USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1135 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 Single : A 1 MET CE :methyl -160:sc= 0 (180deg=-0.266) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.785 (180deg=-1.65) USER MOD Single : A 2 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.4!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0701 USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= 0.531 (180deg=-0.099) USER MOD Single : A 17 THR OG1 : rot -21:sc= 0.13 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -108:sc= -3.49 (180deg=-8.04!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -137:sc= -7.06! (180deg=-8.36!) USER MOD Single : A 43 MET CE :methyl -133:sc= -1.73 (180deg=-6.77!) USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= -0.994 (180deg=-1.01) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.0104 (180deg=-0.23) USER MOD Single : A 46 SER OG : rot -21:sc= 0.122 USER MOD Single : A 47 LYS NZ :NH3+ 162:sc=-0.00314 (180deg=-0.0993) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= 0.455 (180deg=0.0463) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.213 USER MOD Single : A 53 ASN : amide:sc=-0.000984 K(o=-0.00098,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.217 K(o=-0.22,f=-0.84) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= -0.025 (180deg=-0.26) USER MOD Single : A 80 THR OG1 : rot 163:sc= 1.22 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.74! USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc=-0.00774 K(o=-0.0077,f=-0.71) USER MOD Single : A 100 SER OG : rot 102:sc= 0.119 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 CYS SG : rot 75:sc= -0.615 USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.0432 F(o=-0.67,f=-0.043) USER MOD Single : A 119 CYS SG : rot 127:sc= 0.621 USER MOD Single : A 123 THR OG1 : rot 114:sc= 0.95 USER MOD Single : A 125 TYR OH : rot 180:sc= -0.628 USER MOD Single : A 126 TYR OH : rot -61:sc= 1.22 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -33:sc= 0.09 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.633 1.150 -9.411 1.00 11.32 N ATOM 2 CA MET A 1 2.593 1.355 -7.967 1.00 41.45 C ATOM 3 C MET A 1 3.911 0.939 -7.323 1.00 23.13 C ATOM 4 O MET A 1 4.783 0.373 -7.981 1.00 2.42 O ATOM 5 CB MET A 1 1.438 0.565 -7.350 1.00 53.11 C ATOM 6 CG MET A 1 1.565 -0.939 -7.532 1.00 14.31 C ATOM 7 SD MET A 1 0.037 -1.816 -7.146 1.00 64.22 S ATOM 8 CE MET A 1 -0.436 -2.403 -8.771 1.00 44.21 C ATOM 0 H1 MET A 1 1.671 1.227 -9.799 1.00 11.32 H new ATOM 0 H2 MET A 1 3.241 1.872 -9.847 1.00 11.32 H new ATOM 0 H3 MET A 1 3.015 0.205 -9.617 1.00 11.32 H new ATOM 0 HA MET A 1 2.437 2.417 -7.780 1.00 41.45 H new ATOM 0 HB2 MET A 1 1.382 0.790 -6.285 1.00 53.11 H new ATOM 0 HB3 MET A 1 0.501 0.899 -7.796 1.00 53.11 H new ATOM 0 HG2 MET A 1 1.853 -1.154 -8.561 1.00 14.31 H new ATOM 0 HG3 MET A 1 2.365 -1.312 -6.893 1.00 14.31 H new ATOM 0 HE1 MET A 1 -1.499 -2.644 -8.776 1.00 44.21 H new ATOM 0 HE2 MET A 1 -0.237 -1.627 -9.510 1.00 44.21 H new ATOM 0 HE3 MET A 1 0.139 -3.295 -9.017 1.00 44.21 H new ATOM 18 N ASN A 2 4.049 1.223 -6.032 1.00 21.24 N ATOM 19 CA ASN A 2 5.262 0.878 -5.298 1.00 52.14 C ATOM 20 C ASN A 2 5.157 -0.522 -4.702 1.00 21.05 C ATOM 21 O ASN A 2 4.066 -1.083 -4.596 1.00 3.14 O ATOM 22 CB ASN A 2 5.520 1.900 -4.189 1.00 73.30 C ATOM 23 CG ASN A 2 6.353 3.073 -4.666 1.00 43.31 C ATOM 24 OD1 ASN A 2 6.955 3.026 -5.739 1.00 23.00 O ATOM 25 ND2 ASN A 2 6.392 4.134 -3.869 1.00 1.35 N ATOM 0 H ASN A 2 3.336 1.691 -5.472 1.00 21.24 H new ATOM 0 HA ASN A 2 6.098 0.893 -5.998 1.00 52.14 H new ATOM 0 HB2 ASN A 2 4.567 2.266 -3.807 1.00 73.30 H new ATOM 0 HB3 ASN A 2 6.029 1.410 -3.359 1.00 73.30 H new ATOM 0 HD21 ASN A 2 6.936 4.954 -4.137 1.00 1.35 H new ATOM 0 HD22 ASN A 2 5.877 4.129 -2.988 1.00 1.35 H new ATOM 32 N ASP A 3 6.298 -1.080 -4.313 1.00 22.12 N ATOM 33 CA ASP A 3 6.336 -2.414 -3.725 1.00 35.14 C ATOM 34 C ASP A 3 7.161 -2.419 -2.442 1.00 22.51 C ATOM 35 O ASP A 3 7.770 -1.412 -2.080 1.00 65.43 O ATOM 36 CB ASP A 3 6.914 -3.419 -4.722 1.00 51.45 C ATOM 37 CG ASP A 3 5.854 -4.007 -5.632 1.00 75.02 C ATOM 38 OD1 ASP A 3 5.134 -3.225 -6.287 1.00 51.23 O ATOM 39 OD2 ASP A 3 5.743 -5.250 -5.688 1.00 54.13 O ATOM 0 H ASP A 3 7.209 -0.629 -4.394 1.00 22.12 H new ATOM 0 HA ASP A 3 5.314 -2.705 -3.480 1.00 35.14 H new ATOM 0 HB2 ASP A 3 7.677 -2.929 -5.327 1.00 51.45 H new ATOM 0 HB3 ASP A 3 7.408 -4.224 -4.177 1.00 51.45 H new ATOM 44 N ILE A 4 7.176 -3.559 -1.758 1.00 55.25 N ATOM 45 CA ILE A 4 7.926 -3.695 -0.516 1.00 42.44 C ATOM 46 C ILE A 4 8.998 -4.773 -0.637 1.00 0.42 C ATOM 47 O ILE A 4 8.877 -5.695 -1.443 1.00 21.10 O ATOM 48 CB ILE A 4 7.001 -4.037 0.666 1.00 13.52 C ATOM 49 CG1 ILE A 4 5.826 -4.893 0.191 1.00 35.52 C ATOM 50 CG2 ILE A 4 6.500 -2.764 1.332 1.00 0.42 C ATOM 51 CD1 ILE A 4 6.247 -6.213 -0.417 1.00 12.12 C ATOM 0 H ILE A 4 6.677 -4.401 -2.044 1.00 55.25 H new ATOM 0 HA ILE A 4 8.401 -2.732 -0.327 1.00 42.44 H new ATOM 0 HB ILE A 4 7.570 -4.608 1.400 1.00 13.52 H new ATOM 0 HG12 ILE A 4 5.163 -5.086 1.034 1.00 35.52 H new ATOM 0 HG13 ILE A 4 5.251 -4.330 -0.544 1.00 35.52 H new ATOM 0 HG21 ILE A 4 5.847 -3.022 2.166 1.00 0.42 H new ATOM 0 HG22 ILE A 4 7.349 -2.188 1.701 1.00 0.42 H new ATOM 0 HG23 ILE A 4 5.945 -2.169 0.607 1.00 0.42 H new ATOM 0 HD11 ILE A 4 5.363 -6.767 -0.731 1.00 12.12 H new ATOM 0 HD12 ILE A 4 6.886 -6.028 -1.281 1.00 12.12 H new ATOM 0 HD13 ILE A 4 6.796 -6.796 0.323 1.00 12.12 H new ATOM 63 N ARG A 5 10.046 -4.650 0.171 1.00 31.34 N ATOM 64 CA ARG A 5 11.139 -5.615 0.156 1.00 2.40 C ATOM 65 C ARG A 5 10.622 -7.027 0.413 1.00 1.14 C ATOM 66 O ARG A 5 9.692 -7.225 1.196 1.00 40.23 O ATOM 67 CB ARG A 5 12.188 -5.245 1.206 1.00 4.22 C ATOM 68 CG ARG A 5 13.174 -4.188 0.736 1.00 4.12 C ATOM 69 CD ARG A 5 12.474 -2.876 0.416 1.00 65.42 C ATOM 70 NE ARG A 5 11.639 -2.417 1.522 1.00 23.12 N ATOM 71 CZ ARG A 5 10.801 -1.390 1.433 1.00 21.43 C ATOM 72 NH1 ARG A 5 10.687 -0.720 0.295 1.00 31.21 N ATOM 73 NH2 ARG A 5 10.075 -1.033 2.484 1.00 15.44 N ATOM 0 H ARG A 5 10.161 -3.892 0.844 1.00 31.34 H new ATOM 0 HA ARG A 5 11.599 -5.590 -0.832 1.00 2.40 H new ATOM 0 HB2 ARG A 5 11.682 -4.885 2.102 1.00 4.22 H new ATOM 0 HB3 ARG A 5 12.738 -6.142 1.490 1.00 4.22 H new ATOM 0 HG2 ARG A 5 13.926 -4.022 1.507 1.00 4.12 H new ATOM 0 HG3 ARG A 5 13.699 -4.547 -0.149 1.00 4.12 H new ATOM 0 HD2 ARG A 5 13.219 -2.115 0.184 1.00 65.42 H new ATOM 0 HD3 ARG A 5 11.859 -3.001 -0.475 1.00 65.42 H new ATOM 0 HE ARG A 5 11.702 -2.912 2.412 1.00 23.12 H new ATOM 0 HH11 ARG A 5 11.243 -0.993 -0.515 1.00 31.21 H new ATOM 0 HH12 ARG A 5 10.043 0.068 0.230 1.00 31.21 H new ATOM 0 HH21 ARG A 5 10.160 -1.547 3.361 1.00 15.44 H new ATOM 0 HH22 ARG A 5 9.432 -0.244 2.415 1.00 15.44 H new ATOM 87 N ILE A 6 11.231 -8.004 -0.250 1.00 74.21 N ATOM 88 CA ILE A 6 10.832 -9.397 -0.093 1.00 31.34 C ATOM 89 C ILE A 6 11.621 -10.072 1.025 1.00 52.14 C ATOM 90 O ILE A 6 11.080 -10.878 1.782 1.00 1.31 O ATOM 91 CB ILE A 6 11.031 -10.191 -1.397 1.00 54.25 C ATOM 92 CG1 ILE A 6 10.449 -9.418 -2.583 1.00 72.43 C ATOM 93 CG2 ILE A 6 10.386 -11.564 -1.286 1.00 22.35 C ATOM 94 CD1 ILE A 6 11.425 -8.448 -3.210 1.00 2.43 C ATOM 0 H ILE A 6 12.002 -7.857 -0.901 1.00 74.21 H new ATOM 0 HA ILE A 6 9.772 -9.394 0.163 1.00 31.34 H new ATOM 0 HB ILE A 6 12.100 -10.326 -1.563 1.00 54.25 H new ATOM 0 HG12 ILE A 6 10.117 -10.128 -3.341 1.00 72.43 H new ATOM 0 HG13 ILE A 6 9.567 -8.870 -2.251 1.00 72.43 H new ATOM 0 HG21 ILE A 6 10.536 -12.113 -2.216 1.00 22.35 H new ATOM 0 HG22 ILE A 6 10.841 -12.114 -0.463 1.00 22.35 H new ATOM 0 HG23 ILE A 6 9.318 -11.450 -1.100 1.00 22.35 H new ATOM 0 HD11 ILE A 6 10.944 -7.936 -4.044 1.00 2.43 H new ATOM 0 HD12 ILE A 6 11.738 -7.715 -2.466 1.00 2.43 H new ATOM 0 HD13 ILE A 6 12.297 -8.992 -3.573 1.00 2.43 H new ATOM 106 N VAL A 7 12.903 -9.736 1.122 1.00 2.34 N ATOM 107 CA VAL A 7 13.767 -10.306 2.149 1.00 30.30 C ATOM 108 C VAL A 7 14.940 -9.383 2.456 1.00 43.52 C ATOM 109 O VAL A 7 15.948 -9.362 1.749 1.00 72.04 O ATOM 110 CB VAL A 7 14.310 -11.684 1.724 1.00 53.31 C ATOM 111 CG1 VAL A 7 13.218 -12.739 1.813 1.00 54.35 C ATOM 112 CG2 VAL A 7 14.886 -11.618 0.318 1.00 51.24 C ATOM 0 H VAL A 7 13.366 -9.072 0.502 1.00 2.34 H new ATOM 0 HA VAL A 7 13.158 -10.424 3.045 1.00 30.30 H new ATOM 0 HB VAL A 7 15.111 -11.967 2.407 1.00 53.31 H new ATOM 0 HG11 VAL A 7 13.620 -13.705 1.509 1.00 54.35 H new ATOM 0 HG12 VAL A 7 12.857 -12.803 2.839 1.00 54.35 H new ATOM 0 HG13 VAL A 7 12.394 -12.466 1.154 1.00 54.35 H new ATOM 0 HG21 VAL A 7 15.265 -12.600 0.034 1.00 51.24 H new ATOM 0 HG22 VAL A 7 14.107 -11.314 -0.381 1.00 51.24 H new ATOM 0 HG23 VAL A 7 15.700 -10.893 0.292 1.00 51.24 H new ATOM 122 N PRO A 8 14.809 -8.599 3.536 1.00 4.24 N ATOM 123 CA PRO A 8 15.850 -7.658 3.963 1.00 72.31 C ATOM 124 C PRO A 8 17.085 -8.368 4.506 1.00 4.11 C ATOM 125 O PRO A 8 17.073 -9.581 4.715 1.00 44.43 O ATOM 126 CB PRO A 8 15.167 -6.851 5.070 1.00 74.52 C ATOM 127 CG PRO A 8 14.106 -7.755 5.598 1.00 63.12 C ATOM 128 CD PRO A 8 13.636 -8.571 4.425 1.00 12.24 C ATOM 0 HA PRO A 8 16.213 -7.049 3.135 1.00 72.31 H new ATOM 0 HB2 PRO A 8 15.875 -6.572 5.851 1.00 74.52 H new ATOM 0 HB3 PRO A 8 14.741 -5.926 4.681 1.00 74.52 H new ATOM 0 HG2 PRO A 8 14.497 -8.396 6.388 1.00 63.12 H new ATOM 0 HG3 PRO A 8 13.285 -7.183 6.029 1.00 63.12 H new ATOM 0 HD2 PRO A 8 13.337 -9.575 4.728 1.00 12.24 H new ATOM 0 HD3 PRO A 8 12.774 -8.115 3.938 1.00 12.24 H new ATOM 136 N GLN A 9 18.149 -7.604 4.733 1.00 10.11 N ATOM 137 CA GLN A 9 19.392 -8.161 5.252 1.00 24.21 C ATOM 138 C GLN A 9 19.143 -8.949 6.534 1.00 73.33 C ATOM 139 O GLN A 9 18.025 -8.975 7.050 1.00 60.01 O ATOM 140 CB GLN A 9 20.406 -7.046 5.515 1.00 54.44 C ATOM 141 CG GLN A 9 19.862 -5.922 6.382 1.00 51.20 C ATOM 142 CD GLN A 9 20.798 -4.731 6.449 1.00 72.14 C ATOM 143 OE1 GLN A 9 20.764 -3.852 5.587 1.00 5.33 O ATOM 144 NE2 GLN A 9 21.640 -4.696 7.475 1.00 71.32 N ATOM 0 H GLN A 9 18.175 -6.598 4.566 1.00 10.11 H new ATOM 0 HA GLN A 9 19.796 -8.841 4.502 1.00 24.21 H new ATOM 0 HB2 GLN A 9 21.286 -7.472 5.997 1.00 54.44 H new ATOM 0 HB3 GLN A 9 20.734 -6.632 4.562 1.00 54.44 H new ATOM 0 HG2 GLN A 9 18.898 -5.600 5.989 1.00 51.20 H new ATOM 0 HG3 GLN A 9 19.686 -6.298 7.390 1.00 51.20 H new ATOM 0 HE21 GLN A 9 21.633 -5.446 8.166 1.00 71.32 H new ATOM 0 HE22 GLN A 9 22.293 -3.919 7.572 1.00 71.32 H new ATOM 153 N ILE A 10 20.190 -9.591 7.041 1.00 14.24 N ATOM 154 CA ILE A 10 20.083 -10.379 8.263 1.00 42.11 C ATOM 155 C ILE A 10 21.074 -9.896 9.317 1.00 51.12 C ATOM 156 O ILE A 10 22.275 -9.806 9.061 1.00 2.34 O ATOM 157 CB ILE A 10 20.329 -11.875 7.991 1.00 12.20 C ATOM 158 CG1 ILE A 10 21.736 -12.089 7.431 1.00 63.25 C ATOM 159 CG2 ILE A 10 19.282 -12.417 7.030 1.00 73.31 C ATOM 160 CD1 ILE A 10 21.970 -13.487 6.902 1.00 74.13 C ATOM 0 H ILE A 10 21.121 -9.581 6.625 1.00 14.24 H new ATOM 0 HA ILE A 10 19.067 -10.248 8.635 1.00 42.11 H new ATOM 0 HB ILE A 10 20.247 -12.419 8.932 1.00 12.20 H new ATOM 0 HG12 ILE A 10 21.912 -11.372 6.629 1.00 63.25 H new ATOM 0 HG13 ILE A 10 22.465 -11.878 8.213 1.00 63.25 H new ATOM 0 HG21 ILE A 10 19.469 -13.475 6.847 1.00 73.31 H new ATOM 0 HG22 ILE A 10 18.290 -12.293 7.465 1.00 73.31 H new ATOM 0 HG23 ILE A 10 19.336 -11.871 6.088 1.00 73.31 H new ATOM 0 HD11 ILE A 10 22.988 -13.566 6.521 1.00 74.13 H new ATOM 0 HD12 ILE A 10 21.826 -14.209 7.706 1.00 74.13 H new ATOM 0 HD13 ILE A 10 21.264 -13.694 6.098 1.00 74.13 H new ATOM 172 N THR A 11 20.563 -9.587 10.505 1.00 74.53 N ATOM 173 CA THR A 11 21.402 -9.114 11.598 1.00 34.44 C ATOM 174 C THR A 11 22.169 -10.265 12.240 1.00 41.32 C ATOM 175 O THR A 11 21.981 -11.427 11.879 1.00 42.43 O ATOM 176 CB THR A 11 20.567 -8.403 12.680 1.00 75.31 C ATOM 177 OG1 THR A 11 19.229 -8.199 12.211 1.00 61.12 O ATOM 178 CG2 THR A 11 21.189 -7.066 13.052 1.00 53.24 C ATOM 0 H THR A 11 19.571 -9.656 10.734 1.00 74.53 H new ATOM 0 HA THR A 11 22.109 -8.404 11.169 1.00 34.44 H new ATOM 0 HB THR A 11 20.548 -9.036 13.567 1.00 75.31 H new ATOM 0 HG1 THR A 11 18.704 -7.748 12.905 1.00 61.12 H new ATOM 0 HG21 THR A 11 20.582 -6.583 13.817 1.00 53.24 H new ATOM 0 HG22 THR A 11 22.196 -7.228 13.436 1.00 53.24 H new ATOM 0 HG23 THR A 11 21.235 -6.428 12.169 1.00 53.24 H new ATOM 186 N ASP A 12 23.034 -9.934 13.193 1.00 75.22 N ATOM 187 CA ASP A 12 23.829 -10.941 13.886 1.00 12.23 C ATOM 188 C ASP A 12 22.931 -11.987 14.540 1.00 42.20 C ATOM 189 O ASP A 12 23.296 -13.158 14.637 1.00 44.12 O ATOM 190 CB ASP A 12 24.717 -10.281 14.942 1.00 30.14 C ATOM 191 CG ASP A 12 24.061 -10.244 16.309 1.00 45.11 C ATOM 192 OD1 ASP A 12 23.008 -9.587 16.444 1.00 11.13 O ATOM 193 OD2 ASP A 12 24.602 -10.873 17.243 1.00 55.42 O ATOM 0 H ASP A 12 23.202 -8.977 13.503 1.00 75.22 H new ATOM 0 HA ASP A 12 24.461 -11.440 13.151 1.00 12.23 H new ATOM 0 HB2 ASP A 12 25.660 -10.823 15.009 1.00 30.14 H new ATOM 0 HB3 ASP A 12 24.955 -9.264 14.629 1.00 30.14 H new ATOM 198 N GLU A 13 21.756 -11.555 14.988 1.00 44.24 N ATOM 199 CA GLU A 13 20.808 -12.455 15.634 1.00 42.51 C ATOM 200 C GLU A 13 20.201 -13.423 14.623 1.00 52.44 C ATOM 201 O GLU A 13 19.801 -14.532 14.974 1.00 70.13 O ATOM 202 CB GLU A 13 19.699 -11.655 16.321 1.00 40.25 C ATOM 203 CG GLU A 13 20.209 -10.462 17.111 1.00 0.40 C ATOM 204 CD GLU A 13 19.102 -9.734 17.849 1.00 72.31 C ATOM 205 OE1 GLU A 13 18.207 -9.178 17.179 1.00 43.14 O ATOM 206 OE2 GLU A 13 19.130 -9.722 19.097 1.00 23.25 O ATOM 0 H GLU A 13 21.438 -10.588 14.915 1.00 44.24 H new ATOM 0 HA GLU A 13 21.348 -13.033 16.384 1.00 42.51 H new ATOM 0 HB2 GLU A 13 18.994 -11.306 15.567 1.00 40.25 H new ATOM 0 HB3 GLU A 13 19.148 -12.315 16.991 1.00 40.25 H new ATOM 0 HG2 GLU A 13 20.958 -10.799 17.828 1.00 0.40 H new ATOM 0 HG3 GLU A 13 20.706 -9.768 16.433 1.00 0.40 H new ATOM 213 N GLU A 14 20.135 -12.993 13.366 1.00 3.13 N ATOM 214 CA GLU A 14 19.575 -13.821 12.305 1.00 44.03 C ATOM 215 C GLU A 14 20.664 -14.651 11.631 1.00 42.14 C ATOM 216 O GLU A 14 20.382 -15.665 10.993 1.00 72.42 O ATOM 217 CB GLU A 14 18.868 -12.948 11.266 1.00 33.11 C ATOM 218 CG GLU A 14 17.819 -12.023 11.861 1.00 24.12 C ATOM 219 CD GLU A 14 16.509 -12.732 12.143 1.00 13.40 C ATOM 220 OE1 GLU A 14 16.518 -13.977 12.243 1.00 55.51 O ATOM 221 OE2 GLU A 14 15.475 -12.042 12.263 1.00 33.03 O ATOM 0 H GLU A 14 20.462 -12.077 13.059 1.00 3.13 H new ATOM 0 HA GLU A 14 18.849 -14.500 12.753 1.00 44.03 H new ATOM 0 HB2 GLU A 14 19.612 -12.349 10.740 1.00 33.11 H new ATOM 0 HB3 GLU A 14 18.394 -13.592 10.525 1.00 33.11 H new ATOM 0 HG2 GLU A 14 18.202 -11.593 12.787 1.00 24.12 H new ATOM 0 HG3 GLU A 14 17.639 -11.195 11.175 1.00 24.12 H new ATOM 228 N PHE A 15 21.910 -14.212 11.776 1.00 0.22 N ATOM 229 CA PHE A 15 23.042 -14.912 11.181 1.00 70.23 C ATOM 230 C PHE A 15 23.668 -15.882 12.179 1.00 52.11 C ATOM 231 O PHE A 15 24.248 -16.898 11.795 1.00 10.14 O ATOM 232 CB PHE A 15 24.093 -13.910 10.699 1.00 51.12 C ATOM 233 CG PHE A 15 25.416 -14.540 10.370 1.00 21.14 C ATOM 234 CD1 PHE A 15 26.348 -14.786 11.366 1.00 35.03 C ATOM 235 CD2 PHE A 15 25.729 -14.886 9.066 1.00 72.14 C ATOM 236 CE1 PHE A 15 27.566 -15.366 11.068 1.00 60.24 C ATOM 237 CE2 PHE A 15 26.945 -15.467 8.761 1.00 4.20 C ATOM 238 CZ PHE A 15 27.866 -15.706 9.763 1.00 74.01 C ATOM 0 H PHE A 15 22.161 -13.374 12.301 1.00 0.22 H new ATOM 0 HA PHE A 15 22.676 -15.483 10.328 1.00 70.23 H new ATOM 0 HB2 PHE A 15 23.715 -13.396 9.815 1.00 51.12 H new ATOM 0 HB3 PHE A 15 24.242 -13.153 11.469 1.00 51.12 H new ATOM 0 HD1 PHE A 15 26.119 -14.521 12.388 1.00 35.03 H new ATOM 0 HD2 PHE A 15 25.014 -14.699 8.278 1.00 72.14 H new ATOM 0 HE1 PHE A 15 28.283 -15.553 11.854 1.00 60.24 H new ATOM 0 HE2 PHE A 15 27.175 -15.734 7.740 1.00 4.20 H new ATOM 0 HZ PHE A 15 28.818 -16.158 9.527 1.00 74.01 H new ATOM 248 N LYS A 16 23.546 -15.561 13.462 1.00 2.44 N ATOM 249 CA LYS A 16 24.098 -16.402 14.518 1.00 43.42 C ATOM 250 C LYS A 16 23.157 -17.558 14.840 1.00 2.02 C ATOM 251 O LYS A 16 23.414 -18.347 15.751 1.00 42.54 O ATOM 252 CB LYS A 16 24.354 -15.572 15.778 1.00 2.10 C ATOM 253 CG LYS A 16 25.618 -14.733 15.708 1.00 44.15 C ATOM 254 CD LYS A 16 26.193 -14.473 17.090 1.00 40.01 C ATOM 255 CE LYS A 