 1.00 34.02 H new ATOM 0 HG23 THR A 57 6.540 -4.434 18.719 1.00 34.02 H new ATOM 937 N ARG A 58 9.063 -7.552 15.701 1.00 63.30 N ATOM 938 CA ARG A 58 9.366 -8.434 14.565 1.00 1.44 C ATOM 939 C ARG A 58 8.082 -8.693 13.749 1.00 24.52 C ATOM 940 O ARG A 58 8.061 -8.475 12.534 1.00 44.04 O ATOM 941 CB ARG A 58 9.988 -9.769 15.063 1.00 40.34 C ATOM 942 CG ARG A 58 10.479 -10.714 13.942 1.00 43.55 C ATOM 943 CD ARG A 58 11.579 -10.075 13.078 1.00 14.02 C ATOM 944 NE ARG A 58 12.019 -10.971 11.995 1.00 34.44 N ATOM 945 CZ ARG A 58 11.715 -10.831 10.696 1.00 33.22 C ATOM 946 NH1 ARG A 58 10.960 -9.822 10.268 1.00 72.23 N ATOM 947 NH2 ARG A 58 12.190 -11.700 9.822 1.00 2.45 N ATOM 0 H ARG A 58 9.241 -7.976 16.611 1.00 63.30 H new ATOM 0 HA ARG A 58 10.096 -7.946 13.919 1.00 1.44 H new ATOM 0 HB2 ARG A 58 10.828 -9.540 15.719 1.00 40.34 H new ATOM 0 HB3 ARG A 58 9.248 -10.296 15.665 1.00 40.34 H new ATOM 0 HG2 ARG A 58 10.858 -11.634 14.386 1.00 43.55 H new ATOM 0 HG3 ARG A 58 9.637 -10.990 13.308 1.00 43.55 H new ATOM 0 HD2 ARG A 58 11.209 -9.143 12.650 1.00 14.02 H new ATOM 0 HD3 ARG A 58 12.432 -9.820 13.707 1.00 14.02 H new ATOM 0 HE ARG A 58 12.604 -11.765 12.255 1.00 34.44 H new ATOM 0 HH11 ARG A 58 10.601 -9.136 10.932 1.00 72.23 H new ATOM 0 HH12 ARG A 58 10.741 -9.734 9.276 1.00 72.23 H new ATOM 0 HH21 ARG A 58 12.782 -12.469 10.137 1.00 2.45 H new ATOM 0 HH22 ARG A 58 11.965 -11.603 8.832 1.00 2.45 H new ATOM 961 N SER A 59 7.010 -9.098 14.464 1.00 51.43 N ATOM 962 CA SER A 59 5.691 -9.380 13.875 1.00 51.10 C ATOM 963 C SER A 59 5.126 -8.152 13.130 1.00 40.04 C ATOM 964 O SER A 59 4.548 -8.296 12.058 1.00 21.40 O ATOM 965 CB SER A 59 4.713 -9.828 14.981 1.00 21.14 C ATOM 966 OG SER A 59 5.220 -10.957 15.679 1.00 4.11 O ATOM 0 H SER A 59 7.040 -9.238 15.474 1.00 51.43 H new ATOM 0 HA SER A 59 5.810 -10.181 13.146 1.00 51.10 H new ATOM 0 HB2 SER A 59 4.547 -9.008 15.680 1.00 21.14 H new ATOM 0 HB3 SER A 59 3.746 -10.072 14.540 1.00 21.14 H new ATOM 0 HG SER A 59 4.585 -11.223 16.376 1.00 4.11 H new ATOM 972 N ILE A 60 5.323 -6.948 13.718 1.00 54.04 N ATOM 973 CA ILE A 60 4.880 -5.664 13.128 1.00 22.41 C ATOM 974 C ILE A 60 5.598 -5.400 11.793 1.00 0.22 C ATOM 975 O ILE A 60 4.947 -5.066 10.803 1.00 10.04 O ATOM 976 CB ILE A 60 5.091 -4.465 14.141 1.00 11.32 C ATOM 977 CG1 ILE A 60 4.089 -4.596 15.332 1.00 21.31 C ATOM 978 CG2 ILE A 60 4.971 -3.072 13.460 1.00 53.51 C ATOM 979 CD1 ILE A 60 4.297 -3.603 16.461 1.00 62.22 C ATOM 0 H ILE A 60 5.794 -6.841 14.616 1.00 54.04 H new ATOM 0 HA ILE A 60 3.811 -5.737 12.925 1.00 22.41 H new ATOM 0 HB ILE A 60 6.111 -4.531 14.518 1.00 11.32 H new ATOM 0 HG12 ILE A 60 3.075 -4.479 14.948 1.00 21.31 H new ATOM 0 HG13 ILE A 60 4.162 -5.605 15.738 1.00 21.31 H new ATOM 0 HG21 ILE A 60 5.125 -2.289 14.203 1.00 53.51 H new ATOM 0 HG22 ILE A 60 5.725 -2.983 12.678 1.00 53.51 H new ATOM 0 HG23 ILE A 60 3.979 -2.966 13.021 1.00 53.51 H new ATOM 0 HD11 ILE A 60 3.553 -3.775 17.239 1.00 62.22 H new ATOM 0 HD12 ILE A 60 5.295 -3.731 16.879 1.00 62.22 H new ATOM 0 HD13 ILE A 60 4.192 -2.588 16.077 1.00 62.22 H new ATOM 991 N GLN A 61 6.931 -5.596 11.777 1.00 0.55 N ATOM 992 CA GLN A 61 7.765 -5.439 10.567 1.00 1.33 C ATOM 993 C GLN A 61 7.265 -6.358 9.429 1.00 22.44 C ATOM 994 O GLN A 61 7.173 -5.930 8.273 1.00 12.43 O ATOM 995 CB GLN A 61 9.246 -5.755 10.908 1.00 61.13 C ATOM 996 CG GLN A 61 10.235 -5.643 9.723 1.00 10.12 C ATOM 997 CD GLN A 61 11.645 -6.136 10.064 1.00 40.41 C ATOM 998 OE1 GLN A 61 11.821 -7.023 10.904 1.00 21.23 O ATOM 999 NE2 GLN A 61 12.657 -5.591 9.400 1.00 15.32 N ATOM 0 H GLN A 61 7.462 -5.868 12.604 1.00 0.55 H new ATOM 0 HA GLN A 61 7.689 -4.408 10.222 1.00 1.33 H new ATOM 0 HB2 GLN A 61 9.572 -5.078 11.698 1.00 61.13 H new ATOM 0 HB3 GLN A 61 9.301 -6.766 11.312 1.00 61.13 H new ATOM 0 HG2 GLN A 61 9.850 -6.218 8.881 1.00 10.12 H new ATOM 0 HG3 GLN A 61 10.289 -4.603 9.400 1.00 10.12 H new ATOM 0 HE21 GLN A 61 12.480 -4.860 8.711 1.00 15.32 H new ATOM 0 HE22 GLN A 61 13.611 -5.904 9.578 1.00 15.32 H new ATOM 1008 N ASP A 62 6.923 -7.611 9.788 1.00 12.32 N ATOM 1009 CA ASP A 62 6.417 -8.614 8.825 1.00 24.42 C ATOM 1010 C ASP A 62 4.997 -8.280 8.331 1.00 12.34 C ATOM 1011 O ASP A 62 4.694 -8.485 7.157 1.00 40.40 O ATOM 1012 CB ASP A 62 6.421 -10.034 9.444 1.00 52.35 C ATOM 1013 CG ASP A 62 7.836 -10.581 9.699 1.00 61.11 C ATOM 1014 OD1 ASP A 62 8.210 -10.789 10.873 1.00 63.23 O ATOM 1015 OD2 ASP A 62 8.580 -10.810 8.712 1.00 51.34 O ATOM 0 H ASP A 62 6.988 -7.956 10.746 1.00 12.32 H new ATOM 0 HA ASP A 62 7.093 -8.588 7.971 1.00 24.42 H new ATOM 0 HB2 ASP A 62 5.871 -10.014 10.385 1.00 52.35 H new ATOM 0 HB3 ASP A 62 5.890 -10.715 8.779 1.00 52.35 H new ATOM 1020 N MET A 63 4.124 -7.780 9.233 1.00 33.25 N ATOM 1021 CA MET A 63 2.714 -7.464 8.889 1.00 32.21 C ATOM 1022 C MET A 63 2.641 -6.250 7.954 1.00 4.43 C ATOM 1023 O MET A 63 1.883 -6.258 6.974 1.00 62.22 O ATOM 1024 CB MET A 63 1.836 -7.232 10.157 1.00 3.42 C ATOM 1025 CG MET A 63 1.581 -8.493 11.001 1.00 33.33 C ATOM 1026 SD MET A 63 0.459 -8.196 12.394 1.00 1.43 S ATOM 1027 CE MET A 63 1.349 -6.976 13.369 1.00 10.54 C ATOM 0 H MET A 63 4.368 -7.586 10.204 1.00 33.25 H new ATOM 0 HA MET A 63 2.309 -8.333 8.369 1.00 32.21 H new ATOM 0 HB2 MET A 63 2.319 -6.483 10.784 1.00 3.42 H new ATOM 0 HB3 MET A 63 0.876 -6.818 9.847 1.00 3.42 H new ATOM 0 HG2 MET A 63 1.162 -9.272 10.364 1.00 33.33 H