USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=31 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 Set 1.1: A 80 THR OG1 : rot -110:sc= -0.108 USER MOD Set 1.2: A 129 SER OG : rot -160:sc= -0.208 USER MOD Set 2.1: A 57 THR OG1 : rot -174:sc= 0.275 USER MOD Set 2.2: A 59 SER OG : rot 88:sc= 0.381 USER MOD Set 3.1: A 51 LYS NZ :NH3+ -179:sc= -1.12 (180deg=-1.18) USER MOD Set 3.2: A 52 THR OG1 : rot 82:sc= 0.124 USER MOD Single : A 1 MET CE :methyl -144:sc= -0.0516 (180deg=-0.212) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 9 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.55) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0533 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -66:sc= 1.31 USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0721) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.8!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.895 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 176:sc= -5.74! (180deg=-5.91!) USER MOD Single : A 32 ASN : amide:sc= -0.0678 K(o=-0.068,f=-0.71) 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 151:sc= 0 (180deg=-0.647) USER MOD Single : A 43 MET CE :methyl -137:sc= -2.36 (180deg=-8.49!) USER MOD Single : A 44 LYS NZ :NH3+ 151:sc= -0.0331 (180deg=-0.977) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.15) USER MOD Single : A 46 SER OG : rot 180:sc= -0.857 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.601 K(o=-0.6,f=-4.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.619 K(o=-0.62,f=-1.2) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl -125:sc= 0 (180deg=-0.0379) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00982) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -84:sc= -2.35! USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.7!) USER MOD Single : A 100 SER OG : rot 166:sc= 1.41 USER MOD Single : A 103 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00555) USER MOD Single : A 107 CYS SG : rot 170:sc= -2.31 USER MOD Single : A 110 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=-0.044) USER MOD Single : A 119 CYS SG : rot 52:sc= -3.84! USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 125 TYR OH : rot 180:sc= -0.234 USER MOD Single : A 126 TYR OH : rot 30:sc= -0.0878 USER MOD Single : A 130 SER OG : rot 180:sc= 0.00762 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.118 1.753 -0.150 1.00 50.22 N ATOM 2 CA MET A 1 3.915 1.509 -1.346 1.00 44.15 C ATOM 3 C MET A 1 3.781 0.060 -1.803 1.00 24.22 C ATOM 4 O MET A 1 4.088 -0.867 -1.054 1.00 71.02 O ATOM 5 CB MET A 1 5.386 1.839 -1.081 1.00 73.43 C ATOM 6 CG MET A 1 5.697 3.325 -1.149 1.00 63.25 C ATOM 7 SD MET A 1 5.976 3.899 -2.836 1.00 2.44 S ATOM 8 CE MET A 1 4.465 4.812 -3.137 1.00 12.24 C ATOM 0 H1 MET A 1 3.225 2.745 0.142 1.00 50.22 H new ATOM 0 H2 MET A 1 2.117 1.558 -0.354 1.00 50.22 H new ATOM 0 H3 MET A 1 3.443 1.130 0.617 1.00 50.22 H new ATOM 0 HA MET A 1 3.542 2.157 -2.139 1.00 44.15 H new ATOM 0 HB2 MET A 1 5.662 1.463 -0.096 1.00 73.43 H new ATOM 0 HB3 MET A 1 6.005 1.313 -1.808 1.00 73.43 H new ATOM 0 HG2 MET A 1 4.872 3.886 -0.710 1.00 63.25 H new ATOM 0 HG3 MET A 1 6.581 3.535 -0.547 1.00 63.25 H new ATOM 0 HE1 MET A 1 4.163 4.684 -4.177 1.00 12.24 H new ATOM 0 HE2 MET A 1 3.678 4.439 -2.482 1.00 12.24 H new ATOM 0 HE3 MET A 1 4.633 5.870 -2.936 1.00 12.24 H new ATOM 18 N ASN A 2 3.321 -0.128 -3.036 1.00 2.35 N ATOM 19 CA ASN A 2 3.146 -1.465 -3.591 1.00 12.22 C ATOM 20 C ASN A 2 4.480 -2.202 -3.667 1.00 13.44 C ATOM 21 O ASN A 2 4.547 -3.410 -3.439 1.00 2.53 O ATOM 22 CB ASN A 2 2.516 -1.383 -4.983 1.00 33.14 C ATOM 23 CG ASN A 2 1.015 -1.173 -4.926 1.00 72.33 C ATOM 24 OD1 ASN A 2 0.531 -0.242 -4.283 1.00 52.45 O ATOM 25 ND2 ASN A 2 0.270 -2.042 -5.601 1.00 45.42 N ATOM 0 H ASN A 2 3.063 0.629 -3.669 1.00 2.35 H new ATOM 0 HA ASN A 2 2.481 -2.021 -2.930 1.00 12.22 H new ATOM 0 HB2 ASN A 2 2.974 -0.565 -5.539 1.00 33.14 H new ATOM 0 HB3 ASN A 2 2.731 -2.300 -5.531 1.00 33.14 H new ATOM 0 HD21 ASN A 2 -0.746 -1.952 -5.599 1.00 45.42 H new ATOM 0 HD22 ASN A 2 0.714 -2.799 -6.121 1.00 45.42 H new ATOM 32 N ASP A 3 5.538 -1.466 -3.988 1.00 1.34 N ATOM 33 CA ASP A 3 6.871 -2.048 -4.092 1.00 30.10 C ATOM 34 C ASP A 3 7.533 -2.139 -2.721 1.00 21.13 C ATOM 35 O ASP A 3 8.087 -1.159 -2.222 1.00 11.11 O ATOM 36 CB ASP A 3 7.741 -1.219 -5.038 1.00 14.40 C ATOM 37 CG ASP A 3 7.667 0.266 -4.740 1.00 54.01 C ATOM 38 OD1 ASP A 3 6.665 0.901 -5.133 1.00 4.22 O ATOM 39 OD2 ASP A 3 8.610 0.793 -4.114 1.00 35.34 O ATOM 0 H ASP A 3 5.499 -0.465 -4.181 1.00 1.34 H new ATOM 0 HA ASP A 3 6.769 -3.056 -4.494 1.00 30.10 H new ATOM 0 HB2 ASP A 3 8.776 -1.551 -4.960 1.00 14.40 H new ATOM 0 HB3 ASP A 3 7.426 -1.397 -6.066 1.00 14.40 H new ATOM 44 N ILE A 4 7.471 -3.321 -2.117 1.00 11.14 N ATOM 45 CA ILE A 4 8.064 -3.539 -0.803 1.00 64.23 C ATOM 46 C ILE A 4 9.135 -4.624 -0.857 1.00 41.33 C ATOM 47 O ILE A 4 9.100 -5.503 -1.718 1.00 52.35 O ATOM 48 CB ILE A 4 7.000 -3.936 0.237 1.00 50.33 C ATOM 49 CG1 ILE A 4 5.884 -4.746 -0.427 1.00 3.13 C ATOM 50 CG2 ILE A 4 6.432 -2.697 0.912 1.00 1.53 C ATOM 51 CD1 ILE A 4 6.366 -6.034 -1.056 1.00 73.43 C ATOM 0 H ILE A 4 7.016 -4.142 -2.516 1.00 11.14 H new ATOM 0 HA ILE A 4 8.519 -2.596 -0.502 1.00 64.23 H new ATOM 0 HB ILE A 4 7.471 -4.558 0.998 1.00 50.33 H new ATOM 0 HG12 ILE A 4 5.122 -4.977 0.317 1.00 3.13 H new ATOM 0 HG13 ILE A 4 5.407 -4.133 -1.192 1.00 3.13 H new ATOM 0 HG21 ILE A 4 5.681 -2.994 1.644 1.00 1.53 H new ATOM 0 HG22 ILE A 4 7.234 -2.156 1.413 1.00 1.53 H new ATOM 0 HG23 ILE A 4 5.973 -2.052 0.162 1.00 1.53 H new ATOM 0 HD11 ILE A 4 5.523 -6.556 -1.508 1.00 73.43 H new ATOM 0 HD12 ILE A 4 7.107 -5.809 -1.823 1.00 73.43 H new ATOM 0 HD13 ILE A 4 6.817 -6.666 -0.291 1.00 73.43 H new ATOM 63 N ARG A 5 10.085 -4.556 0.070 1.00 62.05 N ATOM 64 CA ARG A 5 11.166 -5.533 0.128 1.00 2.42 C ATOM 65 C ARG A 5 10.613 -6.952 0.210 1.00 34.14 C ATOM 66 O ARG A 5 9.467 -7.160 0.611 1.00 53.42 O ATOM 67 CB ARG A 5 12.068 -5.255 1.332 1.00 2.11 C ATOM 68 CG ARG A 5 13.111 -4.179 1.076 1.00 23.45 C ATOM 69 CD ARG A 5 12.465 -2.844 0.743 1.00 34.13 C ATOM 70 NE ARG A 5 11.447 -2.469 1.722 1.00 61.43 N ATOM 71 CZ ARG A 5 10.602 -1.459 1.553 1.00 40.42 C ATOM 72 NH1 ARG A 5 10.652 -0.725 0.449 1.00 23.52 N ATOM 73 NH2 ARG A 5 9.704 -1.180 2.489 1.00 51.42 N ATOM 0 H ARG A 5 10.128 -3.835 0.791 1.00 62.05 H new ATOM 0 HA ARG A 5 11.753 -5.443 -0.786 1.00 2.42 H new ATOM 0 HB2 ARG A 5 11.449 -4.955 2.178 1.00 2.11 H new ATOM 0 HB3 ARG A 5 12.573 -6.178 1.618 1.00 2.11 H new ATOM 0 HG2 ARG A 5 13.744 -4.068 1.956 1.00 23.45 H new ATOM 0 HG3 ARG A 5 13.758 -4.486 0.254 1.00 23.45 H new ATOM 0 HD2 ARG A 5 13.232 -2.070 0.703 1.00 34.13 H new ATOM 0 HD3 ARG A 5 12.013 -2.897 -0.248 1.00 34.13 H new ATOM 0 HE ARG A 5 11.382 -3.013 2.582 1.00 61.43 H new ATOM 0 HH11 ARG A 5 11.341 -0.936 -0.273 1.00 23.52 H new ATOM 0 HH12 ARG A 5 10.001 0.050 0.322 1.00 23.52 H new ATOM 0 HH21 ARG A 5 9.662 -1.742 3.339 1.00 51.42 H new ATOM 0 HH22 ARG A 5 9.055 -0.404 2.358 1.00 51.42 H new ATOM 87 N ILE A 6 11.433 -7.925 -0.171 1.00 43.35 N ATOM 88 CA ILE A 6 11.026 -9.324 -0.140 1.00 52.22 C ATOM 89 C ILE A 6 11.878 -10.123 0.840 1.00 12.21 C ATOM 90 O ILE A 6 11.441 -11.145 1.369 1.00 30.02 O ATOM 91 CB ILE A 6 11.125 -9.970 -1.535 1.00 30.45 C ATOM 92 CG1 ILE A 6 12.410 -9.527 -2.236 1.00 43.21 C ATOM 93 CG2 ILE A 6 9.907 -9.612 -2.372 1.00 51.25 C ATOM 94 CD1 ILE A 6 12.253 -8.254 -3.038 1.00 74.12 C ATOM 0 H ILE A 6 12.384 -7.770 -0.505 1.00 43.35 H new ATOM 0 HA ILE A 6 9.986 -9.343 0.187 1.00 52.22 H new ATOM 0 HB ILE A 6 11.154 -11.053 -1.417 1.00 30.45 H new ATOM 0 HG12 ILE A 6 13.190 -9.382 -1.489 1.00 43.21 H new ATOM 0 HG13 ILE A 6 12.747 -10.325 -2.898 1.00 43.21 H new ATOM 0 HG21 ILE A 6 9.992 -10.076 -3.355 1.00 51.25 H new ATOM 0 HG22 ILE A 6 9.006 -9.974 -1.877 1.00 51.25 H new ATOM 0 HG23 ILE A 6 9.849 -8.529 -2.486 1.00 51.25 H new ATOM 0 HD11 ILE A 6 13.203 -8.000 -3.507 1.00 74.12 H new ATOM 0 HD12 ILE A 6 11.496 -8.400 -3.808 1.00 74.12 H new ATOM 0 HD13 ILE A 6 11.946 -7.443 -2.377 1.00 74.12 H new ATOM 106 N VAL A 7 13.096 -9.649 1.080 1.00 44.35 N ATOM 107 CA VAL A 7 14.010 -10.317 1.999 1.00 54.11 C ATOM 108 C VAL A 7 15.022 -9.335 2.578 1.00 31.14 C ATOM 109 O VAL A 7 16.022 -8.991 1.948 1.00 71.53 O ATOM 110 CB VAL A 7 14.765 -11.466 1.304 1.00 13.42 C ATOM 111 CG1 VAL A 7 13.846 -12.660 1.098 1.00 64.44 C ATOM 112 CG2 VAL A 7 15.348 -10.995 -0.020 1.00 35.40 C