16 25.203 -13.731 17.975 1.00 73.33 C ATOM 256 NZ LYS A 16 25.887 -12.795 18.909 1.00 52.32 N ATOM 0 H LYS A 16 23.069 -14.724 13.796 1.00 2.44 H new ATOM 0 HA LYS A 16 25.043 -16.814 14.164 1.00 43.42 H new ATOM 0 HB2 LYS A 16 23.501 -14.915 15.950 1.00 2.10 H new ATOM 0 HB3 LYS A 16 24.419 -16.241 16.636 1.00 2.10 H new ATOM 0 HG2 LYS A 16 26.361 -15.243 15.094 1.00 44.15 H new ATOM 0 HG3 LYS A 16 25.399 -13.783 15.220 1.00 44.15 H new ATOM 0 HD2 LYS A 16 26.462 -15.420 17.558 1.00 40.01 H new ATOM 0 HD3 LYS A 16 27.110 -13.891 17.000 1.00 40.01 H new ATOM 0 HE2 LYS A 16 24.504 -13.175 17.351 1.00 73.33 H new ATOM 0 HE3 LYS A 16 24.617 -14.451 18.547 1.00 73.33 H new ATOM 0 HZ1 LYS A 16 25.537 -12.951 19.876 1.00 52.32 H new ATOM 0 HZ2 LYS A 16 26.913 -12.964 18.881 1.00 52.32 H new ATOM 0 HZ3 LYS A 16 25.690 -11.814 18.624 1.00 52.32 H new ATOM 270 N THR A 17 22.066 -17.655 14.087 1.00 50.20 N ATOM 271 CA THR A 17 21.087 -18.715 14.292 1.00 1.24 C ATOM 272 C THR A 17 21.560 -20.027 13.677 1.00 51.33 C ATOM 273 O THR A 17 21.049 -21.098 14.007 1.00 44.52 O ATOM 274 CB THR A 17 19.720 -18.341 13.689 1.00 33.34 C ATOM 275 OG1 THR A 17 18.746 -19.335 14.030 1.00 43.21 O ATOM 276 CG2 THR A 17 19.812 -18.212 12.176 1.00 25.55 C ATOM 0 H THR A 17 21.838 -17.012 13.329 1.00 50.20 H new ATOM 0 HA THR A 17 20.978 -18.841 15.369 1.00 1.24 H new ATOM 0 HB THR A 17 19.417 -17.379 14.101 1.00 33.34 H new ATOM 0 HG1 THR A 17 19.200 -20.171 14.266 1.00 43.21 H new ATOM 0 HG21 THR A 17 18.834 -17.947 11.773 1.00 25.55 H new ATOM 0 HG22 THR A 17 20.532 -17.435 11.920 1.00 25.55 H new ATOM 0 HG23 THR A 17 20.135 -19.161 11.749 1.00 25.55 H new ATOM 284 N ILE A 18 22.538 -19.936 12.782 1.00 72.24 N ATOM 285 CA ILE A 18 23.080 -21.117 12.122 1.00 62.24 C ATOM 286 C ILE A 18 24.498 -21.411 12.599 1.00 22.43 C ATOM 287 O ILE A 18 25.335 -20.517 12.726 1.00 22.40 O ATOM 288 CB ILE A 18 23.090 -20.952 10.590 1.00 4.35 C ATOM 289 CG1 ILE A 18 23.555 -19.544 10.211 1.00 73.11 C ATOM 290 CG2 ILE A 18 21.709 -21.232 10.018 1.00 12.03 C ATOM 291 CD1 ILE A 18 22.425 -18.625 9.802 1.00 61.15 C ATOM 0 H ILE A 18 22.971 -19.057 12.498 1.00 72.24 H new ATOM 0 HA ILE A 18 22.430 -21.951 12.385 1.00 62.24 H new ATOM 0 HB ILE A 18 23.790 -21.672 10.166 1.00 4.35 H new ATOM 0 HG12 ILE A 18 24.082 -19.104 11.057 1.00 73.11 H new ATOM 0 HG13 ILE A 18 24.270 -19.614 9.391 1.00 73.11 H new ATOM 0 HG21 ILE A 18 21.732 -21.111 8.935 1.00 12.03 H new ATOM 0 HG22 ILE A 18 21.414 -22.252 10.263 1.00 12.03 H new ATOM 0 HG23 ILE A 18 20.990 -20.533 10.445 1.00 12.03 H new ATOM 0 HD11 ILE A 18 22.827 -17.645 9.547 1.00 61.15 H new ATOM 0 HD12 ILE A 18 21.911 -19.043 8.936 1.00 61.15 H new ATOM 0 HD13 ILE A 18 21.721 -18.524 10.628 1.00 61.15 H new ATOM 303 N PRO A 19 24.777 -22.695 12.870 1.00 61.23 N ATOM 304 CA PRO A 19 26.095 -23.138 13.335 1.00 13.04 C ATOM 305 C PRO A 19 27.159 -23.034 12.248 1.00 12.22 C ATOM 306 O PRO A 19 26.844 -22.988 11.059 1.00 40.41 O ATOM 307 CB PRO A 19 25.862 -24.602 13.718 1.00 43.14 C ATOM 308 CG PRO A 19 24.700 -25.030 12.890 1.00 13.50 C ATOM 309 CD PRO A 19 23.828 -23.814 12.741 1.00 12.51 C ATOM 0 HA PRO A 19 26.466 -22.523 14.154 1.00 13.04 H new ATOM 0 HB2 PRO A 19 26.742 -25.211 13.510 1.00 43.14 H new ATOM 0 HB3 PRO A 19 25.649 -24.704 14.782 1.00 43.14 H new ATOM 0 HG2 PRO A 19 25.028 -25.397 11.917 1.00 13.50 H new ATOM 0 HG3 PRO A 19 24.157 -25.843 13.371 1.00 13.50 H new ATOM 0 HD2 PRO A 19 23.319 -23.800 11.777 1.00 12.51 H new ATOM 0 HD3 PRO A 19 23.056 -23.777 13.510 1.00 12.51 H new ATOM 317 N LYS A 20 28.421 -22.997 12.663 1.00 35.54 N ATOM 318 CA LYS A 20 29.533 -22.901 11.725 1.00 14.54 C ATOM 319 C LYS A 20 29.562 -24.105 10.790 1.00 22.23 C ATOM 320 O LYS A 20 30.149 -24.050 9.709 1.00 10.32 O ATOM 321 CB LYS A 20 30.858 -22.797 12.483 1.00 22.02 C ATOM 322 CG LYS A 20 31.102 -23.949 13.443 1.00 15.42 C ATOM 323 CD LYS A 20 32.053 -23.552 14.560 1.00 62.45 C ATOM 324 CE LYS A 20 32.159 -24.642 15.615 1.00 33.41 C ATOM 325 NZ LYS A 20 32.761 -24.134 16.879 1.00 75.21 N ATOM 0 H LYS A 20 28.699 -23.032 13.644 1.00 35.54 H new ATOM 0 HA LYS A 20 29.393 -22.002 11.125 1.00 14.54 H new ATOM 0 HB2 LYS A 20 31.676 -22.755 11.764 1.00 22.02 H new ATOM 0 HB3 LYS A 20 30.875 -21.861 13.041 1.00 22.02 H new ATOM 0 HG2 LYS A 20 30.154 -24.275 13.870 1.00 15.42 H new ATOM 0 HG3 LYS A 20 31.514 -24.798 12.897 1.00 15.42 H new ATOM 0 HD2 LYS A 20 33.040 -23.349 14.144 1.00 62.45 H new ATOM 0 HD3 LYS A 20 31.706 -22.628 15.023 1.00 62.45 H new ATOM 0 HE2 LYS A 20 31.168 -25.045 15.821 1.00 33.41 H new ATOM 0 HE3 LYS A 20 32.763 -25.463 15.229 1.00 33.41 H new ATOM 0 HZ1 LYS A 20 32.816 -24.907 17.573 1.00 75.21 H new ATOM 0 HZ2 LYS A 20 33.717 -23.772 16.687 1.00 75.21 H new ATOM 0 HZ3 LYS A 20 32.171 -23.367 17.261 1.00 75.21 H new ATOM 339 N TYR A 21 28.925 -25.192 11.212 1.00 2.34 N ATOM 340 CA TYR A 21 28.880 -26.410 10.413 1.00 74.03 C ATOM 341 C TYR A 21 28.153 -26.169 9.093 1.00 1.30 C ATOM 342 O TYR A 21 28.271 -26.956 8.155 1.00 70.32 O ATOM 343 CB TYR A 21 28.188 -27.530 11.191 1.00 33.41 C ATOM 344 CG TYR A 21 29.051 -28.137 12.274 1.00 35.33 C ATOM 345 CD1 TYR A 21 29.384 -27.413 13.412 1.00 12.01 C ATOM 346 CD2 TYR A 21 29.532 -29.436 12.160 1.00 14.13 C ATOM 347 CE1 TYR A 21 30.172 -27.963 14.404 1.00 64.43 C ATOM 348 CE2 TYR A 21 30.320 -29.995 13.148 1.00 74.03 C ATOM 349 CZ TYR A 21 30.638 -29.255 14.267 1.00 13.41 C ATOM 350 OH TYR A 21 31.422 -29.807 15.253 1.00 24.04 O ATOM 0 H TYR A 21 28.433 -25.254 12.103 1.00 2.34 H new ATOM 0 HA TYR A 21 29.905 -26.708 10.194 1.00 74.03 H new ATOM 0 HB2 TYR A 21 27.276 -27.138 11.642 1.00 33.41 H new ATOM 0 HB3 TYR A 21 27.889 -28.313 10.495 1.00 33.41 H new ATOM 0 HD1 TYR A 21 29.020 -26.402 13.523 1.00 12.01 H new ATOM 0 HD2 TYR A 21 29.286 -30.018 11.284 1.00 14.13 H new ATOM 0 HE1 TYR A 21 30.422 -27.386 15.282 1.00 64.43 H new ATOM 0 HE2 TYR A 21 30.685 -31.006 13.044 1.00 74.03 H new ATOM 0 HH TYR A 21 31.665 -30.723 15.003 1.00 24.04 H new ATOM 360 N GLN A 22 27.403 -25.074 9.030 1.00 54.40 N ATOM 361 CA GLN A 22 26.657 -24.728 7.826 1.00 54.41 C ATOM 362 C GLN A 22 27.274 -23.518 7.132 1.00 50.02 C ATOM 363 O GLN A 22 27.252 -23.415 5.905 1.00 51.15 O ATOM 364 CB GLN A 22 25.194 -24.441 8.171 1.00 22.11 C ATOM 365 CG GLN A 22 24.522 -25.562 8.947 1.00 15.11 C ATOM 366 CD GLN A 22 23.928 -26.623 8.042 1.00 34.44 C ATOM 367 OE1 GLN A 22 24.640 -27.484 7.525 1.00 42.25 O ATOM 368 NE2 GLN A 22 22.615 -26.568 7.847 1.00 23.50 N ATOM 0 H GLN A 22 27.296 -24.411 9.798 1.00 54.40 H new ATOM 0 HA GLN A 22 26.703 -25.578 7.145 1.00 54.41 H new ATOM 0 HB2 GLN A 22 25.140 -23.523 8.756 1.00 22.11 H new ATOM 0 HB3 GLN A 22 24.640 -24.265 7.249 1.00 22.11 H new ATOM 0 HG2 GLN A 22 25.250 -26.024 9.614 1.00 15.11 H new ATOM 0 HG3 GLN A 22 23.735 -25.143 9.575 1.00 15.11 H new ATOM 0 HE21 GLN A 22 22.063 -25.837 8.295 1.00 23.50 H new ATOM 0 HE22 GLN A 22 22.159 -27.257 7.249 1.00 23.50 H new ATOM 377 N LEU A 23 27.824 -22.604 7.924 1.00 31.51 N ATOM 378 CA LEU A 23 28.448 -21.401 7.386 1.00 54.41 C ATOM 379 C LEU A 23 29.618 -21.755 6.474 1.00 3.35 C ATOM 380 O LEU A 23 29.617 -21.425 5.289 1.00 5.03 O ATOM 381 CB LEU A 23 28.927 -20.498 8.524 1.00 25.53 C ATOM 382 CG LEU A 23 27.876 -20.117 9.567 1.00 41.11 C ATOM 383 CD1 LEU A 23 28.515 -19.349 10.713 1.00 5.23 C ATOM 384 CD2 LEU A 23 26.764 -19.298 8.928 1.00 3.51 C ATOM 0 H LEU A 23 27.850 -22.673 8.941 1.00 31.51 H new ATOM 0 HA LEU A 23 27.702 -20.867 6.797 1.00 54.41 H new ATOM 0 HB2 LEU A 23 29.752 -20.996 9.034 1.00 25.53 H new ATOM 0 HB3 LEU A 23 29.328 -19.582 8.090 1.00 25.53 H new ATOM 0 HG LEU A 23 27.441 -21.032 9.969 1.00 41.11 H new ATOM 0 HD11 LEU A 23 27.752 -19.086 11.445 1.00 5.23 H new ATOM 0 HD12 LEU A 23 29.275 -19.969 11.188 1.00 5.23 H new ATOM 0 HD13 LEU A 23 28.977 -18.440 10.329 1.00 5.23 H new ATOM 0 HD21 LEU A 23 26.025 -19.035 9.685 1.00 3.51 H new ATOM 0 HD22 LEU A 23 27.183 -18.388 8.499 1.00 3.51 H new ATOM 0 HD23 LEU A 23 26.287 -19.883 8.142 1.00 3.51 H new ATOM 396 N GLY A 24 30.616 -22.431 7.036 1.00 11.14 N ATOM 397 CA GLY A 24 31.778 -22.821 6.260 1.00 40.34 C ATOM 398 C GLY A 24 32.559 -21.627 5.747 1.00 64.45 C ATOM 399 O GLY A 24 32.454 -21.266 4.574 1.00 5.24 O ATOM 0 H GLY A 24 30.640 -22.715 8.015 1.00 11.14 H new ATOM 0 HA2 GLY A 24 32.430 -23.441 6.875 1.00 40.34 H new ATOM 0 HA3 GLY A 24 31.459 -23.433 5.416 1.00 40.34 H new ATOM 403 N ARG A 25 33.344 -21.013 6.626 1.00 33.11 N ATOM 404 CA ARG A 25 34.143 -19.852 6.256 1.00 5.42 C ATOM 405 C ARG A 25 33.250 -18.667 5.901 1.00 13.11 C ATOM 406 O ARG A 25 33.708 -17.681 5.323 1.00 5.53 O ATOM 407 CB ARG A 25 35.055 -20.189 5.075 1.00 52.34 C ATOM 408 CG ARG A 25 35.732 -21.544 5.195 1.00 22.12 C ATOM 409 CD ARG A 25 36.621 -21.615 6.427 1.00 35.24 C ATOM 410 NE ARG A 25 37.690 -20.621 6.389 1.00 30.42 N ATOM 411 CZ ARG A 25 38.488 -20.361 7.418 1.00 25.14 C ATOM 412 NH1 ARG A 25 38.339 -21.018 8.560 1.00 21.23 N ATOM 413 NH2 ARG A 25 39.439 -19.442 7.306 1.00 21.23 N ATOM 0 H ARG A 25 33.444 -21.301 7.600 1.00 33.11 H new ATOM 0 HA ARG A 25 34.757 -19.577 7.114 1.00 5.42 H new ATOM 0 HB2 ARG A 25 34.469 -20.165 4.156 1.00 52.34 H new ATOM 0 HB3 ARG A 25 35.819 -19.417 4.986 1.00 52.34 H new ATOM 0 HG2 ARG A 25 34.975 -22.327 5.245 1.00 22.12 H new ATOM 0 HG3 ARG A 25 36.329 -21.734 4.303 1.00 22.12 H new ATOM 0 HD2 ARG A 25 36.015 -21.462 7.320 1.00 35.24 H new ATOM 0 HD3 ARG A 25 37.055 -22.612 6.503 1.00 35.24 H new ATOM 0 HE ARG A 25 37.831 -20.098 5.525 1.00 30.42 H new ATOM 0 HH11 ARG A 25 37.610 -21.725 8.650 1.00 21.23 H new ATOM 0 HH12 ARG A 25 38.954 -20.816 9.349 1.00 21.23 H new ATOM 0 HH21 ARG A 25 39.557 -18.935 6.429 1.00 21.23 H new ATOM 0 HH22 ARG A 25 40.052 -19.243 8.097 1.00 21.23 H new ATOM 427 N LEU A 26 31.972 -18.771 6.250 1.00 42.00 N ATOM 428 CA LEU A 26 31.013 -17.709 5.968 1.00 1.50 C ATOM 429 C LEU A 26 30.983 -16.688 7.101 1.00 54.30 C ATOM 430 O LEU A 26 31.264 -17.015 8.255 1.00 55.14 O ATOM 431 CB LEU A 26 29.617 -18.297 5.759 1.00 72.21 C ATOM 432 CG LEU A 26 29.123 -18.355 4.313 1.00 35.41 C ATOM 433 CD1 LEU A 26 27.963 -19.331 4.184 1.00 21.02 C ATOM 434 CD2 LEU A 26 28.713 -16.971 3.834 1.00 55.45 C ATOM 0 H LEU A 26 31.576 -19.580 6.729 1.00 42.00 H new ATOM 0 HA LEU A 26 31.327 -17.203 5.055 1.00 1.50 H new ATOM 0 HB2 LEU A 26 29.606 -19.308 6.167 1.00 72.21 H new ATOM 0 HB3 LEU A 26 28.907 -17.710 6.341 1.00 72.21 H new ATOM 0 HG LEU A 26 29.940 -18.708 3.684 1.00 35.41 H new ATOM 0 HD11 LEU A 26 27.625 -19.359 3.148 1.00 21.02 H new ATOM 0 HD12 LEU A 26 28.289 -20.326 4.486 1.00 21.02 H new ATOM 0 HD13 LEU A 26 27.143 -19.008 4.825 1.00 21.02 H new ATOM 0 HD21 LEU A 26 28.364 -17.031 2.803 1.00 55.45 H new ATOM 0 HD22 LEU A 26 27.911 -16.590 4.467 1.00 55.45 H new ATOM 0 HD23 LEU A 26 29.569 -16.299 3.889 1.00 55.45 H new ATOM 446 N THR A 27 30.637 -15.448 6.765 1.00 24.52 N ATOM 447 CA THR A 27 30.569 -14.380 7.754 1.00 53.23 C ATOM 448 C THR A 27 29.342 -13.503 7.531 1.00 33.12 C ATOM 449 O THR A 27 28.787 -13.461 6.432 1.00 1.21 O ATOM 450 CB THR A 27 31.830 -13.497 7.715 1.00 43.20 C ATOM 451 OG1 THR A 27 33.000 -14.318 7.624 1.00 1.42 O ATOM 452 CG2 THR A 27 31.915 -12.620 8.955 1.00 41.41 C ATOM 0 H THR A 27 30.400 -15.160 5.816 1.00 24.52 H new ATOM 0 HA THR A 27 30.499 -14.858 8.731 1.00 53.23 H new ATOM 0 HB THR A 27 31.769 -12.853 6.838 1.00 43.20 H new ATOM 0 HG1 THR A 27 33.798 -13.749 7.598 1.00 1.42 H new ATOM 0 HG21 THR A 27 32.814 -12.005 8.905 1.00 41.41 H new ATOM 0 HG22 THR A 27 31.037 -11.976 9.006 1.00 41.41 H new ATOM 0 HG23 THR A 27 31.955 -13.250 9.844 1.00 41.41 H new ATOM 460 N LEU A 28 28.922 -12.804 8.580 1.00 41.32 N ATOM 461 CA LEU A 28 27.760 -11.926 8.499 1.00 73.04 C ATOM 462 C LEU A 28 27.855 -11.008 7.285 1.00 53.54 C ATOM 463 O LEU A 28 26.877 -10.814 6.563 1.00 14.04 O ATOM 464 CB LEU A 28 27.636 -11.092 9.775 1.00 73.01 C ATOM 465 CG LEU A 28 26.318 -11.226 10.539 1.00 60.20 C ATOM 466 CD1 LEU A 28 26.577 -11.630 11.982 1.00 14.43 C ATOM 467 CD2 LEU A 28 25.532 -9.924 10.480 1.00 63.32 C ATOM 0 H LEU A 28 29.369 -12.828 9.497 1.00 41.32 H new ATOM 0 HA LEU A 28 26.872 -12.549 8.392 1.00 73.04 H new ATOM 0 HB2 LEU A 28 28.451 -11.366 10.445 1.00 73.01 H new ATOM 0 HB3 LEU A 28 27.777 -10.043 9.515 1.00 73.01 H new ATOM 0 HG LEU A 28 25.723 -12.007 10.066 1.00 60.20 H new ATOM 0 HD11 LEU A 28 25.628 -11.721 12.510 1.00 14.43 H new ATOM 0 HD12 LEU A 28 27.097 -12.587 12.004 1.00 14.43 H new ATOM 0 HD13 LEU A 28 27.192 -10.872 12.467 1.00 14.43 H new ATOM 0 HD21 LEU A 28 24.597 -10.038 11.029 1.00 63.32 H new ATOM 0 HD22 LEU A 28 26.120 -9.123 10.928 1.00 63.32 H new ATOM 0 HD23 LEU A 28 25.315 -9.677 9.441 1.00 63.32 H new ATOM 479 N GLU A 29 29.040 -10.446 7.065 1.00 74.34 N ATOM 480 CA GLU A 29 29.262 -9.549 5.937 1.00 74.45 C ATOM 481 C GLU A 29 28.950 -10.248 4.616 1.00 30.33 C ATOM 482 O GLU A 29 28.375 -9.651 3.707 1.00 72.33 O ATOM 483 CB GLU A 29 30.707 -9.048 5.932 1.00 63.01 C ATOM 484 CG GLU A 29 31.023 -8.111 4.778 1.00 12.02 C ATOM 485 CD GLU A 29 31.420 -6.724 5.245 1.00 64.10 C ATOM 486 OE1 GLU A 29 30.811 -6.226 6.215 1.00 61.54 O ATOM 487 OE2 GLU A 29 32.342 -6.137 4.640 1.00 12.30 O ATOM 0 H GLU A 29 29.860 -10.596 7.653 1.00 74.34 H new ATOM 0 HA GLU A 29 28.590 -8.698 6.045 1.00 74.45 H new ATOM 0 HB2 GLU A 29 30.907 -8.534 6.872 1.00 63.01 H new ATOM 0 HB3 GLU A 29 31.379 -9.905 5.888 1.00 63.01 H new ATOM 0 HG2 GLU A 29 31.831 -8.535 4.182 1.00 12.02 H new ATOM 0 HG3 GLU A 29 30.152 -8.036 4.127 1.00 12.02 H new ATOM 494 N MET A 30 29.335 -11.517 4.520 1.00 52.33 N ATOM 495 CA MET A 30 29.096 -12.297 3.311 1.00 21.44 C ATOM 496 C MET A 30 27.601 -12.438 3.041 1.00 4.22 C ATOM 497 O MET A 30 27.141 -12.224 1.920 1.00 63.20 O ATOM 498 CB MET A 30 29.735 -13.682 3.438 1.00 4.51 C ATOM 499 CG MET A 30 31.147 -13.649 4.000 1.00 24.52 C ATOM 500 SD MET A 30 32.235 -12.542 3.083 1.00 1.21 S ATOM 501 CE MET A 30 33.839 -13.079 3.671 1.00 64.43 C ATOM 0 H MET A 30 29.813 -12.026 5.264 1.00 52.33 H new ATOM 0 HA MET A 30 29.551 -11.769 2.473 1.00 21.44 H new ATOM 0 HB2 MET A 30 29.111 -14.304 4.080 1.00 4.51 H new ATOM 0 HB3 MET A 30 29.754 -14.156 2.457 1.00 4.51 H new ATOM 0 HG2 MET A 30 31.111 -13.335 5.043 1.00 24.52 H new ATOM 0 HG3 MET A 30 31.563 -14.656 3.985 1.00 24.52 H new ATOM 0 HE1 MET A 30 34.619 -12.486 3.193 1.00 64.43 H new ATOM 0 HE2 MET A 30 33.893 -12.947 4.752 1.00 64.43 H new ATOM 0 HE3 MET A 30 33.982 -14.132 3.427 1.00 64.43 H new ATOM 511 N MET A 31 26.849 -12.798 4.076 1.00 71.34 N ATOM 512 CA MET A 31 25.406 -12.966 3.949 1.00 72.02 C ATOM 513 C MET A 31 24.708 -11.613 3.843 1.00 25.53 C ATOM 514 O MET A 31 23.686 -11.483 3.172 1.00 41.24 O ATOM 515 CB MET A 31 24.854 -13.745 5.144 1.00 24.42 C ATOM 516 CG MET A 31 25.278 -15.205 5.166 1.00 70.12 C ATOM 517 SD MET A 31 24.148 -16.242 6.113 1.00 32.43 S ATOM 518 CE MET A 31 25.290 -17.425 6.825 1.00 54.12 C ATOM 0 H MET A 31 27.214 -12.979 5.011 1.00 71.34 H new ATOM 0 HA MET A 31 25.210 -13.529 3.036 1.00 72.02 H new ATOM 0 HB2 MET A 31 25.186 -13.265 6.065 1.00 24.42 H new ATOM 0 HB3 MET A 31 23.765 -13.691 5.131 1.00 24.42 H new ATOM 0 HG2 MET A 31 25.336 -15.578 4.143 1.00 70.12 H new ATOM 0 HG3 MET A 31 26.279 -15.282 5.591 1.00 70.12 H new ATOM 0 HE1 MET A 31 25.163 -18.392 6.338 1.00 54.12 H new ATOM 0 HE2 MET A 31 26.313 -17.077 6.679 1.00 54.12 H new ATOM 0 HE3 MET A 31 25.090 -17.527 7.892 1.00 54.12 H new ATOM 528 N ASN A 32 25.268 -10.610 4.511 1.00 24.35 N ATOM 529 CA ASN A 32 24.699 -9.268 4.493 1.00 1.31 C ATOM 530 C ASN A 32 24.612 -8.733 3.067 1.00 72.43 C ATOM 531 O ASN A 32 23.606 -8.142 2.676 1.00 71.10 O ATOM 532 CB ASN A 32 25.541 -8.323 5.353 1.00 53.50 C ATOM 533 CG ASN A 32 24.988 -6.910 5.370 1.00 22.32 C ATOM 534 OD1 ASN A 32 25.293 -6.102 4.493 1.00 74.11 O ATOM 535 ND2 ASN A 32 24.171 -6.607 6.372 1.00 4.13 N ATOM 0 H ASN A 32 26.115 -10.701 5.071 1.00 24.35 H new ATOM 0 HA ASN A 32 23.691 -9.322 4.904 1.00 1.31 H new ATOM 0 HB2 ASN A 32 25.584 -8.706 6.373 1.00 53.50 H new ATOM 0 HB3 ASN A 32 26.563 -8.306 4.975 1.00 53.50 H new ATOM 0 HD21 ASN A 32 23.768 -5.672 6.437 