new ATOM 0 HG3 MET A 63 2.531 -8.868 11.380 1.00 33.33 H new ATOM 0 HE1 MET A 63 0.823 -6.807 14.309 1.00 10.54 H new ATOM 0 HE2 MET A 63 2.355 -7.340 13.577 1.00 10.54 H new ATOM 0 HE3 MET A 63 1.409 -6.040 12.814 1.00 10.54 H new ATOM 1037 N VAL A 64 3.461 -5.228 8.263 1.00 32.01 N ATOM 1038 CA VAL A 64 3.570 -4.009 7.458 1.00 35.11 C ATOM 1039 C VAL A 64 4.127 -4.362 6.068 1.00 3.32 C ATOM 1040 O VAL A 64 3.446 -4.127 5.078 1.00 64.42 O ATOM 1041 CB VAL A 64 4.456 -2.914 8.182 1.00 25.41 C ATOM 1042 CG1 VAL A 64 4.731 -1.699 7.266 1.00 14.24 C ATOM 1043 CG2 VAL A 64 3.788 -2.449 9.504 1.00 31.02 C ATOM 0 H VAL A 64 4.067 -5.230 9.083 1.00 32.01 H new ATOM 0 HA VAL A 64 2.577 -3.575 7.337 1.00 35.11 H new ATOM 0 HB VAL A 64 5.414 -3.379 8.416 1.00 25.41 H new ATOM 0 HG11 VAL A 64 5.342 -0.971 7.800 1.00 14.24 H new ATOM 0 HG12 VAL A 64 5.260 -2.030 6.372 1.00 14.24 H new ATOM 0 HG13 VAL A 64 3.786 -1.238 6.979 1.00 14.24 H new ATOM 0 HG21 VAL A 64 4.415 -1.697 9.983 1.00 31.02 H new ATOM 0 HG22 VAL A 64 2.810 -2.021 9.286 1.00 31.02 H new ATOM 0 HG23 VAL A 64 3.670 -3.302 10.172 1.00 31.02 H new ATOM 1053 N ALA A 65 5.325 -5.003 6.017 1.00 33.31 N ATOM 1054 CA ALA A 65 5.982 -5.384 4.740 1.00 15.45 C ATOM 1055 C ALA A 65 5.147 -6.404 3.943 1.00 20.35 C ATOM 1056 O ALA A 65 5.209 -6.423 2.721 1.00 73.32 O ATOM 1057 CB ALA A 65 7.402 -5.931 4.975 1.00 63.32 C ATOM 0 H ALA A 65 5.855 -5.267 6.848 1.00 33.31 H new ATOM 0 HA ALA A 65 6.056 -4.472 4.147 1.00 15.45 H new ATOM 0 HB1 ALA A 65 7.851 -6.199 4.019 1.00 63.32 H new ATOM 0 HB2 ALA A 65 8.010 -5.168 5.460 1.00 63.32 H new ATOM 0 HB3 ALA A 65 7.351 -6.814 5.612 1.00 63.32 H new ATOM 1063 N GLY A 66 4.369 -7.242 4.655 1.00 22.31 N ATOM 1064 CA GLY A 66 3.456 -8.202 4.021 1.00 74.24 C ATOM 1065 C GLY A 66 2.312 -7.497 3.295 1.00 44.15 C ATOM 1066 O GLY A 66 1.922 -7.890 2.181 1.00 2.14 O ATOM 0 H GLY A 66 4.358 -7.270 5.675 1.00 22.31 H new ATOM 0 HA2 GLY A 66 4.010 -8.819 3.314 1.00 74.24 H new ATOM 0 HA3 GLY A 66 3.049 -8.872 4.778 1.00 74.24 H new ATOM 1070 N TYR A 67 1.783 -6.439 3.936 1.00 44.22 N ATOM 1071 CA TYR A 67 0.735 -5.583 3.359 1.00 15.45 C ATOM 1072 C TYR A 67 1.282 -4.757 2.193 1.00 21.32 C ATOM 1073 O TYR A 67 0.588 -4.614 1.174 1.00 43.44 O ATOM 1074 CB TYR A 67 0.113 -4.661 4.442 1.00 25.14 C ATOM 1075 CG TYR A 67 -0.802 -5.367 5.460 1.00 22.21 C ATOM 1076 CD1 TYR A 67 -1.166 -6.724 5.343 1.00 21.45 C ATOM 1077 CD2 TYR A 67 -1.321 -4.662 6.538 1.00 11.14 C ATOM 1078 CE1 TYR A 67 -2.006 -7.324 6.260 1.00 61.31 C ATOM 1079 CE2 TYR A 67 -2.156 -5.260 7.450 1.00 45.21 C ATOM 1080 CZ TYR A 67 -2.498 -6.588 7.312 1.00 2.20 C ATOM 1081 OH TYR A 67 -3.332 -7.185 8.233 1.00 42.31 O ATOM 0 H TYR A 67 2.073 -6.154 4.872 1.00 44.22 H new ATOM 0 HA TYR A 67 -0.052 -6.232 2.974 1.00 15.45 H new ATOM 0 HB2 TYR A 67 0.920 -4.169 4.984 1.00 25.14 H new ATOM 0 HB3 TYR A 67 -0.460 -3.879 3.944 1.00 25.14 H new ATOM 0 HD1 TYR A 67 -0.780 -7.306 4.519 1.00 21.45 H new ATOM 0 HD2 TYR A 67 -1.062 -3.621 6.662 1.00 11.14 H new ATOM 0 HE1 TYR A 67 -2.275 -8.364 6.152 1.00 61.31 H new ATOM 0 HE2 TYR A 67 -2.546 -4.687 8.278 1.00 45.21 H new ATOM 0 HH TYR A 67 -3.590 -6.529 8.914 1.00 42.31 H new ATOM 1091 N ILE A 68 2.538 -4.244 2.342 1.00 10.41 N ATOM 1092 CA ILE A 68 3.224 -3.499 1.268 1.00 73.21 C ATOM 1093 C ILE A 68 3.363 -4.427 0.050 1.00 14.21 C ATOM 1094 O ILE A 68 3.037 -4.032 -1.054 1.00 4.45 O ATOM 1095 CB ILE A 68 4.658 -2.933 1.653 1.00 55.13 C ATOM 1096 CG1 ILE A 68 4.646 -2.142 3.000 1.00 40.31 C ATOM 1097 CG2 ILE A 68 5.207 -2.023 0.511 1.00 64.04 C ATOM 1098 CD1 ILE A 68 6.008 -1.615 3.448 1.00 11.20 C ATOM 0 H ILE A 68 3.086 -4.338 3.197 1.00 10.41 H new ATOM 0 HA ILE A 68 2.609 -2.623 1.061 1.00 73.21 H new ATOM 0 HB ILE A 68 5.313 -3.794 1.785 1.00 55.13 H new ATOM 0 HG12 ILE A 68 3.960 -1.300 2.904 1.00 40.31 H new ATOM 0 HG13 ILE A 68 4.248 -2.790 3.781 1.00 40.31 H new ATOM 0 HG21 ILE A 68 6.190 -1.643 0.789 1.00 64.04 H new ATOM 0 HG22 ILE A 68 5.289 -2.603 -0.408 1.00 64.04 H new ATOM 0 HG23 ILE A 68 4.526 -1.187 0.353 1.00 64.04 H new ATOM 0 HD11 ILE A 68 5.899 -1.080 4.392 1.00 11.20 H new ATOM 0 HD12 ILE A 68 6.695 -2.450 3.582 1.00 11.20 H new ATOM 0 HD13 ILE A 68 6.403 -0.938 2.691 1.00 11.20 H new ATOM 1110 N LYS A 69 3.776 -5.692 0.309 1.00 63.30 N ATOM 1111 CA LYS A 69 3.950 -6.728 -0.728 1.00 53.14 C ATOM 1112 C LYS A 69 2.640 -6.959 -1.487 1.00 14.35 C ATOM 1113 O LYS A 69 2.647 -7.013 -2.720 1.00 53.23 O ATOM 1114 CB LYS A 69 4.456 -8.060 -0.096 1.00 61.02 C ATOM 1115 CG LYS A 69 4.603 -9.248 -1.081 1.00 3.14 C ATOM 1116 CD LYS A 69 5.501 -8.931 -2.301 1.00 12.01 C ATOM 1117 CE LYS A 69 5.690 -10.148 -3.222 1.00 33.23 C ATOM 1118 NZ LYS A 69 6.318 -9.765 -4.513 1.00 73.24 N ATOM 0 H LYS A 69 3.998 -6.020 1.249 1.00 63.30 H new ATOM 0 HA LYS A 69 4.700 -6.377 -1.436 1.00 53.14 H new ATOM 0 HB2 LYS A 69 5.423 -7.876 0.372 1.00 61.02 H new ATOM 0 HB3 LYS A 69 3.768 -8.351 0.698 1.00 61.02 H new ATOM 0 HG2 LYS A 69 5.018 -10.103 -0.547 1.00 3.14 H new ATOM 0 HG3 LYS A 69 3.614 -9.541 -1.434 1.00 3.14 H new ATOM 0 HD2 LYS A 69 5.060 -8.113 -2.870 1.00 12.01 H new ATOM 0 HD3 LYS A 69 6.475 -8.588 -1.952 1.00 12.01 H new ATOM 0 HE2 LYS A 69 6.311 -10.891 -2.721 1.00 33.23 H new ATOM 0 HE3 LYS A 69 4.724 -10.615 -3.411 1.00 33.23 H new ATOM 0 HZ1 LYS A 69 6.837 -10.578 -4.901 1.00 73.24 H new ATOM 0 HZ2 LYS A 69 5.580 -9.472 -5.185 1.00 73.24 H new ATOM 0 HZ3 LYS A 69 6.977 -8.976 -4.358 1.00 73.24 H new ATOM 1132 N GLN A 70 1.521 -7.065 -0.736 1.00 14.53 N ATOM 1133 CA GLN A 70 0.202 -7.294 -1.336 1.00 50.41 C ATOM 1134 C GLN A 70 -0.157 -6.146 -2.299 1.00 33.22 C ATOM 1135 O GLN A 70 -0.559 -6.403 -3.434 1.00 10.31 O ATOM 1136 CB GLN A 70 -0.913 -7.462 -0.271 1.00 74.11 C ATOM 1137 CG GLN A 70 -2.255 -7.917 -0.889 1.00 3.11 C ATOM 1138 CD GLN A 70 -3.410 -8.065 0.096 1.00 30.53 C ATOM 1139 OE1 GLN A 70 -3.504 -7.356 1.088 1.00 73.31 O ATOM 1140 NE2 GLN A 70 -4.294 -9.004 -0.172 1.00 62.22 N ATOM 0 H GLN A 70 1.512 -6.995 0.282 1.00 14.53 H new ATOM 0 HA GLN A 70 0.264 -8.230 -1.891 1.00 50.41 H new ATOM 0 HB2 GLN A 70 -0.593 -8.191 0.474 1.00 74.11 H new ATOM 0 HB3 GLN A 70 -1.059 -6.516 0.251 1.00 74.11 H new ATOM 0 HG2 GLN A 70 -2.544 -7.200 -1.657 1.00 3.11 H new ATOM 0 HG3 GLN A 70 -2.100 -8.873 -1.388 1.00 3.11 H new ATOM 0 HE21 GLN A 70 -4.189 -9.580 -1.007 1.00 62.22 H new ATOM 0 HE22 GLN A 70 -5.084 -9.155 0.456 1.00 62.22 H new ATOM 1149 N THR A 71 0.057 -4.881 -1.864 1.00 3.11 N ATOM 1150 CA THR A 71 -0.278 -3.708 -2.688 1.00 61.54 C ATOM 1151 C THR A 71 0.753 -3.504 -3.815 1.00 23.12 C ATOM 1152 O THR A 71 0.413 -2.911 -4.841 1.00 61.01 O ATOM 1153 CB THR A 71 -0.502 -2.390 -1.852 1.00 71.33 C ATOM 1154 OG1 THR A 71 -0.585 -1.245 -2.710 1.00 64.42 O ATOM 1155 CG2 THR A 71 0.567 -2.131 -0.796 1.00 2.41 C ATOM 0 H THR A 71 0.457 -4.654 -0.954 1.00 3.11 H new ATOM 0 HA THR A 71 -1.242 -3.927 -3.146 1.00 61.54 H new ATOM 0 HB THR A 71 -1.445 -2.550 -1.328 1.00 71.33 H new ATOM 0 HG1 THR A 71 -1.522 -0.974 -2.804 1.00 64.42 H new ATOM 0 HG21 THR A 71 0.339 -1.206 -0.266 1.00 2.41 H new ATOM 0 HG22 THR A 71 0.587 -2.959 -0.088 1.00 2.41 H new ATOM 0 HG23 THR A 71 1.541 -2.042 -1.278 1.00 2.41 H new ATOM 1163 N LEU A 72 1.993 -4.041 -3.650 1.00 65.10 N ATOM 1164 CA LEU A 72 3.007 -4.015 -4.727 1.00 75.12 C ATOM 1165 C LEU A 72 2.498 -4.849 -5.903 1.00 35.54 C ATOM 1166 O LEU A 72 2.405 -4.350 -7.009 1.00 23.52 O ATOM 1167 CB LEU A 72 4.415 -4.544 -4.286 1.00 63.10 C ATOM 1168 CG LEU A 72 5.178 -3.722 -3.196 1.00 51.12 C ATOM 1169 CD1 LEU A 72 6.630 -4.198 -3.018 1.00 32.25 C ATOM 1170 CD2 LEU A 72 5.113 -2.217 -3.474 1.00 25.05 C ATOM 0 H LEU A 72 2.307 -4.491 -2.790 1.00 65.10 H new ATOM 0 HA LEU A 72 3.146 -2.970 -5.006 1.00 75.12 H new ATOM 0 HB2 LEU A 72 4.293 -5.562 -3.917 1.00 63.10 H new ATOM 0 HB3 LEU A 72 5.048 -4.599 -5.172 1.00 63.10 H new ATOM 0 HG LEU A 72 4.666 -3.905 -2.251 1.00 51.12 H new ATOM 0 HD11 LEU A 72 7.118 -3.597 -2.251 1.00 32.25 H new ATOM 0 HD12 LEU A 72 6.635 -5.245 -2.716 1.00 32.25 H new ATOM 0 HD13 LEU A 72 7.167 -4.089 -3.960 1.00 32.25 H new ATOM 0 HD21 LEU A 72 5.654 -1.679 -2.695 1.00 25.05 H new ATOM 0 HD22 LEU A 72 5.566 -2.006 -4.443 1.00 25.05 H new ATOM 0 HD23 LEU A 72 4.072 -1.893 -3.482 1.00 25.05 H new ATOM 1182 N ASP A 73 2.117 -6.109 -5.612 1.00 63.30 N ATOM 1183 CA ASP A 73 1.660 -7.074 -6.629 1.00 61.34 C ATOM 1184 C ASP A 73 0.354 -6.607 -7.293 1.00 73.40 C ATOM 1185 O ASP A 73 0.288 -6.519 -8.520 1.00 70.35 O ATOM 1186 CB ASP A 73 1.444 -8.478 -6.008 1.00 74.35 C ATOM 1187 CG ASP A 73 2.696 -9.080 -5.349 1.00 64.14 C ATOM 1188 OD1 ASP A 73 2.585 -9.616 -4.224 1.00 21.32 O ATOM 1189 OD2 ASP A 73 3.792 -9.039 -5.962 1.00 1.42 O ATOM 0 H ASP A 73 2.118 -6.485 -4.664 1.00 63.30 H new ATOM 0 HA ASP A 73 2.441 -7.134 -7.387 1.00 61.34 H new ATOM 0 HB2 ASP A 73 0.651 -8.414 -5.263 1.00 74.35 H new ATOM 0 HB3 ASP A 73 1.096 -9.157 -6.787 1.00 74.35 H new ATOM 1194 N ASN A 74 -0.663 -6.295 -6.451 1.00 3.22 N ATOM 1195 CA ASN A 74 -2.008 -5.869 -6.906 1.00 35.42 C ATOM 1196 C ASN A 74 -1.919 -4.651 -7.837 1.00 65.31 C ATOM 1197 O ASN A 74 -2.406 -4.690 -8.971 1.00 4.40 O ATOM 1198 CB ASN A 74 -2.940 -5.515 -5.708 1.00 32.42 C ATOM 1199 CG ASN A 74 -3.294 -6.688 -4.787 1.00 43.32 C ATOM 1200 OD1 ASN A 74 -3.358 -7.845 -5.196 1.00 12.41 O ATOM 1201 ND2 ASN A 74 -3.552 -6.379 -3.530 1.00 75.50 N ATOM 0 H ASN A 74 -0.572 -6.332 -5.436 1.00 3.22 H new ATOM 0 HA ASN A 74 -2.432 -6.715 -7.448 1.00 35.42 H new ATOM 0 HB2 ASN A 74 -2.460 -4.738 -5.112 1.00 32.42 H new ATOM 0 HB3 ASN A 74 -3.864 -5.090 -6.100 1.00 32.42 H new ATOM 0 HD21 ASN A 74 -3.813 -7.110 -2.868 1.00 75.50 H new ATOM 0 HD22 ASN A 74 -3.490 -5.409 -3.220 1.00 75.50 H new ATOM 1208 N GLU A 75 -1.248 -3.590 -7.349 1.00 24.10 N ATOM 1209 CA GLU A 75 -1.189 -2.296 -8.041 1.00 72.42 C ATOM 1210 C GLU A 75 -0.260 -2.375 -9.283 1.00 52.21 C ATOM 1211 O GLU A 75 -0.489 -1.670 -10.260 1.00 2.02 O ATOM 1212 CB GLU A 75 -0.716 -1.192 -7.059 1.00 12.21 C ATOM 1213 CG GLU A 75 -1.013 0.255 -7.503 1.00 13.54 C ATOM 1214 CD GLU A 75 -0.150 1.291 -6.766 1.00 62.43 C ATOM 1215 OE1 GLU A 75 -0.639 1.962 -5.834 1.00 31.44 O ATOM 1216 OE2 GLU A 75 1.037 1.436 -7.136 1.00 53.44 O ATOM 0 H GLU A 75 -0.735 -3.609 -6.468 1.00 24.10 H new ATOM 0 HA GLU A 75 -2.188 -2.041 -8.394 1.00 72.42 H new ATOM 0 HB2 GLU A 75 -1.189 -1.362 -6.092 1.00 12.21 H new ATOM 0 HB3 GLU A 75 0.359 -1.296 -6.911 1.00 12.21 H new ATOM 0 HG2 GLU A 75 -0.843 0.344 -8.576 1.00 13.54 H new ATOM 0 HG3 GLU A 75 -2.066 0.475 -7.328 1.00 13.54 H new ATOM 1223 N GLN A 76 0.777 -3.248 -9.233 1.00 32.11 N ATOM 1224 CA GLN A 76 1.714 -3.475 -10.367 1.00 54.41 C ATOM 1225 C GLN A 76 0.997 -4.190 -11.526 1.00 73.34 C ATOM 1226 O GLN A 76 1.228 -3.878 -12.704 1.00 54.44 