ATOM 0 H VAL A 7 13.473 -8.804 0.650 1.00 44.35 H new ATOM 0 HA VAL A 7 13.403 -10.727 2.806 1.00 54.11 H new ATOM 0 HB VAL A 7 15.588 -11.779 1.946 1.00 13.42 H new ATOM 0 HG11 VAL A 7 14.396 -13.462 0.606 1.00 64.44 H new ATOM 0 HG12 VAL A 7 13.482 -13.010 2.064 1.00 64.44 H new ATOM 0 HG13 VAL A 7 13.001 -12.365 0.476 1.00 64.44 H new ATOM 0 HG21 VAL A 7 15.878 -11.819 -0.498 1.00 35.40 H new ATOM 0 HG22 VAL A 7 14.543 -10.655 -0.672 1.00 35.40 H new ATOM 0 HG23 VAL A 7 16.041 -10.173 0.159 1.00 35.40 H new ATOM 122 N PRO A 8 14.759 -8.872 3.809 1.00 10.23 N ATOM 123 CA PRO A 8 15.636 -7.923 4.502 1.00 20.42 C ATOM 124 C PRO A 8 16.961 -8.555 4.917 1.00 74.04 C ATOM 125 O PRO A 8 17.159 -9.759 4.761 1.00 62.54 O ATOM 126 CB PRO A 8 14.824 -7.526 5.737 1.00 34.12 C ATOM 127 CG PRO A 8 13.911 -8.679 5.977 1.00 54.31 C ATOM 128 CD PRO A 8 13.585 -9.239 4.620 1.00 45.42 C ATOM 0 HA PRO A 8 15.909 -7.081 3.866 1.00 20.42 H new ATOM 0 HB2 PRO A 8 15.471 -7.348 6.596 1.00 34.12 H new ATOM 0 HB3 PRO A 8 14.264 -6.607 5.564 1.00 34.12 H new ATOM 0 HG2 PRO A 8 14.389 -9.431 6.605 1.00 54.31 H new ATOM 0 HG3 PRO A 8 13.007 -8.359 6.495 1.00 54.31 H new ATOM 0 HD2 PRO A 8 13.442 -10.319 4.655 1.00 45.42 H new ATOM 0 HD3 PRO A 8 12.668 -8.809 4.217 1.00 45.42 H new ATOM 136 N GLN A 9 17.863 -7.734 5.445 1.00 33.30 N ATOM 137 CA GLN A 9 19.169 -8.214 5.881 1.00 35.34 C ATOM 138 C GLN A 9 19.048 -9.028 7.165 1.00 21.53 C ATOM 139 O GLN A 9 18.061 -8.915 7.893 1.00 23.12 O ATOM 140 CB GLN A 9 20.122 -7.038 6.097 1.00 12.41 C ATOM 141 CG GLN A 9 19.681 -6.092 7.203 1.00 73.03 C ATOM 142 CD GLN A 9 18.846 -4.938 6.685 1.00 52.44 C ATOM 143 OE1 GLN A 9 19.372 -3.988 6.103 1.00 14.25 O ATOM 144 NE2 GLN A 9 17.537 -5.013 6.893 1.00 75.43 N ATOM 0 H GLN A 9 17.714 -6.734 5.581 1.00 33.30 H new ATOM 0 HA GLN A 9 19.571 -8.859 5.099 1.00 35.34 H new ATOM 0 HB2 GLN A 9 21.114 -7.424 6.334 1.00 12.41 H new ATOM 0 HB3 GLN A 9 20.212 -6.478 5.166 1.00 12.41 H new ATOM 0 HG2 GLN A 9 19.106 -6.648 7.944 1.00 73.03 H new ATOM 0 HG3 GLN A 9 20.561 -5.699 7.712 1.00 73.03 H new ATOM 0 HE21 GLN A 9 17.143 -5.818 7.380 1.00 75.43 H new ATOM 0 HE22 GLN A 9 16.925 -4.265 6.566 1.00 75.43 H new ATOM 153 N ILE A 10 20.057 -9.849 7.437 1.00 45.23 N ATOM 154 CA ILE A 10 20.064 -10.681 8.633 1.00 23.13 C ATOM 155 C ILE A 10 21.200 -10.287 9.571 1.00 43.41 C ATOM 156 O ILE A 10 22.376 -10.400 9.223 1.00 61.31 O ATOM 157 CB ILE A 10 20.200 -12.174 8.280 1.00 44.01 C ATOM 158 CG1 ILE A 10 21.269 -12.370 7.203 1.00 62.13 C ATOM 159 CG2 ILE A 10 18.864 -12.732 7.815 1.00 34.21 C ATOM 160 CD1 ILE A 10 21.641 -13.819 6.977 1.00 3.15 C ATOM 0 H ILE A 10 20.880 -9.955 6.845 1.00 45.23 H new ATOM 0 HA ILE A 10 19.110 -10.520 9.134 1.00 23.13 H new ATOM 0 HB ILE A 10 20.507 -12.717 9.174 1.00 44.01 H new ATOM 0 HG12 ILE A 10 20.911 -11.945 6.265 1.00 62.13 H new ATOM 0 HG13 ILE A 10 22.163 -11.813 7.484 1.00 62.13 H new ATOM 0 HG21 ILE A 10 18.976 -13.788 7.569 1.00 34.21 H new ATOM 0 HG22 ILE A 10 18.127 -12.621 8.610 1.00 34.21 H new ATOM 0 HG23 ILE A 10 18.530 -12.188 6.932 1.00 34.21 H new ATOM 0 HD11 ILE A 10 22.403 -13.882 6.201 1.00 3.15 H new ATOM 0 HD12 ILE A 10 22.030 -14.243 7.903 1.00 3.15 H new ATOM 0 HD13 ILE A 10 20.758 -14.377 6.665 1.00 3.15 H new ATOM 172 N THR A 11 20.842 -9.823 10.764 1.00 34.33 N ATOM 173 CA THR A 11 21.830 -9.412 11.753 1.00 20.43 C ATOM 174 C THR A 11 22.299 -10.599 12.588 1.00 53.21 C ATOM 175 O THR A 11 22.002 -11.750 12.269 1.00 32.21 O ATOM 176 CB THR A 11 21.268 -8.329 12.693 1.00 40.44 C ATOM 177 OG1 THR A 11 20.022 -7.839 12.185 1.00 34.03 O ATOM 178 CG2 THR A 11 22.250 -7.176 12.838 1.00 61.02 C ATOM 0 H THR A 11 19.874 -9.722 11.069 1.00 34.33 H new ATOM 0 HA THR A 11 22.676 -9.001 11.202 1.00 20.43 H new ATOM 0 HB THR A 11 21.110 -8.777 13.674 1.00 40.44 H new ATOM 0 HG1 THR A 11 19.670 -7.152 12.789 1.00 34.03 H new ATOM 0 HG21 THR A 11 21.831 -6.423 13.506 1.00 61.02 H new ATOM 0 HG22 THR A 11 23.188 -7.547 13.251 1.00 61.02 H new ATOM 0 HG23 THR A 11 22.435 -6.731 11.861 1.00 61.02 H new ATOM 186 N ASP A 12 23.032 -10.311 13.658 1.00 53.43 N ATOM 187 CA ASP A 12 23.540 -11.355 14.540 1.00 42.41 C ATOM 188 C ASP A 12 22.395 -12.157 15.149 1.00 73.11 C ATOM 189 O ASP A 12 22.587 -13.285 15.602 1.00 41.11 O ATOM 190 CB ASP A 12 24.396 -10.742 15.649 1.00 25.04 C ATOM 191 CG ASP A 12 25.501 -11.673 16.109 1.00 33.44 C ATOM 192 OD1 ASP A 12 25.197 -12.638 16.843 1.00 50.31 O ATOM 193 OD2 ASP A 12 26.669 -11.438 15.735 1.00 34.54 O ATOM 0 H ASP A 12 23.288 -9.363 13.935 1.00 53.43 H new ATOM 0 HA ASP A 12 24.156 -12.030 13.946 1.00 42.41 H new ATOM 0 HB2 ASP A 12 24.835 -9.810 15.292 1.00 25.04 H new ATOM 0 HB3 ASP A 12 23.760 -10.490 16.498 1.00 25.04 H new ATOM 198 N GLU A 13 21.204 -11.567 15.157 1.00 54.35 N ATOM 199 CA GLU A 13 20.028 -12.227 15.712 1.00 41.11 C ATOM 200 C GLU A 13 19.510 -13.304 14.763 1.00 22.35 C ATOM 201 O GLU A 13 18.926 -14.297 15.196 1.00 14.11 O ATOM 202 CB GLU A 13 18.925 -11.204 15.990 1.00 11.22 C ATOM 203 CG GLU A 13 19.408 -9.978 16.746 1.00 4.31 C ATOM 204 CD GLU A 13 18.271 -9.076 17.184 1.00 34.13 C ATOM 205 OE1 GLU A 13 17.099 -9.482 17.033 1.00 45.43 O ATOM 206 OE2 GLU A 13 18.552 -7.965 17.679 1.00 3.52 O ATOM 0 H GLU A 13 21.028 -10.633 14.786 1.00 54.35 H new ATOM 0 HA GLU A 13 20.318 -12.702 16.649 1.00 41.11 H new ATOM 0 HB2 GLU A 13 18.488 -10.887 15.043 1.00 11.22 H new ATOM 0 HB3 GLU A 13 18.132 -11.684 16.563 1.00 11.22 H new ATOM 0 HG2 GLU A 13 19.973 -10.296 17.622 1.00 4.31 H new ATOM 0 HG3 GLU A 13 20.092 -9.412 16.114 1.00 4.31 H new ATOM 213 N GLU A 14 19.729 -13.100 13.468 1.00 3.54 N ATOM 214 CA GLU A 14 19.283 -14.053 12.459 1.00 44.42 C ATOM 215 C GLU A 14 20.432 -14.954 12.017 1.00 63.40 C ATOM 216 O GLU A 14 20.231 -16.130 11.711 1.00 23.14 O ATOM 217 CB GLU A 14 18.705 -13.315 11.249 1.00 23.02 C ATOM 218 CG GLU A 14 17.519 -12.427 11.587 1.00 24.33 C ATOM 219 CD GLU A 14 16.310 -13.219 12.045 1.00 11.13 C ATOM 220 OE1 GLU A 14 16.146 -14.370 11.590 1.00 24.00 O ATOM 221 OE2 GLU A 14 15.527 -12.687 12.860 1.00 51.52 O ATOM 0 H GLU A 14 20.212 -12.284 13.093 1.00 3.54 H new ATOM 0 HA GLU A 14 18.505 -14.675 12.902 1.00 44.42 H new ATOM 0 HB2 GLU A 14 19.488 -12.705 10.798 1.00 23.02 H new ATOM 0 HB3 GLU A 14 18.399 -14.046 10.500 1.00 23.02 H new ATOM 0 HG2 GLU A 14 17.807 -11.725 12.370 1.00 24.33 H new ATOM 0 HG3 GLU A 14 17.251 -11.836 10.711 1.00 24.33 H new ATOM 228 N PHE A 15 21.637 -14.395 11.985 1.00 3.11 N ATOM 229 CA PHE A 15 22.819 -15.147 11.579 1.00 31.03 C ATOM 230 C PHE A 15 23.167 -16.213 12.614 1.00 73.41 C ATOM 231 O PHE A 15 23.571 -17.323 12.267 1.00 61.30 O ATOM 232 CB PHE A 15 24.008 -14.204 11.383 1.00 15.43 C ATOM 233 CG PHE A 15 25.330 -14.912 11.316 1.00 43.01 C ATOM 234 CD1 PHE A 15 26.041 -15.191 12.472 1.00 44.02 C ATOM 235 CD2 PHE A 15 25.863 -15.298 10.096 1.00 32.34 C ATOM 236 CE1 PHE A 15 27.259 -15.843 12.413 1.00 32.03 C ATOM 237 CE2 PHE A 15 27.079 -15.951 10.032 1.00 43.12 C ATOM 238 CZ PHE A 15 27.779 -16.222 11.191 1.00 32.54 C ATOM 0 H PHE A 15 21.821 -13.423 12.235 1.00 3.11 H new ATOM 0 HA PHE A 15 22.597 -15.642 10.633 1.00 31.03 H new ATOM 0 HB2 PHE A 15 23.863 -13.635 10.465 1.00 15.43 H new ATOM 0 HB3 PHE A 15 24.031 -13.486 12.203 1.00 15.43 H new ATOM 0 HD1 PHE A 15 25.639 -14.896 13.430 1.00 44.02 H new ATOM 0 HD2 PHE A 15 25.322 -15.086 9.186 1.00 32.34 H new ATOM 0 HE1 PHE A 15 27.803 -16.056 13.321 1.00 32.03 H new ATOM 0 HE2 PHE A 15 27.482 -16.249 9.075 1.00 43.12 H new ATOM 0 HZ PHE A 15 28.731 -16.729 11.142 1.00 32.54 H new ATOM 248 N LYS A 16 23.007 -15.868 13.887 1.00 60.20 N ATOM 249 CA LYS A 16 23.303 -16.794 14.974 1.00 13.10 C ATOM 250 C LYS A 16 22.337 -17.975 14.961 1.00 43.12 C ATOM 251 O LYS A 16 22.566 -18.985 15.628 1.00 55.25 O ATOM 252 CB LYS A 16 23.224 -16.072 16.321 1.00 21.44 C ATOM 253 CG LYS A 16 21.803 -15.796 16.781 1.00 22.14 C ATOM 254 CD LYS A 16 21.373 -16.761 17.874 1.00 50.15 C ATOM 255 CE LYS A 16 21.918 -16.345 19.231 1.00 14.43 C ATOM 256 NZ LYS A 16 20.946 -15.505 19.985 1.00 33.11 N ATOM 0 H LYS A 16 22.674 -14.953 14.192 1.00 60.20 H new ATOM 0 HA LYS A 16 24.315 -17.173 14.830 1.00 13.10 H new ATOM 0 HB2 LYS A 16 23.731 -16.673 17.076 1.00 21.44 H new ATOM 0 HB3 LYS A 16 23.764 -15.128 16.250 1.00 21.44 H new ATOM 0 HG2 LYS A 16 21.731 -14.773 17.149 1.00 22.14 H new ATOM 0 HG3 LYS A 16 21.123 -15.878 15.933 1.00 22.14 H new ATOM 0 HD2 LYS A 16 20.285 -16.804 