1.00 4.13 H new ATOM 0 HD22 ASN A 32 23.946 -7.309 7.077 1.00 4.13 H new ATOM 542 N GLU A 33 25.673 -8.947 2.294 1.00 13.15 N ATOM 543 CA GLU A 33 25.715 -8.486 0.912 1.00 61.44 C ATOM 544 C GLU A 33 24.929 -9.425 0.001 1.00 30.31 C ATOM 545 O GLU A 33 24.394 -9.007 -1.026 1.00 13.32 O ATOM 546 CB GLU A 33 27.164 -8.384 0.429 1.00 74.40 C ATOM 547 CG GLU A 33 27.936 -9.688 0.542 1.00 72.14 C ATOM 548 CD GLU A 33 29.422 -9.509 0.300 1.00 0.50 C ATOM 549 OE1 GLU A 33 29.806 -9.227 -0.854 1.00 44.21 O ATOM 550 OE2 GLU A 33 30.201 -9.650 1.266 1.00 13.43 O ATOM 0 H GLU A 33 26.514 -9.436 2.602 1.00 13.15 H new ATOM 0 HA GLU A 33 25.255 -7.499 0.871 1.00 61.44 H new ATOM 0 HB2 GLU A 33 27.169 -8.057 -0.611 1.00 74.40 H new ATOM 0 HB3 GLU A 33 27.678 -7.616 1.007 1.00 74.40 H new ATOM 0 HG2 GLU A 33 27.782 -10.112 1.534 1.00 72.14 H new ATOM 0 HG3 GLU A 33 27.538 -10.405 -0.177 1.00 72.14 H new ATOM 557 N ILE A 34 24.865 -10.696 0.385 1.00 51.31 N ATOM 558 CA ILE A 34 24.144 -11.694 -0.396 1.00 4.31 C ATOM 559 C ILE A 34 22.637 -11.484 -0.299 1.00 21.55 C ATOM 560 O ILE A 34 21.927 -11.529 -1.303 1.00 70.22 O ATOM 561 CB ILE A 34 24.484 -13.123 0.067 1.00 50.14 C ATOM 562 CG1 ILE A 34 25.909 -13.492 -0.351 1.00 31.35 C ATOM 563 CG2 ILE A 34 23.484 -14.116 -0.506 1.00 62.40 C ATOM 564 CD1 ILE A 34 26.505 -14.618 0.465 1.00 32.05 C ATOM 0 H ILE A 34 25.303 -11.059 1.232 1.00 51.31 H new ATOM 0 HA ILE A 34 24.459 -11.572 -1.432 1.00 4.31 H new ATOM 0 HB ILE A 34 24.423 -13.162 1.155 1.00 50.14 H new ATOM 0 HG12 ILE A 34 25.908 -13.777 -1.403 1.00 31.35 H new ATOM 0 HG13 ILE A 34 26.545 -12.612 -0.260 1.00 31.35 H new ATOM 0 HG21 ILE A 34 23.737 -15.122 -0.170 1.00 62.40 H new ATOM 0 HG22 ILE A 34 22.481 -13.861 -0.164 1.00 62.40 H new ATOM 0 HG23 ILE A 34 23.517 -14.078 -1.595 1.00 62.40 H new ATOM 0 HD11 ILE A 34 27.516 -14.826 0.114 1.00 32.05 H new ATOM 0 HD12 ILE A 34 26.538 -14.328 1.515 1.00 32.05 H new ATOM 0 HD13 ILE A 34 25.891 -15.512 0.354 1.00 32.05 H new ATOM 576 N VAL A 35 22.154 -11.254 0.918 1.00 24.14 N ATOM 577 CA VAL A 35 20.731 -11.035 1.148 1.00 44.44 C ATOM 578 C VAL A 35 20.304 -9.652 0.668 1.00 4.21 C ATOM 579 O VAL A 35 19.154 -9.446 0.281 1.00 44.52 O ATOM 580 CB VAL A 35 20.374 -11.182 2.638 1.00 33.14 C ATOM 581 CG1 VAL A 35 18.865 -11.155 2.831 1.00 61.41 C ATOM 582 CG2 VAL A 35 20.969 -12.462 3.205 1.00 61.23 C ATOM 0 H VAL A 35 22.728 -11.215 1.760 1.00 24.14 H new ATOM 0 HA VAL A 35 20.197 -11.796 0.578 1.00 44.44 H new ATOM 0 HB VAL A 35 20.801 -10.339 3.181 1.00 33.14 H new ATOM 0 HG11 VAL A 35 18.632 -11.260 3.891 1.00 61.41 H new ATOM 0 HG12 VAL A 35 18.468 -10.208 2.464 1.00 61.41 H new ATOM 0 HG13 VAL A 35 18.413 -11.977 2.277 1.00 61.41 H new ATOM 0 HG21 VAL A 35 20.706 -12.549 4.259 1.00 61.23 H new ATOM 0 HG22 VAL A 35 20.574 -13.319 2.660 1.00 61.23 H new ATOM 0 HG23 VAL A 35 22.054 -12.436 3.102 1.00 61.23 H new ATOM 592 N SER A 36 21.239 -8.707 0.697 1.00 51.05 N ATOM 593 CA SER A 36 20.959 -7.342 0.268 1.00 52.32 C ATOM 594 C SER A 36 20.846 -7.262 -1.252 1.00 13.24 C ATOM 595 O SER A 36 19.941 -6.620 -1.786 1.00 44.21 O ATOM 596 CB SER A 36 22.056 -6.395 0.759 1.00 34.13 C ATOM 597 OG SER A 36 22.231 -5.310 -0.135 1.00 1.22 O ATOM 0 H SER A 36 22.196 -8.862 1.013 1.00 51.05 H new ATOM 0 HA SER A 36 20.006 -7.040 0.703 1.00 52.32 H new ATOM 0 HB2 SER A 36 21.798 -6.017 1.748 1.00 34.13 H new ATOM 0 HB3 SER A 36 22.994 -6.941 0.861 1.00 34.13 H new ATOM 0 HG SER A 36 22.936 -4.719 0.202 1.00 1.22 H new ATOM 603 N LYS A 37 21.771 -7.919 -1.943 1.00 10.03 N ATOM 604 CA LYS A 37 21.777 -7.925 -3.401 1.00 30.23 C ATOM 605 C LYS A 37 20.583 -8.702 -3.946 1.00 51.34 C ATOM 606 O LYS A 37 19.869 -8.223 -4.827 1.00 45.33 O ATOM 607 CB LYS A 37 23.079 -8.537 -3.923 1.00 73.13 C ATOM 608 CG LYS A 37 24.061 -7.510 -4.461 1.00 34.42 C ATOM 609 CD LYS A 37 24.830 -6.834 -3.339 1.00 22.13 C ATOM 610 CE LYS A 37 26.013 -6.041 -3.873 1.00 60.12 C ATOM 611 NZ LYS A 37 26.535 -5.077 -2.866 1.00 10.33 N ATOM 0 H LYS A 37 22.527 -8.455 -1.516 1.00 10.03 H new ATOM 0 HA LYS A 37 21.704 -6.893 -3.745 1.00 30.23 H new ATOM 0 HB2 LYS A 37 23.556 -9.097 -3.118 1.00 73.13 H new ATOM 0 HB3 LYS A 37 22.844 -9.251 -4.712 1.00 73.13 H new ATOM 0 HG2 LYS A 37 24.760 -7.995 -5.142 1.00 34.42 H new ATOM 0 HG3 LYS A 37 23.523 -6.759 -5.039 1.00 34.42 H new ATOM 0 HD2 LYS A 37 24.164 -6.170 -2.789 1.00 22.13 H new ATOM 0 HD3 LYS A 37 25.183 -7.586 -2.634 1.00 22.13 H new ATOM 0 HE2 LYS A 37 26.808 -6.727 -4.165 1.00 60.12 H new ATOM 0 HE3 LYS A 37 25.712 -5.501 -4.771 1.00 60.12 H new ATOM 0 HZ1 LYS A 37 27.340 -4.556 -3.269 1.00 10.33 H new ATOM 0 HZ2 LYS A 37 25.784 -4.406 -2.606 1.00 10.33 H new ATOM 0 HZ3 LYS A 37 26.846 -5.594 -2.019 1.00 10.33 H new ATOM 625 N MET A 38 20.371 -9.902 -3.416 1.00 51.23 N ATOM 626 CA MET A 38 19.261 -10.743 -3.849 1.00 40.11 C ATOM 627 C MET A 38 17.929 -10.024 -3.662 1.00 51.43 C ATOM 628 O MET A 38 17.035 -10.124 -4.503 1.00 44.14 O ATOM 629 CB MET A 38 19.257 -12.059 -3.070 1.00 33.50 C ATOM 630 CG MET A 38 18.664 -11.938 -1.675 1.00 62.44 C ATOM 631 SD MET A 38 18.581 -13.521 -0.816 1.00 71.42 S ATOM 632 CE MET A 38 20.287 -14.055 -0.923 1.00 4.20 C ATOM 0 H MET A 38 20.953 -10.314 -2.686 1.00 51.23 H new ATOM 0 HA MET A 38 19.392 -10.957 -4.910 1.00 40.11 H new ATOM 0 HB2 MET A 38 18.693 -12.803 -3.632 1.00 33.50 H new ATOM 0 HB3 MET A 38 20.280 -12.428 -2.990 1.00 33.50 H new ATOM 0 HG2 MET A 38 19.264 -11.242 -1.089 1.00 62.44 H new ATOM 0 HG3 MET A 38 17.662 -11.514 -1.746 1.00 62.44 H new ATOM 0 HE1 MET A 38 20.321 -15.114 -1.178 1.00 4.20 H new ATOM 0 HE2 MET A 38 20.801 -13.479 -1.693 1.00 4.20 H new ATOM 0 HE3 MET A 38 20.779 -13.897 0.037 1.00 4.20 H new ATOM 642 N ASP A 39 17.803 -9.299 -2.556 1.00 32.52 N ATOM 643 CA ASP A 39 16.580 -8.563 -2.259 1.00 54.24 C ATOM 644 C ASP A 39 16.398 -7.399 -3.229 1.00 12.04 C ATOM 645 O ASP A 39 15.273 -7.008 -3.540 1.00 52.24 O ATOM 646 CB ASP A 39 16.607 -8.045 -0.820 1.00 51.05 C ATOM 647 CG ASP A 39 15.232 -7.645 -0.323 1.00 33.31 C ATOM 648 OD1 ASP A 39 14.233 -8.028 -0.968 1.00 25.22 O ATOM 649 OD2 ASP A 39 15.154 -6.949 0.711 1.00 53.20 O ATOM 0 H ASP A 39 18.533 -9.205 -1.850 1.00 32.52 H new ATOM 0 HA ASP A 39 15.737 -9.245 -2.375 1.00 54.24 H new ATOM 0 HB2 ASP A 39 17.016 -8.816 -0.167 1.00 51.05 H new ATOM 0 HB3 ASP A 39 17.276 -7.187 -0.758 1.00 51.05 H new ATOM 654 N ASP A 40 17.511 -6.849 -3.701 1.00 23.53 N ATOM 655 CA ASP A 40 17.475 -5.730 -4.635 1.00 22.04 C ATOM 656 C ASP A 40 16.860 -6.152 -5.965 1.00 64.24 C ATOM 657 O ASP A 40 15.879 -5.565 -6.422 1.00 63.10 O ATOM 658 CB ASP A 40 18.885 -5.181 -4.861 1.00 32.40 C ATOM 659 CG ASP A 40 18.897 -3.983 -5.790 1.00 24.14 C ATOM 660 OD1 ASP A 40 18.525 -2.880 -5.339 1.00 12.10 O ATOM 661 OD2 ASP A 40 19.279 -4.149 -6.967 1.00 51.34 O ATOM 0 H ASP A 40 18.450 -7.160 -3.452 1.00 23.53 H new ATOM 0 HA ASP A 40 16.854 -4.946 -4.201 1.00 22.04 H new ATOM 0 HB2 ASP A 40 19.320 -4.898 -3.902 1.00 32.40 H new ATOM 0 HB3 ASP A 40 19.515 -5.967 -5.278 1.00 32.40 H new ATOM 666 N PHE A 41 17.444 -7.173 -6.584 1.00 25.33 N ATOM 667 CA PHE A 41 16.956 -7.673 -7.863 1.00 54.05 C ATOM 668 C PHE A 41 15.505 -8.131 -7.750 1.00 35.10 C ATOM 669 O PHE A 41 14.665 -7.785 -8.582 1.00 41.13 O ATOM 670 CB PHE A 41 17.831 -8.829 -8.351 1.00 74.44 C ATOM 671 CG PHE A 41 17.615 -9.175 -9.797 1.00 64.41 C ATOM 672 CD1 PHE A 41 17.332 -8.186 -10.725 1.00 72.20 C ATOM 673 CD2 PHE A 41 17.697 -10.490 -10.228 1.00 41.42 C ATOM 674 CE1 PHE A 41 17.132 -8.502 -12.056 1.00 25.14 C ATOM 675 CE2 PHE A 41 17.499 -10.812 -11.558 1.00 2.52 C ATOM 676 CZ PHE A 41 17.217 -9.816 -12.473 1.00 25.12 C ATOM 0 H PHE A 41 18.257 -7.670 -6.220 1.00 25.33 H new ATOM 0 HA PHE A 41 17.006 -6.859 -8.586 1.00 54.05 H new ATOM 0 HB2 PHE A 41 18.879 -8.570 -8.200 1.00 74.44 H new ATOM 0 HB3 PHE A 41 17.629 -9.709 -7.741 1.00 74.44 H new ATOM 0 HD1 PHE A 41 17.267 -7.157 -10.405 1.00 72.20 H new ATOM 0 HD2 PHE A 41 17.918 -11.272 -9.517 1.00 41.42 H new ATOM 0 HE1 PHE A 41 16.909 -7.722 -12.769 1.00 25.14 H new ATOM 0 HE2 PHE A 41 17.565 -11.840 -11.881 1.00 2.52 H new ATOM 0 HZ PHE A 41 17.063 -10.064 -13.513 1.00 25.12 H new ATOM 686 N LEU A 42 15.216 -8.912 -6.715 1.00 24.22 N ATOM 687 CA LEU A 42 13.867 -9.419 -6.491 1.00 60.31 C ATOM 688 C LEU A 42 12.889 -8.275 -6.243 1.00 24.13 C ATOM 689 O LEU A 42 11.743 -8.318 -6.687 1.00 73.03 O ATOM 690 CB LEU A 42 13.854 -10.384 -5.304 1.00 14.53 C ATOM 691 CG LEU A 42 13.110 -11.702 -5.518 1.00 62.43 C ATOM 692 CD1 LEU A 42 11.611 -11.462 -5.605 1.00 61.12 C ATOM 693 CD2 LEU A 42 13.614 -12.400 -6.773 1.00 70.51 C ATOM 0 H LEU A 42 15.898 -9.208 -6.017 1.00 24.22 H new ATOM 0 HA LEU A 42 13.552 -9.952 -7.388 1.00 60.31 H new ATOM 0 HB2 LEU A 42 14.886 -10.612 -5.036 1.00 14.53 H new ATOM 0 HB3 LEU A 42 13.408 -9.873 -4.451 1.00 14.53 H new ATOM 0 HG LEU A 42 13.304 -12.349 -4.663 1.00 62.43 H new ATOM 0 HD11 LEU A 42 11.099 -12.412 -5.757 1.00 61.12 H new ATOM 0 HD12 LEU A 42 11.261 -11.006 -4.679 1.00 61.12 H new ATOM 0 HD13 LEU A 42 11.397 -10.796 -6.441 1.00 61.12 H new ATOM 0 HD21 LEU A 42 13.074 -13.337 -6.910 1.00 70.51 H new ATOM 0 HD22 LEU A 42 13.451 -11.757 -7.638 1.00 70.51 H new ATOM 0 HD23 LEU A 42 14.679 -12.607 -6.671 1.00 70.51 H new ATOM 705 N MET A 43 13.352 -7.252 -5.532 1.00 22.24 N ATOM 706 CA MET A 43 12.519 -6.094 -5.227 1.00 62.54 C ATOM 707 C MET A 43 12.066 -5.400 -6.507 1.00 54.33 C ATOM 708 O MET A 43 10.938 -4.914 -6.596 1.00 53.02 O ATOM 709 CB MET A 43 13.283 -5.109 -4.341 1.00 51.42 C ATOM 710 CG MET A 43 12.499 -3.846 -4.022 1.00 3.14 C ATOM 711 SD MET A 43 10.917 -4.192 -3.230 1.00 32.22 S ATOM 712 CE MET A 43 10.370 -2.535 -2.826 1.00 41.05 C ATOM 0 H MET A 43 14.299 -7.201 -5.156 1.00 22.24 H new ATOM 0 HA MET A 43 11.636 -6.443 -4.691 1.00 62.54 H new ATOM 0 HB2 MET A 43 13.553 -5.605 -3.409 1.00 51.42 H new ATOM 0 HB3 MET A 43 14.214 -4.834 -4.836 1.00 51.42 H new ATOM 0 HG2 MET A 43 13.095 -3.208 -3.370 1.00 3.14 H new ATOM 0 HG3 MET A 43 12.326 -3.288 -4.942 1.00 3.14 H new ATOM 0 HE1 MET A 43 10.018 -2.509 -1.795 1.00 41.05 H new ATOM 0 HE2 MET A 43 11.200 -1.839 -2.944 1.00 41.05 H new ATOM 0 HE3 MET A 43 9.558 -2.247 -3.494 1.00 41.05 H new ATOM 722 N LYS A 44 12.951 -5.356 -7.497 1.00 1.51 N ATOM 723 CA LYS A 44 12.642 -4.721 -8.773 1.00 22.21 C ATOM 724 C LYS A 44 11.633 -5.549 -9.562 1.00 64.42 C ATOM 725 O LYS A 44 10.751 -5.005 -10.226 1.00 11.31 O ATOM 726 CB LYS A 44 13.919 -4.534 -9.595 1.00 62.33 C ATOM 727 CG LYS A 44 14.051 -5.517 -10.746 1.00 11.10 C ATOM 728 CD LYS A 44 15.372 -5.346 -11.477 1.00 23.45 C ATOM 729 CE LYS A 44 15.187 -4.624 -12.802 1.00 61.44 C ATOM 730 NZ LYS A 44 16.491 -4.262 -13.423 1.00 41.53 N ATOM 0 H LYS A 44 13.889 -5.753 -7.440 1.00 1.51 H new ATOM 0 HA LYS A 44 12.203 -3.745 -8.568 1.00 22.21 H new ATOM 0 HB2 LYS A 44 13.941 -3.519 -9.991 1.00 62.33 H new ATOM 0 HB3 LYS A 44 14.783 -4.639 -8.938 1.00 62.33 H new ATOM 0 HG2 LYS A 44 13.974 -6.536 -10.366 1.00 11.10 H new ATOM 0 HG3 LYS A 44 13.226 -5.374 -11.444 1.00 11.10 H new ATOM 0 HD2 LYS A 44 16.066 -4.786 -10.850 1.00 23.45 H new ATOM 0 HD3 LYS A 44 15.820 -6.324 -11.654 1.00 23.45 H new ATOM 0 HE2 LYS A 44 14.623 -5.258 -13.486 1.00 61.44 H new ATOM 0 HE3 LYS A 44 14.597 -3.721 -12.644 1.00 61.44 H new ATOM 0 HZ1 LYS A 44 16.323 -3.698 -14.280 1.00 41.53 H new ATOM 0 HZ2 LYS A 44 17.054 -3.706 -12.748 1.00 41.53 H new ATOM 0 HZ3 LYS A 44 17.008 -5.129 -13.675 1.00 41.53 H new ATOM 744 N LYS A 45 11.768 -6.869 -9.485 1.00 5.12 N ATOM 745 CA LYS A 45 10.868 -7.773 -10.189 1.00 75.42 C ATOM 746 C LYS A 45 9.430 -7.587 -9.715 1.00 74.34 C ATOM 747 O LYS A 45 8.525 -7.363 -10.520 1.00 21.42 O ATOM 748 CB LYS A 45 11.302 -9.226 -9.978 1.00 15.43 C ATOM 749 CG LYS A 45 10.269 -10.242 -10.435 1.00 0.34 C ATOM 750 CD LYS A 45 10.065 -10.191 -11.939 1.00 54.14 C ATOM 751 CE LYS A 45 9.305 -11.410 -12.440 1.00 64.12 C ATOM 752 NZ LYS A 45 8.801 -11.218 -13.828 1.00 62.01 N ATOM 0 H LYS A 45 12.493 -7.336 -8.941 1.00 5.12 H new ATOM 0 HA LYS A 45 10.915 -7.537 -11.252 1.00 75.42 H new ATOM 0 HB2 LYS A 45 12.233 -9.400 -10.517 1.00 15.43 H new ATOM 0 HB3 LYS A 45 11.511 -9.384 -8.920 1.00 15.43 H new ATOM 0 HG2 LYS A 45 10.588 -11.243 -10.144 1.00 0.34 H new ATOM 0 HG3 LYS A 45 9.321 -10.050 -9.932 1.00 0.34 H new ATOM 0 HD2 LYS A 45 9.518 -9.286 -12.203 1.00 54.14 H new ATOM 0 HD3 LYS A 45 11.033 -10.134 -12.437 1.00 54.14 H new ATOM 0 HE2 LYS A 45 9.957 -12.283 -12.408 1.00 64.12 H new ATOM 0 HE3 LYS A 45 8.466 -11.614 -11.774 1.00 64.12 H new ATOM 0 HZ1 LYS A 45 7.994 -11.853 -13.995 1.00 62.01 H new ATOM 0 HZ2 LYS A 45 8.497 -10.231 -13.954 1.00 62.01 H new ATOM 0 HZ3 LYS A 45 9.559 -11.435 -14.506 1.00 62.01 H new ATOM 766 N SER A 46 9.226 -7.680 -8.405 1.00 64.11 N ATOM 767 CA SER A 46 7.898 -7.524 -7.825 1.00 32.12 C ATOM 768 C SER A 46 7.342 -6.131 -8.106 1.00 24.24 C ATOM 769 O SER A 46 6.130 -5.941 -8.201 1.00 13.45 O ATOM 770 CB SER A 46 7.945 -7.772 -6.316 1.00 31.12 C ATOM 771 OG SER A 46 8.727 -6.788 -5.662 1.00 24.34 O ATOM 0 H SER A 46 9.964 -7.863 -7.725 1.00 64.11 H new ATOM 0 HA SER A 46 7.239 -8.259 -8.287 1.00 32.12 H new ATOM 0 HB2 SER A 46 6.933 -7.765 -5.911 1.00 31.12 H new ATOM 0 HB3 SER A 46 8.360 -8.761 -6.119 1.00 31.12 H new ATOM 0 HG SER A 46 9.339 -6.375 -6.307 1.00 24.34 H new ATOM 777 N LYS A 47 8.239 -5.159 -8.238 1.00 32.44 N ATOM 778 CA LYS A 47 7.841 -3.783 -8.509 1.00 4.11 C ATOM 779 C LYS A 47 7.332 -3.636 -9.939 1.00 14.41 C ATOM 780 O LYS A 47 6.495 -2.778 -10.224 1.00 32.31 O ATOM 781 CB LYS A 47 9.020 -2.835 -8.276 1.00 50.11 C ATOM 782 CG LYS A 47 9.553 -2.202 -9.550 1.00 74.31 C ATOM 783 CD LYS A 47 8.726 -0.995 -9.961 1.00 71.53 C ATOM 784 CE LYS A 47 9.595 0.240 -10.142 1.00 73.23 C ATOM 785 NZ LYS A 47 10.600 0.057 -11.225 1.00 63.33 N ATOM 0 H LYS A 47 9.246 -5.299 -8.162 1.00 32.44 H new ATOM 0 HA LYS A 47 7.033 -3.523 -7.826 1.00 4.11 H new ATOM 0 HB2 LYS A 47 8.711 -2.046 -7.590 1.00 50.11 H new ATOM 0 HB3 LYS A 47 9.826 -3.384 -7.788 1.00 50.11 H new ATOM 0 HG2 LYS A 47 10.590 -1.900 -9.401 1.00 74.31 H new ATOM 0 HG3 LYS A 47 9.547 -2.939 -10.353 1.00 74.31 H new ATOM 0 HD2 LYS A 47 8.201 -1.212 -10.892 1.00 71.53 H new ATOM 0 HD3 LYS A 47 7.966 -0.799 -9.205 1.00 71.53 H new ATOM 0 HE2 LYS A 47 8.963 1.098 -10.374 1.00 73.23 H new ATOM 0 HE3 LYS A 47 10.107 0.464 -9.206 1.00 73.23 H new ATOM 0 HZ1 LYS A 47 10.958 0.986 -11.527 1.00 63.33 H new ATOM 0 HZ2 LYS A 47 11.390 -0.521 -10.872 1.00 63.33 H new ATOM 0 HZ3 LYS A 47 10.155 -0.422 -12.034 1.00 63.33 H new ATOM 799 N ILE A 48 7.840 -4.477 -10.833 1.00 12.20 N ATOM 800 CA ILE A 48 7.433 -4.441 -12.232 1.00 42.03 C ATOM 801 C ILE A 48 6.094 -5.143 -12.434 1.00 5.31 C ATOM 802 O ILE A 48 5.306 -4.762 -13.300 1.00 14.00 O ATOM 803 CB ILE A 48 8.487 -5.099 -13.142 1.00 23.41 C ATOM 804 CG1 ILE A 48 9.667 -4.150 -13.362 1.00 21.31 C ATOM 805 CG2 ILE A 48 7.865 -5.497 -14.472 1.00 41.10 C ATOM 806 CD1 ILE A 48 11.008 -4.765 -13.026 1.00 71.25 C ATOM 0 H ILE A 48 8.534 -5.192 -10.614 1.00 12.20 H new ATOM 0 HA ILE A 48 7.334 -3.390 -12.505 1.00 42.03 H new ATOM 0 HB ILE A 48 8.856 -6.000 -12.652 1.00 23.41 H new ATOM 0 HG12 ILE A 48 9.675 -3.828 -14.403 1.00 21.31 H new ATOM 0 HG13 ILE A 48 9.523 -3.257 -12.753 1.00 21.31 H new ATOM 0 HG21 ILE A 48 8.623 -5.961 -15.104 1.00 41.10 H new ATOM 0 HG22 ILE A 48 7.055 -6.205 -14.297 1.00 41.10 H new ATOM 0 HG23 ILE A 48 7.471 -4.611 -14.969 1.00 41.10 H new ATOM 0 HD11 ILE A 48 11.798 -4.036 -13.206 1.00 71.25 H new ATOM 0 HD12 ILE A 48 11.020 -5.062 -11.977 1.00 71.25 H new ATOM 0 HD13 ILE A 48 11.174 -5.641 -13.653 1.00 71.25 H new ATOM 818 N LEU A 49 5.843 -6.168 -11.628 1.00 22.40 N ATOM 819 CA LEU A 49 4.598 -6.923 -11.716 1.00 21.41 C ATOM 820 C LEU A 49 3.401 -6.041 -11.376 1.00 61.11 C ATOM 821 O LEU A 49 2.265 -6.356 -11.728 1.00 1.01 O ATOM 822 CB LEU A 49 4.642 -8.128 -10.774 1.00 74.24 C ATOM 823 CG LEU A 49 5.939 -8.937 -10.779 1.00 62.22 C ATOM 824 CD1 LEU A 49 5.708 -10.320 -10.190 1.00 62.11 C ATOM 825 CD2 LEU A 49 6.496 -9.043 -12.191 1.00 64.23 C ATOM 0 H LEU A 49 6.485 -6.496 -10.906 1.00 22.40 H new ATOM 0 HA LEU A 