O ATOM 1227 CB GLN A 76 2.941 -4.303 -9.899 1.00 42.13 C ATOM 1228 CG GLN A 76 4.012 -4.594 -10.967 1.00 74.50 C ATOM 1229 CD GLN A 76 5.241 -5.350 -10.435 1.00 75.20 C ATOM 1230 OE1 GLN A 76 6.356 -5.166 -10.929 1.00 72.42 O ATOM 1231 NE2 GLN A 76 5.056 -6.218 -9.442 1.00 15.40 N ATOM 0 H GLN A 76 0.988 -3.813 -8.411 1.00 32.11 H new ATOM 0 HA GLN A 76 2.064 -2.506 -10.723 1.00 54.41 H new ATOM 0 HB2 GLN A 76 3.416 -3.774 -9.073 1.00 42.13 H new ATOM 0 HB3 GLN A 76 2.583 -5.254 -9.505 1.00 42.13 H new ATOM 0 HG2 GLN A 76 3.560 -5.177 -11.770 1.00 74.50 H new ATOM 0 HG3 GLN A 76 4.340 -3.651 -11.403 1.00 74.50 H new ATOM 0 HE21 GLN A 76 4.124 -6.353 -9.050 1.00 15.40 H new ATOM 0 HE22 GLN A 76 5.846 -6.748 -9.074 1.00 15.40 H new ATOM 1240 N LEU A 77 0.120 -5.152 -11.163 1.00 40.43 N ATOM 1241 CA LEU A 77 -0.772 -5.828 -12.119 1.00 35.02 C ATOM 1242 C LEU A 77 -1.738 -4.799 -12.725 1.00 63.12 C ATOM 1243 O LEU A 77 -2.004 -4.843 -13.917 1.00 31.23 O ATOM 1244 CB LEU A 77 -1.566 -6.979 -11.435 1.00 41.01 C ATOM 1245 CG LEU A 77 -0.742 -8.226 -10.985 1.00 21.52 C ATOM 1246 CD1 LEU A 77 -1.625 -9.228 -10.210 1.00 33.35 C ATOM 1247 CD2 LEU A 77 -0.053 -8.902 -12.187 1.00 1.01 C ATOM 0 H LEU A 77 0.014 -5.478 -10.202 1.00 40.43 H new ATOM 0 HA LEU A 77 -0.166 -6.271 -12.909 1.00 35.02 H new ATOM 0 HB2 LEU A 77 -2.071 -6.571 -10.560 1.00 41.01 H new ATOM 0 HB3 LEU A 77 -2.342 -7.314 -12.124 1.00 41.01 H new ATOM 0 HG LEU A 77 0.039 -7.881 -10.308 1.00 21.52 H new ATOM 0 HD11 LEU A 77 -1.024 -10.086 -9.910 1.00 33.35 H new ATOM 0 HD12 LEU A 77 -2.034 -8.743 -9.324 1.00 33.35 H new ATOM 0 HD13 LEU A 77 -2.442 -9.563 -10.849 1.00 33.35 H new ATOM 0 HD21 LEU A 77 0.513 -9.767 -11.842 1.00 1.01 H new ATOM 0 HD22 LEU A 77 -0.807 -9.224 -12.905 1.00 1.01 H new ATOM 0 HD23 LEU A 77 0.623 -8.193 -12.665 1.00 1.01 H new ATOM 1259 N LEU A 78 -2.233 -3.868 -11.874 1.00 75.44 N ATOM 1260 CA LEU A 78 -3.090 -2.743 -12.304 1.00 35.34 C ATOM 1261 C LEU A 78 -2.381 -1.829 -13.311 1.00 15.43 C ATOM 1262 O LEU A 78 -3.026 -1.329 -14.231 1.00 61.03 O ATOM 1263 CB LEU A 78 -3.606 -1.913 -11.087 1.00 12.15 C ATOM 1264 CG LEU A 78 -4.662 -2.624 -10.200 1.00 61.20 C ATOM 1265 CD1 LEU A 78 -5.157 -1.716 -9.060 1.00 12.33 C ATOM 1266 CD2 LEU A 78 -5.826 -3.120 -11.062 1.00 20.22 C ATOM 0 H LEU A 78 -2.048 -3.878 -10.871 1.00 75.44 H new ATOM 0 HA LEU A 78 -3.951 -3.186 -12.805 1.00 35.34 H new ATOM 0 HB2 LEU A 78 -2.753 -1.645 -10.463 1.00 12.15 H new ATOM 0 HB3 LEU A 78 -4.035 -0.982 -11.458 1.00 12.15 H new ATOM 0 HG LEU A 78 -4.185 -3.485 -9.732 1.00 61.20 H new ATOM 0 HD11 LEU A 78 -5.895 -2.251 -8.463 1.00 12.33 H new ATOM 0 HD12 LEU A 78 -4.315 -1.433 -8.428 1.00 12.33 H new ATOM 0 HD13 LEU A 78 -5.612 -0.819 -9.481 1.00 12.33 H new ATOM 0 HD21 LEU A 78 -6.561 -3.617 -10.429 1.00 20.22 H new ATOM 0 HD22 LEU A 78 -6.293 -2.273 -11.564 1.00 20.22 H new ATOM 0 HD23 LEU A 78 -5.453 -3.823 -11.807 1.00 20.22 H new ATOM 1278 N LYS A 79 -1.058 -1.608 -13.133 1.00 21.42 N ATOM 1279 CA LYS A 79 -0.272 -0.806 -14.091 1.00 51.23 C ATOM 1280 C LYS A 79 -0.260 -1.526 -15.442 1.00 61.55 C ATOM 1281 O LYS A 79 -0.685 -0.958 -16.442 1.00 64.13 O ATOM 1282 CB LYS A 79 1.190 -0.554 -13.616 1.00 11.42 C ATOM 1283 CG LYS A 79 1.343 -0.010 -12.185 1.00 3.11 C ATOM 1284 CD LYS A 79 0.425 1.195 -11.871 1.00 34.53 C ATOM 1285 CE LYS A 79 0.622 1.690 -10.433 1.00 74.35 C ATOM 1286 NZ LYS A 79 -0.381 2.707 -10.048 1.00 14.34 N ATOM 0 H LYS A 79 -0.521 -1.970 -12.345 1.00 21.42 H new ATOM 0 HA LYS A 79 -0.747 0.172 -14.173 1.00 51.23 H new ATOM 0 HB2 LYS A 79 1.743 -1.490 -13.690 1.00 11.42 H new ATOM 0 HB3 LYS A 79 1.660 0.149 -14.304 1.00 11.42 H new ATOM 0 HG2 LYS A 79 1.129 -0.811 -11.477 1.00 3.11 H new ATOM 0 HG3 LYS A 79 2.380 0.285 -12.028 1.00 3.11 H new ATOM 0 HD2 LYS A 79 0.635 2.006 -12.568 1.00 34.53 H new ATOM 0 HD3 LYS A 79 -0.616 0.909 -12.019 1.00 34.53 H new ATOM 0 HE2 LYS A 79 0.560 0.844 -9.748 1.00 74.35 H new ATOM 0 HE3 LYS A 79 1.622 2.111 -10.330 1.00 74.35 H new ATOM 0 HZ1 LYS A 79 -0.208 3.012 -9.069 1.00 14.34 H new ATOM 0 HZ2 LYS A 79 -0.306 3.527 -10.684 1.00 14.34 H new ATOM 0 HZ3 LYS A 79 -1.335 2.299 -10.120 1.00 14.34 H new ATOM 1300 N GLY A 80 0.178 -2.811 -15.422 1.00 53.41 N ATOM 1301 CA GLY A 80 0.264 -3.658 -16.623 1.00 5.32 C ATOM 1302 C GLY A 80 -1.070 -3.864 -17.323 1.00 22.13 C ATOM 1303 O GLY A 80 -1.118 -4.098 -18.538 1.00 34.41 O ATOM 0 H GLY A 80 0.480 -3.282 -14.569 1.00 53.41 H new ATOM 0 HA2 GLY A 80 0.967 -3.208 -17.324 1.00 5.32 H new ATOM 0 HA3 GLY A 80 0.671 -4.630 -16.343 1.00 5.32 H new ATOM 1307 N LEU A 81 -2.143 -3.772 -16.534 1.00 15.21 N ATOM 1308 CA LEU A 81 -3.521 -3.929 -16.997 1.00 3.15 C ATOM 1309 C LEU A 81 -3.984 -2.637 -17.706 1.00 25.44 C ATOM 1310 O LEU A 81 -4.639 -2.705 -18.755 1.00 15.24 O ATOM 1311 CB LEU A 81 -4.402 -4.316 -15.762 1.00 22.02 C ATOM 1312 CG LEU A 81 -5.878 -4.793 -16.004 1.00 14.34 C ATOM 1313 CD1 LEU A 81 -6.398 -5.646 -14.816 1.00 23.03 C ATOM 1314 CD2 LEU A 81 -6.819 -3.604 -16.251 1.00 3.23 C ATOM 0 H LEU A 81 -2.075 -3.582 -15.534 1.00 15.21 H new ATOM 0 HA LEU A 81 -3.612 -4.725 -17.736 1.00 3.15 H new ATOM 0 HB2 LEU A 81 -3.884 -5.109 -15.223 1.00 22.02 H new ATOM 0 HB3 LEU A 81 -4.439 -3.451 -15.100 1.00 22.02 H new ATOM 0 HG LEU A 81 -5.869 -5.416 -16.899 1.00 14.34 H new ATOM 0 HD11 LEU A 81 -7.423 -5.960 -15.015 1.00 23.03 H new ATOM 0 HD12 LEU A 