17.915 1.00 50.15 H new ATOM 0 HD3 LYS A 16 21.722 -17.765 17.633 1.00 50.15 H new ATOM 0 HE2 LYS A 16 22.158 -17.234 19.814 1.00 14.43 H new ATOM 0 HE3 LYS A 16 22.847 -15.792 19.095 1.00 14.43 H new ATOM 0 HZ1 LYS A 16 21.355 -15.242 20.904 1.00 33.11 H new ATOM 0 HZ2 LYS A 16 20.736 -14.644 19.441 1.00 33.11 H new ATOM 0 HZ3 LYS A 16 20.068 -16.042 20.137 1.00 33.11 H new ATOM 270 N THR A 17 21.258 -17.843 14.196 1.00 12.51 N ATOM 271 CA THR A 17 20.258 -18.898 14.096 1.00 62.32 C ATOM 272 C THR A 17 20.731 -20.017 13.174 1.00 33.03 C ATOM 273 O THR A 17 20.108 -21.077 13.100 1.00 50.35 O ATOM 274 CB THR A 17 18.915 -18.353 13.575 1.00 0.32 C ATOM 275 OG1 THR A 17 18.935 -18.286 12.145 1.00 74.21 O ATOM 276 CG2 THR A 17 18.633 -16.972 14.148 1.00 22.13 C ATOM 0 H THR A 17 21.054 -17.015 13.636 1.00 12.51 H new ATOM 0 HA THR A 17 20.115 -19.294 15.101 1.00 62.32 H new ATOM 0 HB THR A 17 18.124 -19.031 13.896 1.00 0.32 H new ATOM 0 HG1 THR A 17 19.593 -17.619 11.858 1.00 74.21 H new ATOM 0 HG21 THR A 17 17.679 -16.607 13.766 1.00 22.13 H new ATOM 0 HG22 THR A 17 18.590 -17.031 15.236 1.00 22.13 H new ATOM 0 HG23 THR A 17 19.428 -16.287 13.853 1.00 22.13 H new ATOM 284 N ILE A 18 21.834 -19.775 12.475 1.00 4.13 N ATOM 285 CA ILE A 18 22.391 -20.764 11.560 1.00 13.41 C ATOM 286 C ILE A 18 23.600 -21.461 12.173 1.00 22.02 C ATOM 287 O ILE A 18 24.546 -20.824 12.637 1.00 21.03 O ATOM 288 CB ILE A 18 22.805 -20.122 10.223 1.00 63.33 C ATOM 289 CG1 ILE A 18 21.594 -19.482 9.542 1.00 52.01 C ATOM 290 CG2 ILE A 18 23.443 -21.161 9.313 1.00 65.15 C ATOM 291 CD1 ILE A 18 21.831 -18.053 9.105 1.00 64.52 C ATOM 0 H ILE A 18 22.360 -18.903 12.524 1.00 4.13 H new ATOM 0 HA ILE A 18 21.608 -21.499 11.374 1.00 13.41 H new ATOM 0 HB ILE A 18 23.539 -19.342 10.423 1.00 63.33 H new ATOM 0 HG12 ILE A 18 21.319 -20.079 8.672 1.00 52.01 H new ATOM 0 HG13 ILE A 18 20.746 -19.508 10.227 1.00 52.01 H new ATOM 0 HG21 ILE A 18 23.731 -20.693 8.372 1.00 65.15 H new ATOM 0 HG22 ILE A 18 24.327 -21.575 9.797 1.00 65.15 H new ATOM 0 HG23 ILE A 18 22.729 -21.961 9.117 1.00 65.15 H new ATOM 0 HD11 ILE A 18 20.930 -17.664 8.630 1.00 64.52 H new ATOM 0 HD12 ILE A 18 22.076 -17.443 9.974 1.00 64.52 H new ATOM 0 HD13 ILE A 18 22.658 -18.022 8.395 1.00 64.52 H new ATOM 303 N PRO A 19 23.572 -22.802 12.175 1.00 63.04 N ATOM 304 CA PRO A 19 24.660 -23.616 12.725 1.00 0.14 C ATOM 305 C PRO A 19 25.924 -23.546 11.876 1.00 42.54 C ATOM 306 O PRO A 19 25.857 -23.387 10.656 1.00 24.44 O ATOM 307 CB PRO A 19 24.084 -25.034 12.711 1.00 62.11 C ATOM 308 CG PRO A 19 23.056 -25.015 11.633 1.00 43.42 C ATOM 309 CD PRO A 19 22.477 -23.627 11.638 1.00 31.01 C ATOM 0 HA PRO A 19 24.964 -23.274 13.714 1.00 0.14 H new ATOM 0 HB2 PRO A 19 24.858 -25.774 12.507 1.00 62.11 H new ATOM 0 HB3 PRO A 19 23.643 -25.292 13.674 1.00 62.11 H new ATOM 0 HG2 PRO A 19 23.500 -25.249 10.666 1.00 43.42 H new ATOM 0 HG3 PRO A 19 22.283 -25.761 11.818 1.00 43.42 H new ATOM 0 HD2 PRO A 19 22.188 -23.309 10.636 1.00 31.01 H new ATOM 0 HD3 PRO A 19 21.585 -23.566 12.262 1.00 31.01 H new ATOM 317 N LYS A 20 27.076 -23.664 12.527 1.00 64.35 N ATOM 318 CA LYS A 20 28.357 -23.616 11.831 1.00 21.11 C ATOM 319 C LYS A 20 28.422 -24.676 10.736 1.00 12.10 C ATOM 320 O LYS A 20 29.175 -24.540 9.771 1.00 34.22 O ATOM 321 CB LYS A 20 29.506 -23.820 12.821 1.00 2.41 C ATOM 322 CG LYS A 20 29.607 -22.725 13.870 1.00 73.43 C ATOM 323 CD LYS A 20 30.208 -21.455 13.294 1.00 43.55 C ATOM 324 CE LYS A 20 30.226 -20.332 14.319 1.00 4.34 C ATOM 325 NZ LYS A 20 31.119 -20.645 15.470 1.00 73.55 N ATOM 0 H LYS A 20 27.149 -23.794 13.536 1.00 64.35 H new ATOM 0 HA LYS A 20 28.454 -22.634 11.368 1.00 21.11 H new ATOM 0 HB2 LYS A 20 29.377 -24.780 13.321 1.00 2.41 H new ATOM 0 HB3 LYS A 20 30.445 -23.871 12.270 1.00 2.41 H new ATOM 0 HG2 LYS A 20 28.616 -22.511 14.270 1.00 73.43 H new ATOM 0 HG3 LYS A 20 30.218 -23.073 14.703 1.00 73.43 H new ATOM 0 HD2 LYS A 20 31.224 -21.654 12.953 1.00 43.55 H new ATOM 0 HD3 LYS A 20 29.634 -21.143 12.421 1.00 43.55 H new ATOM 0 HE2 LYS A 20 30.558 -19.410 13.842 1.00 4.34 H new ATOM 0 HE3 LYS A 20 29.214 -20.156 14.682 1.00 4.34 H new ATOM 0 HZ1 LYS A 20 31.210 -19.805 16.077 1.00 73.55 H new ATOM 0 HZ2 LYS A 20 30.713 -21.428 16.021 1.00 73.55 H new ATOM 0 HZ3 LYS A 20 32.057 -20.920 15.116 1.00 73.55 H new ATOM 339 N TYR A 21 27.628 -25.729 10.891 1.00 34.30 N ATOM 340 CA TYR A 21 27.596 -26.813 9.916 1.00 53.44 C ATOM 341 C TYR A 21 27.107 -26.311 8.560 1.00 2.11 C ATOM 342 O TYR A 21 27.351 -26.938 7.530 1.00 61.41 O ATOM 343 CB TYR A 21 26.693 -27.945 10.409 1.00 52.54 C ATOM 344 CG TYR A 21 27.298 -28.756 11.532 1.00 15.11 C ATOM 345 CD1 TYR A 21 27.342 -28.259 12.829 1.00 74.03 C ATOM 346 CD2 TYR A 21 27.824 -30.020 11.297 1.00 70.13 C ATOM 347 CE1 TYR A 21 27.894 -28.997 13.858 1.00 51.41 C ATOM 348 CE2 TYR A 21 28.377 -30.765 12.320 1.00 31.41 C ATOM 349 CZ TYR A 21 28.410 -30.249 13.599 1.00 70.23 C ATOM 350 OH TYR A 21 28.960 -30.988 14.621 1.00 13.35 O ATOM 0 H TYR A 21 26.997 -25.855 11.683 1.00 34.30 H new ATOM 0 HA TYR A 21 28.611 -27.192 9.799 1.00 53.44 H new ATOM 0 HB2 TYR A 21 25.746 -27.523 10.746 1.00 52.54 H new ATOM 0 HB3 TYR A 21 26.467 -28.608 9.574 1.00 52.54 H new ATOM 0 HD1 TYR A 21 26.938 -27.279 13.036 1.00 74.03 H new ATOM 0 HD2 TYR A 21 27.800 -30.427 10.297 1.00 70.13 H new ATOM 0 HE1 TYR A 21 27.921 -28.595 14.860 1.00 51.41 H new ATOM 0 HE2 TYR A 21 28.781 -31.746 12.120 1.00 31.41 H new ATOM 0 HH TYR A 21 29.276 -31.847 14.270 1.00 13.35 H new ATOM 360 N GLN A 22 26.417 -25.175 8.571 1.00 72.34 N ATOM 361 CA GLN A 22 25.894 -24.589 7.343 1.00 54.54 C ATOM 362 C GLN A 22 26.763 -23.422 6.883 1.00 34.41 C ATOM 363 O GLN A 22 26.968 -23.221 5.685 1.00 34.33 O ATOM 364 CB GLN A 22 24.454 -24.116 7.551 1.00 11.13 C ATOM 365 CG GLN A 22 23.530 -25.197 8.088 1.00 62.41 C ATOM 366 CD GLN A 22 22.998 -26.105 6.996 1.00 0.23 C ATOM 367 OE1 GLN A 22 23.765 -26.715 6.251 1.00 44.52 O ATOM 368 NE2 GLN A 22 21.677 -26.199 6.896 1.00 23.32 N ATOM 0 H GLN A 22 26.207 -24.643 9.416 1.00 72.34 H new ATOM 0 HA GLN A 22 25.909 -25.357 6.569 1.00 54.54 H new ATOM 0 HB2 GLN A 22 24.454 -23.273 8.242 1.00 11.13 H new ATOM 0 HB3 GLN A 22 24.060 -23.751 6.603 1.00 11.13 H new ATOM 0 HG2 GLN A 22 24.067 -25.796 8.824 1.00 62.41 H new ATOM 0 HG3 GLN A 22 22.693 -24.730 8.607 1.00 62.41 H new ATOM 0 HE21 GLN A 22 21.079 -25.675 7.535 1.00 23.32 H new ATOM 0 HE22 GLN A 22 21.261 -26.795 6.180 1.00 23.32 H new ATOM 377 N LEU A 23 27.271 -22.656 7.842 1.00 71.30 N ATOM 378 CA LEU A 23 28.118 -21.509 7.536 1.00 3.10 C ATOM 379 C LEU A 23 29.501 -21.960 7.075 1.00 34.35 C ATOM 380 O LEU A 23 29.976 -21.555 6.016 1.00 70.14 O ATOM 381 CB LEU A 23 28.247 -20.604 8.762 1.00 2.34 C ATOM 382 CG LEU A 23 26.963 -20.363 9.557 1.00 51.44 C ATOM 383 CD1 LEU A 23 27.285 -19.814 10.938 1.00 53.10 C ATOM 384 CD2 LEU A 23 26.041 -19.413 8.805 1.00 64.11 C ATOM 0 H LEU A 23 27.111 -22.808 8.838 1.00 71.30 H new ATOM 0 HA LEU A 23 27.650 -20.949 6.726 1.00 3.10 H new ATOM 0 HB2 LEU A 23 28.989 -21.037 9.432 1.00 2.34 H new ATOM 0 HB3 LEU A 23 28.636 -19.639 8.437 1.00 2.34 H new ATOM 0 HG LEU A 23 26.449 -21.317 9.679 1.00 51.44 H new ATOM 0 HD11 LEU A 23 26.359 -19.649 11.489 1.00 53.10 H new ATOM 0 HD12 LEU A 23 27.906 -20.529 11.478 1.00 53.10 H new ATOM 0 HD13 LEU A 23 27.821 -18.870 10.838 1.00 53.10 H new ATOM 0 HD21 LEU A 23 25.132 -19.253 9.385 1.00 64.11 H new ATOM 0 HD22 LEU A 23 26.547 -18.460 8.652 1.00 64.11 H new ATOM 0 HD23 LEU A 23 25.783 -19.846 7.838 1.00 64.11 H new ATOM 396 N GLY A 24 30.140 -22.804 7.879 1.00 24.34 N ATOM 397 CA GLY A 24 31.461 -23.299 7.536 1.00 10.32 C ATOM 398 C GLY A 24 32.508 -22.202 7.533 1.00 73.40 C ATOM 399 O GLY A 24 33.147 -21.942 8.553 1.00 53.14 O ATOM 0 H GLY A 24 29.767 -23.154 8.761 1.00 24.34 H new ATOM 0 HA2 GLY A 24 31.752 -24.073 8.247 1.00 10.32 H new ATOM 0 HA3 GLY A 24 31.426 -23.767 6.552 1.00 10.32 H new ATOM 403 N ARG A 25 32.685 -21.559 6.384 1.00 63.35 N ATOM 404 CA ARG A 25 33.664 -20.487 6.251 1.00 22.12 C ATOM 405 C ARG A 25 32.983 -19.170 5.893 1.00 54.22 C ATOM 406 O ARG A 25 33.603 -18.273 5.320 1.00 70.12 O ATOM 407 CB ARG A 25 34.702 -20.844 5.185 1.00 54.51 C ATOM 408 CG ARG A 25 36.044 -20.160 5.388 1.00 12.14 C ATOM 409 CD ARG A 25 37.081 -20.663 4.397 1.00 41.45 C ATOM 410 NE ARG A 25 38.145 -19.687 4.175 1.00 54.40 N ATOM 411 CZ ARG A 25 39.254 -19.951 3.495 1.00 45.24 C ATOM 412 NH1 ARG A 25 39.445 -21.154 2.972 1.00 71.22 N ATOM 413 NH2 ARG A 25 40.177 -19.010 3.336 1.00 55.14 N ATOM 0 H ARG A 25 32.163 -21.762 5.531 1.00 63.35 H new ATOM 0 HA ARG A 25 34.166 -20.367 7.211 1.00 22.12 H new ATOM 0 HB2 ARG A 25 34.851 -21.924 5.182 1.00 54.51 H new ATOM 0 HB3 ARG A 25 34.311 -20.574 4.204 1.00 54.51 H new ATOM 0 HG2 ARG A 25 35.925 -19.082 5.276 1.00 12.14 H new ATOM 0 HG3 ARG A 25 36.394 -20.338 6.405 1.00 12.14 H new ATOM 0 HD2 ARG A 25 37.513 -21.593 4.766 1.00 41.45 H new ATOM 0 HD3 ARG A 25 36.595 -20.891 3.448 1.00 41.45 H new ATOM 0 HE ARG A 25 38.029 -18.751 4.564 1.00 54.40 H new ATOM 0 HH11 ARG A 25 38.739 -21.880 3.092 1.00 71.22 H new ATOM 0 HH12 ARG A 25 40.298 -21.354 2.450 1.00 71.22 H new ATOM 0 HH21 ARG A 25 40.034 -18.083 3.737 1.00 55.14 H new ATOM 0 HH22 ARG A 25 41.029 -19.214 2.813 1.00 55.14 H new ATOM 427 N LEU A 26 31.703 -19.060 6.233 1.00 3.02 N ATOM 428 CA LEU A 26 30.936 -17.852 5.947 1.00 23.42 C ATOM 429 C LEU A 26 30.887 -16.937 7.166 1.00 21.03 C ATOM 430 O LEU A 26 31.387 -17.283 8.237 1.00 2.03 O ATOM 431 CB LEU A 26 29.516 -18.218 5.512 1.00 41.32 C ATOM 432 CG LEU A 26 29.277 -18.300 4.004 1.00 72.41 C ATOM 433 CD1 LEU A 26 28.721 -19.665 3.626 1.00 43.44 C ATOM 434 CD2 LEU A 26 28.334 -17.195 3.552 1.00 11.41 C ATOM 0 H LEU A 26 31.175 -19.792 6.707 1.00 3.02 H new ATOM 0 HA LEU A 26 31.432 -17.319 5.136 1.00 23.42 H new ATOM 0 HB2 LEU A 26 29.259 -19.181 5.953 1.00 41.32 H new ATOM 0 HB3 LEU A 26 28.828 -17.482 5.929 1.00 41.32 H new ATOM 0 HG LEU A 26 30.232 -18.165 3.496 1.00 72.41 H new ATOM 0 HD11 LEU A 26 28.557 -19.706 2.549 1.00 43.44 H new ATOM 0 HD12 LEU A 26 29.431 -20.440 3.914 1.00 43.44 H new ATOM 0 HD13 LEU A 26 27.776 -19.829 4.143 1.00 43.44 H new ATOM 0 HD21 LEU A 26 28.176 -17.269 2.476 1.00 11.41 H new ATOM 0 HD22 LEU A 26 27.379 -17.298 4.067 1.00 11.41 H new ATOM 0 HD23 LEU A 26 28.771 -16.225 3.788 1.00 11.41 H new ATOM 446 N THR A 27 30.279 -15.767 6.997 1.00 12.05 N ATOM 447 CA THR A 27 30.163 -14.802 8.083 1.00 31.15 C ATOM 448 C THR A 27 28.971 -13.876 7.871 1.00 10.20 C ATOM 449 O THR A 27 28.416 -13.803 6.774 1.00 72.11 O ATOM 450 CB THR A 27 31.441 -13.953 8.219 1.00 12.23 C ATOM 451 OG1 THR A 27 32.027 -13.740 6.930 1.00 15.51 O ATOM 452 CG2 THR A 27 32.448 -14.634 9.133 1.00 3.54 C ATOM 0 H THR A 27 29.859 -15.465 6.118 1.00 12.05 H new ATOM 0 HA THR A 27 30.016 -15.374 8.999 1.00 31.15 H new ATOM 0 HB THR A 27 31.168 -12.993 8.657 1.00 12.23 H new ATOM 0 HG1 THR A 27 32.838 -13.198 7.025 1.00 15.51 H new ATOM 0 HG21 THR A 27 33.342 -14.016 9.214 1.00 3.54 H new ATOM 0 HG22 THR A 27 32.009 -14.768 10.122 1.00 3.54 H new ATOM 0 HG23 THR A 27 32.715 -15.606 8.719 1.00 3.54 H new ATOM 460 N LEU A 28 28.582 -13.169 8.926 1.00 0.51 N ATOM 461 CA LEU A 28 27.455 -12.245 8.855 1.00 41.12 C ATOM 462 C LEU A 28 27.612 -11.284 7.681 1.00 3.40 C ATOM 463 O LEU A 28 26.647 -10.984 6.979 1.00 2.20 O ATOM 464 CB LEU A 28 27.332 -11.458 10.161 1.00 42.44 C ATOM 465 CG LEU A 28 25.940 -11.418 10.792 1.00 22.42 C ATOM 466 CD1 LEU A 28 26.031 -11.616 12.297 1.00 23.33 C ATOM 467 CD2 LEU A 28 25.243 -10.105 10.466 1.00 24.52 C ATOM 0 H LEU A 28 29.030 -13.218 9.841 1.00 0.51 H new ATOM 0 HA LEU A 28 26.547 -12.829 8.703 1.00 41.12 H new ATOM 0 HB2 LEU A 28 28.025 -11.885 10.886 1.00 42.44 H new ATOM 0 HB3 LEU A 28 27.655 -10.433 9.976 1.00 42.44 H new ATOM 0 HG LEU A 28 25.349 -12.233 10.374 1.00 22.42 H new ATOM 0 HD11 LEU A 28 25.031 -11.585 12.729 1.00 23.33 H new ATOM 0 HD12 LEU A 28 26.488 -12.582 12.510 1.00 23.33 H new ATOM 0 HD13 LEU A 28 26.639 -10.823 12.732 1.00 23.33 H new ATOM 0 HD21 LEU A 28 24.254 -10.095 10.923 1.00 24.52 H new ATOM 0 HD22 LEU A 28 25.831 -9.274 10.855 1.00 24.52 H new ATOM 0 HD23 LEU A 28 25.144 -10.004 9.385 1.00 24.52 H new ATOM 479 N GLU A 29 28.835 -10.806 7.474 1.00 45.14 N ATOM 480 CA GLU A 29 29.118 -9.880 6.383 1.00 4.24 C ATOM 481 C GLU A 29 28.809 -10.519 5.033 1.00 52.44 C ATOM 482 O GLU A 29 28.247 -9.877 4.145 1.00 21.21 O ATOM 483 CB GLU A 29 30.583 -9.438 6.427 1.00 14.42 C ATOM 484 CG GLU A 29 30.974 -8.513 5.287 1.00 74.04 C ATOM 485 CD GLU A 29 31.356 -7.126 5.765 1.00 1.10 C ATOM 486 OE1 GLU A 29 32.484 -6.966 6.278 1.00 53.25 O ATOM 487 OE2 GLU A 29 30.529 -6.201 5.627 1.00 34.04 O ATOM 0 H GLU A 29 29.645 -11.044 8.047 1.00 45.14 H new ATOM 0 HA GLU A 29 28.478 -9.006 6.507 1.00 4.24 H new ATOM 0 HB2 GLU A 29 30.773 -8.934 7.374 1.00 14.42 H new ATOM 0 HB3 GLU A 29 31.221 -10.321 6.402 1.00 14.42 H new ATOM 0 HG2 GLU A 29 31.811 -8.949 4.742 1.00 74.04 H new ATOM 0 HG3 GLU A 29 30.143 -8.435 4.586 1.00 74.04 H new ATOM 494 N MET A 30 29.180 -11.786 4.885 1.00 21.11 N ATOM 495 CA MET A 30 28.942 -12.512 3.643 1.00 33.32 C ATOM 496 C MET A 30 27.447 -12.631 3.361 1.00 3.00 C ATOM 497 O MET A 30 27.004 -12.448 2.228 1.00 60.23 O ATOM 498 CB MET A 30 29.572 -13.905 3.713 1.00 54.24 C ATOM 499 CG MET A 30 31.089 -13.882 3.800 1.00 10.43 C ATOM 500 SD MET A 30 31.870 -15.000 2.622 1.00 60.35 S ATOM 501 CE MET A 30 33.583 -14.887 3.131 1.00 23.13 C ATOM 0 H MET A 30 29.647 -12.331 5.610 1.00 21.11 H new ATOM 0 HA MET A 30 29.404 -11.952 2.830 1.00 33.32 H new ATOM 0 HB2 MET A 30 29.174 -14.431 4.581 1.00 54.24 H new ATOM 0 HB3 MET A 30 29.275 -14.474 2.832 1.00 54.24 H new ATOM 0 HG2 MET A 30 31.444 -12.867 3.621 1.00 10.43 H new ATOM 0 HG3 MET A 30 31.395 -14.154 4.810 1.00 10.43 H new ATOM 0 HE1 MET A 30 34.195 -15.526 2.494 1.00 23.13 H new ATOM 0 HE2 MET A 30 33.922 -13.855 3.042 1.00 23.13 H new ATOM 0 HE3 MET A 30 33.677 -15.212 4.167 1.00 23.13 H new ATOM 511 N MET A 31 26.676 -12.938 4.399 1.00 63.30 N ATOM 512 CA MET A 31 25.231 -13.080 4.262 1.00 64.24 C ATOM 513 C MET A 31 24.559 -11.716 4.147 1.00 5.41 C ATOM 514 O MET A 31 23.572 -11.558 3.430 1.00 1.04 O ATOM 515 CB MET A 31 24.657 -13.846 5.455 1.00 51.00 C ATOM 516 CG MET A 31 25.177 -15.270 5.571 1.00 41.41 C ATOM 517 SD MET A 31 24.330 -16.217 6.850 1.00 55.31 S ATOM 518 CE MET A 31 22.930 -16.851 5.930 1.00 71.11 C ATOM 0 H MET A 31 27.027 -13.093 5.344 1.00 63.30 H new ATOM 0 HA MET A 31 25.031 -13.641 3.349 1.00 64.24 H new ATOM 0 HB2 MET A 31 24.894 -13.306 6.371 1.00 51.00 H new ATOM 0 HB3 MET A 31 23.570 -13.870 5.372 1.00 51.00 H new ATOM 0 HG2 MET A 31 25.059 -15.775 4.612 1.00 41.41 H new ATOM 0 HG3 MET A 31 26.245 -15.246 5.789 1.00 41.41 H new ATOM 0 HE1 MET A 31 22.347 -17.516 6.567 1.00 71.11 H new ATOM 0 HE2 MET A 31 22.304 -16.021 5.603 1.00 71.11 H new ATOM 0 HE3 MET A 31 23.286 -17.402 5.059 1.00 71.11 H new ATOM 528 N ASN A 32 25.102 -10.732 4.858 1.00 34.44 N ATOM 529 CA ASN A 32 24.553 -9.381 4.837 1.00 63.23 C ATOM 530 C ASN A 32 24.527 -8.828 3.415 1.00 2.53 C ATOM 531 O ASN A 32 23.547 -8.212 2.997 1.00 62.11 O ATOM 532 CB ASN A 32 25.376 -8.460 5.740 1.00 61.02 C ATOM 533 CG ASN A 32 24.991 -7.002 5.583 1.00 50.34 C ATOM 534 OD1 ASN A 32 25.433 -6.328 4.652 1.00 64.22 O ATOM 535 ND2 ASN A 32 24.163 -6.507 6.495 1.00 13.01 N ATOM 0 H ASN A 32 25.921 -10.845 5.455 1.00 34.44 H new ATOM 0 HA ASN A 32 23.530 -9.424 5.210 1.00 63.23 H new ATOM 0 HB2 ASN A 32 25.240 -8.759 6.779 1.00 61.02 H new ATOM 0 HB3 ASN A 32 26.434 -8.580 5.509 1.00 61.02 H new ATOM 0 HD21 ASN A 32 23.869 -5.532 6.441 1.00 13.01 H new ATOM 0 HD22 ASN A 32 23.821 -7.102 7.250 1.00 13.01 H new ATOM 542 N GLU A 33 25.611 -9.052 2.679 1.00 52.24 N ATOM 543 CA GLU A 33 25.711 -8.575 1.304 1.00 4.12 C ATOM 544 C GLU A 33 24.923 -9.475 0.357 1.00 13.40 C ATOM 545 O GLU A 33 24.344 -9.005 -0.623 1.00 74.31 O ATOM 546 CB GLU A 33 27.177 -8.516 0.867 1.00 14.14 C ATOM 547 CG GLU A 33 27.922 -9.826 1.058 1.00 72.31 C ATOM 548 CD GLU A 33 29.426 -9.640 1.108 1.00 71.25 C ATOM 549 OE1 GLU A 33 30.011 -9.261 0.071 1.00 34.11 O ATOM 550 OE2 GLU A 33 30.018 -9.874 2.182 1.00 41.23 O ATOM 0 H GLU A 33 26.431 -9.560 3.011 1.00 52.24 H new ATOM 0 HA GLU A 33 25.286 -7.572 1.262 1.00 4.12 H new ATOM 0 HB2 GLU A 33 27.223 -8.232 -0.184 1.00 14.14 H new ATOM 0 HB3 GLU A 33 27.684 -7.734 1.431 1.00 14.14 H new ATOM 0 HG2 GLU A 33 27.587 -10.299 1.981 1.00 72.31 H new ATOM 0 HG3 GLU A 33 27.671 -10.505 0.243 1.00 72.31 H new ATOM 557 N ILE A 34 24.906 -10.769 0.657 1.00 52.11 N ATOM 558 CA ILE A 34 24.188 -11.734 -0.167 1.00 25.12 C ATOM 559 C ILE A 34 22.685 -11.485 -0.122 1.00 33.25 C ATOM 560 O ILE A 34 22.017 -11.464 -1.155 1.00 54.43 O ATOM 561 CB ILE A 34 24.472 -13.179 0.283 1.00 21.34 C ATOM 562 CG1 ILE A 34 25.881 -13.601 -0.139 1.00 71.11 C ATOM 563 CG2 ILE