49 4.487 -7.275 -12.742 1.00 21.41 H new ATOM 0 HB2 LEU A 49 4.461 -7.777 -9.758 1.00 74.24 H new ATOM 0 HB3 LEU A 49 3.820 -8.796 -11.032 1.00 74.24 H new ATOM 0 HG LEU A 49 6.670 -8.418 -10.159 1.00 62.22 H new ATOM 0 HD11 LEU A 49 6.642 -10.881 -10.202 1.00 62.11 H new ATOM 0 HD12 LEU A 49 5.356 -10.224 -9.163 1.00 62.11 H new ATOM 0 HD13 LEU A 49 4.960 -10.847 -10.782 1.00 62.11 H new ATOM 0 HD21 LEU A 49 7.419 -9.622 -12.175 1.00 64.23 H new ATOM 0 HD22 LEU A 49 5.768 -9.538 -12.833 1.00 64.23 H new ATOM 0 HD23 LEU A 49 6.701 -8.045 -12.577 1.00 64.23 H new ATOM 837 N GLY A 50 3.665 -4.932 -10.691 1.00 31.41 N ATOM 838 CA GLY A 50 2.600 -4.020 -10.317 1.00 71.40 C ATOM 839 C GLY A 50 2.547 -2.795 -11.208 1.00 13.15 C ATOM 840 O GLY A 50 1.469 -2.272 -11.494 1.00 64.55 O ATOM 0 H GLY A 50 4.597 -4.649 -10.389 1.00 31.41 H new ATOM 0 HA2 GLY A 50 1.645 -4.542 -10.365 1.00 71.40 H new ATOM 0 HA3 GLY A 50 2.740 -3.707 -9.282 1.00 71.40 H new ATOM 844 N LYS A 51 3.713 -2.333 -11.645 1.00 51.35 N ATOM 845 CA LYS A 51 3.797 -1.160 -12.508 1.00 75.44 C ATOM 846 C LYS A 51 2.899 -1.320 -13.732 1.00 25.13 C ATOM 847 O LYS A 51 2.332 -2.388 -13.963 1.00 73.15 O ATOM 848 CB LYS A 51 5.243 -0.929 -12.950 1.00 63.14 C ATOM 849 CG LYS A 51 5.785 0.437 -12.567 1.00 65.10 C ATOM 850 CD LYS A 51 5.697 0.671 -11.068 1.00 45.23 C ATOM 851 CE LYS A 51 6.464 1.918 -10.653 1.00 61.40 C ATOM 852 NZ LYS A 51 6.787 1.912 -9.199 1.00 72.43 N ATOM 0 H LYS A 51 4.614 -2.753 -11.416 1.00 51.35 H new ATOM 0 HA LYS A 51 3.455 -0.296 -11.939 1.00 75.44 H new ATOM 0 HB2 LYS A 51 5.876 -1.699 -12.509 1.00 63.14 H new ATOM 0 HB3 LYS A 51 5.306 -1.046 -14.032 1.00 63.14 H new ATOM 0 HG2 LYS A 51 6.823 0.521 -12.889 1.00 65.10 H new ATOM 0 HG3 LYS A 51 5.225 1.212 -13.091 1.00 65.10 H new ATOM 0 HD2 LYS A 51 4.652 0.771 -10.775 1.00 45.23 H new ATOM 0 HD3 LYS A 51 6.095 -0.195 -10.539 1.00 45.23 H new ATOM 0 HE2 LYS A 51 7.386 1.986 -11.230 1.00 61.40 H new ATOM 0 HE3 LYS A 51 5.874 2.803 -10.890 1.00 61.40 H new ATOM 0 HZ1 LYS A 51 6.993 2.882 -8.885 1.00 72.43 H new ATOM 0 HZ2 LYS A 51 5.976 1.540 -8.665 1.00 72.43 H new ATOM 0 HZ3 LYS A 51 7.618 1.310 -9.030 1.00 72.43 H new ATOM 866 N THR A 52 2.777 -0.252 -14.514 1.00 14.15 N ATOM 867 CA THR A 52 1.949 -0.274 -15.713 1.00 42.21 C ATOM 868 C THR A 52 2.774 0.043 -16.955 1.00 54.45 C ATOM 869 O THR A 52 3.975 0.294 -16.867 1.00 54.43 O ATOM 870 CB THR A 52 0.786 0.731 -15.612 1.00 44.40 C ATOM 871 OG1 THR A 52 1.250 2.050 -15.925 1.00 32.31 O ATOM 872 CG2 THR A 52 0.180 0.719 -14.217 1.00 4.32 C ATOM 0 H THR A 52 3.241 0.639 -14.338 1.00 14.15 H new ATOM 0 HA THR A 52 1.541 -1.281 -15.798 1.00 42.21 H new ATOM 0 HB THR A 52 0.018 0.437 -16.327 1.00 44.40 H new ATOM 0 HG1 THR A 52 0.505 2.683 -15.860 1.00 32.31 H new ATOM 0 HG21 THR A 52 -0.639 1.437 -14.170 1.00 4.32 H new ATOM 0 HG22 THR A 52 -0.198 -0.279 -13.993 1.00 4.32 H new ATOM 0 HG23 THR A 52 0.942 0.990 -13.487 1.00 4.32 H new ATOM 880 N ASN A 53 2.120 0.031 -18.113 1.00 20.13 N ATOM 881 CA ASN A 53 2.794 0.318 -19.374 1.00 73.21 C ATOM 882 C ASN A 53 3.283 1.762 -19.413 1.00 51.42 C ATOM 883 O ASN A 53 4.176 2.106 -20.187 1.00 44.42 O ATOM 884 CB ASN A 53 1.852 0.054 -20.551 1.00 13.43 C ATOM 885 CG ASN A 53 1.525 -1.418 -20.712 1.00 3.24 C ATOM 886 OD1 ASN A 53 2.215 -2.281 -20.169 1.00 44.11 O ATOM 887 ND2 ASN A 53 0.469 -1.711 -21.461 1.00 14.24 N ATOM 0 H ASN A 53 1.125 -0.174 -18.204 1.00 20.13 H new ATOM 0 HA ASN A 53 3.658 -0.341 -19.454 1.00 73.21 H new ATOM 0 HB2 ASN A 53 0.929 0.615 -20.406 1.00 13.43 H new ATOM 0 HB3 ASN A 53 2.309 0.424 -21.469 1.00 13.43 H new ATOM 0 HD21 ASN A 53 0.201 -2.684 -21.606 1.00 14.24 H new ATOM 0 HD22 ASN A 53 -0.074 -0.963 -21.892 1.00 14.24 H new ATOM 894 N LYS A 54 2.691 2.604 -18.573 1.00 5.53 N ATOM 895 CA LYS A 54 3.067 4.012 -18.508 1.00 71.14 C ATOM 896 C LYS A 54 4.445 4.179 -17.877 1.00 3.02 C ATOM 897 O LYS A 54 5.263 4.967 -18.351 1.00 10.00 O ATOM 898 CB LYS A 54 2.029 4.802 -17.709 1.00 35.15 C ATOM 899 CG LYS A 54 0.610 4.641 -18.227 1.00 61.12 C ATOM 900 CD LYS A 54 -0.291 5.764 -17.743 1.00 54.45 C ATOM 901 CE LYS A 54 -0.758 5.529 -16.315 1.00 3.11 C ATOM 902 NZ LYS A 54 -1.462 6.717 -15.759 1.00 11.24 N ATOM 0 H LYS A 54 1.948 2.336 -17.927 1.00 5.53 H new ATOM 0 HA LYS A 54 3.104 4.399 -19.526 1.00 71.14 H new ATOM 0 HB2 LYS A 54 2.065 4.483 -16.667 1.00 35.15 H new ATOM 0 HB3 LYS A 54 2.296 5.859 -17.728 1.00 35.15 H new ATOM 0 HG2 LYS A 54 0.619 4.625 -19.317 1.00 61.12 H new ATOM 0 HG3 LYS A 54 0.208 3.683 -17.897 1.00 61.12 H new ATOM 0 HD2 LYS A 54 0.245 6.712 -17.800 1.00 54.45 H new ATOM 0 HD3 LYS A 54 -1.156 5.847 -18.401 1.00 54.45 H new ATOM 0 HE2 LYS A 54 -1.424 4.667 -16.288 1.00 3.11 H new ATOM 0 HE3 LYS A 54 0.100 5.289 -15.687 1.00 3.11 H new ATOM 0 HZ1 LYS A 54 -1.764 6.517 -14.784 1.00 11.24 H new ATOM 0 HZ2 LYS A 54 -0.819 7.534 -15.761 1.00 11.24 H new ATOM 0 HZ3 LYS A 54 -2.295 6.931 -16.343 1.00 11.24 H new ATOM 916 N GLN A 55 4.695 3.432 -16.807 1.00 23.25 N ATOM 917 CA GLN A 55 5.976 3.498 -16.112 1.00 35.34 C ATOM 918 C GLN A 55 6.980 2.529 -16.727 1.00 73.04 C ATOM 919 O GLN A 55 8.180 2.802 -16.763 1.00 3.10 O ATOM 920 CB GLN A 55 5.790 3.183 -14.626 1.00 63.02 C ATOM 921 CG GLN A 55 5.620 4.420 -13.759 1.00 22.21 C ATOM 922 CD GLN A 55 4.237 5.029 -13.877 1.00 2.54 C ATOM 923 OE1 GLN A 55 3.264 4.497 -13.343 1.00 32.13 O ATOM 924 NE2 GLN A 55 4.143 6.153 -14.578 1.00 70.13 N ATOM 0 H GLN A 55 4.029 2.774 -16.402 1.00 23.25 H new ATOM 0 HA GLN A 55 6.366 4.511 -16.216 1.00 35.34 H new ATOM 0 HB2 GLN A 55 4.917 2.542 -14.505 1.00 63.02 H new ATOM 0 HB3 GLN A 55 6.652 2.617 -14.272 1.00 63.02 H new ATOM 0 HG2 GLN A 55 5.810 4.158 -12.718 1.00 22.21 H new ATOM 0 HG3 GLN A 55 6.366 5.163 -14.042 1.00 22.21 H new ATOM 0 HE21 GLN A 55 4.976 6.560 -15.004 1.00 70.13 H new ATOM 0 HE22 GLN A 55 3.238 6.610 -14.691 1.00 70.13 H new ATOM 933 N LEU A 56 6.481 1.396 -17.211 1.00 44.50 N ATOM 934 CA LEU A 56 7.335 0.386 -17.826 1.00 22.13 C ATOM 935 C LEU A 56 8.252 1.011 -18.873 1.00 35.22 C ATOM 936 O LEU A 56 7.791 1.689 -19.792 1.00 61.10 O ATOM 937 CB LEU A 56 6.482 -0.710 -18.467 1.00 13.30 C ATOM 938 CG LEU A 56 7.188 -1.598 -19.492 1.00 5.43 C ATOM 939 CD1 LEU A 56 6.605 -3.002 -19.474 1.00 10.12 C ATOM 940 CD2 LEU A 56 7.084 -0.992 -20.884 1.00 61.40 C ATOM 0 H LEU A 56 5.490 1.154 -17.189 1.00 44.50 H new ATOM 0 HA LEU A 56 7.954 -0.055 -17.045 1.00 22.13 H new ATOM 0 HB2 LEU A 56 6.089 -1.347 -17.674 1.00 13.30 H new ATOM 0 HB3 LEU A 56 5.627 -0.240 -18.952 1.00 13.30 H new ATOM 0 HG LEU A 56 8.243 -1.662 -19.224 1.00 5.43 H new ATOM 0 HD11 LEU A 56 7.120 -3.619 -20.210 1.00 10.12 H new ATOM 0 HD12 LEU A 56 6.733 -3.436 -18.483 1.00 10.12 H new ATOM 0 HD13 LEU A 56 5.543 -2.958 -19.717 1.00 10.12 H new ATOM 0 HD21 LEU A 56 7.592 -1.637 -21.601 1.00 61.40 H new ATOM 0 HD22 LEU A 56 6.034 -0.897 -21.162 1.00 61.40 H new ATOM 0 HD23 LEU A 56 7.551 -0.007 -20.888 1.00 61.40 H new ATOM 952 N THR A 57 9.552 0.777 -18.729 1.00 63.41 N ATOM 953 CA THR A 57 10.534 1.315 -19.662 1.00 54.14 C ATOM 954 C THR A 57 11.425 0.212 -20.221 1.00 30.34 C ATOM 955 O THR A 57 11.193 -0.972 -19.972 1.00 5.42 O ATOM 956 CB THR A 57 11.418 2.384 -18.993 1.00 53.31 C ATOM 957 OG1 THR A 57 10.910 2.694 -17.691 1.00 2.35 O ATOM 958 CG2 THR A 57 11.470 3.649 -19.837 1.00 13.11 C ATOM 0 H THR A 57 9.950 0.218 -17.974 1.00 63.41 H new ATOM 0 HA THR A 57 9.975 1.774 -20.477 1.00 54.14 H new ATOM 0 HB THR A 57 12.428 1.985 -18.903 1.00 53.31 H new ATOM 0 HG1 THR A 57 11.478 3.373 -17.271 1.00 2.35 H new ATOM 0 HG21 THR A 57 12.100 4.389 -19.344 1.00 13.11 H new ATOM 0 HG22 THR A 57 11.884 3.415 -20.818 1.00 13.11 H new ATOM 0 HG23 THR A 57 10.463 4.050 -19.954 1.00 13.11 H new ATOM 966 N ARG A 58 12.445 0.606 -20.976 1.00 11.54 N ATOM 967 CA ARG A 58 13.371 -0.350 -21.569 1.00 61.14 C ATOM 968 C ARG A 58 13.884 -1.333 -20.521 1.00 1.10 C ATOM 969 O ARG A 58 13.840 -2.547 -20.719 1.00 53.04 O ATOM 970 CB ARG A 58 14.548 0.382 -22.217 1.00 21.20 C ATOM 971 CG ARG A 58 15.514 -0.540 -22.943 1.00 75.44 C ATOM 972 CD ARG A 58 14.799 -1.386 -23.986 1.00 14.13 C ATOM 973 NE ARG A 58 14.111 -0.565 -24.979 1.00 3.11 N ATOM 974 CZ ARG A 58 14.736 0.087 -25.953 1.00 63.01 C ATOM 975 NH1 ARG A 58 16.055 0.014 -26.064 1.00 64.54 N ATOM 976 NH2 ARG A 58 14.041 0.814 -26.819 1.00 24.22 N ATOM 0 H ARG A 58 12.651 1.582 -21.191 1.00 11.54 H new ATOM 0 HA ARG A 58 12.834 -0.910 -22.335 1.00 61.14 H new ATOM 0 HB2 ARG A 58 14.163 1.119 -22.922 1.00 21.20 H new ATOM 0 HB3 ARG A 58 15.091 0.931 -21.448 1.00 21.20 H new ATOM 0 HG2 ARG A 58 16.292 0.052 -23.424 1.00 75.44 H new ATOM 0 HG3 ARG A 58 16.009 -1.191 -22.222 1.00 75.44 H new ATOM 0 HD2 ARG A 58 15.521 -2.031 -24.487 1.00 14.13 H new ATOM 0 HD3 ARG A 58 14.078 -2.038 -23.492 1.00 14.13 H new ATOM 0 HE ARG A 58 13.096 -0.488 -24.921 1.00 3.11 H new ATOM 0 HH11 ARG A 58 16.593 -0.544 -25.401 1.00 64.54 H new ATOM 0 HH12 ARG A 58 16.532 0.516 -26.813 1.00 64.54 H new ATOM 0 HH21 ARG A 58 13.026 0.872 -26.737 1.00 24.22 H new ATOM 0 HH22 ARG A 58 14.522 1.314 -27.567 1.00 24.22 H new ATOM 990 N SER A 59 14.371 -0.799 -19.405 1.00 62.33 N ATOM 991 CA SER A 59 14.897 -1.629 -18.327 1.00 52.23 C ATOM 992 C SER A 59 13.873 -2.676 -17.899 1.00 11.42 C ATOM 993 O SER A 59 14.231 -3.788 -17.512 1.00 30.12 O ATOM 994 CB SER A 59 15.286 -0.760 -17.130 1.00 42.30 C ATOM 995 OG SER A 59 16.582 -0.211 -17.298 1.00 21.42 O ATOM 0 H SER A 59 14.412 0.204 -19.224 1.00 62.33 H new ATOM 0 HA SER A 59 15.784 -2.144 -18.697 1.00 52.23 H new ATOM 0 HB2 SER A 59 14.560 0.044 -17.009 1.00 42.30 H new ATOM 0 HB3 SER A 59 15.256 -1.357 -16.218 1.00 42.30 H new ATOM 0 HG SER A 59 16.806 0.342 -16.520 1.00 21.42 H new ATOM 1001 N ASP A 60 12.598 -2.311 -17.971 1.00 13.52 N ATOM 1002 CA ASP A 60 11.520 -3.217 -17.592 1.00 23.24 C ATOM 1003 C ASP A 60 11.291 -4.270 -18.671 1.00 60.33 C ATOM 1004 O ASP A 60 10.940 -5.412 -18.374 1.00 35.11 O ATOM 1005 CB ASP A 60 10.230 -2.435 -17.343 1.00 50.51 C ATOM 1006 CG ASP A 60 9.037 -3.342 -17.114 1.00 4.02 C ATOM 1007 OD1 ASP A 60 8.762 -4.191 -17.987 1.00 54.42 O ATOM 1008 OD2 ASP A 60 8.379 -3.203 -16.061 1.00 42.04 O ATOM 0 H ASP A 60 12.285 -1.393 -18.289 1.00 13.52 H new ATOM 0 HA ASP A 60 11.811 -3.723 -16.672 1.00 23.24 H new ATOM 0 HB2 ASP A 60 10.363 -1.788 -16.476 1.00 50.51 H new ATOM 0 HB3 ASP A 60 10.031 -1.787 -18.197 1.00 50.51 H new ATOM 1013 N ARG A 61 11.491 -3.878 -19.925 1.00 64.22 N ATOM 1014 CA ARG A 61 11.304 -4.788 -21.049 1.00 43.43 C ATOM 1015 C ARG A 61 12.466 -5.771 -21.152 1.00 64.21 C ATOM 1016 O ARG A 61 12.272 -6.945 -21.466 1.00 31.05 O ATOM 1017 CB ARG A 61 11.172 -4.000 -22.354 1.00 2.42 C ATOM 1018 CG ARG A 61 9.869 -4.257 -23.092 1.00 34.34 C ATOM 1019 CD ARG A 61 9.202 -2.958 -23.516 1.00 2.13 C ATOM 1020 NE ARG A 61 8.148 -3.180 -24.502 1.00 42.20 N ATOM 1021 CZ ARG A 61 8.383 -3.504 -25.769 1.00 4.53 C ATOM 1022 NH1 ARG A 61 9.629 -3.643 -26.200 1.00 42.25 N ATOM 1023 NH2 ARG A 61 7.371 -3.689 -26.606 1.00 60.12 N ATOM 0 H ARG A 61 11.782 -2.937 -20.188 1.00 64.22 H new ATOM 0 HA ARG A 61 10.387 -5.352 -20.878 1.00 43.43 H new ATOM 0 HB2 ARG A 61 11.252 -2.935 -22.135 1.00 2.42 H new ATOM 0 HB3 ARG A 61 12.006 -4.254 -23.008 1.00 2.42 H new ATOM 0 HG2 ARG A 61 10.063 -4.871 -23.971 1.00 34.34 H new ATOM 0 HG3 ARG A 61 9.192 -4.822 -22.451 1.00 34.34 H new ATOM 0 HD2 ARG A 61 8.781 -2.464 -22.640 1.00 2.13 H new ATOM 0 HD3 ARG A 61 9.951 -2.285 -23.932 1.00 2.13 H new ATOM 0 HE ARG A 61 7.178 -3.081 -24.202 1.00 42.20 H new ATOM 0 HH11 ARG A 61 10.409 -3.501 -25.559 1.00 42.25 H new ATOM 0 HH12 ARG A 61 9.807 -3.892 -27.173 1.00 42.25 H new ATOM 0 HH21 ARG A 61 6.411 -3.583 -26.277 1.00 60.12 H new ATOM 0 HH22 ARG A 61 7.552 -3.938 -27.578 1.00 60.12 H new ATOM 1037 N GLU A 62 13.674 -5.283 -20.886 1.00 51.44 N ATOM 1038 CA GLU A 62 14.867 -6.119 -20.951 1.00 13.13 C ATOM 1039 C GLU A 62 14.873 -7.145 -19.821 1.00 60.35 C ATOM 1040 O GLU A 62 15.248 -8.301 -20.020 1.00 32.00 O ATOM 1041 CB GLU A 62 16.127 -5.255 -20.876 1.00 41.42 C ATOM 1042 CG GLU A 62 16.298 -4.540 -19.546 1.00 33.51 C ATOM 1043 CD GLU A 62 17.545 -3.679 -19.502 1.00 22.52 C ATOM 1044 OE1 GLU A 62 17.786 -2.934 -20.475 1.00 34.23 O ATOM 1045 OE2 GLU A 62 18.281 -3.751 -18.495 1.00 52.14 O ATOM 0 H GLU A 62 13.852 -4.314 -20.624 1.00 51.44 H new ATOM 0 HA GLU A 62 14.856 -6.651 -21.903 1.00 13.13 H new ATOM 0 HB2 GLU A 62 16.999 -5.884 -21.056 1.00 41.42 H new ATOM 0 HB3 GLU A 62 16.098 -4.515 -21.675 1.00 41.42 H new ATOM 0 HG2 GLU A 62 15.424 -3.917 -19.358 1.00 33.51 H new ATOM 0 HG3 GLU A 62 16.342 -5.277 -18.744 1.00 33.51 H new ATOM 1052 N VAL A 63 14.456 -6.714 -18.635 1.00 72.13 N ATOM 1053 CA VAL A 63 14.412 -7.594 -17.474 1.00 25.32 C ATOM 1054 C VAL A 63 13.319 -8.646 -17.622 1.00 14.24 C ATOM 1055 O VAL A 63 13.504 -9.807 -17.254 1.00 0.44 O ATOM 1056 CB VAL A 63 14.174 -6.800 -16.176 1.00 54.31 C ATOM 1057 CG1 VAL A 63 15.330 -5.847 -15.912 1.00 72.25 C ATOM 1058 CG2 VAL A 63 12.855 -6.044 -16.250 1.00 5.14 C ATOM 0 H VAL A 63 14.144 -5.760 -18.453 1.00 72.13 H new ATOM 0 HA VAL A 63 15.382 -8.089 -17.415 1.00 25.32 H new ATOM 0 HB VAL A 63 14.119 -7.503 -15.345 1.00 54.31 H new ATOM 0 HG11 VAL A 63 15.143 -5.295 -14.991 1.00 72.25 H new ATOM 0 HG12 VAL A 63 16.255 -6.415 -15.814 1.00 72.25 H new ATOM 0 HG13 VAL A 63 15.421 -5.147 -16.742 1.00 72.25 H new ATOM 0 HG21 VAL A 63 12.702 -5.488 -15.325 1.00 5.14 H new ATOM 0 HG22 VAL A 63 12.880 -5.350 -17.090 1.00 5.14 H new ATOM 0 HG23 VAL A 63 12.037 -6.752 -16.388 1.00 5.14 H new ATOM 1068 N LEU A 64 12.178 -8.233 -18.163 1.00 10.32 N ATOM 1069 CA LEU A 64 11.052 -9.139 -18.361 1.00 24.34 C ATOM 1070 C LEU A 64 11.394 -10.216 -19.386 1.00 11.21 C ATOM 1071 O LEU A 64 11.085 -11.392 -19.192 1.00 45.11 O ATOM 1072 CB LEU A 64 9.818 -8.359 -18.815 1.00 75.33 C ATOM 1073 CG LEU A 64 8.667 -8.278 -17.811 1.00 24.21 C ATOM 1074 CD1 LEU A 64 9.204 -8.148 -16.394 1.00 63.00 C ATOM 1075 CD2 LEU A 64 7.749 -7.112 -18.145 1.00 2.54 C ATOM 0 H LEU A 64 12.008 -7.276 -18.473 1.00 10.32 H new ATOM 0 HA LEU A 64 10.836 -9.625 -17.409 1.00 24.34 H new ATOM 0 HB2 LEU A 64 10.127 -7.344 -19.066 1.00 75.33 H new ATOM 0 HB3 LEU A 64 9.443 -8.814 -19.732 1.00 75.33 H new ATOM 0 HG LEU A 64 8.088 -9.199 -17.875 1.00 24.21 H new ATOM 0 HD11 LEU A 64 8.371 -8.092 -15.693 1.00 63.00 H new ATOM 0 HD12 LEU A 64 9.820 -9.016 -16.157 1.00 63.00 H new ATOM 0 HD13 LEU A 64 9.807 -7.243 -16.315 1.00 63.00 H new ATOM 0 HD21 LEU A 64 6.936 -7.070 -17.420 1.00 2.54 H new ATOM 0 HD22 LEU A 64 8.315 -6.181 -18.110 1.00 2.54 H new ATOM 0 HD23 LEU A 64 7.337 -7.248 -19.145 1.00 2.54 H new ATOM 1087 N ASP A 65 12.034 -9.806 -20.475 1.00 51.14 N ATOM 1088 CA ASP A 65 12.421 -10.736 -21.530 1.00 51.41 C ATOM 1089 C ASP A 65 13.456 -11.734 -21.022 1.00 22.04 C ATOM 1090 O ASP A 65 13.448 -12.902 -21.408 1.00 3.02 O ATOM 1091 CB ASP A 65 12.978 -9.973 -22.733 1.00 12.40 C ATOM 1092 CG ASP A 65 12.203 -10.253 -24.006 1.00 23.13 C ATOM 1093 OD1 ASP A 65 12.517 -11.255 -24.683 1.00 11.30 O ATOM 1094 OD2 ASP A 65 11.283 -9.472 -24.324 1.00 40.31 O ATOM 0 H ASP A 65 12.296 -8.836 -20.651 1.00 51.14 H new ATOM 0 HA ASP A 65 11.532 -11.287 -21.838 1.00 51.41 H new ATOM 0 HB2 ASP A 65 12.954 -8.903 -22.524 1.00 12.40 H new ATOM 0 HB3 ASP A 65 14.023 -10.245 -22.880 1.00 12.40 H new ATOM 1099 N ASN A 66 14.347 -11.265 -20.154 1.00 12.12 N ATOM 1100 CA ASN A 66 15.390 -12.116 -19.594 1.00 30.35 C ATOM 1101 C ASN A 66 14.813 -13.067 -18.549 1.00 64.42 C ATOM 1102 O ASN A 66 15.095 -14.266 -18.564 1.00 3.44 O ATOM 1103 CB ASN A 66 16.493 -11.261 -18.967 1.00 63.30 C ATOM 1104 CG ASN A 66 17.672 -12.092 -18.496 1.00 54.05 C ATOM 1105 OD1 ASN A 66 17.714 -12.536 -17.349 1.00 14.31 O ATOM 1106 ND2 ASN A 66 18.636 -12.306 -19.384 1.00 3.24 N ATOM 0 H ASN A 66 14.367 -10.300 -19.823 1.00 12.12 H new ATOM 0 HA ASN A 66 15.815 -12.708 -20.404 1.00 30.35 H new ATOM 0 HB2 ASN A 66 16.837 -10.526 -19.695 1.00 63.30 H new ATOM 0 HB3 ASN A 66 16.083 -10.706 -18.123 1.00 63.30 H new ATOM 0 HD21 ASN A 66 19.454 -12.858 -19.126 1.00 3.24 H new ATOM 0 HD22 ASN A 66 18.559 -11.918 -20.324 1.00 3.24 H new ATOM 1113 N TRP A 67 14.005 -12.525 -17.646 1.00 20.21 N ATOM 1114 CA TRP A 67 13.388 -13.326 -16.594 1.00 50.33 C ATOM 1115 C TRP A 67 12.649 -14.522 -17.184 1.00 20.04 C ATOM 1116 O TRP A 67 12.814 -15.653 -16.725 1.00 44.42 O ATOM 1117 CB TRP A 67 12.423 -12.469 -15.772 1.00 64.14 C ATOM 1118 CG TRP A 67 13.096 -11.710 -14.669 1.00 10.10 C ATOM 1119 CD1 TRP A 67 14.093 -12.162 -13.852 1.00 73.02 C ATOM 1120 CD2 TRP A 67 12.819 -10.366 -14.261 1.00 13.12 C ATOM 1121 NE1 TRP A 67 14.452 -11.180 -12.961 1.00 12.03 N ATOM 1122 CE2 TRP A 67 13.686 -10.068 -13.191 1.00 72.12 C ATOM 1123 CE3 TRP A 67 11.924 -9.384 -14.696 1.00 22.32 C ATOM 1124 CZ2 TRP A 67 13.681 -8.831 -12.552 1.00 64.11 C ATOM 1125 CZ3 TRP A 67 11.921 -8.157 -14.060 1.00 70.33 C ATOM 1126 CH2 TRP A 67 12.795 -7.889 -12.999 1.00 2.14 C ATOM 0 H TRP A 67 13.761 -11.535 -17.620 1.00 20.21 H new ATOM 0 HA TRP A 67 14.179 -13.697 -15.942 1.00 50.33 H new ATOM 0 HB2 TRP A 67 11.920 -11.764 -16.434 1.00 64.14 H new ATOM 0 HB3 TRP A 67 11.652 -13.111 -15.345 1.00 64.14 H new ATOM 0 HD1 TRP A 67 14.534 -13.147 -13.900 1.00 73.02 H new ATOM 0 HE1 TRP A 67 15.173 -11.265 -12.244 1.00 12.03 H new ATOM 0 HE3 TRP A 67 11.247 -9.581 -15.514 1.00 22.32 H new ATOM 0 HZ2 TRP A 67 14.353 -8.622 -11.732 1.00 64.11 H new ATOM 0 HZ3 TRP A 67 11.233 -7.392 -14.387 1.00 70.33 H new ATOM 0 HH2 TRP A 67 12.769 -6.919 -12.524 1.00 2.14 H new ATOM 1137 N ARG A 68 11.834 -14.266 -18.202 1.00 1.13 N ATOM 1138 CA ARG A 68 11.069 -15.323 -18.853 1.00 2.34 C ATOM 1139 C ARG A 68 11.975 -16.196 -19.716 1.00 74.21 C ATOM 1140 O ARG A 68 11.646 -17.345 -20.011 1.00 43.33 O ATOM 1141 CB ARG A 68 9.955 -14.721 -19.710 1.00 53.43 C ATOM 1142 CG ARG A 68 10.383 -14.412 -21.136 1.00 14.43 C ATOM 1143 CD ARG A 68 9.659 -13.191 -21.682 1.00 40.22 C ATOM 1144 NE ARG A 68 8.397 -13.545 -22.326 1.00 61.23 N ATOM 1145 CZ ARG A 68 8.318 -14.111 -23.525 1.00 74.33 C ATOM 1146 NH1 ARG A 68 9.421 -14.386 -24.207 1.00 22.01 N ATOM 1147 NH2 ARG A 68 7.132 -14.404 -24.045 1.00 23.22 N ATOM 0 H ARG A 68 11.686 -13.336 -18.594 1.00 1.13 H new ATOM 0 HA ARG A 68 10.624 -15.946 -18.077 1.00 2.34 H new ATOM 0 HB2 ARG A 68 9.113 -15.412 -19.734 1.00 53.43 H new ATOM 0 HB3 ARG A 68 9.601 -13.804 -19.239 1.00 53.43 H new ATOM 0 HG2 ARG A 68 11.459 -14.242 -21.165 1.00 14.43 H new ATOM 0 HG3 ARG A 68 10.179 -15.273 -21.773 1.00 14.43 H new ATOM 0 HD2 ARG A 68 9.467 -12.490 -20.870 1.00 40.22 H new ATOM 0 HD3 ARG A 68 10.301 -12.680 -22.399 1.00 40.22 H new ATOM 0 HE ARG A 68 7.529 -13.347 -21.828 1.00 61.23 H new ATOM 0 HH11 ARG A 68 10.334 -14.163 -23.811 1.00 22.01 H new ATOM 0 HH12 ARG A 68 9.356 -14.821 -25.127 1.00 22.01 H new ATOM 0 HH21 ARG A 68 6.281 -14.194 -23.524 1.00 23.22 H new ATOM 0 HH22 ARG A 68 7.072 -14.839 -24.966 1.00 23.22 H new ATOM 1161 N GLU A 69 13.115 -15.643 -20.118 1.00 13.44 N ATOM 1162 CA GLU A 69 14.066 -16.371 -20.948 1.00 60.52 C ATOM 1163 C GLU A 69 14.792 -17.439 -20.135 1.00 22.11 C ATOM 1164 O GLU A 69 14.979 -18.566 -20.595 1.00 32.40 O ATOM 1165 CB GLU A 69 15.081 -15.407 -21.566 1.00 71.30 C ATOM 1166 CG GLU A 69 16.247 -16.105 -22.246 1.00 40.41 C ATOM 1167 CD GLU A 69 15.806 -16.997 -23.391 1.00 4.54 C ATOM 1168 OE1 GLU A 69 14.729 -16.736 -23.966 1.00 2.02 O ATOM 1169 OE2 GLU A 69 16.540 -17.955 -23.711 1.00 32.42 O ATOM 0 H GLU A 69 13.402 -14.693 -19.882 1.00 13.44 H new ATOM 0 HA GLU A 69 13.510 -16.862 -21.746 1.00 60.52 H new ATOM 0 HB2 GLU A 69 14.572 -14.775 -22.294 1.00 71.30 H new ATOM 0 HB3 GLU A 69 15.466 -14.750 -20.787 1.00 71.30 H new ATOM 0 HG2 GLU A 69 16.945 -15.356 -22.621 1.00 40.41 H new ATOM 0 HG3 GLU A 69 16.786 -16.703 -21.511 1.00 40.41 H new ATOM 1176 N LEU A 70 15.200 -17.076 -18.924 1.00 22.01 N ATOM 1177 CA LEU A 70 15.907 -18.002 -18.045 1.00 53.42 C ATOM 1178 C LEU A 70 14.948 -19.028 -17.452 1.00 33.44 C ATOM 1179 O LEU A 70 15.330 -20.168 -17.188 1.00 35.00 O ATOM 1180 CB LEU A 70 16.609 -17.235 -16.923 1.00 43.13 C ATOM 1181 CG LEU A 70 15.738 -16.263 -16.127 1.00 43.52 C ATOM 1182 CD1 LEU A 70 14.948 -17.004 -15.060 1.00 63.42 C ATOM 1183 CD2 LEU A 70 16.594 -15.172 -15.498 1.00 72.35 C ATOM 0 H LEU A 70 15.054 -16.147 -18.528 1.00 22.01 H new ATOM 0 HA LEU A 70 16.654 -18.530 -18.638 1.00 53.42 H new ATOM 0 HB2 LEU A 70 17.038 -17.958 -16.229 1.00 43.13 H new ATOM 0 HB3 LEU A 70 17.439 -16.677 -17.356 1.00 43.13 H new ATOM 0 HG LEU A 70 15.032 -15.794 -16.812 1.00 43.52 H new ATOM 0 HD11 LEU A 70 14.334 -16.295 -14.504 1.00 63.42 H new ATOM 0 HD12 LEU A 70 14.306 -17.747 -15.533 1.00 63.42 H new ATOM 0 HD13 LEU A 70 15.637 -17.501 -14.377 1.00 63.42 H new ATOM 0 HD21 LEU A 70 15.957 -14.489 -14.935 1.00 72.35 H new ATOM 0 HD22 LEU A 70 17.324 -15.624 -14.827 1.00 72.35 H new ATOM 0 HD23 LEU A 70 17.114 -14.621 -16.281 1.00 72.35 H new ATOM 1195 N GLU A 71 13.701 -18.616 -17.246 1.00 75.42 N ATOM 1196 CA GLU A 71 12.687 -19.502 -16.685 1.00 51.11 C ATOM 1197 C GLU A 71 12.256 -20.551 -17.706 1.00 30.32 C ATOM 1198 O GLU A 71 11.850 -21.655 -17.343 1.00 51.11 O ATOM 1199 CB GLU A 71 11.472 -18.695 -16.223 1.00 52.33 C ATOM 1200 CG GLU A 71 10.355 -19.550 -15.649 1.00 23.23 C ATOM 1201 CD GLU A 71 9.133 -18.737 -15.271 1.00 14.12 C ATOM 1202 OE1 GLU A 71 9.205 -17.492 -15.334 1.00 12.13 O ATOM 1203 OE2 GLU A 71 8.103 -19.346 -14.912 1.00 61.33 O ATOM 0 H GLU A 71 13.369 -17.675 -17.459 1.00 75.42 H new ATOM 0 HA GLU A 71 13.123 -20.013 -15.826 1.00 51.11 H new ATOM 0 HB2 GLU A 71 11.790 -17.975 -15.469 1.00 52.33 H new ATOM 0 HB3 GLU A 71 11.084 -18.124 -17.066 1.00 52.33 H new ATOM 0 HG2 GLU A 71 10.071 -20.308 -16.379 1.00 23.23 H new ATOM 0 HG3 GLU A 71 10.722 -20.078 -14.769 1.00 23.23 H new ATOM 1210 N MET A 72 12.347 -20.198 -18.984 1.00 4.24 N ATOM 1211 CA MET A 72 11.968 -21.109 -20.057 1.00 53.12 C ATOM 1212 C MET A 72 13.157 -21.958 -20.495 1.00 73.23 C ATOM 1213 O MET A 72 12.987 -23.063 -21.011 1.00 21.42 O ATOM 1214 CB MET A 72 11.419 -20.325 -21.251 1.00 0.54 C ATOM 1215 CG MET A 72 12.482 -19.543 -22.005 1.00 3.44 C ATOM 1216 SD MET A 72 11.857 -18.813 -23.530 1.00 52.21 S ATOM 1217 CE MET A 72 13.002 -19.495 -24.726 1.00 44.32 C ATOM 0 H MET A 72 12.680 -19.288 -19.301 1.00 4.24 H new ATOM 0 HA MET A 72 11.190 -21.772 -19.678 1.00 53.12 H new ATOM 0 HB2 MET A 72 10.934 -21.018 -21.938 1.00 0.54 H new ATOM 0 HB3 MET A 72 10.652 -19.634 -20.900 1.00 0.54 H new ATOM 0 HG2 MET A 72 12.871 -18.754 -21.362 1.00 3.44 H new ATOM 0 HG3 MET A 72 13.316 -20.204 -22.239 1.00 3.44 H new ATOM 0 HE1 MET A 72 12.745 -19.134 -25.722 1.00 44.32 H new ATOM 0 HE2 MET A 72 14.016 -19.183 -24.477 1.00 44.32 H new ATOM 0 HE3 MET A 72 12.942 -20.583 -24.707 1.00 44.32 H new ATOM 1227 N LYS A 73 14.360 -21.435 -20.288 1.00 23.25 N ATOM 1228 CA LYS A 73 15.578 -22.145 -20.660 1.00 22.01 C ATOM 1229 C LYS A 73 15.962 -23.164 -19.592 1.00 2.03 C ATOM 1230 O LYS A 73 16.775 -24.055 -19.835 1.00 22.33 O ATOM 1231 CB LYS A 73 16.726 -21.155 -20.871 1.00 52.12 C ATOM 1232 CG LYS A 73 17.494 -20.834 -19.601 1.00 21.01 C ATOM 1233 CD LYS A 73 18.558 -19.777 -19.844 1.00 53.45 C ATOM 1234 CE LYS A 73 19.868 -20.399 -20.301 1.00 62.12 C ATOM 1235 NZ LYS A 73 20.987 -19.416 -20.279 1.00 33.12 N ATOM 0 H LYS A 73 14.518 -20.521 -19.864 1.00 23.25 H new ATOM 0 HA LYS A 73 15.388 -22.676 -21.593 1.00 22.01 H new ATOM 0 HB2 LYS A 73 17.416 -21.564 -21.609 1.00 52.12 H new ATOM 0 HB3 LYS A 73 16.325 -20.230 -21.287 1.00 52.12 H new ATOM 0 HG2 LYS A 73 16.802 -20.485 -18.835 1.00 21.01 H new ATOM 0 HG3 LYS A 73 17.962 -21.741 -19.219 1.00 21.01 H new ATOM 0 HD2 LYS A 73 18.207 -19.072 -20.597 1.00 53.45 H new ATOM 0 HD3 LYS A 73 18.724 -19.209 -18.929 1.00 53.45 H new ATOM 0 HE2 LYS A 73 20.113 -21.243 -19.656 1.00 62.12 H new ATOM 0 HE3 LYS A 73 19.750 -20.793 -21.311 1.00 62.12 H new ATOM 0 HZ1 LYS A 73 21.862 -19.879 -20.597 1.00 33.12 H new ATOM 0 HZ2 LYS A 73 20.765 -18.623 -20.914 1.00 33.12 H new ATOM 0 HZ3 LYS A 73 21.117 -19.059 -19.311 1.00 33.12 H new ATOM 1249 N ALA A 74 15.371 -23.026 -18.409 1.00 70.54 N ATOM 1250 CA ALA A 74 15.649 -23.937 -17.306 1.00 32.31 C ATOM 1251 C ALA A 74 15.021 -25.305 -17.551 1.00 71.05 C ATOM 1252 O ALA A 74 15.148 -26.213 -16.730 1.00 60.43 O ATOM 1253 CB ALA A 74 15.143 -23.350 -15.997 1.00 3.34 C ATOM 0 H ALA A 74 14.697 -22.292 -18.191 1.00 70.54 H new ATOM 0 HA ALA A 74 16.729 -24.069 -17.240 1.00 32.31 H new ATOM 0 HB1 ALA A 74 15.357 -24.041 -15.182 1.00 3.34 H new ATOM 0 HB2 ALA A 74 15.642 -22.399 -15.808 1.00 3.34 H new ATOM 0 HB3 ALA A 74 14.067 -23.189 -16.063 1.00 3.34 H new ATOM 1259 N ARG A 75 14.343 -25.444 -18.686 1.00 34.51 N ATOM 1260 CA ARG A 75 13.693 -26.701 -19.038 1.00 61.31 C ATOM 1261 C ARG A 75 12.866 -27.231 -17.871 1.00 34.52 C ATOM 1262 O ARG A 75 12.978 -28.398 -17.495 1.00 24.41 O ATOM 1263 CB ARG A 75 14.737 -27.741 -19.451 1.00 55.02 C ATOM 1264 CG ARG A 75 15.637 -27.283 -20.587 1.00 14.51 C ATOM 1265 CD ARG A 75 14.929 -27.373 -21.930 1.00 12.22 C ATOM 1266 NE ARG A 75 15.861 -27.262 -23.048 1.00 61.35 N ATOM 1267 CZ ARG A 75 16.734 -28.209 -23.374 1.00 20.21 C ATOM 1268 NH1 ARG A 75 16.793 -29.331 -22.670 1.00 23.12 N ATOM 1269 NH2 ARG A 75 17.550 -28.035 -24.406 1.00 33.00 N ATOM 0 H ARG A 75 14.230 -24.702 -19.377 1.00 34.51 H new ATOM 0 HA ARG A 75 13.025 -26.513 -19.878 1.00 61.31 H new ATOM 0 HB2 ARG A 75 15.354 -27.987 -18.587 1.00 55.02 H new ATOM 0 HB3 ARG A 75 14.227 -28.657 -19.750 1.00 55.02 H new ATOM 0 HG2 ARG A 75 15.954 -26.255 -20.410 1.00 14.51 H new ATOM 0 HG3 ARG A 75 16.538 -27.895 -20.608 1.00 14.51 H new ATOM 0 HD2 ARG A 75 14.395 -28.321 -21.996 1.00 12.22 H new ATOM 0 HD3 ARG A 75 14.183 -26.582 -22.000 1.00 12.22 H new ATOM 0 HE ARG A 75 15.841 -26.411 -23.610 1.00 61.35 H new ATOM 0 HH11 ARG A 75 16.167 -29.469 -21.876 1.00 23.12 H new ATOM 0 HH12 ARG A 75 17.464 -30.057 -22.922 1.00 23.12 H new ATOM 0 HH21 ARG A 75 17.508 -27.173 -24.950 1.00 33.00 H new ATOM 0 HH22 ARG A 75 18.220 -28.763 -24.655 1.00 33.00 H new ATOM 1283 N LYS A 76 12.034 -26.366 -17.301 1.00 21.14 N ATOM 1284 CA LYS A 76 11.186 -26.746 -16.177 1.00 4.44 C ATOM 1285 C LYS A 76 10.343 -25.564 -15.708 1.00 24.14 C ATOM 1286 O LYS A 76 10.876 -24.516 -15.343 1.00 52.42 O ATOM 1287 CB LYS A 76 12.042 -27.267 -15.020 1.00 13.15 C ATOM 1288 CG LYS A 76 11.466 -28.500 -14.345 1.00 51.00 C ATOM 1289 CD LYS A 76 11.778 -29.762 -15.131 1.00 23.53 C ATOM 1290 CE LYS A 76 11.264 -31.004 -14.418 1.00 65.00 C ATOM 1291 NZ LYS A 76 9.808 -30.911 -14.122 1.00 51.13 N ATOM 0 H LYS A 76 11.929 -25.396 -17.599 1.00 21.14 H new ATOM 0 HA LYS A 76 10.516 -27.538 -16.510 1.00 4.44 H new ATOM 0 HB2 LYS A 76 13.039 -27.500 -15.393 1.00 13.15 H new ATOM 0 HB3 LYS A 76 12.155 -26.476 -14.278 1.00 13.15 H new ATOM 0 HG2 LYS A 76 11.872 -28.588 -13.337 1.00 51.00 H new ATOM 0 HG3 LYS A 76 10.386 -28.390 -14.245 1.00 51.00 H new ATOM 0 HD2 LYS A 76 11.327 -29.696 -16.121 1.00 23.53 H new ATOM 0 HD3 LYS A 76 12.855 -29.844 -15.277 1.00 23.53 H new ATOM 0 HE2 LYS A 76 11.454 -31.882 -15.036 1.00 65.00 H new ATOM 0 HE3 LYS A 76 11.815 -31.143 -13.488 1.00 65.00 H new ATOM 0 HZ1 LYS A 76 9.450 -31.846 -13.842 1.00 51.13 H new ATOM 0 HZ2 LYS A 76 9.654 -30.235 -13.347 1.00 51.13 H new ATOM 0 HZ3 LYS A 76 9.301 -30.587 -14.970 1.00 51.13 H new ATOM 1305 N ARG A 77 9.026 -25.742 -15.718 1.00 44.41 N ATOM 1306 CA ARG A 77 8.110 -24.690 -15.293 1.00 44.14 C ATOM 1307 C ARG A 77 8.037 -24.615 -13.771 1.00 72.01 C ATOM 1308 O ARG A 77 7.210 -25.280 -13.145 1.00 62.13 O ATOM 1309 CB ARG A 77 6.715 -24.936 -15.871 1.00 1.44 C ATOM 1310 CG ARG A 77 6.629 -24.711 -17.371 1.00 54.33 C ATOM 1311 CD ARG A 77 5.227 -24.982 -17.895 1.00 41.24 C ATOM 1312 NE ARG A 77 4.735 -26.295 -17.488 1.00 61.34 N ATOM 1313 CZ ARG A 77 3.503 -26.727 -17.735 1.00 23.25 C ATOM 1314 NH1 ARG A 77 2.643 -25.954 -18.383 1.00 22.02 N ATOM 1315 NH2 ARG A 77 3.130 -27.935 -17.332 1.00 72.33 N ATOM 0 H ARG A 77 8.570 -26.604 -16.016 1.00 44.41 H new ATOM 0 HA ARG A 77 8.488 -23.739 -15.668 1.00 44.14 H new ATOM 0 HB2 ARG A 77 6.414 -25.960 -15.648 1.00 1.44 H new ATOM 0 HB3 ARG A 77 6.003 -24.278 -15.372 1.00 1.44 H new ATOM 0 HG2 ARG A 77 6.913 -23.685 -17.603 1.00 54.33 H new ATOM 0 HG3 ARG A 77 7.341 -25.362 -17.879 1.00 54.33 H new ATOM 0 HD2 ARG A 77 4.548 -24.211 -17.530 1.00 41.24 H new ATOM 0 HD3 ARG A 77 5.228 -24.916 -18.983 1.00 41.24 H new ATOM 0 HE ARG A 77 5.372 -26.914 -16.987 1.00 61.34 H new ATOM 0 HH11 ARG A 77 2.926 -25.025 -18.694 1.00 22.02 H new ATOM 0 HH12 ARG A 77 1.698 -26.289 -18.571 1.00 22.02 H new ATOM 0 HH21 ARG A 77 3.789 -28.532 -16.833 1.00 72.33 H new ATOM 0 HH22 ARG A 77 2.184 -28.266 -17.522 1.00 72.33 H new ATOM 1329 N LEU A 78 8.906 -23.802 -13.181 1.00 63.23 N ATOM 1330 CA LEU A 78 8.941 -23.640 -11.732 1.00 33.31 C ATOM 1331 C LEU A 78 7.606 -23.118 -11.210 1.00 72.14 C ATOM 1332 O LEU A 78 6.856 -22.445 -11.917 1.00 52.43 O ATOM 1333 CB LEU A 78 10.066 -22.685 -11.332 1.00 44.33 C ATOM 1334 CG LEU A 78 11.451 -23.311 -11.167 1.00 24.01 C ATOM 1335 CD1 LEU A 78 11.647 -24.445 -12.161 1.00 53.03 C ATOM 1336 CD2 LEU A 78 12.537 -22.258 -11.336 1.00 53.24 C ATOM 0 H LEU A 78 9.596 -23.244 -13.684 1.00 63.23 H new ATOM 0 HA LEU A 78 9.128 -24.617 -11.287 1.00 33.31 H new ATOM 0 HB2 LEU A 78 10.132 -21.898 -12.084 1.00 44.33 H new ATOM 0 HB3 LEU A 78 9.792 -22.206 -10.392 1.00 44.33 H new ATOM 0 HG LEU A 78 11.524 -23.721 -10.160 1.00 24.01 H new ATOM 0 HD11 LEU A 78 12.638 -24.878 -12.028 1.00 53.03 H new ATOM 0 HD12 LEU A 78 10.891 -25.212 -11.992 1.00 53.03 H new ATOM 0 HD13 LEU A 78 11.553 -24.059 -13.176 1.00 53.03 H new ATOM 0 HD21 LEU A 78 13.516 -22.722 -11.215 1.00 53.24 H new ATOM 0 HD22 LEU A 78 12.465 -21.817 -12.330 1.00 53.24 H new ATOM 0 HD23 LEU A 78 12.409 -21.480 -10.584 1.00 53.24 H new ATOM 1348 N PRO A 79 7.301 -23.433 -9.943 1.00 24.13 N ATOM 1349 CA PRO A 79 6.057 -23.003 -9.297 1.00 64.41 C ATOM 1350 C PRO A 79 6.030 -21.502 -9.034 1.00 14.31 C ATOM 1351 O PRO A 79 5.059 -20.820 -9.365 1.00 35.23 O ATOM 1352 CB PRO A 79 6.057 -23.778 -7.977 1.00 1.23 C ATOM 1353 CG PRO A 79 7.494 -24.054 -7.699 1.00 65.14 C ATOM 1354 CD PRO A 79 8.148 -24.233 -9.042 1.00 4.53 C ATOM 0 HA PRO A 79 5.185 -23.198 -9.921 1.00 64.41 H new ATOM 0 HB2 PRO A 79 5.604 -23.195 -7.176 1.00 1.23 H new ATOM 0 HB3 PRO A 79 5.485 -24.702 -8.061 1.00 1.23 H new ATOM 0 HG2 PRO A 79 7.950 -23.231 -7.149 1.00 65.14 H new ATOM 0 HG3 PRO A 79 7.608 -24.949 -7.087 1.00 65.14 H new ATOM 0 HD2 PRO A 79 9.178 -23.877 -9.038 1.00 4.53 H new ATOM 0 HD3 PRO A 79 8.174 -25.281 -9.340 1.00 4.53 H new ATOM 1362 N THR A 80 7.102 -20.990 -8.437 1.00 34.13 N ATOM 1363 CA THR A 80 7.200 -19.569 -8.129 1.00 34.04 C ATOM 1364 C THR A 80 7.553 -18.760 -9.371 1.00 62.02 C ATOM 1365 O THR A 80 8.147 -19.281 -10.316 1.00 52.33 O ATOM 1366 CB THR A 80 8.255 -19.302 -7.039 1.00 32.04 C ATOM 1367 OG1 THR A 80 8.358 -20.435 -6.169 1.00 4.10 O ATOM 1368 CG2 THR A 80 7.895 -18.066 -6.229 1.00 2.35 C ATOM 0 H THR A 80 7.915 -21.539 -8.157 1.00 34.13 H new ATOM 0 HA THR A 80 6.222 -19.257 -7.762 1.00 34.04 H new ATOM 0 HB THR A 80 9.214 -19.131 -7.527 1.00 32.04 H new ATOM 0 HG1 THR A 80 9.197 -20.386 -5.666 1.00 4.10 H new ATOM 0 HG21 THR A 80 8.654 -17.897 -5.465 1.00 2.35 H new ATOM 0 HG22 THR A 80 7.846 -17.200 -6.889 1.00 2.35 H new ATOM 0 HG23 THR A 80 6.927 -18.214 -5.751 1.00 2.35 H new ATOM 1376 N THR A 81 7.186 -17.482 -9.365 1.00 33.45 N ATOM 1377 CA THR A 81 7.464 -16.601 -10.491 1.00 72.15 C ATOM 1378 C THR A 81 8.305 -15.405 -10.060 1.00 33.21 C ATOM 1379 O THR A 81 8.708 -14.586 -10.887 1.00 11.14 O ATOM 1380 CB THR A 81 6.163 -16.092 -11.141 1.00 21.11 C ATOM 1381 OG1 THR A 81 5.240 -17.175 -11.303 1.00 43.14 O ATOM 1382 CG2 THR A 81 6.447 -15.454 -12.492 1.00 53.33 C ATOM 0 H THR A 81 6.695 -17.034 -8.591 1.00 33.45 H new ATOM 0 HA THR A 81 8.021 -17.188 -11.221 1.00 72.15 H new ATOM 0 HB THR A 81 5.726 -15.338 -10.486 1.00 21.11 H new ATOM 0 HG1 THR A 81 4.415 -16.843 -11.715 1.00 43.14 H new ATOM 0 HG21 THR A 81 5.514 -15.102 -12.932 1.00 53.33 H new ATOM 0 HG22 THR A 81 7.127 -14.612 -12.361 1.00 53.33 H new ATOM 0 HG23 THR A 81 6.905 -16.190 -13.153 