81 -5.765 -6.525 -14.695 1.00 23.03 H new ATOM 0 HD13 LEU A 81 -6.372 -5.052 -13.903 1.00 23.03 H new ATOM 0 HD21 LEU A 81 -7.833 -3.970 -16.415 1.00 3.23 H new ATOM 0 HD22 LEU A 81 -6.807 -2.944 -15.383 1.00 3.23 H new ATOM 0 HD23 LEU A 81 -6.486 -3.053 -17.130 1.00 3.23 H new ATOM 1326 N LEU A 82 -3.612 -1.466 -17.143 1.00 35.35 N ATOM 1327 CA LEU A 82 -4.011 -0.156 -17.700 1.00 23.32 C ATOM 1328 C LEU A 82 -3.184 0.199 -18.957 1.00 15.14 C ATOM 1329 O LEU A 82 -3.742 0.295 -20.049 1.00 43.04 O ATOM 1330 CB LEU A 82 -3.907 0.977 -16.627 1.00 0.20 C ATOM 1331 CG LEU A 82 -4.919 0.906 -15.433 1.00 32.44 C ATOM 1332 CD1 LEU A 82 -4.762 2.131 -14.506 1.00 2.42 C ATOM 1333 CD2 LEU A 82 -6.380 0.752 -15.919 1.00 61.11 C ATOM 0 H LEU A 82 -3.036 -1.402 -16.303 1.00 35.35 H new ATOM 0 HA LEU A 82 -5.056 -0.238 -18.000 1.00 23.32 H new ATOM 0 HB2 LEU A 82 -2.897 0.968 -16.218 1.00 0.20 H new ATOM 0 HB3 LEU A 82 -4.039 1.935 -17.129 1.00 0.20 H new ATOM 0 HG LEU A 82 -4.681 0.012 -14.857 1.00 32.44 H new ATOM 0 HD11 LEU A 82 -5.475 2.059 -13.685 1.00 2.42 H new ATOM 0 HD12 LEU A 82 -3.749 2.157 -14.106 1.00 2.42 H new ATOM 0 HD13 LEU A 82 -4.952 3.043 -15.073 1.00 2.42 H new ATOM 0 HD21 LEU A 82 -7.047 0.707 -15.058 1.00 61.11 H new ATOM 0 HD22 LEU A 82 -6.648 1.606 -16.542 1.00 61.11 H new ATOM 0 HD23 LEU A 82 -6.475 -0.165 -16.500 1.00 61.11 H new ATOM 1490 N LEU A 92 0.202 11.437 -7.850 1.00 13.43 N ATOM 1491 CA LEU A 92 0.797 11.687 -6.515 1.00 13.34 C ATOM 1492 C LEU A 92 1.423 13.099 -6.459 1.00 65.50 C ATOM 1493 O LEU A 92 0.793 14.067 -6.024 1.00 60.33 O ATOM 1494 CB LEU A 92 1.913 10.638 -6.196 1.00 33.44 C ATOM 1495 CG LEU A 92 1.659 9.160 -6.597 1.00 62.30 C ATOM 1496 CD1 LEU A 92 2.939 8.338 -6.407 1.00 62.43 C ATOM 1497 CD2 LEU A 92 0.483 8.539 -5.822 1.00 72.03 C ATOM 0 HA LEU A 92 -0.003 11.604 -5.779 1.00 13.34 H new ATOM 0 HB2 LEU A 92 2.829 10.965 -6.688 1.00 33.44 H new ATOM 0 HB3 LEU A 92 2.100 10.665 -5.123 1.00 33.44 H new ATOM 0 HG LEU A 92 1.380 9.145 -7.651 1.00 62.30 H new ATOM 0 HD11 LEU A 92 2.752 7.302 -6.691 1.00 62.43 H new ATOM 0 HD12 LEU A 92 3.731 8.748 -7.033 1.00 62.43 H new ATOM 0 HD13 LEU A 92 3.245 8.378 -5.362 1.00 62.43 H new ATOM 0 HD21 LEU A 92 0.345 7.505 -6.138 1.00 72.03 H new ATOM 0 HD22 LEU A 92 0.696 8.567 -4.753 1.00 72.03 H new ATOM 0 HD23 LEU A 92 -0.426 9.105 -6.025 1.00 72.03 H new ATOM 1509 N ILE A 93 2.673 13.171 -6.957 1.00 13.55 N ATOM 1510 CA ILE A 93 3.624 14.282 -6.759 1.00 52.44 C ATOM 1511 C ILE A 93 4.489 14.338 -8.031 1.00 43.31 C ATOM 1512 O ILE A 93 4.626 15.383 -8.683 1.00 54.12 O ATOM 1513 CB ILE A 93 4.588 14.027 -5.510 1.00 13.23 C ATOM 1514 CG1 ILE A 93 3.787 13.768 -4.191 1.00 5.15 C ATOM 1515 CG2 ILE A 93 5.589 15.201 -5.326 1.00 42.30 C ATOM 1516 CD1 ILE A 93 4.618 13.252 -3.022 1.00 21.34 C ATOM 0 H ILE A 93 3.064 12.425 -7.532 1.00 13.55 H new ATOM 0 HA ILE A 93 3.075 15.205 -6.570 1.00 52.44 H new ATOM 0 HB ILE A 93 5.156 13.122 -5.727 1.00 13.23 H new ATOM 0 HG12 ILE A 93 3.302 14.697 -3.890 1.00 5.15 H new ATOM 0 HG13 ILE A 93 2.996 13.048 -4.400 1.00 5.15 H new ATOM 0 HG21 ILE A 93 6.232 15.000 -4.469 1.00 42.30 H new ATOM 0 HG22 ILE A 93 6.200 15.302 -6.223 1.00 42.30 H new ATOM 0 HG23 ILE A 93 5.038 16.126 -5.157 1.00 42.30 H new ATOM 0 HD11 ILE A 93 3.974 13.104 -2.155 1.00 21.34 H new ATOM 0 HD12 ILE A 93 5.082 12.304 -3.296 1.00 21.34 H new ATOM 0 HD13 ILE A 93 5.393 13.978 -2.778 1.00 21.34 H new ATOM 1528 N GLY A 94 5.038 13.152 -8.376 1.00 12.30 N ATOM 1529 CA GLY A 94 5.917 12.976 -9.528 1.00 63.04 C ATOM 1530 C GLY A 94 5.517 11.785 -10.393 1.00 13.42 C ATOM 1531 O GLY A 94 4.516 11.109 -10.124 1.00 33.44 O ATOM 0 H GLY A 94 4.876 12.292 -7.853 1.00 12.30 H new ATOM 0 HA2 GLY A 94 5.902 13.882 -10.134 1.00 63.04 H new ATOM 0 HA3 GLY A 94 6.942 12.841 -9.182 1.00 63.04 H new ATOM 1535 N GLN A 95 6.344 11.528 -11.411 1.00 2.34 N ATOM 1536 CA GLN A 95 6.082 10.564 -12.494 1.00 0.31 C ATOM 1537 C GLN A 95 6.237 9.110 -12.012 1.00 55.33 C ATOM 1538 O GLN A 95 5.246 8.386 -11.848 1.00 72.51 O ATOM 1539 CB GLN A 95 7.073 10.876 -13.648 1.00 64.11 C ATOM 1540 CG GLN A 95 6.975 9.983 -14.895 1.00 33.05 C ATOM 1541 CD GLN A 95 7.950 10.419 -15.995 1.00 50.33 C ATOM 1542 OE1 GLN A 95 9.083 9.941 -16.074 1.00 44.41 O ATOM 1543 NE2 GLN A 95 7.533 11.362 -16.827 1.00 14.24 N ATOM 0 H GLN A 95 7.244 11.998 -11.511 1.00 2.34 H new ATOM 0 HA GLN A 95 5.052 10.664 -12.837 1.00 0.31 H new ATOM 0 HB2 GLN A 95 6.923 11.911 -13.956 1.00 64.11 H new ATOM 0 HB3 GLN A 95 8.087 10.804 -13.256 1.00 64.11 H new ATOM 0 HG2 GLN A 95 7.181 8.949 -14.617 1.00 33.05 H new ATOM 0 HG3 GLN A 95 5.956 10.012 -15.282 1.00 33.05 H new ATOM 0 HE21 GLN A 95 6.590 11.740 -16.738 1.00 14.24 H new ATOM 0 HE22 GLN A 95 8.155 11.710 -17.556 1.00 14.24 H new ATOM 1552 N SER A 96 7.496 8.708 -11.761 1.00 42.34 N ATOM 1553 CA SER A 96 7.851 7.323 -11.420 1.00 45.45 C ATOM 1554 C SER A 96 7.918 7.113 -9.896 1.00 41.02 C ATOM 1555 O SER A 96 8.353 6.044 -9.441 1.00 70.43 O ATOM 1556 CB SER A 96 9.184 6.955 -12.114 1.00 31.40 C ATOM 1557 OG SER A 96 10.199 7.907 -11.830 1.00 43.43 O ATOM 0 H SER A 96 8.297 9.339 -11.790 1.00 42.34 H new ATOM 0 HA SER A 96 7.070 6.655 -11.784 1.00 45.45 H new ATOM 0 HB2 SER A 96 9.507 5.968 -11.784 1.00 31.40 H new ATOM 0 HB3 SER A 96 9.030 6.896 -13.191 1.00 31.40 H new ATOM 0 HG SER A 96 11.029 7.645 -12.281 1.00 43.43 H new ATOM 