A 34 23.433 -14.128 -0.296 1.00 2.04 C ATOM 564 CD1 ILE A 34 26.419 -14.779 0.643 1.00 41.31 C ATOM 0 H ILE A 34 25.381 -11.174 1.464 1.00 52.11 H new ATOM 0 HA ILE A 34 24.544 -11.604 -1.189 1.00 25.12 H new ATOM 0 HB ILE A 34 24.411 -13.224 1.370 1.00 21.34 H new ATOM 0 HG12 ILE A 34 25.874 -13.852 -1.200 1.00 71.11 H new ATOM 0 HG13 ILE A 34 26.557 -12.755 -0.016 1.00 71.11 H new ATOM 0 HG21 ILE A 34 23.647 -15.145 0.031 1.00 2.04 H new ATOM 0 HG22 ILE A 34 22.441 -13.837 0.050 1.00 2.04 H new ATOM 0 HG23 ILE A 34 23.465 -14.082 -1.385 1.00 2.04 H new ATOM 0 HD11 ILE A 34 27.421 -15.023 0.290 1.00 41.31 H new ATOM 0 HD12 ILE A 34 26.459 -14.525 1.702 1.00 41.31 H new ATOM 0 HD13 ILE A 34 25.765 -15.639 0.501 1.00 41.31 H new ATOM 576 N VAL A 35 22.158 -11.296 1.084 1.00 13.01 N ATOM 577 CA VAL A 35 20.733 -11.045 1.265 1.00 72.32 C ATOM 578 C VAL A 35 20.361 -9.637 0.815 1.00 42.13 C ATOM 579 O VAL A 35 19.226 -9.382 0.413 1.00 11.21 O ATOM 580 CB VAL A 35 20.312 -11.230 2.735 1.00 25.20 C ATOM 581 CG1 VAL A 35 18.797 -11.206 2.864 1.00 1.44 C ATOM 582 CG2 VAL A 35 20.882 -12.526 3.293 1.00 44.33 C ATOM 0 H VAL A 35 22.697 -11.312 1.950 1.00 13.01 H new ATOM 0 HA VAL A 35 20.204 -11.772 0.649 1.00 72.32 H new ATOM 0 HB VAL A 35 20.715 -10.401 3.317 1.00 25.20 H new ATOM 0 HG11 VAL A 35 18.519 -11.338 3.910 1.00 1.44 H new ATOM 0 HG12 VAL A 35 18.416 -10.250 2.505 1.00 1.44 H new ATOM 0 HG13 VAL A 35 18.368 -12.013 2.270 1.00 1.44 H new ATOM 0 HG21 VAL A 35 20.575 -12.641 4.332 1.00 44.33 H new ATOM 0 HG22 VAL A 35 20.510 -13.368 2.710 1.00 44.33 H new ATOM 0 HG23 VAL A 35 21.970 -12.499 3.237 1.00 44.33 H new ATOM 592 N SER A 36 21.326 -8.725 0.884 1.00 21.42 N ATOM 593 CA SER A 36 21.100 -7.341 0.487 1.00 53.21 C ATOM 594 C SER A 36 21.045 -7.214 -1.033 1.00 4.45 C ATOM 595 O SER A 36 20.087 -6.677 -1.589 1.00 20.01 O ATOM 596 CB SER A 36 22.203 -6.441 1.046 1.00 1.42 C ATOM 597 OG SER A 36 22.406 -5.308 0.219 1.00 60.44 O ATOM 0 H SER A 36 22.272 -8.920 1.211 1.00 21.42 H new ATOM 0 HA SER A 36 20.141 -7.024 0.896 1.00 53.21 H new ATOM 0 HB2 SER A 36 21.937 -6.117 2.052 1.00 1.42 H new ATOM 0 HB3 SER A 36 23.131 -7.006 1.128 1.00 1.42 H new ATOM 0 HG SER A 36 23.115 -4.748 0.599 1.00 60.44 H new ATOM 603 N LYS A 37 22.082 -7.711 -1.699 1.00 34.21 N ATOM 604 CA LYS A 37 22.154 -7.656 -3.154 1.00 41.21 C ATOM 605 C LYS A 37 20.979 -8.395 -3.786 1.00 13.41 C ATOM 606 O LYS A 37 20.299 -7.863 -4.664 1.00 23.42 O ATOM 607 CB LYS A 37 23.472 -8.260 -3.643 1.00 63.10 C ATOM 608 CG LYS A 37 24.456 -7.229 -4.169 1.00 30.11 C ATOM 609 CD LYS A 37 23.869 -6.437 -5.325 1.00 71.22 C ATOM 610 CE LYS A 37 24.843 -5.385 -5.831 1.00 41.44 C ATOM 611 NZ LYS A 37 24.393 -4.005 -5.496 1.00 23.34 N ATOM 0 H LYS A 37 22.884 -8.157 -1.254 1.00 34.21 H new ATOM 0 HA LYS A 37 22.107 -6.610 -3.455 1.00 41.21 H new ATOM 0 HB2 LYS A 37 23.937 -8.808 -2.824 1.00 63.10 H new ATOM 0 HB3 LYS A 37 23.260 -8.983 -4.431 1.00 63.10 H new ATOM 0 HG2 LYS A 37 24.735 -6.548 -3.365 1.00 30.11 H new ATOM 0 HG3 LYS A 37 25.368 -7.729 -4.495 1.00 30.11 H new ATOM 0 HD2 LYS A 37 23.610 -7.115 -6.138 1.00 71.22 H new ATOM 0 HD3 LYS A 37 22.945 -5.955 -5.005 1.00 71.22 H new ATOM 0 HE2 LYS A 37 25.827 -5.562 -5.396 1.00 41.44 H new ATOM 0 HE3 LYS A 37 24.951 -5.480 -6.912 1.00 41.44 H new ATOM 0 HZ1 LYS A 37 25.084 -3.317 -5.858 1.00 23.34 H new ATOM 0 HZ2 LYS A 37 23.466 -3.827 -5.932 1.00 23.34 H new ATOM 0 HZ3 LYS A 37 24.315 -3.906 -4.464 1.00 23.34 H new ATOM 625 N MET A 38 20.744 -9.622 -3.332 1.00 42.34 N ATOM 626 CA MET A 38 19.649 -10.432 -3.852 1.00 54.33 C ATOM 627 C MET A 38 18.312 -9.719 -3.672 1.00 42.41 C ATOM 628 O MET A 38 17.492 -9.676 -4.589 1.00 71.51 O ATOM 629 CB MET A 38 19.613 -11.791 -3.151 1.00 4.23 C ATOM 630 CG MET A 38 18.676 -12.790 -3.809 1.00 65.51 C ATOM 631 SD MET A 38 18.363 -14.234 -2.775 1.00 64.12 S ATOM 632 CE MET A 38 16.821 -14.821 -3.471 1.00 51.12 C ATOM 0 H MET A 38 21.297 -10.077 -2.605 1.00 42.34 H new ATOM 0 HA MET A 38 19.819 -10.585 -4.918 1.00 54.33 H new ATOM 0 HB2 MET A 38 20.620 -12.208 -3.132 1.00 4.23 H new ATOM 0 HB3 MET A 38 19.308 -11.648 -2.114 1.00 4.23 H new ATOM 0 HG2 MET A 38 17.730 -12.299 -4.037 1.00 65.51 H new ATOM 0 HG3 MET A 38 19.104 -13.113 -4.758 1.00 65.51 H new ATOM 0 HE1 MET A 38 16.751 -15.901 -3.341 1.00 51.12 H new ATOM 0 HE2 MET A 38 15.986 -14.340 -2.962 1.00 51.12 H new ATOM 0 HE3 MET A 38 16.786 -14.580 -4.533 1.00 51.12 H new ATOM 642 N ASP A 39 18.100 -9.160 -2.486 1.00 22.14 N ATOM 643 CA ASP A 39 16.863 -8.448 -2.186 1.00 23.02 C ATOM 644 C ASP A 39 16.704 -7.231 -3.091 1.00 51.24 C ATOM 645 O ASP A 39 15.586 -6.817 -3.401 1.00 4.03 O ATOM 646 CB ASP A 39 16.842 -8.014 -0.719 1.00 60.42 C ATOM 647 CG ASP A 39 15.515 -7.402 -0.316 1.00 21.23 C ATOM 648 OD1 ASP A 39 14.533 -7.563 -1.070 1.00 71.44 O ATOM 649 OD2 ASP A 39 15.459 -6.762 0.755 1.00 35.51 O ATOM 0 H ASP A 39 18.769 -9.186 -1.716 1.00 22.14 H new ATOM 0 HA ASP A 39 16.029 -9.126 -2.368 1.00 23.02 H new ATOM 0 HB2 ASP A 39 17.049 -8.876 -0.085 1.00 60.42 H new ATOM 0 HB3 ASP A 39 17.640 -7.292 -0.545 1.00 60.42 H new ATOM 654 N ASP A 40 17.828 -6.662 -3.512 1.00 1.51 N ATOM 655 CA ASP A 40 17.814 -5.491 -4.382 1.00 75.41 C ATOM 656 C ASP A 40 17.267 -5.847 -5.761 1.00 54.52 C ATOM 657 O ASP A 40 16.350 -5.196 -6.263 1.00 50.14 O ATOM 658 CB ASP A 40 19.222 -4.909 -4.513 1.00 13.14 C ATOM 659 CG ASP A 40 19.259 -3.677 -5.395 1.00 40.14 C ATOM 660 OD1 ASP A 40 18.923 -2.581 -4.900 1.00 12.14 O ATOM 661 OD2 ASP A 40 19.625 -3.808 -6.582 1.00 24.53 O ATOM 0 H ASP A 40 18.761 -6.992 -3.265 1.00 1.51 H new ATOM 0 HA ASP A 40 17.161 -4.743 -3.933 1.00 75.41 H new ATOM 0 HB2 ASP A 40 19.601 -4.655 -3.523 1.00 13.14 H new ATOM 0 HB3 ASP A 40 19.889 -5.667 -4.924 1.00 13.14 H new ATOM 666 N PHE A 41 17.836 -6.882 -6.369 1.00 71.11 N ATOM 667 CA PHE A 41 17.407 -7.323 -7.691 1.00 51.44 C ATOM 668 C PHE A 41 15.983 -7.868 -7.647 1.00 74.44 C ATOM 669 O PHE A 41 15.206 -7.687 -8.586 1.00 45.54 O ATOM 670 CB PHE A 41 18.359 -8.393 -8.229 1.00 72.03 C ATOM 671 CG PHE A 41 18.935 -8.061 -9.576 1.00 5.53 C ATOM 672 CD1 PHE A 41 18.235 -7.263 -10.466 1.00 43.31 C ATOM 673 CD2 PHE A 41 20.178 -8.546 -9.951 1.00 74.42 C ATOM 674 CE1 PHE A 41 18.763 -6.954 -11.706 1.00 22.42 C ATOM 675 CE2 PHE A 41 20.711 -8.241 -11.189 1.00 73.22 C ATOM 676 CZ PHE A 41 20.002 -7.445 -12.068 1.00 62.31 C ATOM 0 H PHE A 41 18.596 -7.431 -5.967 1.00 71.11 H new ATOM 0 HA PHE A 41 17.427 -6.461 -8.358 1.00 51.44 H new ATOM 0 HB2 PHE A 41 19.174 -8.533 -7.519 1.00 72.03 H new ATOM 0 HB3 PHE A 41 17.827 -9.342 -8.294 1.00 72.03 H new ATOM 0 HD1 PHE A 41 17.265 -6.878 -10.188 1.00 43.31 H new ATOM 0 HD2 PHE A 41 20.736 -9.169 -9.268 1.00 74.42 H new ATOM 0 HE1 PHE A 41 18.207 -6.330 -12.390 1.00 22.42 H new ATOM 0 HE2 PHE A 41 21.681 -8.625 -11.469 1.00 73.22 H new ATOM 0 HZ PHE A 41 20.416 -7.207 -13.037 1.00 62.31 H new ATOM 686 N LEU A 42 15.646 -8.538 -6.551 1.00 21.51 N ATOM 687 CA LEU A 42 14.315 -9.112 -6.383 1.00 23.10 C ATOM 688 C LEU A 42 13.292 -8.028 -6.060 1.00 71.21 C ATOM 689 O LEU A 42 12.112 -8.159 -6.384 1.00 11.20 O ATOM 690 CB LEU A 42 14.328 -10.164 -5.273 1.00 23.23 C ATOM 691 CG LEU A 42 13.610 -11.478 -5.584 1.00 43.23 C ATOM 692 CD1 LEU A 42 12.103 -11.275 -5.586 1.00 1.14 C ATOM 693 CD2 LEU A 42 14.076 -12.036 -6.921 1.00 23.31 C ATOM 0 H LEU A 42 16.276 -8.697 -5.765 1.00 21.51 H new ATOM 0 HA LEU A 42 14.030 -9.587 -7.322 1.00 23.10 H new ATOM 0 HB2 LEU A 42 15.365 -10.390 -5.026 1.00 23.23 H new ATOM 0 HB3 LEU A 42 13.876 -9.728 -4.382 1.00 23.23 H new ATOM 0 HG LEU A 42 13.858 -12.199 -4.805 1.00 43.23 H new ATOM 0 HD11 LEU A 42 11.609 -12.221 -5.809 1.00 1.14 H new ATOM 0 HD12 LEU A 42 11.782 -10.920 -4.606 1.00 1.14 H new ATOM 0 HD13 LEU A 42 11.836 -10.538 -6.344 1.00 1.14 H new ATOM 0 HD21 LEU A 42 13.555 -12.971 -7.126 1.00 23.31 H new ATOM 0 HD22 LEU A 42 13.858 -11.318 -7.711 1.00 23.31 H new ATOM 0 HD23 LEU A 42 15.150 -12.220 -6.884 1.00 23.31 H new ATOM 705 N MET A 43 13.753 -6.958 -5.422 1.00 11.43 N ATOM 706 CA MET A 43 12.878 -5.849 -5.058 1.00 73.23 C ATOM 707 C MET A 43 12.465 -5.055 -6.294 1.00 11.05 C ATOM 708 O MET A 43 11.303 -4.674 -6.440 1.00 22.11 O ATOM 709 CB MET A 43 13.575 -4.928 -4.055 1.00 61.32 C ATOM 710 CG MET A 43 12.855 -3.607 -3.841 1.00 1.21 C ATOM 711 SD MET A 43 11.146 -3.825 -3.310 1.00 73.23 S ATOM 712 CE MET A 43 10.815 -2.229 -2.569 1.00 52.40 C ATOM 0 H MET A 43 14.727 -6.835 -5.146 1.00 11.43 H new ATOM 0 HA MET A 43 11.981 -6.263 -4.597 1.00 73.23 H new ATOM 0 HB2 MET A 43 13.661 -5.444 -3.099 1.00 61.32 H new ATOM 0 HB3 MET A 43 14.589 -4.728 -4.402 1.00 61.32 H new ATOM 0 HG2 MET A 43 13.392 -3.022 -3.094 1.00 1.21 H new ATOM 0 HG3 MET A 43 12.873 -3.034 -4.768 1.00 1.21 H new ATOM 0 HE1 MET A 43 10.272 -2.368 -1.634 1.00 52.40 H new ATOM 0 HE2 MET A 43 11.757 -1.718 -2.370 1.00 52.40 H new ATOM 0 HE3 MET A 43 10.214 -1.628 -3.252 1.00 52.40 H new ATOM 722 N LYS A 44 13.423 -4.808 -7.180 1.00 42.11 N ATOM 723 CA LYS A 44 13.160 -4.060 -8.404 1.00 11.24 C ATOM 724 C LYS A 44 12.312 -4.880 -9.371 1.00 12.33 C ATOM 725 O LYS A 44 11.448 -4.343 -10.064 1.00 14.41 O ATOM 726 CB LYS A 44 14.476 -3.661 -9.075 1.00 11.40 C ATOM 727 CG LYS A 44 15.385 -4.838 -9.379 1.00 24.41 C ATOM 728 CD LYS A 44 15.159 -5.370 -10.784 1.00 40.44 C ATOM 729 CE LYS A 44 16.001 -4.620 -11.806 1.00 33.12 C ATOM 730 NZ LYS A 44 15.584 -4.929 -13.202 1.00 10.22 N ATOM 0 H LYS A 44 14.390 -5.115 -7.074 1.00 42.11 H new ATOM 0 HA LYS A 44 12.607 -3.159 -8.138 1.00 11.24 H new ATOM 0 HB2 LYS A 44 14.256 -3.134 -10.003 1.00 11.40 H new ATOM 0 HB3 LYS A 44 15.006 -2.961 -8.429 1.00 11.40 H new ATOM 0 HG2 LYS A 44 16.426 -4.533 -9.268 1.00 24.41 H new ATOM 0 HG3 LYS A 44 15.206 -5.633 -8.655 1.00 24.41 H new ATOM 0 HD2 LYS A 44 15.405 -6.431 -10.816 1.00 40.44 H new ATOM 0 HD3 LYS A 44 14.104 -5.280 -11.043 1.00 40.44 H new ATOM 0 HE2 LYS A 44 15.915 -3.548 -11.630 1.00 33.12 H new ATOM 0 HE3 LYS A 44 17.051 -4.882 -11.674 1.00 33.12 H new ATOM 0 HZ1 LYS A 44 15.786 -4.113 -13.814 1.00 10.22 H new ATOM 0 HZ2 LYS A 44 16.110 -5.758 -13.546 1.00 10.22 H new ATOM 0 HZ3 LYS A 44 14.564 -5.133 -13.223 1.00 10.22 H new ATOM 744 N LYS A 45 12.563 -6.184 -9.412 1.00 3.33 N ATOM 745 CA LYS A 45 11.822 -7.079 -10.291 1.00 74.24 C ATOM 746 C LYS A 45 10.347 -7.123 -9.905 1.00 55.44 C ATOM 747 O LYS A 45 9.470 -6.902 -10.741 1.00 12.13 O ATOM 748 CB LYS A 45 12.416 -8.488 -10.237 1.00 74.50 C ATOM 749 CG LYS A 45 11.520 -9.550 -10.852 1.00 21.22 C ATOM 750 CD LYS A 45 12.141 -10.933 -10.746 1.00 42.14 C ATOM 751 CE LYS A 45 12.486 -11.495 -12.117 1.00 50.00 C ATOM 752 NZ LYS A 45 12.144 -12.940 -12.226 1.00 22.32 N ATOM 0 H LYS A 45 13.275 -6.645 -8.845 1.00 3.33 H new ATOM 0 HA LYS A 45 11.902 -6.696 -11.308 1.00 74.24 H new ATOM 0 HB2 LYS A 45 13.375 -8.489 -10.755 1.00 74.50 H new ATOM 0 HB3 LYS A 45 12.615 -8.750 -9.198 1.00 74.50 H new ATOM 0 HG2 LYS A 45 10.552 -9.545 -10.351 1.00 21.22 H new ATOM 0 HG3 LYS A 45 11.338 -9.311 -11.900 1.00 21.22 H new ATOM 0 HD2 LYS A 45 13.042 -10.883 -10.135 1.00 42.14 H new ATOM 0 HD3 LYS A 45 11.449 -11.606 -10.239 1.00 42.14 H new ATOM 0 HE2 LYS A 45 11.950 -10.936 -12.884 1.00 50.00 H new ATOM 0 HE3 LYS A 45 13.550 -11.358 -12.308 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 12.283 -13.257 -13.207 1.00 22.32 H new ATOM 0 HZ2 LYS A 45 12.759 -13.491 -11.594 1.00 22.32 H new ATOM 0 HZ3 LYS A 45 11.151 -13.083 -11.953 1.00 22.32 H new ATOM 766 N SER A 46 10.080 -7.407 -8.635 1.00 2.04 N ATOM 767 CA SER A 46 8.711 -7.481 -8.139 1.00 31.33 C ATOM 768 C SER A 46 8.002 -6.140 -8.299 1.00 34.14 C ATOM 769 O SER A 46 6.777 -6.081 -8.416 1.00 24.44 O ATOM 770 CB SER A 46 8.701 -7.904 -6.668 1.00 73.45 C ATOM 771 OG SER A 46 7.425 -8.388 -6.286 1.00 30.13 O ATOM 0 H SER A 46 10.794 -7.590 -7.930 1.00 2.04 H new ATOM 0 HA SER A 46 8.177 -8.227 -8.728 1.00 31.33 H new ATOM 0 HB2 SER A 46 9.451 -8.677 -6.504 1.00 73.45 H new ATOM 0 HB3 SER A 46 8.975 -7.056 -6.040 1.00 73.45 H new ATOM 0 HG SER A 46 7.445 -8.653 -5.343 1.00 30.13 H new ATOM 777 N LYS A 47 8.780 -5.063 -8.303 1.00 30.23 N ATOM 778 CA LYS A 47 8.229 -3.721 -8.449 1.00 64.13 C ATOM 779 C LYS A 47 7.776 -3.473 -9.884 1.00 54.13 C ATOM 780 O LYS A 47 6.857 -2.690 -10.128 1.00 0.12 O ATOM 781 CB LYS A 47 9.269 -2.674 -8.044 1.00 0.15 C ATOM 782 CG LYS A 47 9.856 -1.912 -9.219 1.00 70.23 C ATOM 783 CD LYS A 47 8.961 -0.758 -9.638 1.00 44.33 C ATOM 784 CE LYS A 47 9.578 0.585 -9.276 1.00 72.12 C ATOM 785 NZ LYS A 47 9.099 1.076 -7.954 1.00 44.55 N ATOM 0 H LYS A 47 9.795 -5.093 -8.207 1.00 30.23 H new ATOM 0 HA LYS A 47 7.363 -3.637 -7.793 1.00 64.13 H new ATOM 0 HB2 LYS A 47 8.809 -1.965 -7.356 1.00 0.15 H new ATOM 0 HB3 LYS A 47 10.076 -3.167 -7.502 1.00 0.15 H new ATOM 0 HG2 LYS A 47 10.841 -1.531 -8.951 1.00 70.23 H new ATOM 0 HG3 LYS A 47 9.995 -2.590 -10.061 1.00 70.23 H new ATOM 0 HD2 LYS A 47 8.788 -0.802 -10.713 1.00 44.33 H new ATOM 0 HD3 LYS A 47 7.989 -0.856 -9.154 1.00 44.33 H new ATOM 0 HE2 LYS A 47 10.664 0.493 -9.258 1.00 72.12 H new ATOM 0 HE3 LYS A 47 9.333 1.317 -10.046 1.00 72.12 H new ATOM 0 HZ1 LYS A 47 9.542 1.993 -7.743 1.00 44.55 H new ATOM 0 HZ2 LYS A 47 8.065 1.188 -7.979 1.00 44.55 H new ATOM 0 HZ3 LYS A 47 9.355 0.390 -7.215 1.00 44.55 H new ATOM 799 N ILE A 48 8.424 -4.145 -10.830 1.00 32.15 N ATOM 800 CA ILE A 48 8.084 -3.999 -12.239 1.00 44.35 C ATOM 801 C ILE A 48 6.850 -4.820 -12.596 1.00 12.22 C ATOM 802 O ILE A 48 6.060 -4.432 -13.458 1.00 64.12 O ATOM 803 CB ILE A 48 9.252 -4.428 -13.147 1.00 42.02 C ATOM 804 CG1 ILE A 48 10.457 -3.509 -12.934 1.00 53.24 C ATOM 805 CG2 ILE A 48 8.821 -4.416 -14.606 1.00 60.11 C ATOM 806 CD1 ILE A 48 11.786 -4.225 -13.024 1.00 3.45 C ATOM 0 H ILE A 48 9.187 -4.796 -10.645 1.00 32.15 H new ATOM 0 HA ILE A 48 7.874 -2.942 -12.404 1.00 44.35 H new ATOM 0 HB ILE A 48 9.543 -5.445 -12.883 1.00 42.02 H new ATOM 0 HG12 ILE A 48 10.432 -2.712 -13.677 1.00 53.24 H new ATOM 0 HG13 ILE A 48 10.374 -3.035 -11.956 1.00 53.24 H new ATOM 0 HG21 ILE A 48 9.657 -4.721 -15.235 1.00 60.11 H new ATOM 0 HG22 ILE A 48 7.990 -5.108 -14.746 1.00 60.11 H new ATOM 0 HG23 ILE A 48 8.506 -3.410 -14.884 1.00 60.11 H new ATOM 0 HD11 ILE A 48 12.595 -3.512 -12.863 1.00 3.45 H new ATOM 0 HD12 ILE A 48 11.832 -5.004 -12.263 1.00 3.45 H new ATOM 0 HD13 ILE A 48 11.890 -4.676 -14.011 1.00 3.45 H new ATOM 818 N LEU A 49 6.688 -5.955 -11.926 1.00 32.34 N ATOM 819 CA LEU A 49 5.547 -6.832 -12.170 1.00 4.43 C ATOM 820 C LEU A 49 4.241 -6.144 -11.788 1.00 55.32 C ATOM 821 O LEU A 49 3.165 -6.541 -12.233 1.00 72.53 O ATOM 822 CB LEU A 49 5.701 -8.133 -11.381 1.00 22.14 C ATOM 823 CG LEU A 49 7.099 -8.752 -11.373 1.00 4.14 C ATOM 824 CD1 LEU A 49 7.037 -10.205 -10.928 1.00 45.03 C ATOM 825 CD2 LEU A 49 7.740 -8.640 -12.748 1.00 41.24 C ATOM 0 H LEU A 49 7.332 -6.290 -11.209 1.00 32.34 H new ATOM 0 HA LEU A 49 5.517 -7.062 -13.235 1.00 4.43 H new ATOM 0 HB2 LEU A 49 5.402 -7.946 -10.349 1.00 22.14 H new ATOM 0 HB3 LEU A 49 5.004 -8.866 -11.787 1.00 22.14 H new ATOM 0 HG LEU A 49 7.715 -8.202 -10.662 1.00 4.14 H new ATOM 0 HD11 LEU A 49 8.041 -10.629 -10.929 1.00 45.03 H new ATOM 0 HD12 LEU A 49 6.620 -10.260 -9.922 1.00 45.03 H new ATOM 0 HD13 LEU A 49 6.405 -10.769 -11.614 1.00 45.03 H new ATOM 0 HD21 LEU A 49 8.734 -9.086 -12.723 1.00 41.24 H new ATOM 0 HD22 LEU A 49 7.125 -9.164 -13.480 1.00 41.24 H new ATOM 0 HD23 LEU A 49 7.820 -7.590 -13.028 1.00 41.24 H new ATOM 837 N GLY A 50 4.342 -5.107 -10.962 1.00 5.11 N ATOM 838 CA GLY A 50 3.162 -4.379 -10.536 1.00 54.32 C ATOM 839 C GLY A 50 3.344 -2.876 -10.624 1.00 30.42 C ATOM 840 O GLY A 50 2.851 -2.133 -9.776 1.00 15.33 O ATOM 0 H GLY A 50 5.221 -4.758 -10.580 1.00 5.11 H new ATOM 0 HA2 GLY A 50 2.314 -4.676 -11.153 1.00 54.32 H new ATOM 0 HA3 GLY A 50 2.921 -4.653 -9.509 1.00 54.32 H new ATOM 844 N LYS A 51 4.056 -2.427 -11.652 1.00 23.43 N ATOM 845 CA LYS A 51 4.304 -1.004 -11.848 1.00 30.01 C ATOM 846 C LYS A 51 3.408 -0.442 -12.948 1.00 24.54 C ATOM 847 O LYS A 51 3.108 -1.125 -13.928 1.00 32.14 O ATOM 848 CB LYS A 51 5.774 -0.765 -12.201 1.00 32.02 C ATOM 849 CG LYS A 51 6.452 0.265 -11.314 1.00 65.23 C ATOM 850 CD LYS A 51 5.678 1.572 -11.284 1.00 62.25 C ATOM 851 CE LYS A 51 6.577 2.744 -10.921 1.00 71.12 C ATOM 852 NZ LYS A 51 5.824 4.028 -10.881 1.00 44.31 N ATOM 0 H LYS A 51 4.472 -3.029 -12.363 1.00 23.43 H new ATOM 0 HA LYS A 51 4.072 -0.489 -10.916 1.00 30.01 H new ATOM 0 HB2 LYS A 51 6.315 -1.708 -12.127 1.00 32.02 H new ATOM 0 HB3 LYS A 51 5.842 -0.439 -13.239 1.00 32.02 H new ATOM 0 HG2 LYS A 51 6.542 -0.129 -10.302 1.00 65.23 H new ATOM 0 HG3 LYS A 51 7.464 0.449 -11.676 1.00 65.23 H new ATOM 0 HD2 LYS A 51 5.223 1.749 -12.259 1.00 62.25 H new ATOM 0 HD3 LYS A 51 4.865 1.498 -10.562 1.00 62.25 H new ATOM 0 HE2 LYS A 51 7.037 2.562 -9.950 1.00 71.12 H new ATOM 0 HE3 LYS A 51 7.386 2.820 -11.647 1.00 71.12 H new ATOM 0 HZ1 