1.00 53.33 H new ATOM 1390 N LEU A 82 8.567 -15.310 -8.761 1.00 71.30 N ATOM 1391 CA LEU A 82 9.362 -14.214 -8.219 1.00 54.41 C ATOM 1392 C LEU A 82 10.739 -14.703 -7.782 1.00 52.05 C ATOM 1393 O LEU A 82 11.063 -14.699 -6.595 1.00 12.03 O ATOM 1394 CB LEU A 82 8.638 -13.569 -7.035 1.00 72.54 C ATOM 1395 CG LEU A 82 7.502 -12.608 -7.386 1.00 10.41 C ATOM 1396 CD1 LEU A 82 6.900 -12.010 -6.124 1.00 31.03 C ATOM 1397 CD2 LEU A 82 8.001 -11.509 -8.313 1.00 53.21 C ATOM 0 H LEU A 82 8.240 -15.979 -8.064 1.00 71.30 H new ATOM 0 HA LEU A 82 9.494 -13.471 -9.005 1.00 54.41 H new ATOM 0 HB2 LEU A 82 8.235 -14.362 -6.406 1.00 72.54 H new ATOM 0 HB3 LEU A 82 9.372 -13.029 -6.436 1.00 72.54 H new ATOM 0 HG LEU A 82 6.724 -13.169 -7.905 1.00 10.41 H new ATOM 0 HD11 LEU A 82 6.093 -11.329 -6.393 1.00 31.03 H new ATOM 0 HD12 LEU A 82 6.506 -12.808 -5.495 1.00 31.03 H new ATOM 0 HD13 LEU A 82 7.669 -11.464 -5.578 1.00 31.03 H new ATOM 0 HD21 LEU A 82 7.179 -10.834 -8.553 1.00 53.21 H new ATOM 0 HD22 LEU A 82 8.797 -10.951 -7.820 1.00 53.21 H new ATOM 0 HD23 LEU A 82 8.385 -11.954 -9.231 1.00 53.21 H new ATOM 1409 N PHE A 83 11.546 -15.122 -8.751 1.00 24.21 N ATOM 1410 CA PHE A 83 12.890 -15.614 -8.467 1.00 13.41 C ATOM 1411 C PHE A 83 13.919 -14.934 -9.366 1.00 13.15 C ATOM 1412 O PHE A 83 13.592 -14.018 -10.121 1.00 34.13 O ATOM 1413 CB PHE A 83 12.952 -17.130 -8.658 1.00 31.40 C ATOM 1414 CG PHE A 83 12.289 -17.603 -9.920 1.00 33.31 C ATOM 1415 CD1 PHE A 83 12.424 -16.888 -11.099 1.00 74.40 C ATOM 1416 CD2 PHE A 83 11.530 -18.763 -9.927 1.00 12.42 C ATOM 1417 CE1 PHE A 83 11.815 -17.321 -12.262 1.00 70.02 C ATOM 1418 CE2 PHE A 83 10.919 -19.200 -11.087 1.00 22.32 C ATOM 1419 CZ PHE A 83 11.061 -18.478 -12.256 1.00 31.04 C ATOM 0 H PHE A 83 11.293 -15.131 -9.739 1.00 24.21 H new ATOM 0 HA PHE A 83 13.126 -15.376 -7.430 1.00 13.41 H new ATOM 0 HB2 PHE A 83 13.996 -17.445 -8.665 1.00 31.40 H new ATOM 0 HB3 PHE A 83 12.479 -17.615 -7.804 1.00 31.40 H new ATOM 0 HD1 PHE A 83 13.012 -15.982 -11.110 1.00 74.40 H new ATOM 0 HD2 PHE A 83 11.415 -19.331 -9.016 1.00 12.42 H new ATOM 0 HE1 PHE A 83 11.929 -16.755 -13.175 1.00 70.02 H new ATOM 0 HE2 PHE A 83 10.331 -20.106 -11.080 1.00 22.32 H new ATOM 0 HZ PHE A 83 10.583 -18.818 -13.163 1.00 31.04 H new ATOM 1429 N PHE A 84 15.164 -15.389 -9.278 1.00 3.54 N ATOM 1430 CA PHE A 84 16.243 -14.824 -10.081 1.00 33.21 C ATOM 1431 C PHE A 84 17.330 -15.863 -10.339 1.00 72.40 C ATOM 1432 O PHE A 84 17.388 -16.896 -9.670 1.00 53.40 O ATOM 1433 CB PHE A 84 16.844 -13.604 -9.381 1.00 11.23 C ATOM 1434 CG PHE A 84 17.401 -13.908 -8.019 1.00 53.22 C ATOM 1435 CD1 PHE A 84 18.445 -14.806 -7.868 1.00 11.21 C ATOM 1436 CD2 PHE A 84 16.879 -13.296 -6.891 1.00 5.24 C ATOM 1437 CE1 PHE A 84 18.960 -15.087 -6.617 1.00 31.55 C ATOM 1438 CE2 PHE A 84 17.391 -13.573 -5.637 1.00 34.11 C ATOM 1439 CZ PHE A 84 18.431 -14.471 -5.499 1.00 43.05 C ATOM 0 H PHE A 84 15.451 -16.147 -8.659 1.00 3.54 H new ATOM 0 HA PHE A 84 15.825 -14.515 -11.039 1.00 33.21 H new ATOM 0 HB2 PHE A 84 17.637 -13.191 -10.005 1.00 11.23 H new ATOM 0 HB3 PHE A 84 16.078 -12.834 -9.288 1.00 11.23 H new ATOM 0 HD1 PHE A 84 18.861 -15.292 -8.738 1.00 11.21 H new ATOM 0 HD2 PHE A 84 16.064 -12.595 -6.992 1.00 5.24 H new ATOM 0 HE1 PHE A 84 19.775 -15.788 -6.513 1.00 31.55 H new ATOM 0 HE2 PHE A 84 16.978 -13.087 -4.765 1.00 34.11 H new ATOM 0 HZ PHE A 84 18.830 -14.691 -4.520 1.00 43.05 H new ATOM 1449 N ILE A 85 18.188 -15.583 -11.313 1.00 64.05 N ATOM 1450 CA ILE A 85 19.274 -16.492 -11.660 1.00 34.41 C ATOM 1451 C ILE A 85 20.595 -16.027 -11.057 1.00 54.31 C ATOM 1452 O ILE A 85 20.858 -14.828 -10.966 1.00 33.21 O ATOM 1453 CB ILE A 85 19.435 -16.620 -13.186 1.00 64.31 C ATOM 1454 CG1 ILE A 85 19.735 -15.254 -13.805 1.00 52.54 C ATOM 1455 CG2 ILE A 85 18.183 -17.224 -13.803 1.00 33.32 C ATOM 1456 CD1 ILE A 85 20.166 -15.328 -15.253 1.00 40.44 C ATOM 0 H ILE A 85 18.153 -14.734 -11.877 1.00 64.05 H new ATOM 0 HA ILE A 85 19.013 -17.467 -11.248 1.00 34.41 H new ATOM 0 HB ILE A 85 20.274 -17.284 -13.393 1.00 64.31 H new ATOM 0 HG12 ILE A 85 18.846 -14.627 -13.731 1.00 52.54 H new ATOM 0 HG13 ILE A 85 20.519 -14.766 -13.226 1.00 52.54 H new ATOM 0 HG21 ILE A 85 18.313 -17.308 -14.882 1.00 33.32 H new ATOM 0 HG22 ILE A 85 18.010 -18.214 -13.380 1.00 33.32 H new ATOM 0 HG23 ILE A 85 17.327 -16.584 -13.589 1.00 33.32 H new ATOM 0 HD11 ILE A 85 20.362 -14.323 -15.626 1.00 40.44 H new ATOM 0 HD12 ILE A 85 21.073 -15.928 -15.333 1.00 40.44 H new ATOM 0 HD13 ILE A 85 19.374 -15.787 -15.845 1.00 40.44 H new ATOM 1468 N GLU A 86 21.422 -16.983 -10.649 1.00 24.43 N ATOM 1469 CA GLU A 86 22.717 -16.670 -10.056 1.00 22.44 C ATOM 1470 C GLU A 86 23.560 -15.824 -11.005 1.00 2.10 C ATOM 1471 O GLU A 86 24.466 -15.107 -10.579 1.00 24.14 O ATOM 1472 CB GLU A 86 23.465 -17.957 -9.701 1.00 63.34 C ATOM 1473 CG GLU A 86 24.036 -18.682 -10.909 1.00 53.20 C ATOM 1474 CD GLU A 86 23.679 -20.155 -10.928 1.00 32.45 C ATOM 1475 OE1 GLU A 86 23.470 -20.730 -9.839 1.00 13.44 O ATOM 1476 OE2 GLU A 86 23.609 -20.734 -12.032 1.00 75.30 O ATOM 0 H GLU A 86 21.219 -17.980 -10.718 1.00 24.43 H new ATOM 0 HA GLU A 86 22.542 -16.097 -9.145 1.00 22.44 H new ATOM 0 HB2 GLU A 86 24.277 -17.718 -9.014 1.00 63.34 H new ATOM 0 HB3 GLU A 86 22.787 -18.627 -9.172 1.00 63.34 H new ATOM 0 HG2 GLU A 86 23.666 -18.211 -11.819 1.00 53.20 H new ATOM 0 HG3 GLU A 86 25.121 -18.575 -10.913 1.00 53.20 H new ATOM 1483 N THR A 87 23.256 -15.912 -12.296 1.00 72.41 N ATOM 1484 CA THR A 87 23.985 -15.157 -13.307 1.00 22.21 C ATOM 1485 C THR A 87 23.576 -13.689 -13.298 1.00 3.24 C ATOM 1486 O THR A 87 24.196 -12.858 -13.962 1.00 11.20 O ATOM 1487 CB THR A 87 23.753 -15.734 -14.716 1.00 34.30 C ATOM 1488 OG1 THR A 87 22.843 -16.838 -14.649 1.00 54.03 O ATOM 1489 CG2 THR A 87 25.064 -16.189 -15.338 1.00 3.10 C ATOM 0 H THR A 87 22.509 -16.499 -12.666 1.00 72.41 H new ATOM 0 HA THR A 87 25.043 -15.238 -13.059 1.00 22.21 H new ATOM 0 HB THR A 87 23.327 -14.949 -15.340 1.00 34.30 H new ATOM 0 HG1 THR A 87 22.699 -17.198 -15.549 1.00 54.03 H new ATOM 0 HG21 THR A 87 24.874 -16.593 -16.333 1.00 3.10 H new ATOM 0 HG22 THR A 87 25.744 -15.341 -15.414 1.00 3.10 H new ATOM 0 HG23 THR A 87 25.515 -16.960 -14.713 1.00 3.10 H new ATOM 1497 N ASP A 88 22.531 -13.376 -12.541 1.00 14.44 N ATOM 1498 CA ASP A 88 22.040 -12.006 -12.444 1.00 11.35 C ATOM 1499 C ASP A 88 22.419 -11.387 -11.102 1.00 13.43 C ATOM 1500 O ASP A 88 22.385 -10.167 -10.938 1.00 55.44 O ATOM 1501 CB ASP A 88 20.522 -11.971 -12.625 1.00 34.23 C ATOM 1502 CG ASP A 88 20.048 -10.701 -13.304 1.00 22.13 C ATOM 1503 OD1 ASP A 88 20.225 -9.613 -12.717 1.00 3.22 O ATOM 1504 OD2 ASP A 88 19.502 -10.795 -14.422 1.00 75.12 O ATOM 0 H ASP A 88 22.007 -14.052 -11.985 1.00 14.44 H new ATOM 0 HA ASP A 88 22.506 -11.422 -13.238 1.00 11.35 H new ATOM 0 HB2 ASP A 88 20.210 -12.833 -13.215 1.00 34.23 H new ATOM 0 HB3 ASP A 88 20.041 -12.060 -11.651 1.00 34.23 H new ATOM 1509 N ILE A 89 22.778 -12.235 -10.145 1.00 22.42 N ATOM 1510 CA ILE A 89 23.163 -11.771 -8.818 1.00 21.33 C ATOM 1511 C ILE A 89 24.669 -11.888 -8.610 1.00 23.00 C ATOM 1512 O ILE A 89 25.272 -11.086 -7.896 1.00 53.02 O ATOM 1513 CB ILE A 89 22.441 -12.564 -7.713 1.00 32.25 C ATOM 1514 CG1 ILE A 89 20.946 -12.669 -8.024 1.00 24.34 C ATOM 1515 CG2 ILE A 89 22.661 -11.906 -6.359 1.00 33.14 C ATOM 1516 CD1 ILE A 89 20.238 -11.333 -8.042 1.00 33.02 C ATOM 0 H ILE A 89 22.810 -13.248 -10.264 1.00 22.42 H new ATOM 0 HA ILE A 89 22.870 -10.723 -8.753 1.00 21.33 H new ATOM 0 HB ILE A 89 22.857 -13.571 -7.678 1.00 32.25 H new ATOM 0 HG12 ILE A 89 20.818 -13.152 -8.993 1.00 24.34 H new ATOM 0 HG13 ILE A 89 20.473 -13.312 -7.282 1.00 24.34 H new ATOM 0 HG21 ILE A 89 22.145 -12.478 -5.588 1.00 33.14 H new ATOM 0 HG22 ILE A 89 23.728 -11.878 -6.137 1.00 33.14 H new ATOM 0 HG23 ILE A 89 22.269 -10.889 -6.380 1.00 33.14 H new ATOM 0 HD11 ILE A 89 19.183 -11.484 -8.269 1.00 33.02 H new ATOM 0 HD12 ILE A 89 20.335 -10.857 -7.066 1.00 33.02 H new ATOM 0 HD13 ILE A 89 20.685 -10.694 -8.804 1.00 33.02 H new ATOM 1528 N ARG A 90 25.272 -12.891 -9.240 1.00 30.12 N ATOM 1529 CA ARG A 90 26.708 -13.113 -9.125 1.00 4.43 C ATOM 1530 C ARG A 90 27.480 -11.824 -9.392 1.00 44.13 C ATOM 1531 O ARG A 90 28.228 -11.332 -8.547 1.00 20.23 O ATOM 1532 CB ARG A 90 27.158 -14.201 -10.101 1.00 70.21 C ATOM 1533 CG ARG A 90 28.585 -14.025 -10.595 1.00 14.11 C ATOM 1534 CD ARG A 90 29.165 -15.336 -11.100 1.00 23.41 C ATOM 1535 NE ARG A 90 28.974 -15.502 -12.538 1.00 52.03 N ATOM 1536 CZ ARG A 90 29.738 -14.916 -13.454 1.00 14.14 C ATOM 1537 NH1 ARG A 90 30.739 -14.131 -13.082 1.00 0.50 N ATOM 1538 NH2 ARG A 90 29.500 -15.116 -14.744 1.00 5.52 N ATOM 0 H ARG A 90 24.788 -13.563 -9.835 1.00 30.12 H new ATOM 0 HA ARG A 90 26.919 -13.439 -8.107 1.00 4.43 H new ATOM 0 HB2 ARG A 90 27.068 -15.173 -9.615 1.00 70.21 H new ATOM 0 HB3 ARG A 90 26.484 -14.210 -10.958 1.00 70.21 H new ATOM 0 HG2 ARG A 90 28.606 -13.285 -11.395 1.00 14.11 H new ATOM 0 HG3 ARG A 90 29.206 -13.638 -9.787 1.00 14.11 H new ATOM 0 HD2 ARG A 90 30.230 -15.374 -10.869 1.00 23.41 H new ATOM 0 HD3 ARG A 90 28.695 -16.167 -10.574 1.00 23.41 H new ATOM 0 HE ARG A 90 28.212 -16.101 -12.857 1.00 52.03 H new ATOM 0 HH11 ARG A 90 30.924 -13.976 -12.091 1.00 0.50 H new ATOM 0 HH12 ARG A 90 31.324 -13.682 -13.787 1.00 0.50 H new ATOM 0 HH21 ARG A 90 28.730 -15.720 -15.033 1.00 5.52 H new ATOM 0 HH22 ARG A 90 30.087 -14.666 -15.447 1.00 5.52 H new ATOM 1552 N PRO A 91 27.297 -11.263 -10.597 1.00 32.12 N ATOM 1553 CA PRO A 91 27.967 -10.025 -11.004 1.00 2.31 C ATOM 1554 C PRO A 91 27.444 -8.807 -10.249 1.00 24.42 C ATOM 1555 O PRO A 91 27.829 -7.674 -10.537 1.00 71.50 O ATOM 1556 CB PRO A 91 27.633 -9.914 -12.494 1.00 4.24 C ATOM 1557 CG PRO A 91 26.362 -10.674 -12.655 1.00 2.34 C ATOM 1558 CD PRO A 91 26.420 -11.795 -11.654 1.00 3.40 C ATOM 0 HA PRO A 91 29.036 -10.052 -10.793 1.00 2.31 H new ATOM 0 HB2 PRO A 91 27.513 -8.874 -12.796 1.00 4.24 H new ATOM 0 HB3 PRO A 91 28.427 -10.336 -13.110 1.00 4.24 H new ATOM 0 HG2 PRO A 91 25.499 -10.034 -12.474 1.00 2.34 H new ATOM 0 HG3 PRO A 91 26.265 -11.061 -13.669 1.00 2.34 H new ATOM 0 HD2 PRO A 91 25.431 -12.042 -11.269 1.00 3.40 H new ATOM 0 HD3 PRO A 91 26.827 -12.706 -12.093 1.00 3.40 H new ATOM 1566 N MET A 92 26.566 -9.049 -9.281 1.00 62.31 N ATOM 1567 CA MET A 92 25.992 -7.972 -8.484 1.00 3.35 C ATOM 1568 C MET A 92 26.621 -7.929 -7.094 1.00 71.43 C ATOM 1569 O MET A 92 26.803 -6.857 -6.517 1.00 4.22 O ATOM 1570 CB MET A 92 24.477 -8.147 -8.365 1.00 61.14 C ATOM 1571 CG MET A 92 23.685 -7.202 -9.255 1.00 31.35 C ATOM 1572 SD MET A 92 22.233 -6.525 -8.428 1.00 54.21 S ATOM 1573 CE MET A 92 22.924 -5.050 -7.683 1.00 42.03 C ATOM 0 H MET A 92 26.237 -9.981 -9.030 1.00 62.31 H new ATOM 0 HA MET A 92 26.203 -7.029 -8.989 1.00 3.35 H new ATOM 0 HB2 MET A 92 24.217 -9.175 -8.618 1.00 61.14 H new ATOM 0 HB3 MET A 92 24.181 -7.990 -7.328 1.00 61.14 H new ATOM 0 HG2 MET A 92 24.330 -6.384 -9.576 1.00 31.35 H new ATOM 0 HG3 MET A 92 23.372 -7.732 -10.154 1.00 31.35 H new ATOM 0 HE1 MET A 92 22.145 -4.521 -7.134 1.00 42.03 H new ATOM 0 HE2 MET A 92 23.725 -5.329 -6.998 1.00 42.03 H new ATOM 0 HE3 MET A 92 23.323 -4.401 -8.463 1.00 42.03 H new ATOM 1583 N LEU A 93 26.950 -9.102 -6.563 1.00 14.42 N ATOM 1584 CA LEU A 93 27.558 -9.198 -5.240 1.00 71.43 C ATOM 1585 C LEU A 93 28.938 -8.549 -5.227 1.00 12.22 C ATOM 1586 O LEU A 93 29.069 -7.345 -5.445 1.00 10.32 O ATOM 1587 CB LEU A 93 27.667 -10.663 -4.814 1.00 20.34 C ATOM 1588 CG LEU A 93 26.348 -11.427 -4.692 1.00 11.05 C ATOM 1589 CD1 LEU A 93 26.605 -12.885 -4.345 1.00 64.35 C ATOM 1590 CD2 LEU A 93 25.451 -10.779 -3.646 1.00 64.24 C ATOM 0 H LEU A 93 26.806 -9.999 -7.028 1.00 14.42 H new ATOM 0 HA LEU A 93 26.920 -8.666 -4.534 1.00 71.43 H new ATOM 0 HB2 LEU A 93 28.300 -11.183 -5.533 1.00 20.34 H new ATOM 0 HB3 LEU A 93 28.178 -10.704 -3.852 1.00 20.34 H new ATOM 0 HG LEU A 93 25.838 -11.388 -5.655 1.00 11.05 H new ATOM 0 HD11 LEU A 93 25.655 -13.412 -4.262 1.00 64.35 H new ATOM 0 HD12 LEU A 93 27.208 -13.345 -5.128 1.00 64.35 H new ATOM 0 HD13 LEU A 93 27.137 -12.945 -3.395 1.00 64.35 H new ATOM 0 HD21 LEU A 93 24.517 -11.336 -3.573 1.00 64.24 H new ATOM 0 HD22 LEU A 93 25.955 -10.787 -2.680 1.00 64.24 H new ATOM 0 HD23 LEU A 93 25.238 -9.750 -3.936 1.00 64.24 H new ATOM 1602 N GLN A 94 29.963 -9.355 -4.971 1.00 42.14 N ATOM 1603 CA GLN A 94 31.333 -8.858 -4.931 1.00 45.13 C ATOM 1604 C GLN A 94 32.294 -9.859 -5.565 1.00 3.33 C ATOM 1605 O GLN A 94 32.152 -11.069 -5.387 1.00 2.44 O ATOM 1606 CB GLN A 94 31.753 -8.573 -3.488 1.00 61.22 C ATOM 1607 CG GLN A 94 31.861 -7.091 -3.167 1.00 32.31 C ATOM 1608 CD GLN A 94 33.057 -6.769 -2.293 1.00 41.03 C ATOM 1609 OE1 GLN A 94 33.986 -6.084 -2.721 1.00 42.52 O ATOM 1610 NE2 GLN A 94 33.040 -7.263 -1.061 1.00 5.33 N ATOM 0 H GLN A 94 29.871 -10.354 -4.788 1.00 42.14 H new ATOM 0 HA GLN A 94 31.373 -7.931 -5.503 1.00 45.13 H new ATOM 0 HB2 GLN A 94 31.032 -9.031 -2.811 1.00 61.22 H new ATOM 0 HB3 GLN A 94 32.715 -9.048 -3.298 1.00 61.22 H new ATOM 0 HG2 GLN A 94 31.932 -6.526 -4.096 1.00 32.31 H new ATOM 0 HG3 GLN A 94 30.950 -6.765 -2.665 1.00 32.31 H new ATOM 0 HE21 GLN A 94 32.249 -7.826 -0.748 1.00 5.33 H new ATOM 0 HE22 GLN A 94 33.818 -7.080 -0.427 1.00 5.33 H new ATOM 1619 N ASP A 95 33.271 -9.346 -6.305 1.00 23.34 N ATOM 1620 CA ASP A 95 34.257 -10.195 -6.964 1.00 74.24 C ATOM 1621 C ASP A 95 35.166 -10.869 -5.941 1.00 54.11 C ATOM 1622 O ASP A 95 35.746 -11.921 -6.210 1.00 2.25 O ATOM 1623 CB ASP A 95 35.094 -9.374 -7.946 1.00 13.41 C ATOM 1624 CG ASP A 95 34.239 -8.526 -8.867 1.00 50.42 C ATOM 1625 OD1 ASP A 95 33.678 -7.516 -8.393 1.00 34.21 O ATOM 1626 OD2 ASP A 95 34.131 -8.872 -10.062 1.00 53.14 O ATOM 0 H ASP A 95 33.401 -8.347 -6.464 1.00 23.34 H new ATOM 0 HA ASP A 95 33.722 -10.970 -7.514 1.00 74.24 H new ATOM 0 HB2 ASP A 95 35.773 -8.729 -7.389 1.00 13.41 H new ATOM 0 HB3 ASP A 95 35.711 -10.046 -8.543 1.00 13.41 H new ATOM 1631 N ARG A 96 35.285 -10.255 -4.768 1.00 72.24 N ATOM 1632 CA ARG A 96 36.125 -10.794 -3.706 1.00 30.41 C ATOM 1633 C ARG A 96 35.281 -11.514 -2.658 1.00 1.02 C ATOM 1634 O ARG A 96 35.807 -12.037 -1.674 1.00 53.20 O ATOM 1635 CB ARG A 96 36.931 -9.674 -3.046 1.00 31.12 C ATOM 1636 CG ARG A 96 36.092 -8.468 -2.657 1.00 12.02 C ATOM 1637 CD ARG A 96 36.617 -7.809 -1.391 1.00 31.02 C ATOM 1638 NE ARG A 96 36.534 -8.699 -0.236 1.00 11.22 N ATOM 1639 CZ ARG A 96 37.145 -8.462 0.920 1.00 64.35 C ATOM 1640 NH1 ARG A 96 37.880 -7.369 1.073 1.00 62.51 N ATOM 1641 NH2 ARG A 96 37.022 -9.320 1.925 1.00 51.23 N ATOM 0 H ARG A 96 34.810 -9.384 -4.530 1.00 72.24 H new ATOM 0 HA ARG A 96 36.813 -11.513 -4.151 1.00 30.41 H new ATOM 0 HB2 ARG A 96 37.422 -10.067 -2.156 1.00 31.12 H new ATOM 0 HB3 ARG A 96 37.718 -9.354 -3.729 1.00 31.12 H new ATOM 0 HG2 ARG A 96 36.093 -7.745 -3.472 1.00 12.02 H new ATOM 0 HG3 ARG A 96 35.058 -8.777 -2.506 1.00 12.02 H new ATOM 0 HD2 ARG A 96 37.653 -7.507 -1.542 1.00 31.02 H new ATOM 0 HD3 ARG A 96 36.047 -6.902 -1.191 1.00 31.02 H new ATOM 0 HE ARG A 96 35.977 -9.549 -0.321 1.00 11.22 H new ATOM 0 HH11 ARG A 96 37.977 -6.708 0.302 1.00 62.51 H new ATOM 0 HH12 ARG A 96 38.348 -7.189 1.961 1.00 62.51 H new ATOM 0 HH21 ARG A 96 36.458 -10.162 1.810 1.00 51.23 H new ATOM 0 HH22 ARG A 96 37.491 -9.137 2.812 1.00 51.23 H new ATOM 1655 N LEU A 97 33.971 -11.536 -2.875 1.00 33.54 N ATOM 1656 CA LEU A 97 33.053 -12.192 -1.949 1.00 1.52 C ATOM 1657 C LEU A 97 33.320 -13.692 -1.888 1.00 22.03 C ATOM 1658 O LEU A 97 32.912 -14.367 -0.942 1.00 63.15 O ATOM 1659 CB LEU A 97 31.605 -11.936 -2.369 1.00 73.44 C ATOM 1660 CG LEU A 97 30.527 -12.502 -1.444 1.00 24.35 C ATOM 1661 CD1 LEU A 97 30.850 -12.183 0.008 1.00 34.11 C ATOM 1662 CD2 LEU A 97 29.159 -11.955 -1.821 1.00 14.32 C ATOM 0 H LEU A 97 33.520 -11.108 -3.683 1.00 33.54 H new ATOM 0 HA LEU A 97 33.216 -11.773 -0.956 1.00 1.52 H new ATOM 0 HB2 LEU A 97 31.457 -10.859 -2.451 1.00 73.44 H new ATOM 0 HB3 LEU A 97 31.457 -12.354 -3.365 1.00 73.44 H new ATOM 0 HG LEU A 97 30.506 -13.585 -1.561 1.00 24.35 H new ATOM 0 HD11 LEU A 97 30.072 -12.593 0.652 1.00 34.11 H new ATOM 0 HD12 LEU A 97 31.811 -12.625 0.272 1.00 34.11 H new ATOM 0 HD13 LEU A 97 30.899 -11.102 0.141 1.00 34.11 H new ATOM 0 HD21 LEU A 97 28.405 -12.369 -1.152 1.00 14.32 H new ATOM 0 HD22 LEU A 97 29.165 -10.869 -1.733 1.00 14.32 H new ATOM 0 HD23 LEU A 97 28.926 -12.235 -2.848 1.00 14.32 H new ATOM 1674 N ARG A 98 34.009 -14.207 -2.901 1.00 2.11 N ATOM 1675 CA ARG A 98 34.332 -15.627 -2.962 1.00 32.42 C ATOM 1676 C ARG A 98 33.062 -16.472 -3.015 1.00 13.53 C ATOM 1677 O ARG A 98 31.963 -16.004 -2.713 1.00 63.23 O ATOM 1678 CB ARG A 98 35.176 -16.033 -1.752 1.00 43.33 C ATOM 1679 CG ARG A 98 36.671 -16.032 -2.026 1.00 4.34 C ATOM 1680 CD ARG A 98 37.347 -17.259 -1.434 1.00 74.34 C ATOM 1681 NE ARG A 98 38.800 -17.121 -1.398 1.00 50.34 N ATOM 1682 CZ ARG A 98 39.601 -17.948 -0.736 1.00 60.14 C ATOM 1683 NH1 ARG A 98 39.092 -18.968 -0.059 1.00 64.22 N ATOM 1684 NH2 ARG A 98 40.914 -17.756 -0.751 1.00 71.14 N ATOM 0 H ARG A 98 34.354 -13.662 -3.691 1.00 2.11 H new ATOM 0 HA ARG A 98 34.905 -15.804 -3.872 1.00 32.42 H new ATOM 0 HB2 ARG A 98 34.966 -15.352 -0.928 1.00 43.33 H new ATOM 0 HB3 ARG A 98 34.875 -17.029 -1.427 1.00 43.33 H new ATOM 0 HG2 ARG A 98 36.845 -16.003 -3.102 1.00 4.34 H new ATOM 0 HG3 ARG A 98 37.118 -15.131 -1.606 1.00 4.34 H new ATOM 0 HD2 ARG A 98 36.974 -17.426 -0.424 1.00 74.34 H new ATOM 0 HD3 ARG A 98 37.081 -18.138 -2.021 1.00 74.34 H new ATOM 0 HE ARG A 98 39.223 -16.347 -1.910 1.00 50.34 H new ATOM 0 HH11 ARG A 98 38.083 -19.119 -0.046 1.00 64.22 H new ATOM 0 HH12 ARG A 98 39.709 -19.602 0.449 1.00 64.22 H new ATOM 0 HH21 ARG A 98 41.309 -16.973 -1.271 1.00 71.14 H new ATOM 0 HH22 ARG A 98 41.528 -18.392 -0.242 1.00 71.14 H new ATOM 1698 N PRO A 99 33.213 -17.745 -3.407 1.00 63.14 N ATOM 1699 CA PRO A 99 32.090 -18.681 -3.509 1.00 72.13 C ATOM 1700 C PRO A 99 31.530 -19.066 -2.144 1.00 4.01 C ATOM 1701 O PRO A 99 31.664 -20.209 -1.707 1.00 65.14 O ATOM 1702 CB PRO A 99 32.706 -19.901 -4.198 1.00 21.41 C ATOM 1703 CG PRO A 99 34.156 -19.833 -3.864 1.00 43.41 C ATOM 1704 CD PRO A 99 34.493 -18.369 -3.782 1.00 23.42 C ATOM 0 HA PRO A 99 31.248 -18.249 -4.050 1.00 72.13 H new ATOM 0 HB2 PRO A 99 32.260 -20.827 -3.836 1.00 21.41 H new ATOM 0 HB3 PRO A 99 32.546 -19.870 -5.276 1.00 21.41 H new ATOM 0 HG2 PRO A 99 34.363 -20.335 -2.919 1.00 43.41 H new ATOM 0 HG3 PRO A 99 34.756 -20.330 -4.627 1.00 43.41 H new ATOM 0 HD2 PRO A 99 35.267 -18.176 -3.039 1.00 23.42 H new ATOM 0 HD3 PRO A 99 34.862 -17.988 -4.734 1.00 23.42 H new ATOM 1712 N SER A 100 30.903 -18.105 -1.474 1.00 55.44 N ATOM 1713 CA SER A 100 30.325 -18.342 -0.157 1.00 24.55 C ATOM 1714 C SER A 100 28.827 -18.612 -0.260 1.00 43.12 C ATOM 1715 O SER A 100 28.243 -19.276 0.597 1.00 44.32 O ATOM 1716 CB SER A 100 30.577 -17.142 0.758 1.00 21.20 C ATOM 1717 OG SER A 100 31.959 -16.836 0.829 1.00 31.11 O ATOM 0 H SER A 100 30.782 -17.154 -1.822 1.00 55.44 H new ATOM 0 HA SER A 100 30.806 -19.222 0.269 1.00 24.55 H new ATOM 0 HB2 SER A 100 30.028 -16.276 0.387 1.00 21.20 H new ATOM 0 HB3 SER A 100 30.197 -17.356 1.757 1.00 21.20 H new ATOM 0 HG SER A 100 32.154 -16.068 0.252 1.00 31.11 H new ATOM 1723 N PHE A 101 28.211 -18.092 -1.316 1.00 54.41 N ATOM 1724 CA PHE A 101 26.780 -18.274 -1.533 1.00 22.21 C ATOM 1725 C PHE A 101 26.401 -19.750 -1.447 1.00 10.35 C ATOM 1726 O PHE A 101 25.476 -20.123 -0.726 1.00 53.41 O ATOM 1727 CB PHE A 101 26.373 -17.710 -2.896 1.00 23.42 C ATOM 1728 CG PHE A 101 24.996 -17.111 -2.910 1.00 31.42 C ATOM 1729 CD1 PHE A 101 23.921 -17.800 -2.371 1.00 2.24 C ATOM 1730 CD2 PHE A 101 24.776 -15.860 -3.463 1.00 30.13 C ATOM 1731 CE1 PHE A 101 22.652 -17.251 -2.382 1.00 25.35 C ATOM 1732 CE2 PHE A 101 23.510 -15.306 -3.476 1.00 73.41 C ATOM 1733 CZ PHE A 101 22.446 -16.003 -2.936 1.00 25.30 C ATOM 0 H PHE A 101 28.680 -17.541 -2.035 1.00 54.41 H new ATOM 0 HA PHE A 101 26.247 -17.733 -0.751 1.00 22.21 H new ATOM 0 HB2 PHE A 101 27.094 -16.950 -3.196 1.00 23.42 H new ATOM 0 HB3 PHE A 101 26.422 -18.506 -3.639 1.00 23.42 H new ATOM 0 HD1 PHE A 101 24.076 -18.777 -1.937 1.00 2.24 H new ATOM 0 HD2 PHE A 101 25.603 -15.311 -3.889 1.00 30.13 H new ATOM 0 HE1 PHE A 101 21.823 -17.798 -1.958 1.00 25.35 H new ATOM 0 HE2 PHE A 101 23.352 -14.329 -3.908 1.00 73.41 H new ATOM 0 HZ PHE A 101 21.456 -15.573 -2.947 1.00 25.30 H new ATOM 1743 N ALA A 102 27.123 -20.584 -2.187 1.00 71.32 N ATOM 1744 CA ALA A 102 26.864 -22.019 -2.194 1.00 1.32 C ATOM 1745 C ALA A 102 26.885 -22.587 -0.779 1.00 1.01 C ATOM 1746 O ALA A 102 26.305 -23.640 -0.513 1.00 10.24 O ATOM 1747 CB ALA A 102 27.883 -22.735 -3.068 1.00 3.15 C ATOM 0 H ALA A 102 27.892 -20.291 -2.790 1.00 71.32 H new ATOM 0 HA ALA A 102 25.869 -22.182 -2.608 1.00 1.32 H new ATOM 0 HB1 ALA A 102 27.678 -23.805 -3.064 1.00 3.15 H new ATOM 0 HB2 ALA A 102 27.817 -22.357 -4.088 1.00 3.15 H new ATOM 0 HB3 ALA A 102 28.885 -22.556 -2.679 1.00 3.15 H new ATOM 1753 N LYS A 103 27.558 -21.884 0.126 1.00 71.11 N ATOM 1754 CA LYS A 103 27.655 -22.317 1.515 1.00 72.53 C ATOM 1755 C LYS A 103 26.585 -21.647 2.370 1.00 55.31 C ATOM 1756 O LYS A 103 26.222 -22.149 3.433 1.00 14.12 O ATOM 1757 CB LYS A 103 29.043 -21.999 2.074 1.00 22.22 C ATOM 1758 CG LYS A 103 30.035 -23.140 1.926 1.00 70.04 C ATOM 1759 CD LYS A 103 30.392 -23.382 0.469 1.00 45.13 C ATOM 1760 CE LYS A 103 31.686 -24.172 0.336 1.00 55.32 C ATOM 1761 NZ LYS A 103 31.502 -25.602 0.706 1.00 61.41 N ATOM 0 H LYS A 103 28.045 -21.011 -0.078 1.00 71.11 H new ATOM 0 HA LYS A 103 27.496 -23.395 1.545 1.00 72.53 H new ATOM 0 HB2 LYS A 103 29.437 -21.118 1.566 1.00 22.22 H new ATOM 0 HB3 LYS A 103 28.951 -21.744 3.130 1.00 22.22 H new ATOM 0 HG2 LYS A 103 30.939 -22.913 2.490 1.00 70.04 H new ATOM 0 HG3 LYS A 103 29.612 -24.049 2.354 1.00 70.04 H new ATOM 0 HD2 LYS A 103 29.582 -23.923 -0.020 1.00 45.13 H new ATOM 0 HD3 LYS A 103 30.493 -22.426 -0.046 1.00 45.13 H new ATOM 0 HE2 LYS A 103 32.048 -24.106 -0.690 1.00 55.32 H new ATOM 0 HE3 LYS A 103 32.450 -23.727 0.973 1.00 55.32 H new ATOM 0 HZ1 LYS A 103 32.406 -26.106 0.602 1.00 61.41 H new ATOM 0 HZ2 LYS A 103 31.181 -25.667 1.693 1.00 61.41 H new ATOM 0 HZ3 LYS A 103 30.791 -26.033 0.081 1.00 61.41 H new ATOM 1775 N ALA A 104 26.082 -20.510 1.898 1.00 64.53 N ATOM 1776 CA ALA A 104 25.051 -19.773 2.618 1.00 63.44 C ATOM 1777 C ALA A 104 23.660 -20.279 2.253 1.00 55.30 C ATOM 1778 O ALA A 104 22.691 -20.033 2.973 1.00 4.31 O ATOM 1779 CB ALA A 104 25.167 -18.284 2.328 1.00 61.34 C ATOM 0 H ALA A 104 26.372 -20.080 1.020 1.00 64.53 H new ATOM 0 HA ALA A 104 25.200 -19.936 3.685 1.00 63.44 H new ATOM 0 HB1 ALA A 104 24.391 -17.746 2.872 1.00 61.34 H new ATOM 0 HB2 ALA A 104 26.147 -17.927 2.645 1.00 61.34 H new ATOM 0 HB3 ALA A 104 25.047 -18.111 1.259 1.00 61.34 H new ATOM 1785 N ILE A 105 23.567 -20.985 1.131 1.00 14.32 N ATOM 1786 CA ILE A 105 22.293 -21.524 0.672 1.00 32.31 C ATOM 1787 C ILE A 105 21.555 -22.231 1.804 1.00 22.12 C ATOM 1788 O ILE A 105 20.384 -21.966 2.076 1.00 71.41 O ATOM 1789 CB ILE A 105 22.487 -22.511 -0.494 1.00 70.40 C ATOM 1790 CG1 ILE A 105 22.964 -21.770 -1.745 1.00 11.25 C ATOM 1791 CG2 ILE A 105 21.192 -23.259 -0.776 1.00 64.03 C ATOM 1792 CD1 ILE A 105 22.169 -20.519 -2.045 1.00 54.32 C ATOM 0 H ILE A 105 24.358 -21.197 0.523 1.00 14.32 H new ATOM 0 HA ILE A 105 21.699 -20.678 0.327 1.00 32.31 H new ATOM 0 HB ILE A 105 23.249 -23.237 -0.212 1.00 70.40 H new ATOM 0 HG12 ILE A 105 24.014 -21.503 -1.621 1.00 11.25 H new ATOM 0 HG13 ILE A 105 22.905 -22.443 -2.601 1.00 11.25 H new ATOM 0 HG21 ILE A 105 21.345 -23.953 -1.603 1.00 64.03 H new ATOM 0 HG22 ILE A 105 20.892 -23.814 0.113 1.00 64.03 H new ATOM 0 HG23 ILE A 105 20.410 -22.547 -1.040 1.00 64.03 H new ATOM 0 HD11 ILE A 105 22.562 -20.045 -2.945 1.00 54.32 H new ATOM 0 HD12 ILE A 105 21.123 -20.781 -2.201 1.00 54.32 H new ATOM 0 HD13 ILE A 105 22.249 -19.827 -1.206 1.00 54.32 H new ATOM 1804 N PRO A 106 22.256 -23.152 2.483 1.00 51.40 N ATOM 1805 CA PRO A 106 21.688 -23.914 3.599 1.00 64.21 C ATOM 1806 C PRO A 106 21.447 -23.048 4.830 1.00 4.41 C ATOM 1807 O PRO A 106 20.511 -23.285 5.595 1.00 64.15 O ATOM 1808 CB PRO A 106 22.759 -24.969 3.889 1.00 42.03 C ATOM 1809 CG PRO A 106 24.030 -24.363 3.401 1.00 54.05 C ATOM 1810 CD PRO A 106 23.656 -23.518 2.214 1.00 64.43 C ATOM 0 HA PRO A 106 20.713 -24.333 3.352 1.00 64.21 H new ATOM 0 HB2 PRO A 106 22.812 -25.197 4.954 1.00 42.03 H new ATOM 0 HB3 PRO A 106 22.543 -25.905 3.373 1.00 42.03 H new ATOM 0 HG2 PRO A 106 24.498 -23.759 4.178 1.00 54.05 H new ATOM 0 HG3 PRO A 106 24.748 -25.134 3.121 1.00 54.05 H new ATOM 0 HD2 PRO A 106 24.293 -22.637 2.131 1.00 64.43 H new ATOM 0 HD3 PRO A 106 23.754 -24.071 1.280 1.00 64.43 H new ATOM 1818 N CYS A 107 22.296 -22.043 5.016 1.00 43.01 N ATOM 1819 CA CYS A 107 22.175 -21.141 6.156 1.00 44.55 C ATOM 1820 C CYS A 107 21.009 -20.177 5.965 1.00 53.05 C ATOM 1821 O CYS A 107 20.521 -19.577 6.924 1.00 61.42 O ATOM 1822 CB CYS A 107 23.474 -20.356 6.351 1.00 34.24 C ATOM 1823 SG CYS A 107 24.971 -21.362 6.221 1.00 15.04 S ATOM 0 H CYS A 107 23.075 -21.832 4.392 1.00 43.01 H new ATOM 0 HA CYS A 107 21.984 -21.742 7.045 1.00 44.55 H new ATOM 0 HB2 CYS A 107 23.519 -19.559 5.609 1.00 34.24 H new ATOM 0 HB3 CYS A 107 23.454 -19.879 7.331 1.00 34.24 H new ATOM 0 HG CYS A 107 25.196 -21.646 4.972 1.00 15.04 H new ATOM 1829 N LEU A 108 20.566 -20.031 4.720 1.00 22.35 N ATOM 1830 CA LEU A 108 19.457 -19.139 4.403 1.00 50.35 C ATOM 1831 C LEU A 108 18.126 -19.881 4.465 1.00 52.21 C ATOM 1832 O LEU A 108 17.122 -19.337 4.926 1.00 21.54 O ATOM 1833 CB LEU A 108 19.649 -18.529 3.013 1.00 64.01 C ATOM 1834 CG LEU A 108 20.288 -17.140 2.972 1.00 63.42 C ATOM 1835 CD1 LEU A 108 19.311 -16.088 3.473 1.00 24.32 C ATOM 1836 CD2 LEU A 108 21.568 -17.118 3.795 1.00 43.45 C ATOM 0 H LEU A 108 20.958 -20.519 3.915 1.00 22.35 H new ATOM 0 HA LEU A 108 19.442 -18.341 5.145 1.00 50.35 H new ATOM 0 HB2 LEU A 108 20.264 -19.208 2.422 1.00 64.01 H new ATOM 0 HB3 LEU A 108 18.676 -18.474 2.525 1.00 64.01 H new ATOM 0 HG LEU A 108 20.541 -16.907 1.938 1.00 63.42 H new ATOM 0 HD11 LEU A 108 19.783 -15.106 3.437 1.00 24.32 H new ATOM 0 HD12 LEU A 108 18.422 -16.087 2.842 1.00 24.32 H new ATOM 0 HD13 LEU A 108 19.026 -16.316 4.500 1.00 24.32 H new ATOM 0 HD21 LEU A 108 22.009 -16.122 3.755 1.00 43.45 H new ATOM 0 HD22 LEU A 108 21.339 -17.372 4.830 1.00 43.45 H new ATOM 0 HD23 LEU A 108 22.273 -17.844 3.390 1.00 43.45 H new ATOM 1848 N ARG A 109 18.126 -21.126 3.999 1.00 12.53 N ATOM 1849 CA ARG A 109 16.918 -21.943 4.003 1.00 3.41 C ATOM 1850 C ARG A 109 16.671 -22.541 5.385 1.00 40.21 C ATOM 1851 O ARG A 109 15.526 -22.750 5.787 1.00 52.05 O ATOM 1852 CB ARG A 109 17.030 -23.060 2.964 1.00 31.13 C ATOM 1853 CG ARG A 109 18.209 -23.991 3.195 1.00 0.14 C ATOM 1854 CD ARG A 109 18.598 -24.724 1.921 1.00 21.02 C ATOM 1855 NE ARG A 109 17.475 -25.461 1.349 1.00 54.11 N ATOM 1856 CZ ARG A 109 17.029 -26.614 1.834 1.00 72.40 C ATOM 1857 NH1 ARG A 109 17.608 -27.159 2.895 1.00 70.31 N ATOM 1858 NH2 ARG A 109 16.001 -27.225 1.258 1.00 41.10 N ATOM 0 H ARG A 109 18.948 -21.591 3.614 1.00 12.53 H new ATOM 0 HA ARG A 109 16.074 -21.302 3.748 1.00 3.41 H new ATOM 0 HB2 ARG A 109 16.110 -23.644 2.971 1.00 31.13 H new ATOM 0 HB3 ARG A 109 17.118 -22.615 1.973 1.00 31.13 H new ATOM 0 HG2 ARG A 109 19.061 -23.417 3.561 1.00 0.14 H new ATOM 0 HG3 ARG A 109 17.956 -24.715 3.970 1.00 0.14 H new ATOM 0 HD2 ARG A 109 18.971 -24.007 1.190 1.00 21.02 H new ATOM 0 HD3 ARG A 109 19.414 -25.415 2.135 1.00 21.02 H new ATOM 0 HE ARG A 109 17.007 -25.069 0.532 1.00 54.11 H new ATOM 0 HH11 ARG A 109 18.398 -26.693 3.341 1.00 70.31 H new ATOM 0 HH12 ARG A 109 17.263 -28.045 3.265 1.00 70.31 H new ATOM 0 HH21 ARG A 109 15.553 -26.809 0.442 1.00 41.10 H new ATOM 0 HH22 ARG A 109 15.660 -28.111 1.632 1.00 41.10 H new ATOM 1872 N HIS A 110 17.752 -22.815 6.108 1.00 44.52 N ATOM 1873 CA HIS A 110 17.653 -23.389 7.445 1.00 50.21 C ATOM 1874 C HIS A 110 16.783 -22.518 8.347 1.00 61.23 C ATOM 1875 O HIS A 110 16.249 -22.989 9.351 1.00 15.33 O ATOM 1876 CB HIS A 110 19.044 -23.549 8.059 1.00 60.01 C ATOM 1877 CG HIS A 110 19.020 -23.977 9.494 1.00 13.30 C ATOM 1878 ND1 HIS A 110 18.868 -23.257 10.630 1.00 63.44 N flip ATOM 1879 CD2 HIS A 110 19.164 -25.289 9.891 1.00 0.40 C flip ATOM 1880 CE1 HIS A 110 18.922 -24.138 11.681 1.00 31.54 C flip ATOM 1881 NE2 HIS A 110 19.101 -25.358 11.208 1.00 30.34 N flip ATOM 0 H HIS A 110 18.707 -22.649 5.790 1.00 44.52 H new ATOM 0 HA HIS A 110 17.187 -24.371 7.358 1.00 50.21 H new ATOM 0 HB2 HIS A 110 19.606 -24.281 7.479 1.00 60.01 H new ATOM 0 HB3 HIS A 110 19.578 -22.602 7.980 1.00 60.01 H new ATOM 0 HD2 HIS A 110 19.306 -26.130 9.228 1.00 0.40 H new ATOM 0 HE1 HIS A 110 18.833 -23.876 12.725 1.00 31.54 H new ATOM 0 HE2 HIS A 110 19.178 -26.209 11.765 1.00 30.34 H new ATOM 1889 N ILE A 111 16.647 -21.248 7.982 1.00 51.13 N ATOM 1890 CA ILE A 111 15.842 -20.313 8.758 1.00 40.32 C ATOM 1891 C ILE A 111 14.512 -20.029 8.069 1.00 53.14 C ATOM 1892 O ILE A 111 13.627 -19.392 8.642 1.00 65.23 O ATOM 1893 CB ILE A 111 16.585 -18.982 8.983 1.00 71.53 C ATOM 1894 CG1 ILE A 111 17.189 -18.482 7.669 1.00 53.10 C ATOM 1895 CG2 ILE A 111 17.667 -19.152 10.039 1.00 70.14 C ATOM 1896 CD1 ILE A 111 17.876 -17.140 7.792 1.00 13.13 C ATOM 0 H ILE A 111 17.084 -20.843 7.154 1.00 51.13 H new ATOM 0 HA ILE A 111 15.655 -20.784 9.723 1.00 40.32 H new ATOM 0 HB ILE A 111 15.871 -18.239 9.339 1.00 71.53 H new ATOM 0 HG12 ILE A 111 17.907 -19.217 7.306 1.00 53.10 H new ATOM 0 HG13 ILE A 111 16.400 -18.410 6.920 1.00 53.10 H new ATOM 0 HG21 ILE A 111 18.183 -18.203 10.187 1.00 70.14 H new ATOM 0 HG22 ILE A 111 17.213 -19.468 10.978 1.00 70.14 H new ATOM 0 HG23 ILE A 111 18.382 -19.906 9.710 1.00 70.14 H new ATOM 0 HD11 ILE A 111 18.280 -16.848 6.823 1.00 13.13 H new ATOM 0 HD12 ILE A 111 17.156 -16.392 8.125 1.00 13.13 H new ATOM 0 HD13 ILE A 111 18.687 -17.211 8.517 1.00 13.13 H new ATOM 1908 N ARG A 112 14.376 -20.507 6.836 1.00 63.10 N ATOM 1909 CA ARG A 112 13.153 -20.305 6.068 1.00 23.44 C ATOM 1910 C ARG A 112 13.017 -18.849 5.635 1.00 2.44 C ATOM 1911 O ARG A 112 12.005 -18.202 5.906 1.00 21.14 O ATOM 1912 CB ARG A 112 11.934 -20.719 6.894 1.00 73.42 C ATOM 1913 CG ARG A 112 12.116 -22.035 7.632 1.00 61.51 C ATOM 1914 CD ARG A 112 12.352 -23.187 6.667 1.00 34.23 C ATOM 1915 NE ARG A 112 11.273 -23.313 5.691 1.00 12.11 N ATOM 1916 CZ ARG A 112 10.057 -23.755 5.992 1.00 30.32 C ATOM 1917 NH1 ARG A 112 9.767 -24.112 7.236 1.00 52.12 N ATOM 1918 NH2 ARG A 112 9.128 -23.841 5.048 1.00 23.24 N ATOM 0 H ARG A 112 15.098 -21.037 6.348 1.00 63.10 H new ATOM 0 HA ARG A 112 13.207 -20.927 5.175 1.00 23.44 H new ATOM 0 HB2 ARG A 112 11.713 -19.934 7.617 1.00 73.42 H new ATOM 0 HB3 ARG A 112 11.069 -20.798 6.235 1.00 73.42 H new ATOM 0 HG2 ARG A 112 12.959 -21.955 8.318 1.00 61.51 H new ATOM 0 HG3 ARG A 112 11.232 -22.240 8.236 1.00 61.51 H new ATOM 0 HD2 ARG A 112 13.297 -23.035 6.145 1.00 34.23 H new ATOM 0 HD3 ARG A 112 12.444 -24.117 7.228 1.00 34.23 H new ATOM 0 HE ARG A 112 11.464 -23.047 4.725 1.00 12.11 H new ATOM 0 HH11 ARG A 112 10.478 -24.047 7.964 1.00 52.12 H new ATOM 0 HH12 ARG A 112 8.833 -24.451 7.465 1.00 52.12 H new ATOM 0 HH21 ARG A 112 9.347 -23.568 4.090 1.00 23.24 H new ATOM 0 HH22 ARG A 112 8.195 -24.181 5.280 1.00 23.24 H new ATOM 1932 N ARG A 113 14.043 -18.338 4.962 1.00 21.40 N ATOM 1933 CA ARG A 113 14.039 -16.958 4.493 1.00 13.13 C ATOM 1934 C ARG A 113 13.992 -16.901 2.969 1.00 32.42 C ATOM 1935 O ARG A 113 13.457 -15.955 2.390 1.00 65.33 O ATOM 1936 CB ARG A 113 15.278 -16.220 5.004 1.00 55.42 C ATOM 1937 CG ARG A 113 15.394 -14.795 4.486 1.00 21.32 C ATOM 1938 CD ARG A 113 14.400 -13.871 5.171 1.00 2.52 C ATOM 1939 NE ARG A 113 14.948 -13.286 6.393 1.00 60.54 N ATOM 1940 CZ ARG A 113 14.216 -12.632 7.287 1.00 54.23 C ATOM 1941 NH1 ARG A 113 12.912 -12.479 7.097 1.00 4.11 N ATOM 1942 NH2 ARG A 113 14.787 -12.129 8.374 1.00 52.23 N ATOM 0 H ARG A 113 14.888 -18.860 4.729 1.00 21.40 H new ATOM 0 HA ARG A 113 13.146 -16.470 4.885 1.00 13.13 H new ATOM 0 HB2 ARG A 113 15.256 -16.201 6.094 1.00 55.42 H new ATOM 0 HB3 ARG A 113 16.168 -16.777 4.713 1.00 55.42 H new ATOM 0 HG2 ARG A 113 16.407 -14.428 4.651 1.00 21.32 