1563 N THR A 97 7.433 8.123 -9.124 1.00 31.21 N ATOM 1564 CA THR A 97 7.367 8.092 -7.648 1.00 1.33 C ATOM 1565 C THR A 97 6.652 6.829 -7.129 1.00 10.22 C ATOM 1566 O THR A 97 7.096 6.221 -6.162 1.00 51.30 O ATOM 1567 CB THR A 97 6.624 9.368 -7.093 1.00 12.30 C ATOM 1568 OG1 THR A 97 7.312 10.558 -7.514 1.00 21.34 O ATOM 1569 CG2 THR A 97 6.485 9.361 -5.542 1.00 33.10 C ATOM 0 H THR A 97 7.073 8.991 -9.521 1.00 31.21 H new ATOM 0 HA THR A 97 8.396 8.080 -7.289 1.00 1.33 H new ATOM 0 HB THR A 97 5.615 9.351 -7.505 1.00 12.30 H new ATOM 0 HG1 THR A 97 6.844 11.346 -7.167 1.00 21.34 H new ATOM 0 HG21 THR A 97 5.966 10.263 -5.219 1.00 33.10 H new ATOM 0 HG22 THR A 97 5.916 8.485 -5.232 1.00 33.10 H new ATOM 0 HG23 THR A 97 7.475 9.330 -5.088 1.00 33.10 H new ATOM 1577 N ARG A 98 5.579 6.430 -7.827 1.00 3.41 N ATOM 1578 CA ARG A 98 4.636 5.412 -7.344 1.00 14.12 C ATOM 1579 C ARG A 98 5.337 4.084 -7.021 1.00 22.40 C ATOM 1580 O ARG A 98 5.471 3.702 -5.852 1.00 22.11 O ATOM 1581 CB ARG A 98 3.540 5.205 -8.434 1.00 35.10 C ATOM 1582 CG ARG A 98 2.351 4.295 -8.044 1.00 22.31 C ATOM 1583 CD ARG A 98 1.351 4.943 -7.058 1.00 44.11 C ATOM 1584 NE ARG A 98 1.942 5.284 -5.749 1.00 62.42 N ATOM 1585 CZ ARG A 98 2.183 4.424 -4.760 1.00 13.31 C ATOM 1586 NH1 ARG A 98 1.883 3.141 -4.886 1.00 70.04 N ATOM 1587 NH2 ARG A 98 2.720 4.864 -3.632 1.00 50.41 N ATOM 0 H ARG A 98 5.340 6.805 -8.745 1.00 3.41 H new ATOM 0 HA ARG A 98 4.186 5.759 -6.414 1.00 14.12 H new ATOM 0 HB2 ARG A 98 3.146 6.182 -8.713 1.00 35.10 H new ATOM 0 HB3 ARG A 98 4.015 4.787 -9.322 1.00 35.10 H new ATOM 0 HG2 ARG A 98 1.816 4.008 -8.949 1.00 22.31 H new ATOM 0 HG3 ARG A 98 2.740 3.379 -7.599 1.00 22.31 H new ATOM 0 HD2 ARG A 98 0.944 5.848 -7.510 1.00 44.11 H new ATOM 0 HD3 ARG A 98 0.515 4.261 -6.902 1.00 44.11 H new ATOM 0 HE ARG A 98 2.187 6.261 -5.588 1.00 62.42 H new ATOM 0 HH11 ARG A 98 1.461 2.798 -5.749 1.00 70.04 H new ATOM 0 HH12 ARG A 98 2.074 2.495 -4.120 1.00 70.04 H new ATOM 0 HH21 ARG A 98 2.945 5.853 -3.526 1.00 50.41 H new ATOM 0 HH22 ARG A 98 2.908 4.214 -2.869 1.00 50.41 H new ATOM 1601 N GLN A 99 5.938 3.497 -8.055 1.00 2.11 N ATOM 1602 CA GLN A 99 6.463 2.130 -8.000 1.00 12.31 C ATOM 1603 C GLN A 99 7.867 2.124 -7.381 1.00 32.13 C ATOM 1604 O GLN A 99 8.170 1.285 -6.526 1.00 42.21 O ATOM 1605 CB GLN A 99 6.481 1.544 -9.429 1.00 71.52 C ATOM 1606 CG GLN A 99 6.796 0.040 -9.514 1.00 61.25 C ATOM 1607 CD GLN A 99 6.867 -0.499 -10.948 1.00 34.14 C ATOM 1608 OE1 GLN A 99 6.123 0.097 -11.876 1.00 34.40 O flip ATOM 1609 NE2 GLN A 99 7.588 -1.460 -11.219 1.00 12.40 N flip ATOM 0 H GLN A 99 6.076 3.955 -8.956 1.00 2.11 H new ATOM 0 HA GLN A 99 5.823 1.511 -7.371 1.00 12.31 H new ATOM 0 HB2 GLN A 99 5.510 1.723 -9.890 1.00 71.52 H new ATOM 0 HB3 GLN A 99 7.219 2.088 -10.019 1.00 71.52 H new ATOM 0 HG2 GLN A 99 7.747 -0.151 -9.017 1.00 61.25 H new ATOM 0 HG3 GLN A 99 6.033 -0.513 -8.966 1.00 61.25 H new ATOM 0 HE21 GLN A 99 8.149 -1.899 -10.489 1.00 12.40 H new ATOM 0 HE22 GLN A 99 7.625 -1.817 -12.174 1.00 12.40 H new ATOM 1618 N LYS A 100 8.692 3.114 -7.800 1.00 13.02 N ATOM 1619 CA LYS A 100 10.097 3.251 -7.370 1.00 35.34 C ATOM 1620 C LYS A 100 10.149 3.490 -5.851 1.00 73.43 C ATOM 1621 O LYS A 100 10.768 2.712 -5.131 1.00 42.33 O ATOM 1622 CB LYS A 100 10.787 4.411 -8.172 1.00 71.12 C ATOM 1623 CG LYS A 100 12.349 4.443 -8.164 1.00 33.14 C ATOM 1624 CD LYS A 100 12.975 5.027 -6.872 1.00 42.11 C ATOM 1625 CE LYS A 100 14.513 5.114 -6.945 1.00 45.15 C ATOM 1626 NZ LYS A 100 15.143 3.779 -7.139 1.00 70.12 N ATOM 0 H LYS A 100 8.395 3.842 -8.450 1.00 13.02 H new ATOM 0 HA LYS A 100 10.645 2.333 -7.582 1.00 35.34 H new ATOM 0 HB2 LYS A 100 10.454 4.352 -9.208 1.00 71.12 H new ATOM 0 HB3 LYS A 100 10.426 5.360 -7.775 1.00 71.12 H new ATOM 0 HG2 LYS A 100 12.721 3.428 -8.306 1.00 33.14 H new ATOM 0 HG3 LYS A 100 12.692 5.030 -9.016 1.00 33.14 H new ATOM 0 HD2 LYS A 100 12.567 6.022 -6.692 1.00 42.11 H new ATOM 0 HD3 LYS A 100 12.690 4.407 -6.022 1.00 42.11 H new ATOM 0 HE2 LYS A 100 14.799 5.772 -7.766 1.00 45.15 H new ATOM 0 HE3 LYS A 100 14.894 5.564 -6.028 1.00 45.15 H new ATOM 0 HZ1 LYS A 100 16.178 3.874 -7.097 1.00 70.12 H new ATOM 0 HZ2 LYS A 100 14.824 3.133 -6.389 1.00 70.12 H new ATOM 0 HZ3 LYS A 100 14.867 3.397 -8.066 1.00 70.12 H new ATOM 1640 N SER A 101 9.438 4.540 -5.379 1.00 54.24 N ATOM 1641 CA SER A 101 9.475 4.964 -3.964 1.00 1.34 C ATOM 1642 C SER A 101 8.716 3.985 -3.051 1.00 74.34 C ATOM 1643 O SER A 101 9.148 3.783 -1.910 1.00 22.20 O ATOM 1644 CB SER A 101 8.923 6.403 -3.790 1.00 23.24 C ATOM 1645 OG SER A 101 8.962 6.830 -2.433 1.00 13.43 O ATOM 0 H SER A 101 8.828 5.111 -5.964 1.00 54.24 H new ATOM 0 HA SER A 101 10.522 4.958 -3.662 1.00 1.34 H new ATOM 0 HB2 SER A 101 9.505 7.091 -4.403 1.00 23.24 H new ATOM 0 HB3 SER A 101 7.896 6.443 -4.153 1.00 23.24 H new ATOM 0 HG SER A 101 8.607 7.741 -2.366 1.00 13.43 H new ATOM 1651 N LEU A 102 7.587 3.376 -3.527 1.00 74.32 N ATOM 1652 CA LEU A 102 6.830 2.422 -2.681 1.00 63.34 C ATOM 1653 C LEU A 102 7.641 1.130 -2.432 1.00 33.44 C ATOM 1654 O LEU A 102 7.750 0.656 -1.291 1.00 25.44 O ATOM 1655 CB LEU A 102 5.459 2.057 -3.303 1.00 64.43 C ATOM 1656 CG LEU A 102 4.476 1.326 -2.336 1.00 75.34 C ATOM 1657 CD1 LEU A 102 4.079 2.253 -1.174 1.00 33.14 C ATOM 1658 CD2 LEU A 102 3.242 0.772 -3.077 1.00 23.34 C ATOM 0 H LEU A 102 7.199 3.526 -4.458 1.00 74.32 H new ATOM 0 HA