LYS A 51 6.475 4.805 -10.647 1.00 44.31 H new ATOM 0 HZ2 LYS A 51 5.392 4.206 -11.810 1.00 44.31 H new ATOM 0 HZ3 LYS A 51 5.079 3.971 -10.158 1.00 44.31 H new ATOM 866 N THR A 52 2.985 0.807 -12.780 1.00 64.30 N ATOM 867 CA THR A 52 2.125 1.460 -13.758 1.00 72.01 C ATOM 868 C THR A 52 2.808 1.551 -15.118 1.00 21.12 C ATOM 869 O THR A 52 4.031 1.659 -15.202 1.00 55.04 O ATOM 870 CB THR A 52 1.728 2.876 -13.300 1.00 73.01 C ATOM 871 OG1 THR A 52 2.148 3.089 -11.948 1.00 13.32 O ATOM 872 CG2 THR A 52 0.224 3.077 -13.407 1.00 54.41 C ATOM 0 H THR A 52 3.224 1.386 -11.975 1.00 64.30 H new ATOM 0 HA THR A 52 1.227 0.849 -13.846 1.00 72.01 H new ATOM 0 HB THR A 52 2.222 3.597 -13.951 1.00 73.01 H new ATOM 0 HG1 THR A 52 3.095 3.339 -11.935 1.00 13.32 H new ATOM 0 HG21 THR A 52 -0.033 4.084 -13.078 1.00 54.41 H new ATOM 0 HG22 THR A 52 -0.088 2.943 -14.443 1.00 54.41 H new ATOM 0 HG23 THR A 52 -0.286 2.348 -12.777 1.00 54.41 H new ATOM 880 N ASN A 53 2.010 1.507 -16.180 1.00 3.11 N ATOM 881 CA ASN A 53 2.539 1.585 -17.537 1.00 22.22 C ATOM 882 C ASN A 53 3.254 2.913 -17.767 1.00 24.34 C ATOM 883 O ASN A 53 4.072 3.041 -18.678 1.00 23.11 O ATOM 884 CB ASN A 53 1.411 1.417 -18.557 1.00 10.34 C ATOM 885 CG ASN A 53 0.175 2.215 -18.188 1.00 42.30 C ATOM 886 OD1 ASN A 53 0.252 3.418 -17.937 1.00 15.03 O ATOM 887 ND2 ASN A 53 -0.972 1.547 -18.154 1.00 41.20 N ATOM 0 H ASN A 53 0.995 1.418 -16.127 1.00 3.11 H new ATOM 0 HA ASN A 53 3.260 0.778 -17.666 1.00 22.22 H new ATOM 0 HB2 ASN A 53 1.763 1.731 -19.539 1.00 10.34 H new ATOM 0 HB3 ASN A 53 1.149 0.362 -18.635 1.00 10.34 H new ATOM 0 HD21 ASN A 53 -1.837 2.031 -17.912 1.00 41.20 H new ATOM 0 HD22 ASN A 53 -0.988 0.550 -18.369 1.00 41.20 H new ATOM 894 N LYS A 54 2.941 3.899 -16.933 1.00 40.13 N ATOM 895 CA LYS A 54 3.554 5.218 -17.043 1.00 30.43 C ATOM 896 C LYS A 54 5.054 5.144 -16.776 1.00 40.01 C ATOM 897 O LYS A 54 5.842 5.838 -17.418 1.00 53.20 O ATOM 898 CB LYS A 54 2.898 6.191 -16.061 1.00 33.22 C ATOM 899 CG LYS A 54 1.391 6.294 -16.222 1.00 70.11 C ATOM 900 CD LYS A 54 1.013 7.296 -17.300 1.00 12.12 C ATOM 901 CE LYS A 54 1.107 6.683 -18.689 1.00 3.33 C ATOM 902 NZ LYS A 54 0.107 7.270 -19.623 1.00 31.31 N ATOM 0 H LYS A 54 2.266 3.810 -16.173 1.00 40.13 H new ATOM 0 HA LYS A 54 3.401 5.579 -18.060 1.00 30.43 H new ATOM 0 HB2 LYS A 54 3.125 5.875 -15.043 1.00 33.22 H new ATOM 0 HB3 LYS A 54 3.338 7.180 -16.194 1.00 33.22 H new ATOM 0 HG2 LYS A 54 0.983 5.315 -16.475 1.00 70.11 H new ATOM 0 HG3 LYS A 54 0.942 6.591 -15.274 1.00 70.11 H new ATOM 0 HD2 LYS A 54 -0.002 7.653 -17.127 1.00 12.12 H new ATOM 0 HD3 LYS A 54 1.670 8.163 -17.239 1.00 12.12 H new ATOM 0 HE2 LYS A 54 2.110 6.837 -19.087 1.00 3.33 H new ATOM 0 HE3 LYS A 54 0.953 5.606 -18.622 1.00 3.33 H new ATOM 0 HZ1 LYS A 54 0.203 6.826 -20.559 1.00 31.31 H new ATOM 0 HZ2 LYS A 54 -0.851 7.101 -19.257 1.00 31.31 H new ATOM 0 HZ3 LYS A 54 0.270 8.294 -19.707 1.00 31.31 H new ATOM 916 N GLN A 55 5.441 4.298 -15.827 1.00 11.12 N ATOM 917 CA GLN A 55 6.847 4.134 -15.477 1.00 10.30 C ATOM 918 C GLN A 55 7.462 2.959 -16.230 1.00 32.15 C ATOM 919 O GLN A 55 8.650 2.969 -16.554 1.00 51.14 O ATOM 920 CB GLN A 55 6.998 3.925 -13.969 1.00 42.22 C ATOM 921 CG GLN A 55 7.590 5.124 -13.245 1.00 63.52 C ATOM 922 CD GLN A 55 8.900 5.584 -13.854 1.00 1.34 C ATOM 923 OE1 GLN A 55 8.920 6.445 -14.734 1.00 62.44 O ATOM 924 NE2 GLN A 55 10.004 5.013 -13.386 1.00 12.02 N ATOM 0 H GLN A 55 4.801 3.716 -15.287 1.00 11.12 H new ATOM 0 HA GLN A 55 7.376 5.043 -15.765 1.00 10.30 H new ATOM 0 HB2 GLN A 55 6.021 3.699 -13.542 1.00 42.22 H new ATOM 0 HB3 GLN A 55 7.631 3.056 -13.793 1.00 42.22 H new ATOM 0 HG2 GLN A 55 6.875 5.946 -13.267 1.00 63.52 H new ATOM 0 HG3 GLN A 55 7.750 4.869 -12.198 1.00 63.52 H new ATOM 0 HE21 GLN A 55 9.941 4.303 -12.656 1.00 12.02 H new ATOM 0 HE22 GLN A 55 10.915 5.284 -13.757 1.00 12.02 H new ATOM 933 N LEU A 56 6.646 1.947 -16.504 1.00 22.34 N ATOM 934 CA LEU A 56 7.110 0.762 -17.218 1.00 51.42 C ATOM 935 C LEU A 56 7.611 1.129 -18.611 1.00 62.45 C ATOM 936 O LEU A 56 6.917 1.798 -19.377 1.00 41.14 O ATOM 937 CB LEU A 56 5.984 -0.267 -17.323 1.00 72.53 C ATOM 938 CG LEU A 56 6.318 -1.553 -18.081 1.00 24.05 C ATOM 939 CD1 LEU A 56 5.512 -2.720 -17.533 1.00 74.34 C ATOM 940 CD2 LEU A 56 6.062 -1.377 -19.570 1.00 51.31 C ATOM 0 H LEU A 56 5.660 1.923 -16.243 1.00 22.34 H new ATOM 0 HA LEU A 56 7.938 0.329 -16.656 1.00 51.42 H new ATOM 0 HB2 LEU A 56 5.669 -0.535 -16.315 1.00 72.53 H new ATOM 0 HB3 LEU A 56 5.131 0.206 -17.809 1.00 72.53 H new ATOM 0 HG LEU A 56 7.376 -1.771 -17.939 1.00 24.05 H new ATOM 0 HD11 LEU A 56 5.763 -3.626 -18.084 1.00 74.34 H new ATOM 0 HD12 LEU A 56 5.747 -2.861 -16.478 1.00 74.34 H new ATOM 0 HD13 LEU A 56 4.448 -2.511 -17.643 1.00 74.34 H new ATOM 0 HD21 LEU A 56 6.305 -2.302 -20.093 1.00 51.31 H new ATOM 0 HD22 LEU A 56 5.012 -1.134 -19.732 1.00 51.31 H new ATOM 0 HD23 LEU A 56 6.685 -0.569 -19.953 1.00 51.31 H new ATOM 952 N THR A 57 8.821 0.683 -18.936 1.00 3.45 N ATOM 953 CA THR A 57 9.415 0.963 -20.237 1.00 25.14 C ATOM 954 C THR A 57 9.965 -0.308 -20.874 1.00 44.33 C ATOM 955 O THR A 57 9.777 -1.407 -20.353 1.00 12.10 O ATOM 956 CB THR A 57 10.549 2.000 -20.125 1.00 50.04 C ATOM 957 OG1 THR A 57 11.686 1.416 -19.480 1.00 60.34 O ATOM 958 CG2 THR A 57 10.089 3.222 -19.345 1.00 44.42 C ATOM 0 H THR A 57 9.409 0.126 -18.315 1.00 3.45 H new ATOM 0 HA THR A 57 8.623 1.369 -20.866 1.00 25.14 H new ATOM 0 HB THR A 57 10.825 2.314 -21.132 1.00 50.04 H new ATOM 0 HG1 THR A 57 12.366 2.105 -19.328 1.00 60.34 H new ATOM 0 HG21 THR A 57 10.906 3.940 -19.279 1.00 44.42 H new ATOM 0 HG22 THR A 57 9.242 3.682 -19.855 1.00 44.42 H new ATOM 0 HG23 THR A 57 9.788 2.921 -18.341 1.00 44.42 H new ATOM 966 N ARG A 58 10.647 -0.150 -22.004 1.00 53.05 N ATOM 967 CA ARG A 58 11.224 -1.286 -22.713 1.00 51.45 C ATOM 968 C ARG A 58 12.071 -2.139 -21.775 1.00 24.15 C ATOM 969 O ARG A 58 12.063 -3.367 -21.858 1.00 71.22 O ATOM 970 CB ARG A 58 12.076 -0.801 -23.888 1.00 73.32 C ATOM 971 CG ARG A 58 12.686 -1.929 -24.704 1.00 24.34 C ATOM 972 CD ARG A 58 13.122 -1.449 -26.079 1.00 65.52 C ATOM 973 NE ARG A 58 12.003 -0.921 -26.855 1.00 5.14 N ATOM 974 CZ ARG A 58 11.120 -1.686 -27.485 1.00 72.43 C ATOM 975 NH1 ARG A 58 11.224 -3.007 -27.432 1.00 23.00 N ATOM 976 NH2 ARG A 58 10.129 -1.131 -28.171 1.00 13.13 N ATOM 0 H ARG A 58 10.813 0.753 -22.448 1.00 53.05 H new ATOM 0 HA ARG A 58 10.406 -1.898 -23.094 1.00 51.45 H new ATOM 0 HB2 ARG A 58 11.460 -0.183 -24.541 1.00 73.32 H new ATOM 0 HB3 ARG A 58 12.876 -0.165 -23.508 1.00 73.32 H new ATOM 0 HG2 ARG A 58 13.544 -2.341 -24.173 1.00 24.34 H new ATOM 0 HG3 ARG A 58 11.960 -2.735 -24.812 1.00 24.34 H new ATOM 0 HD2 ARG A 58 13.883 -0.677 -25.969 1.00 65.52 H new ATOM 0 HD3 ARG A 58 13.582 -2.275 -26.622 1.00 65.52 H new ATOM 0 HE ARG A 58 11.894 0.091 -26.916 1.00 5.14 H new ATOM 0 HH11 ARG A 58 11.984 -3.438 -26.906 1.00 23.00 H new ATOM 0 HH12 ARG A 58 10.544 -3.592 -27.917 1.00 23.00 H new ATOM 0 HH21 ARG A 58 10.045 -0.115 -28.215 1.00 13.13 H new ATOM 0 HH22 ARG A 58 9.451 -1.720 -28.655 1.00 13.13 H new ATOM 990 N SER A 59 12.802 -1.480 -20.882 1.00 5.44 N ATOM 991 CA SER A 59 13.659 -2.177 -19.930 1.00 31.33 C ATOM 992 C SER A 59 12.880 -3.262 -19.192 1.00 22.20 C ATOM 993 O SER A 59 13.429 -4.307 -18.843 1.00 63.41 O ATOM 994 CB SER A 59 14.253 -1.188 -18.925 1.00 40.34 C ATOM 995 OG SER A 59 14.442 0.087 -19.516 1.00 34.42 O ATOM 0 H SER A 59 12.818 -0.464 -20.798 1.00 5.44 H new ATOM 0 HA SER A 59 14.469 -2.649 -20.486 1.00 31.33 H new ATOM 0 HB2 SER A 59 13.591 -1.099 -18.063 1.00 40.34 H new ATOM 0 HB3 SER A 59 15.206 -1.567 -18.557 1.00 40.34 H new ATOM 0 HG SER A 59 13.622 0.616 -19.422 1.00 34.42 H new ATOM 1001 N ASP A 60 11.598 -3.006 -18.958 1.00 0.40 N ATOM 1002 CA ASP A 60 10.742 -3.960 -18.263 1.00 12.43 C ATOM 1003 C ASP A 60 10.393 -5.137 -19.168 1.00 1.01 C ATOM 1004 O ASP A 60 10.267 -6.271 -18.706 1.00 70.34 O ATOM 1005 CB ASP A 60 9.462 -3.273 -17.782 1.00 63.22 C ATOM 1006 CG ASP A 60 8.220 -4.087 -18.086 1.00 53.22 C ATOM 1007 OD1 ASP A 60 7.836 -4.922 -17.241 1.00 4.01 O ATOM 1008 OD2 ASP A 60 7.631 -3.889 -19.170 1.00 11.11 O ATOM 0 H ASP A 60 11.128 -2.145 -19.240 1.00 0.40 H new ATOM 0 HA ASP A 60 11.288 -4.339 -17.399 1.00 12.43 H new ATOM 0 HB2 ASP A 60 9.527 -3.102 -16.708 1.00 63.22 H new ATOM 0 HB3 ASP A 60 9.377 -2.295 -18.256 1.00 63.22 H new ATOM 1013 N ARG A 61 10.238 -4.859 -20.458 1.00 73.12 N ATOM 1014 