H new ATOM 0 HG3 ARG A 113 15.222 -14.783 3.410 1.00 21.32 H new ATOM 0 HD2 ARG A 113 14.113 -13.074 4.485 1.00 2.52 H new ATOM 0 HD3 ARG A 113 13.494 -14.427 5.410 1.00 2.52 H new ATOM 0 HE ARG A 113 15.948 -13.386 6.569 1.00 60.54 H new ATOM 0 HH11 ARG A 113 12.470 -12.864 6.263 1.00 4.11 H new ATOM 0 HH12 ARG A 113 12.352 -11.976 7.785 1.00 4.11 H new ATOM 0 HH21 ARG A 113 15.789 -12.245 8.523 1.00 52.23 H new ATOM 0 HH22 ARG A 113 14.224 -11.627 9.060 1.00 52.23 H new ATOM 1956 N ILE A 114 14.555 -17.919 2.327 1.00 74.30 N ATOM 1957 CA ILE A 114 14.576 -17.985 0.871 1.00 22.30 C ATOM 1958 C ILE A 114 14.580 -19.431 0.386 1.00 24.13 C ATOM 1959 O ILE A 114 14.553 -20.365 1.188 1.00 64.24 O ATOM 1960 CB ILE A 114 15.805 -17.258 0.293 1.00 75.13 C ATOM 1961 CG1 ILE A 114 17.077 -18.060 0.573 1.00 45.43 C ATOM 1962 CG2 ILE A 114 15.915 -15.858 0.877 1.00 54.31 C ATOM 1963 CD1 ILE A 114 17.550 -18.876 -0.610 1.00 11.10 C ATOM 0 H ILE A 114 15.002 -18.709 2.792 1.00 74.30 H new ATOM 0 HA ILE A 114 13.671 -17.489 0.519 1.00 22.30 H new ATOM 0 HB ILE A 114 15.683 -17.171 -0.787 1.00 75.13 H new ATOM 0 HG12 ILE A 114 17.870 -17.375 0.872 1.00 45.43 H new ATOM 0 HG13 ILE A 114 16.898 -18.727 1.416 1.00 45.43 H new ATOM 0 HG21 ILE A 114 16.788 -15.357 0.459 1.00 54.31 H new ATOM 0 HG22 ILE A 114 15.018 -15.290 0.631 1.00 54.31 H new ATOM 0 HG23 ILE A 114 16.018 -15.923 1.960 1.00 54.31 H new ATOM 0 HD11 ILE A 114 18.456 -19.418 -0.339 1.00 11.10 H new ATOM 0 HD12 ILE A 114 16.774 -19.586 -0.896 1.00 11.10 H new ATOM 0 HD13 ILE A 114 17.762 -18.212 -1.448 1.00 11.10 H new ATOM 1975 N ARG A 115 14.616 -19.608 -0.930 1.00 42.25 N ATOM 1976 CA ARG A 115 14.625 -20.940 -1.523 1.00 12.04 C ATOM 1977 C ARG A 115 15.591 -21.005 -2.702 1.00 0.42 C ATOM 1978 O ARG A 115 16.115 -19.983 -3.143 1.00 5.42 O ATOM 1979 CB ARG A 115 13.217 -21.327 -1.981 1.00 4.32 C ATOM 1980 CG ARG A 115 12.312 -21.784 -0.849 1.00 25.44 C ATOM 1981 CD ARG A 115 11.509 -23.015 -1.240 1.00 42.32 C ATOM 1982 NE ARG A 115 11.313 -23.922 -0.113 1.00 23.13 N ATOM 1983 CZ ARG A 115 10.894 -25.176 -0.243 1.00 15.34 C ATOM 1984 NH1 ARG A 115 10.627 -25.668 -1.445 1.00 24.15 N ATOM 1985 NH2 ARG A 115 10.740 -25.940 0.831 1.00 13.23 N ATOM 0 H ARG A 115 14.639 -18.845 -1.607 1.00 42.25 H new ATOM 0 HA ARG A 115 14.960 -21.646 -0.763 1.00 12.04 H new ATOM 0 HB2 ARG A 115 12.759 -20.473 -2.479 1.00 4.32 H new ATOM 0 HB3 ARG A 115 13.291 -22.125 -2.720 1.00 4.32 H new ATOM 0 HG2 ARG A 115 12.914 -22.006 0.032 1.00 25.44 H new ATOM 0 HG3 ARG A 115 11.633 -20.977 -0.576 1.00 25.44 H new ATOM 0 HD2 ARG A 115 10.539 -22.706 -1.629 1.00 42.32 H new ATOM 0 HD3 ARG A 115 12.022 -23.542 -2.044 1.00 42.32 H new ATOM 0 HE ARG A 115 11.508 -23.574 0.826 1.00 23.13 H new ATOM 0 HH11 ARG A 115 10.743 -25.083 -2.273 1.00 24.15 H new ATOM 0 HH12 ARG A 115 10.305 -26.631 -1.542 1.00 24.15 H new ATOM 0 HH21 ARG A 115 10.943 -25.565 1.757 1.00 13.23 H new ATOM 0 HH22 ARG A 115 10.418 -26.903 0.730 1.00 13.23 H new ATOM 1999 N GLU A 116 15.821 -22.213 -3.206 1.00 41.23 N ATOM 2000 CA GLU A 116 16.725 -22.410 -4.333 1.00 43.22 C ATOM 2001 C GLU A 116 16.285 -23.599 -5.183 1.00 11.52 C ATOM 2002 O GLU A 116 16.052 -24.691 -4.666 1.00 53.41 O ATOM 2003 CB GLU A 116 18.156 -22.627 -3.836 1.00 0.41 C ATOM 2004 CG GLU A 116 18.232 -23.260 -2.457 1.00 33.11 C ATOM 2005 CD GLU A 116 18.166 -22.236 -1.340 1.00 64.32 C ATOM 2006 OE1 GLU A 116 18.965 -21.276 -1.369 1.00 74.12 O ATOM 2007 OE2 GLU A 116 17.318 -22.395 -0.438 1.00 22.13 O ATOM 0 H GLU A 116 15.394 -23.069 -2.852 1.00 41.23 H new ATOM 0 HA GLU A 116 16.694 -21.512 -4.951 1.00 43.22 H new ATOM 0 HB2 GLU A 116 18.686 -23.260 -4.547 1.00 0.41 H new ATOM 0 HB3 GLU A 116 18.674 -21.668 -3.815 1.00 0.41 H new ATOM 0 HG2 GLU A 116 17.414 -23.971 -2.342 1.00 33.11 H new ATOM 0 HG3 GLU A 116 19.160 -23.826 -2.372 1.00 33.11 H new ATOM 2014 N GLU A 117 16.173 -23.376 -6.489 1.00 22.14 N ATOM 2015 CA GLU A 117 15.759 -24.428 -7.409 1.00 64.34 C ATOM 2016 C GLU A 117 16.869 -24.745 -8.408 1.00 23.24 C ATOM 2017 O GLU A 117 17.120 -23.979 -9.338 1.00 15.42 O ATOM 2018 CB GLU A 117 14.490 -24.013 -8.156 1.00 61.12 C ATOM 2019 CG GLU A 117 13.787 -25.168 -8.850 1.00 13.34 C ATOM 2020 CD GLU A 117 12.489 -25.554 -8.168 1.00 34.13 C ATOM 2021 OE1 GLU A 117 11.600 -24.684 -8.049 1.00 21.45 O ATOM 2022 OE2 GLU A 117 12.361 -26.725 -7.753 1.00 40.03 O ATOM 0 H GLU A 117 16.363 -22.477 -6.933 1.00 22.14 H new ATOM 0 HA GLU A 117 15.552 -25.325 -6.825 1.00 64.34 H new ATOM 0 HB2 GLU A 117 13.799 -23.549 -7.452 1.00 61.12 H new ATOM 0 HB3 GLU A 117 14.746 -23.256 -8.897 1.00 61.12 H new ATOM 0 HG2 GLU A 117 13.582 -24.895 -9.885 1.00 13.34 H new ATOM 0 HG3 GLU A 117 14.452 -26.032 -8.874 1.00 13.34 H new ATOM 2029 N ARG A 118 17.532 -25.880 -8.207 1.00 14.24 N ATOM 2030 CA ARG A 118 18.616 -26.298 -9.087 1.00 52.21 C ATOM 2031 C ARG A 118 18.073 -26.764 -10.435 1.00 12.32 C ATOM 2032 O ARG A 118 17.528 -27.863 -10.550 1.00 4.54 O ATOM 2033 CB ARG A 118 19.426 -27.420 -8.436 1.00 60.30 C ATOM 2034 CG ARG A 118 20.201 -28.268 -9.431 1.00 63.03 C ATOM 2035 CD ARG A 118 21.083 -27.411 -10.326 1.00 10.44 C ATOM 2036 NE ARG A 118 22.348 -28.069 -10.640 1.00 5.55 N ATOM 2037 CZ ARG A 118 23.332 -28.226 -9.761 1.00 64.51 C ATOM 2038 NH1 ARG A 118 23.197 -27.777 -8.521 1.00 42.43 N ATOM 2039 NH2 ARG A 118 24.454 -28.836 -10.122 1.00 43.03 N ATOM 0 H ARG A 118 17.337 -26.526 -7.442 1.00 14.24 H new ATOM 0 HA ARG A 118 19.266 -25.439 -9.254 1.00 52.21 H new ATOM 0 HB2 ARG A 118 20.124 -26.985 -7.721 1.00 60.30 H new ATOM 0 HB3 ARG A 118 18.751 -28.063 -7.871 1.00 60.30 H new ATOM 0 HG2 ARG A 118 20.817 -28.989 -8.894 1.00 63.03 H new ATOM 0 HG3 ARG A 118 19.504 -28.839 -10.044 1.00 63.03 H new ATOM 0 HD2 ARG A 118 20.552 -27.187 -11.251 1.00 10.44 H new ATOM 0 HD3 ARG A 118 21.282 -26.459 -9.834 1.00 10.44 H new ATOM 0 HE ARG A 118 22.484 -28.428 -11.585 1.00 5.55 H new ATOM 0 HH11 ARG A 118 22.336 -27.309 -8.239 1.00 42.43 H new ATOM 0 HH12 ARG A 118 23.955 -27.899 -7.849 1.00 42.43 H new ATOM 0 HH21 ARG A 118 24.561 -29.185 -11.075 1.00 43.03 H new ATOM 0 HH22 ARG A 118 25.209 -28.956 -9.447 1.00 43.03 H new ATOM 2053 N CYS A 119 18.224 -25.921 -11.451 1.00 21.43 N ATOM 2054 CA CYS A 119 17.748 -26.246 -12.791 1.00 32.04 C ATOM 2055 C CYS A 119 18.896 -26.233 -13.794 1.00 43.20 C ATOM 2056 O CYS A 119 19.110 -25.245 -14.495 1.00 61.04 O ATOM 2057 CB CYS A 119 16.665 -25.256 -13.223 1.00 61.32 C ATOM 2058 SG CYS A 119 15.425 -24.917 -11.952 1.00 53.12 S ATOM 0 H CYS A 119 18.672 -25.008 -11.372 1.00 21.43 H new ATOM 0 HA CYS A 119 17.324 -27.250 -12.766 1.00 32.04 H new ATOM 0 HB2 CYS A 119 17.140 -24.318 -13.512 1.00 61.32 H new ATOM 0 HB3 CYS A 119 16.164 -25.646 -14.109 1.00 61.32 H new ATOM 0 HG CYS A 119 15.333 -23.634 -11.767 1.00 53.12 H new ATOM 2064 N GLY A 120 19.635 -27.337 -13.855 1.00 74.14 N ATOM 2065 CA GLY A 120 20.754 -27.431 -14.774 1.00 52.15 C ATOM 2066 C GLY A 120 21.886 -26.493 -14.407 1.00 2.22 C ATOM 2067 O GLY A 120 22.218 -26.315 -13.234 1.00 54.15 O ATOM 0 H GLY A 120 19.478 -28.168 -13.284 1.00 74.14 H new ATOM 0 HA2 GLY A 120 21.125 -28.456 -14.786 1.00 52.15 H new ATOM 0 HA3 GLY A 120 20.411 -27.204 -15.783 1.00 52.15 H new ATOM 2071 N PRO A 121 22.502 -25.874 -15.425 1.00 71.44 N ATOM 2072 CA PRO A 121 23.614 -24.940 -15.228 1.00 61.02 C ATOM 2073 C PRO A 121 23.167 -23.635 -14.578 1.00 32.31 C ATOM 2074 O PRO A 121 23.972 -22.728 -14.365 1.00 50.22 O ATOM 2075 CB PRO A 121 24.118 -24.683 -16.651 1.00 21.34 C ATOM 2076 CG PRO A 121 22.939 -24.945 -17.523 1.00 64.32 C ATOM 2077 CD PRO A 121 22.159 -26.039 -16.848 1.00 64.30 C ATOM 0 HA PRO A 121 24.373 -25.346 -14.559 1.00 61.02 H new ATOM 0 HB2 PRO A 121 24.476 -23.660 -16.766 1.00 21.34 H new ATOM 0 HB3 PRO A 121 24.950 -25.341 -16.901 1.00 21.34 H new ATOM 0 HG2 PRO A 121 22.332 -24.047 -17.638 1.00 64.32 H new ATOM 0 HG3 PRO A 121 23.252 -25.248 -18.522 1.00 64.32 H new ATOM 0 HD2 PRO A 121 21.088 -25.932 -17.018 1.00 64.30 H new ATOM 0 HD3 PRO A 121 22.444 -27.024 -17.219 1.00 64.30 H new ATOM 2085 N LEU A 122 21.879 -23.547 -14.264 1.00 21.52 N ATOM 2086 CA LEU A 122 21.324 -22.353 -13.637 1.00 3.14 C ATOM 2087 C LEU A 122 20.753 -22.676 -12.260 1.00 30.23 C ATOM 2088 O LEU A 122 20.700 -23.838 -11.854 1.00 55.12 O ATOM 2089 CB LEU A 122 20.236 -21.746 -14.523 1.00 73.14 C ATOM 2090 CG LEU A 122 20.634 -21.453 -15.970 1.00 64.32 C ATOM 2091 CD1 LEU A 122 19.510 -21.834 -16.921 1.00 64.22 C ATOM 2092 CD2 LEU A 122 21.001 -19.986 -16.136 1.00 2.32 C ATOM 0 H LEU A 122 21.200 -24.289 -14.434 1.00 21.52 H new ATOM 0 HA LEU A 122 22.130 -21.629 -13.515 1.00 3.14 H new ATOM 0 HB2 LEU A 122 19.383 -22.424 -14.532 1.00 73.14 H new ATOM 0 HB3 LEU A 122 19.899 -20.816 -14.065 1.00 73.14 H new ATOM 0 HG LEU A 122 21.509 -22.056 -16.215 1.00 64.32 H new ATOM 0 HD11 LEU A 122 19.812 -21.618 -17.946 1.00 64.22 H new ATOM 0 HD12 LEU A 122 19.295 -22.898 -16.822 1.00 64.22 H new ATOM 0 HD13 LEU A 122 18.617 -21.259 -16.677 1.00 64.22 H new ATOM 0 HD21 LEU A 122 21.282 -19.796 -17.172 1.00 2.32 H new ATOM 0 HD22 LEU A 122 20.145 -19.365 -15.872 1.00 2.32 H new ATOM 0 HD23 LEU A 122 21.840 -19.745 -15.483 1.00 2.32 H new ATOM 2104 N THR A 123 20.324 -21.641 -11.544 1.00 43.24 N ATOM 2105 CA THR A 123 19.756 -21.814 -10.214 1.00 33.12 C ATOM 2106 C THR A 123 18.827 -20.659 -9.858 1.00 74.11 C ATOM 2107 O THR A 123 19.230 -19.496 -9.877 1.00 62.13 O ATOM 2108 CB THR A 123 20.857 -21.921 -9.142 1.00 32.11 C ATOM 2109 OG1 THR A 123 21.878 -22.825 -9.577 1.00 43.05 O ATOM 2110 CG2 THR A 123 20.279 -22.400 -7.819 1.00 21.13 C ATOM 0 H THR A 123 20.360 -20.673 -11.864 1.00 43.24 H new ATOM 0 HA THR A 123 19.186 -22.743 -10.233 1.00 33.12 H new ATOM 0 HB THR A 123 21.288 -20.931 -8.995 1.00 32.11 H new ATOM 0 HG1 THR A 123 22.713 -22.332 -9.720 1.00 43.05 H new ATOM 0 HG21 THR A 123 21.075 -22.468 -7.077 1.00 21.13 H new ATOM 0 HG22 THR A 123 19.522 -21.694 -7.476 1.00 21.13 H new ATOM 0 HG23 THR A 123 19.825 -23.382 -7.954 1.00 21.13 H new ATOM 2118 N PHE A 124 17.580 -20.987 -9.533 1.00 5.21 N ATOM 2119 CA PHE A 124 16.593 -19.976 -9.173 1.00 3.32 C ATOM 2120 C PHE A 124 16.528 -19.794 -7.659 1.00 61.11 C ATOM 2121 O PHE A 124 17.001 -20.640 -6.900 1.00 63.54 O ATOM 2122 CB PHE A 124 15.215 -20.364 -9.711 1.00 54.00 C ATOM 2123 CG PHE A 124 15.178 -20.525 -11.204 1.00 15.11 C ATOM 2124 CD1 PHE A 124 15.851 -21.568 -11.818 1.00 60.34 C ATOM 2125 CD2 PHE A 124 14.469 -19.633 -11.993 1.00 33.23 C ATOM 2126 CE1 PHE A 124 15.819 -21.718 -13.192 1.00 21.11 C ATOM 2127 CE2 PHE A 124 14.433 -19.778 -13.367 1.00 32.22 C ATOM 2128 CZ PHE A 124 15.108 -20.823 -13.967 1.00 41.20 C ATOM 0 H PHE A 124 17.230 -21.945 -9.512 1.00 5.21 H new ATOM 0 HA PHE A 124 16.898 -19.031 -9.622 1.00 3.32 H new ATOM 0 HB2 PHE A 124 14.902 -21.298 -9.245 1.00 54.00 H new ATOM 0 HB3 PHE A 124 14.492 -19.603 -9.418 1.00 54.00 H new ATOM 0 HD1 PHE A 124 16.407 -22.272 -11.217 1.00 60.34 H new ATOM 0 HD2 PHE A 124 13.938 -18.815 -11.529 1.00 33.23 H new ATOM 0 HE1 PHE A 124 16.350 -22.535 -13.659 1.00 21.11 H new ATOM 0 HE2 PHE A 124 13.878 -19.075 -13.971 1.00 32.22 H new ATOM 0 HZ PHE A 124 15.080 -20.940 -15.040 1.00 41.20 H new ATOM 2138 N TYR A 125 15.939 -18.684 -7.228 1.00 23.45 N ATOM 2139 CA TYR A 125 15.814 -18.389 -5.805 1.00 64.11 C ATOM 2140 C TYR A 125 14.571 -17.548 -5.530 1.00 65.14 C ATOM 2141 O TYR A 125 14.452 -16.421 -6.011 1.00 51.12 O ATOM 2142 CB TYR A 125 17.060 -17.657 -5.304 1.00 2.15 C ATOM 2143 CG TYR A 125 18.351 -18.389 -5.594 1.00 31.00 C ATOM 2144 CD1 TYR A 125 18.997 -18.242 -6.815 1.00 55.14 C ATOM 2145 CD2 TYR A 125 18.925 -19.227 -4.646 1.00 62.32 C ATOM 2146 CE1 TYR A 125 20.175 -18.910 -7.085 1.00 44.41 C ATOM 2147 CE2 TYR A 125 20.105 -19.898 -4.907 1.00 13.22 C ATOM 2148 CZ TYR A 125 20.726 -19.736 -6.128 1.00 34.13 C ATOM 2149 OH TYR A 125 21.901 -20.402 -6.392 1.00 54.21 O ATOM 0 H TYR A 125 15.541 -17.974 -7.843 1.00 23.45 H new ATOM 0 HA TYR A 125 15.716 -19.334 -5.271 1.00 64.11 H new ATOM 0 HB2 TYR A 125 17.101 -16.670 -5.764 1.00 2.15 H new ATOM 0 HB3 TYR A 125 16.973 -17.504 -4.228 1.00 2.15 H new ATOM 0 HD1 TYR A 125 18.570 -17.594 -7.566 1.00 55.14 H new ATOM 0 HD2 TYR A 125 18.441 -19.356 -3.689 1.00 62.32 H new ATOM 0 HE1 TYR A 125 20.662 -18.786 -8.041 1.00 44.41 H new ATOM 0 HE2 TYR A 125 20.538 -20.546 -4.159 1.00 13.22 H new ATOM 0 HH TYR A 125 22.154 -20.941 -5.613 1.00 54.21 H new ATOM 2159 N TYR A 126 13.649 -18.104 -4.753 1.00 71.55 N ATOM 2160 CA TYR A 126 12.413 -17.408 -4.415 1.00 25.00 C ATOM 2161 C TYR A 126 12.230 -17.327 -2.903 1.00 24.35 C ATOM 2162 O TYR A 126 12.805 -18.104 -2.139 1.00 73.24 O ATOM 2163 CB TYR A 126 11.214 -18.116 -5.048 1.00 4.10 C ATOM 2164 CG TYR A 126 11.408 -19.607 -5.211 1.00 42.53 C ATOM 2165 CD1 TYR A 126 12.076 -20.124 -6.314 1.00 43.32 C ATOM 2166 CD2 TYR A 126 10.924 -20.498 -4.262 1.00 12.24 C ATOM 2167 CE1 TYR A 126 12.255 -21.485 -6.468 1.00 12.24 C ATOM 2168 CE2 TYR A 126 11.099 -21.861 -4.406 1.00 50.41 C ATOM 2169 CZ TYR A 126 11.765 -22.349 -5.511 1.00 33.11 C ATOM 2170 OH TYR A 126 11.942 -23.706 -5.659 1.00 53.34 O ATOM 0 H TYR A 126 13.734 -19.035 -4.345 1.00 71.55 H new ATOM 0 HA TYR A 126 12.477 -16.394 -4.810 1.00 25.00 H new ATOM 0 HB2 TYR A 126 10.332 -17.938 -4.433 1.00 4.10 H new ATOM 0 HB3 TYR A 126 11.016 -17.675 -6.025 1.00 4.10 H new ATOM 0 HD1 TYR A 126 12.462 -19.450 -7.064 1.00 43.32 H new ATOM 0 HD2 TYR A 126 10.402 -20.119 -3.396 1.00 12.24 H new ATOM 0 HE1 TYR A 126 12.775 -21.870 -7.332 1.00 12.24 H new ATOM 0 HE2 TYR A 126 10.717 -22.540 -3.658 1.00 50.41 H new ATOM 0 HH TYR A 126 11.507 -24.005 -6.485 1.00 53.34 H new ATOM 2180 N PRO A 127 11.410 -16.364 -2.458 1.00 33.24 N ATOM 2181 CA PRO A 127 11.130 -16.158 -1.033 1.00 74.35 C ATOM 2182 C PRO A 127 10.290 -17.284 -0.439 1.00 63.10 C ATOM 2183 O PRO A 127 9.069 -17.303 -0.582 1.00 54.24 O ATOM 2184 CB PRO A 127 10.350 -14.841 -1.012 1.00 72.31 C ATOM 2185 CG PRO A 127 9.725 -14.749 -2.362 1.00 4.15 C ATOM 2186 CD PRO A 127 10.692 -15.402 -3.311 1.00 35.45 C ATOM 0 HA PRO A 127 12.042 -16.139 -0.437 1.00 74.35 H new ATOM 0 HB2 PRO A 127 9.595 -14.840 -0.226 1.00 72.31 H new ATOM 0 HB3 PRO A 127 11.009 -13.994 -0.822 1.00 72.31 H new ATOM 0 HG2 PRO A 127 8.759 -15.254 -2.380 1.00 4.15 H new ATOM 0 HG3 PRO A 127 9.547 -13.710 -2.640 1.00 4.15 H new ATOM 0 HD2 PRO A 127 10.175 -15.900 -4.132 1.00 35.45 H new ATOM 0 HD3 PRO A 127 11.371 -14.675 -3.756 1.00 35.45 H new ATOM 2194 N GLY A 128 10.955 -18.222 0.230 1.00 54.13 N ATOM 2195 CA GLY A 128 10.253 -19.338 0.836 1.00 31.22 C ATOM 2196 C GLY A 128 9.283 -20.002 -0.121 1.00 13.12 C ATOM 2197 O GLY A 128 9.434 -19.901 -1.338 1.00 53.32 O ATOM 0 H GLY A 128 11.966 -18.228 0.363 1.00 54.13 H new ATOM 0 HA2 GLY A 128 10.978 -20.074 1.182 1.00 31.22 H new ATOM 0 HA3 GLY A 128 9.710 -18.988 1.714 1.00 31.22 H new ATOM 2201 N SER A 129 8.284 -20.685 0.430 1.00 2.33 N ATOM 2202 CA SER A 129 7.288 -21.373 -0.383 1.00 3.31 C ATOM 2203 C SER A 129 5.876 -20.964 0.027 1.00 64.44 C ATOM 2204 O SER A 129 5.647 -20.529 1.155 1.00 50.33 O ATOM 2205 CB SER A 129 7.451 -22.888 -0.252 1.00 62.34 C ATOM 2206 OG SER A 129 6.656 -23.398 0.804 1.00 10.42 O ATOM 0 H SER A 129 8.143 -20.776 1.436 1.00 2.33 H new ATOM 0 HA SER A 129 7.443 -21.087 -1.423 1.00 3.31 H new ATOM 0 HB2 SER A 129 7.169 -23.369 -1.188 1.00 62.34 H new ATOM 0 HB3 SER A 129 8.498 -23.130 -0.072 1.00 62.34 H new ATOM 0 HG SER A 129 6.777 -24.369 0.865 1.00 10.42 H new ATOM 2212 N SER A 130 4.934 -21.109 -0.899 1.00 55.11 N ATOM 2213 CA SER A 130 3.544 -20.752 -0.637 1.00 42.11 C ATOM 2214 C SER A 130 2.876 -21.790 0.259 1.00 22.22 C ATOM 2215 O SER A 130 1.790 -21.560 0.789 1.00 24.52 O ATOM 2216 CB SER A 130 2.772 -20.624 -1.952 1.00 11.14 C ATOM 2217 OG SER A 130 1.496 -20.045 -1.739 1.00 72.51 O ATOM 0 H SER A 130 5.107 -21.471 -1.837 1.00 55.11 H new ATOM 0 HA SER A 130 3.532 -19.792 -0.122 1.00 42.11 H new ATOM 0 HB2 SER A 130 3.340 -20.012 -2.653 1.00 11.14 H new ATOM 0 HB3 SER A 130 2.657 -21.608 -2.407 1.00 11.14 H new ATOM 0 HG SER A 130 1.157 -20.314 -0.860 1.00 72.51 H new TER 2223 SER A 130