LEU A 102 6.654 2.924 -1.730 1.00 63.34 H new ATOM 0 HB2 LEU A 102 4.983 2.970 -3.660 1.00 64.43 H new ATOM 0 HB3 LEU A 102 5.628 1.424 -4.174 1.00 64.43 H new ATOM 0 HG LEU A 102 4.995 0.463 -1.918 1.00 75.34 H new ATOM 0 HD11 LEU A 102 3.393 1.729 -0.508 1.00 33.14 H new ATOM 0 HD12 LEU A 102 4.971 2.544 -0.620 1.00 33.14 H new ATOM 0 HD13 LEU A 102 3.591 3.144 -1.570 1.00 33.14 H new ATOM 0 HD21 LEU A 102 2.585 0.271 -2.366 1.00 23.34 H new ATOM 0 HD22 LEU A 102 2.704 1.592 -3.552 1.00 23.34 H new ATOM 0 HD23 LEU A 102 3.563 0.060 -3.837 1.00 23.34 H new ATOM 1670 N ASN A 103 8.209 0.575 -3.521 1.00 73.42 N ATOM 1671 CA ASN A 103 8.995 -0.675 -3.466 1.00 11.03 C ATOM 1672 C ASN A 103 10.383 -0.424 -2.826 1.00 35.04 C ATOM 1673 O ASN A 103 10.991 -1.344 -2.262 1.00 35.41 O ATOM 1674 CB ASN A 103 9.101 -1.300 -4.886 1.00 65.44 C ATOM 1675 CG ASN A 103 9.749 -2.693 -4.927 1.00 61.12 C ATOM 1676 OD1 ASN A 103 9.722 -3.449 -3.955 1.00 44.12 O ATOM 1677 ND2 ASN A 103 10.297 -3.060 -6.073 1.00 74.12 N ATOM 0 H ASN A 103 8.137 0.976 -4.456 1.00 73.42 H new ATOM 0 HA ASN A 103 8.482 -1.395 -2.828 1.00 11.03 H new ATOM 0 HB2 ASN A 103 8.101 -1.367 -5.315 1.00 65.44 H new ATOM 0 HB3 ASN A 103 9.676 -0.628 -5.522 1.00 65.44 H new ATOM 0 HD21 ASN A 103 10.710 -3.988 -6.167 1.00 74.12 H new ATOM 0 HD22 ASN A 103 10.307 -2.415 -6.863 1.00 74.12 H new ATOM 1684 N ASN A 104 10.867 0.837 -2.895 1.00 14.12 N ATOM 1685 CA ASN A 104 12.077 1.266 -2.160 1.00 21.43 C ATOM 1686 C ASN A 104 11.783 1.346 -0.653 1.00 15.53 C ATOM 1687 O ASN A 104 12.622 0.961 0.147 1.00 35.20 O ATOM 1688 CB ASN A 104 12.625 2.621 -2.686 1.00 3.42 C ATOM 1689 CG ASN A 104 13.769 3.199 -1.835 1.00 75.21 C ATOM 1690 OD1 ASN A 104 14.941 2.864 -2.015 1.00 22.54 O ATOM 1691 ND2 ASN A 104 13.432 4.081 -0.905 1.00 34.42 N ATOM 0 H ASN A 104 10.437 1.575 -3.453 1.00 14.12 H new ATOM 0 HA ASN A 104 12.851 0.518 -2.331 1.00 21.43 H new ATOM 0 HB2 ASN A 104 12.977 2.488 -3.709 1.00 3.42 H new ATOM 0 HB3 ASN A 104 11.810 3.343 -2.721 1.00 3.42 H new ATOM 0 HD21 ASN A 104 14.151 4.501 -0.316 1.00 34.42 H new ATOM 0 HD22 ASN A 104 12.454 4.340 -0.778 1.00 34.42 H new ATOM 1698 N ALA A 105 10.574 1.835 -0.285 1.00 25.24 N ATOM 1699 CA ALA A 105 10.138 1.934 1.129 1.00 51.34 C ATOM 1700 C ALA A 105 10.051 0.534 1.760 1.00 54.52 C ATOM 1701 O ALA A 105 10.406 0.340 2.936 1.00 10.20 O ATOM 1702 CB ALA A 105 8.790 2.665 1.233 1.00 34.35 C ATOM 0 H ALA A 105 9.879 2.169 -0.953 1.00 25.24 H new ATOM 0 HA ALA A 105 10.878 2.514 1.680 1.00 51.34 H new ATOM 0 HB1 ALA A 105 8.489 2.726 2.279 1.00 34.35 H new ATOM 0 HB2 ALA A 105 8.889 3.671 0.824 1.00 34.35 H new ATOM 0 HB3 ALA A 105 8.035 2.117 0.670 1.00 34.35 H new ATOM 1708 N TYR A 106 9.581 -0.436 0.937 1.00 52.10 N ATOM 1709 CA TYR A 106 9.640 -1.871 1.257 1.00 64.35 C ATOM 1710 C TYR A 106 11.106 -2.270 1.497 1.00 20.44 C ATOM 1711 O TYR A 106 11.430 -2.877 2.517 1.00 51.24 O ATOM 1712 CB TYR A 106 9.041 -2.724 0.092 1.00 24.55 C ATOM 1713 CG TYR A 106 8.834 -4.231 0.406 1.00 4.22 C ATOM 1714 CD1 TYR A 106 9.901 -5.103 0.699 1.00 30.44 C ATOM 1715 CD2 TYR A 106 7.564 -4.792 0.391 1.00 23.21 C ATOM 1716 CE1 TYR A 106 9.693 -6.439 0.973 1.00 14.31 C ATOM 1717 CE2 TYR A 106 7.362 -6.121 0.661 1.00 54.20 C ATOM 1718 CZ TYR A 106 8.418 -6.942 0.952 1.00 3.45 C ATOM 1719 OH TYR A 106 8.193 -8.272 1.234 1.00 44.01 O ATOM 0 H TYR A 106 9.151 -0.238 0.033 1.00 52.10 H new ATOM 0 HA TYR A 106 9.051 -2.060 2.154 1.00 64.35 H new ATOM 0 HB2 TYR A 106 8.080 -2.295 -0.193 1.00 24.55 H new ATOM 0 HB3 TYR A 106 9.698 -2.638 -0.773 1.00 24.55 H new ATOM 0 HD1 TYR A 106 10.909 -4.715 0.709 1.00 30.44 H new ATOM 0 HD2 TYR A 106 6.714 -4.166 0.161 1.00 23.21 H new ATOM 0 HE1 TYR A 106 10.528 -7.084 1.202 1.00 14.31 H new ATOM 0 HE2 TYR A 106 6.360 -6.524 0.644 1.00 54.20 H new ATOM 0 HH TYR A 106 7.239 -8.412 1.412 1.00 44.01 H new ATOM 1729 N GLY A 107 11.970 -1.918 0.519 1.00 62.34 N ATOM 1730 CA GLY A 107 13.389 -2.283 0.535 1.00 34.52 C ATOM 1731 C GLY A 107 14.146 -1.736 1.733 1.00 30.53 C ATOM 1732 O GLY A 107 15.086 -2.375 2.229 1.00 23.34 O ATOM 0 H GLY A 107 11.696 -1.374 -0.299 1.00 62.34 H new ATOM 0 HA2 GLY A 107 13.476 -3.370 0.527 1.00 34.52 H new ATOM 0 HA3 GLY A 107 13.859 -1.919 -0.378 1.00 34.52 H new ATOM 1736 N ARG A 108 13.720 -0.554 2.210 1.00 62.23 N ATOM 1737 CA ARG A 108 14.314 0.083 3.385 1.00 44.23 C ATOM 1738 C ARG A 108 13.808 -0.619 4.651 1.00 73.31 C ATOM 1739 O ARG A 108 14.550 -0.748 5.614 1.00 43.30 O ATOM 1740 CB ARG A 108 14.003 1.605 3.443 1.00 34.30 C ATOM 1741 CG ARG A 108 14.466 2.460 2.233 1.00 3.44 C ATOM 1742 CD ARG A 108 15.950 2.284 1.843 1.00 63.10 C ATOM 1743 NE ARG A 108 16.187 1.051 1.059 1.00 71.12 N ATOM 1744 CZ ARG A 108 17.243 0.229 1.182 1.00 51.03 C ATOM 1745 NH1 ARG A 108 18.212 0.477 2.057 1.00 12.10 N ATOM 1746 NH2 ARG A 108 17.321 -0.850 0.421 1.00 65.43 N ATOM 0 H ARG A 108 12.958 -0.020 1.791 1.00 62.23 H new ATOM 0 HA ARG A 108 15.397 -0.016 3.316 1.00 44.23 H new ATOM 0 HB2 ARG A 108 12.926 1.728 3.553 1.00 34.30 H new ATOM 0 HB3 ARG A 108 14.464 2.012 4.343 1.00 34.30 H new ATOM 0 HG2 ARG A 108 13.847 2.210 1.372 1.00 3.44 H new ATOM 0 HG3 ARG A 108 14.287 3.511 2.460 1.00 3.44 H new ATOM 0 HD2 ARG A 108 16.275 3.148 1.263 1.00 63.10 H new ATOM 0 HD3 ARG A 108 16.559 2.259 2.746 1.00 63.10 H new ATOM 0 HE ARG A 108 15.485 0.803 0.362 1.00 71.12 H new ATOM 0 HH11 ARG A 108 18.163 1.304 2.651 1.00 12.10 H new ATOM 0 HH12 ARG A 108 19.005 -0.160 2.134 1.00 12.10 H new ATOM 0 HH21 ARG A 108 16.583 -1.053 -0.253 1.00 65.43 H new ATOM 0 HH22 ARG A 108 18.119 -1.479 0.508 1.00 65.43 H new ATOM 1760 N LEU A 109 12.524 -1.050 4.649 1.00 44.42 N ATOM 1761 CA LEU A 109 11.918 -1.799 5.784 1.00 31.30 C ATOM 1762 C LEU A 109 12.532 -3.208 5.912 1.00 13.43 C ATOM 1763 O LEU A 109 12.651 -3.754 7.018 1.00 42.53 O ATOM 1764 CB LEU A 109 10.374 -1.877 5.629 1.00 2.32 C ATOM 1765 CG LEU A 109 9.589 -2.522 6.821 1.00 11.23 C ATOM 1766 CD1 LEU A 109 9.812 -1.753 8.144 1.00 12.43 C ATOM 1767 CD2 LEU A 109 8.095 -2.624 6.488 1.00 2.00 C ATOM 0 H LEU A 109 11.883 -0.892 3.872 1.00 44.42 H new ATOM 0 HA LEU A 109 12.140 -1.256 6.703 1.00 31.30 H new ATOM 0 HB2 LEU A 109 9.994 -0.867 5.476 1.00 2.32 H new ATOM 0 HB3 LEU A 109 10.149 -2.443 4.725 1.00 2.32 H new ATOM 0 HG LEU A 109 9.981 -3.528 6.967 1.00 11.23 H new ATOM 0 HD11 LEU A 109 9.249 -2.234 8.944 1.00 12.43 H new ATOM 0 HD12 LEU A 109 10.873 -1.758 8.393 1.00 12.43 H new ATOM 0 HD13 LEU A 109 9.471 -0.724 8.029 1.00 12.43 H new ATOM 0 HD21 LEU A 109 7.565 -3.074 7.327 1.00 2.00 H new ATOM 0 HD22 LEU A 109 7.695 -1.628 6.299 1.00 2.00 H new ATOM 0 HD23 LEU A 109 7.961 -3.243 5.601 1.00 2.00 H new ATOM 1779 N SER A 110 12.938 -3.754 4.762 1.00 20.14 N ATOM 1780 CA SER A 110 13.582 -5.059 4.658 1.00 21.31 C ATOM 1781 C SER A 110 15.060 -4.942 5.086 1.00 71.10 C ATOM 1782 O SER A 110 15.585 -5.840 5.758 1.00 2.14 O ATOM 1783 CB SER A 110 13.456 -5.571 3.199 1.00 71.05 C ATOM 1784 OG SER A 110 14.026 -6.861 3.029 1.00 0.53 O ATOM 0 H SER A 110 12.824 -3.289 3.861 1.00 20.14 H new ATOM 0 HA SER A 110 13.095 -5.775 5.320 1.00 21.31 H new ATOM 0 HB2 SER A 110 12.404 -5.601 2.917 1.00 71.05 H new ATOM 0 HB3 SER A 110 13.947 -4.868 2.526 1.00 71.05 H new ATOM 0 HG SER A 110 13.923 -7.144 2.096 1.00 0.53 H new ATOM 1790 N GLY A 111 15.724 -3.820 4.698 1.00 72.11 N ATOM 1791 CA GLY A 111 17.146 -3.631 5.000 1.00 2.35 C ATOM 1792 C GLY A 111 17.419 -2.930 6.337 1.00 2.00 C ATOM 1793 O GLY A 111 18.005 -3.542 7.239 1.00 70.22 O ATOM 0 H GLY A 111 15.294 -3.051 4.184 1.00 72.11 H new ATOM 0 HA2 GLY A 111 17.637 -4.604 5.006 1.00 2.35 H new ATOM 0 HA3 GLY A 111 17.602 -3.050 4.198 1.00 2.35 H new ATOM 1797 N MET A 112 16.997 -1.654 6.485 1.00 63.02 N ATOM 1798 CA MET A 112 17.242 -0.878 7.732 1.00 33.33 C ATOM 1799 C MET A 112 16.035 -0.893 8.712 1.00 31.55 C ATOM 1800 O MET A 112 16.086 -1.616 9.722 1.00 74.51 O ATOM 1801 CB MET A 112 17.635 0.579 7.338 1.00 14.22 C ATOM 1802 CG MET A 112 17.713 1.564 8.514 1.00 1.14 C ATOM 1803 SD MET A 112 18.753 0.990 9.869 1.00 61.23 S ATOM 1804 CE MET A 112 18.327 2.180 11.140 1.00 3.33 C ATOM 0 H MET A 112 16.489 -1.139 5.766 1.00 63.02 H new ATOM 0 HA MET A 112 18.057 -1.355 8.276 1.00 33.33 H new ATOM 0 HB2 MET A 112 18.602 0.557 6.836 1.00 14.22 H new ATOM 0 HB3 MET A 112 16.910 0.954 6.616 1.00 14.22 H new ATOM 0 HG2 MET A 112 18.096 2.518 8.153 1.00 1.14 H new ATOM 0 HG3 MET A 112 16.707 1.746 8.892 1.00 1.14 H new ATOM 0 HE1 MET A 112 18.890 1.960 12.047 1.00 3.33 H new ATOM 0 HE2 MET A 112 18.572 3.184 10.795 1.00 3.33 H new ATOM 0 HE3 MET A 112 17.259 2.120 11.352 1.00 3.33 H new ATOM 1814 N LEU A 113 14.917 -0.185 8.340 1.00 41.12 N ATOM 1815 CA LEU A 113 13.693 -0.041 9.187 1.00 73.22 C ATOM 1816 C LEU A 113 12.747 1.025 8.553 1.00 75.43 C ATOM 1817 O LEU A 113 12.228 1.908 9.228 1.00 73.34 O ATOM 1818 CB LEU A 113 14.056 0.375 10.666 1.00 21.13 C ATOM 1819 CG LEU A 113 12.901 0.260 11.718 1.00 75.44 C ATOM 1820 CD1 LEU A 113 12.369 -1.182 11.818 1.00 72.04 C ATOM 1821 CD2 LEU A 113 13.332 0.801 13.100 1.00 42.31 C ATOM 0 H LEU A 113 14.845 0.299 7.445 1.00 41.12 H new ATOM 0 HA LEU A 113 13.191 -1.008 9.228 1.00 73.22 H new ATOM 0 HB2 LEU A 113 14.888 -0.243 11.002 1.00 21.13 H new ATOM 0 HB3 LEU A 113 14.409 1.406 10.655 1.00 21.13 H new ATOM 0 HG LEU A 113 12.081 0.887 11.367 1.00 75.44 H new ATOM 0 HD11 LEU A 113 11.569 -1.224 12.557 1.00 72.04 H new ATOM 0 HD12 LEU A 113 11.984 -1.496 10.848 1.00 72.04 H new ATOM 0 HD13 LEU A 113 13.177 -1.848 12.120 1.00 72.04 H new ATOM 0 HD21 LEU A 113 12.504 0.704 13.803 1.00 42.31 H new ATOM 0 HD22 LEU A 113 14.186 0.230 13.464 1.00 42.31 H new ATOM 0 HD23 LEU A 113 13.610 1.851 13.009 1.00 42.31 H new ATOM 1833 N LEU A 114 12.622 0.970 7.215 1.00 24.02 N ATOM 1834 CA LEU A 114 11.773 1.871 6.361 1.00 22.54 C ATOM 1835 C LEU A 114 12.420 3.275 6.192 1.00 73.10 C ATOM 1836 O LEU A 114 12.157 3.977 5.209 1.00 55.21 O ATOM 1837 CB LEU A 114 10.272 1.903 6.834 1.00 34.02 C ATOM 1838 CG LEU A 114 9.184 2.418 5.799 1.00 32.34 C ATOM 1839 CD1 LEU A 114 7.815 1.723 6.023 1.00 40.12 C ATOM 1840 CD2 LEU A 114 9.012 3.957 5.842 1.00 31.12 C ATOM 0 H LEU A 114 13.123 0.275 6.661 1.00 24.02 H new ATOM 0 HA LEU A 114 11.737 1.444 5.359 1.00 22.54 H new ATOM 0 HB2 LEU A 114 9.994 0.894 7.138 1.00 34.02 H new ATOM 0 HB3 LEU A 114 10.214 2.531 7.723 1.00 34.02 H new ATOM 0 HG LEU A 114 9.554 2.152 4.809 1.00 32.34 H new ATOM 0 HD11 LEU A 114 7.093 2.099 5.298 1.00 40.12 H new ATOM 0 HD12 LEU A 114 7.929 0.646 5.897 1.00 40.12 H new ATOM 0 HD13 LEU A 114 7.460 1.935 7.031 1.00 40.12 H new ATOM 0 HD21 LEU A 114 8.257 4.259 5.116 1.00 31.12 H new ATOM 0 HD22 LEU A 114 8.697 4.260 6.841 1.00 31.12 H new ATOM 0 HD23 LEU A 114 9.961 4.436 5.600 1.00 31.12 H new