CA ARG A 61 9.901 -5.895 -21.428 1.00 2.44 C ATOM 1015 C ARG A 61 11.132 -6.719 -21.792 1.00 44.01 C ATOM 1016 O ARG A 61 11.027 -7.906 -22.099 1.00 42.11 O ATOM 1017 CB ARG A 61 9.302 -5.268 -22.688 1.00 45.12 C ATOM 1018 CG ARG A 61 7.907 -5.774 -23.016 1.00 42.31 C ATOM 1019 CD ARG A 61 6.854 -4.707 -22.762 1.00 52.32 C ATOM 1020 NE ARG A 61 5.631 -4.953 -23.521 1.00 72.42 N ATOM 1021 CZ ARG A 61 4.686 -4.039 -23.710 1.00 42.24 C ATOM 1022 NH1 ARG A 61 4.824 -2.823 -23.199 1.00 33.41 N ATOM 1023 NH2 ARG A 61 3.601 -4.339 -24.413 1.00 23.20 N ATOM 0 H ARG A 61 10.340 -3.925 -20.856 1.00 73.12 H new ATOM 0 HA ARG A 61 9.163 -6.557 -20.974 1.00 2.44 H new ATOM 0 HB2 ARG A 61 9.267 -4.186 -22.563 1.00 45.12 H new ATOM 0 HB3 ARG A 61 9.961 -5.470 -23.533 1.00 45.12 H new ATOM 0 HG2 ARG A 61 7.867 -6.085 -24.060 1.00 42.31 H new ATOM 0 HG3 ARG A 61 7.687 -6.655 -22.413 1.00 42.31 H new ATOM 0 HD2 ARG A 61 6.620 -4.675 -21.698 1.00 52.32 H new ATOM 0 HD3 ARG A 61 7.256 -3.730 -23.030 1.00 52.32 H new ATOM 0 HE ARG A 61 5.495 -5.878 -23.929 1.00 72.42 H new ATOM 0 HH11 ARG A 61 5.657 -2.588 -22.660 1.00 33.41 H new ATOM 0 HH12 ARG A 61 4.097 -2.123 -23.345 1.00 33.41 H new ATOM 0 HH21 ARG A 61 3.492 -5.273 -24.809 1.00 23.20 H new ATOM 0 HH22 ARG A 61 2.876 -3.636 -24.557 1.00 23.20 H new ATOM 1037 N GLU A 62 12.298 -6.080 -21.756 1.00 32.40 N ATOM 1038 CA GLU A 62 13.548 -6.755 -22.084 1.00 3.01 C ATOM 1039 C GLU A 62 13.970 -7.695 -20.959 1.00 24.42 C ATOM 1040 O GLU A 62 14.544 -8.757 -21.204 1.00 11.21 O ATOM 1041 CB GLU A 62 14.653 -5.730 -22.348 1.00 12.52 C ATOM 1042 CG GLU A 62 15.016 -5.591 -23.817 1.00 2.34 C ATOM 1043 CD GLU A 62 16.193 -4.661 -24.041 1.00 53.22 C ATOM 1044 OE1 GLU A 62 16.223 -3.581 -23.414 1.00 31.20 O ATOM 1045 OE2 GLU A 62 17.083 -5.012 -24.844 1.00 34.14 O ATOM 0 H GLU A 62 12.402 -5.097 -21.503 1.00 32.40 H new ATOM 0 HA GLU A 62 13.386 -7.345 -22.986 1.00 3.01 H new ATOM 0 HB2 GLU A 62 14.335 -4.759 -21.968 1.00 12.52 H new ATOM 0 HB3 GLU A 62 15.543 -6.016 -21.788 1.00 12.52 H new ATOM 0 HG2 GLU A 62 15.252 -6.574 -24.224 1.00 2.34 H new ATOM 0 HG3 GLU A 62 14.152 -5.217 -24.367 1.00 2.34 H new ATOM 1052 N VAL A 63 13.683 -7.297 -19.724 1.00 31.45 N ATOM 1053 CA VAL A 63 14.032 -8.104 -18.560 1.00 14.42 C ATOM 1054 C VAL A 63 13.026 -9.230 -18.350 1.00 71.03 C ATOM 1055 O VAL A 63 13.401 -10.366 -18.056 1.00 43.23 O ATOM 1056 CB VAL A 63 14.099 -7.246 -17.282 1.00 55.23 C ATOM 1057 CG1 VAL A 63 15.164 -6.168 -17.418 1.00 32.55 C ATOM 1058 CG2 VAL A 63 12.740 -6.629 -16.983 1.00 63.52 C ATOM 0 H VAL A 63 13.210 -6.421 -19.503 1.00 31.45 H new ATOM 0 HA VAL A 63 15.016 -8.531 -18.755 1.00 14.42 H new ATOM 0 HB VAL A 63 14.372 -7.890 -16.446 1.00 55.23 H new ATOM 0 HG11 VAL A 63 15.197 -5.572 -16.506 1.00 32.55 H new ATOM 0 HG12 VAL A 63 16.135 -6.635 -17.582 1.00 32.55 H new ATOM 0 HG13 VAL A 63 14.924 -5.524 -18.264 1.00 32.55 H new ATOM 0 HG21 VAL A 63 12.805 -6.026 -16.077 1.00 63.52 H new ATOM 0 HG22 VAL A 63 12.435 -5.998 -17.818 1.00 63.52 H new ATOM 0 HG23 VAL A 63 12.005 -7.421 -16.840 1.00 63.52 H new ATOM 1068 N LEU A 64 11.746 -8.909 -18.504 1.00 0.11 N ATOM 1069 CA LEU A 64 10.684 -9.894 -18.332 1.00 61.32 C ATOM 1070 C LEU A 64 10.804 -11.010 -19.366 1.00 11.33 C ATOM 1071 O LEU A 64 10.741 -12.192 -19.028 1.00 11.11 O ATOM 1072 CB LEU A 64 9.315 -9.222 -18.447 1.00 34.54 C ATOM 1073 CG LEU A 64 8.633 -8.859 -17.127 1.00 73.41 C ATOM 1074 CD1 LEU A 64 9.632 -8.241 -16.162 1.00 43.11 C ATOM 1075 CD2 LEU A 64 7.468 -7.911 -17.372 1.00 20.12 C ATOM 0 H LEU A 64 11.419 -7.974 -18.748 1.00 0.11 H new ATOM 0 HA LEU A 64 10.785 -10.331 -17.339 1.00 61.32 H new ATOM 0 HB2 LEU A 64 9.427 -8.312 -19.037 1.00 34.54 H new ATOM 0 HB3 LEU A 64 8.653 -9.884 -19.005 1.00 34.54 H new ATOM 0 HG LEU A 64 8.244 -9.773 -16.678 1.00 73.41 H new ATOM 0 HD11 LEU A 64 9.128 -7.989 -15.229 1.00 43.11 H new ATOM 0 HD12 LEU A 64 10.433 -8.953 -15.962 1.00 43.11 H new ATOM 0 HD13 LEU A 64 10.052 -7.337 -16.603 1.00 43.11 H new ATOM 0 HD21 LEU A 64 6.994 -7.663 -16.422 1.00 20.12 H new ATOM 0 HD22 LEU A 64 7.834 -6.999 -17.844 1.00 20.12 H new ATOM 0 HD23 LEU A 64 6.740 -8.391 -18.026 1.00 20.12 H new ATOM 1087 N ASP A 65 10.979 -10.626 -20.625 1.00 41.42 N ATOM 1088 CA ASP A 65 11.111 -11.593 -21.708 1.00 64.23 C ATOM 1089 C ASP A 65 12.408 -12.385 -21.574 1.00 21.43 C ATOM 1090 O ASP A 65 12.421 -13.605 -21.736 1.00 4.24 O ATOM 1091 CB ASP A 65 11.071 -10.883 -23.063 1.00 20.54 C ATOM 1092 CG ASP A 65 10.362 -11.702 -24.124 1.00 1.41 C ATOM 1093 OD1 ASP A 65 9.122 -11.827 -24.047 1.00 32.35 O ATOM 1094 OD2 ASP A 65 11.047 -12.215 -25.032 1.00 63.35 O ATOM 0 H ASP A 65 11.033 -9.651 -20.921 1.00 41.42 H new ATOM 0 HA ASP A 65 10.273 -12.288 -21.645 1.00 64.23 H new ATOM 0 HB2 ASP A 65 10.567 -9.923 -22.952 1.00 20.54 H new ATOM 0 HB3 ASP A 65 12.089 -10.673 -23.390 1.00 20.54 H new ATOM 1099 N ASN A 66 13.497 -11.683 -21.278 1.00 12.14 N ATOM 1100 CA ASN A 66 14.799 -12.321 -21.123 1.00 43.50 C ATOM 1101 C ASN A 66 14.802 -13.269 -19.928 1.00 61.54 C ATOM 1102 O ASN A 66 15.313 -14.386 -20.012 1.00 33.55 O ATOM 1103 CB ASN A 66 15.891 -11.263 -20.951 1.00 1.43 C ATOM 1104 CG ASN A 66 17.272 -11.874 -20.812 1.00 11.04 C ATOM 1105 OD1 ASN A 66 17.900 -11.782 -19.757 1.00 3.11 O ATOM 1106 ND2 ASN A 66 17.751 -12.502 -21.879 1.00 33.51 N ATOM 0 H ASN A 66 13.504 -10.672 -21.141 1.00 12.14 H new ATOM 0 HA ASN A 66 15.001 -12.900 -22.024 1.00 43.50 H new ATOM 0 HB2 ASN A 66 15.879 -10.590 -21.808 1.00 1.43 H new ATOM 0 HB3 ASN A 66 15.673 -10.660 -20.069 1.00 1.43 H new ATOM 0 HD21 ASN A 66 18.675 -12.933 -21.845 1.00 33.51 H new ATOM 0 HD22 ASN A 66 17.195 -12.554 -22.733 1.00 33.51 H new ATOM 1113 N TRP A 67 14.228 -12.817 -18.820 1.00 22.14 N ATOM 1114 CA TRP A 67 14.164 -13.626 -17.608 1.00 32.13 C ATOM 1115 C TRP A 67 13.236 -14.821 -17.800 1.00 25.15 C ATOM 1116 O TRP A 67 13.488 -15.904 -17.272 1.00 31.45 O ATOM 1117 CB TRP A 67 13.685 -12.778 -16.428 1.00 44.23 C ATOM 1118 CG TRP A 67 14.741 -11.859 -15.891 1.00 34.13 C ATOM 1119 CD1 TRP A 67 16.093 -12.020 -15.987 1.00 4.42 C ATOM 1120 CD2 TRP A 67 14.529 -10.639 -15.172 1.00 44.23 C ATOM 1121 NE1 TRP A 67 16.736 -10.973 -15.371 1.00 50.42 N ATOM 1122 CE2 TRP A 67 15.799 -10.112 -14.864 1.00 51.44 C ATOM 1123 CE3 TRP A 67 13.392 -9.939 -14.761 1.00 32.21 C ATOM 1124 CZ2 TRP A 67 15.959 -8.919 -14.164 1.00 24.22 C ATOM 1125 CZ3 TRP A 67 13.553 -8.756 -14.065 1.00 72.04 C ATOM 1126 CH2 TRP A 67 14.828 -8.255 -13.773 1.00 64.11 C ATOM 0 H TRP A 67 13.800 -11.895 -18.735 1.00 22.14 H new ATOM 0 HA TRP A 67 15.167 -13.998 -17.396 1.00 32.13 H new ATOM 0 HB2 TRP A 67 12.824 -12.187 -16.740 1.00 44.23 H new ATOM 0 HB3 TRP A 67 13.347 -13.438 -15.629 1.00 44.23 H new ATOM 0 HD1 TRP A 67 16.585 -12.848 -16.475 1.00 4.42 H new ATOM 0 HE1 TRP A 67 17.747 -10.856 -15.302 1.00 50.42 H new ATOM 0 HE3 TRP A 67 12.405 -10.316 -14.983 1.00 32.21 H new ATOM 0 HZ2 TRP A 67 16.941 -8.531 -13.938 1.00 24.22 H new ATOM 0 HZ3 TRP A 67 12.681 -8.208 -13.741 1.00 72.04 H new ATOM 0 HH2 TRP A 67 14.920 -7.327 -13.229 1.00 64.11 H new ATOM 1137 N ARG A 68 12.164 -14.617 -18.558 1.00 4.11 N ATOM 1138 CA ARG A 68 11.199 -15.678 -18.818 1.00 63.30 C ATOM 1139 C ARG A 68 11.715 -16.630 -19.893 1.00 72.33 C ATOM 1140 O ARG A 68 11.307 -17.789 -19.956 1.00 72.51 O ATOM 1141 CB ARG A 68 9.858 -15.083 -19.250 1.00 0.52 C ATOM 1142 CG ARG A 68 9.008 -16.032 -20.078 1.00 21.20 C ATOM 1143 CD ARG A 68 9.304 -15.893 -21.563 1.00 55.12 C ATOM 1144 NE ARG A 68 8.095 -15.628 -22.339 1.00 40.51 N ATOM 1145 CZ ARG A 68 7.513 -14.435 -22.408 1.00 61.42 C ATOM 1146 NH1 ARG A 68 8.027 -13.404 -21.752 1.00 34.32 N ATOM 1147 NH2 ARG A 68 6.415 -14.273 -23.136 1.00 3.14 N ATOM 0 H ARG A 68 11.942 -13.726 -19.003 1.00 4.11 H new ATOM 0 HA ARG A 68 11.058 -16.241 -17.895 1.00 63.30 H new ATOM 0 HB2 ARG A 68 9.298 -14.788 -18.362 1.00 0.52 H new ATOM 0 HB3 ARG A 68 10.042 -14.176 -19.827 1.00 0.52 H new ATOM 0 HG2 ARG A 68 9.195 -17.059 -19.763 1.00 21.20 H new ATOM 0 HG3 ARG A 68 7.953 -15.830 -19.896 1.00 21.20 H new ATOM 0 HD2 ARG A 68 10.018 -15.084 -21.716 1.00 55.12 H new ATOM 0 HD3 ARG A 68 9.775 -16.807 -21.926 1.00 55.12 H new ATOM 0 HE ARG A 68 7.675 -16.400 -22.856 1.00 40.51 H new ATOM 0 HH11 ARG A 68 8.871 -13.525 -21.193 1.00 34.32 H new ATOM 0 HH12 ARG A 68 7.578 -12.490 -21.807 1.00 34.32 H new ATOM 0 HH21 ARG A 68 6.018 -15.064 -23.643 1.00 3.14 H new ATOM 0 HH22 ARG A 68 5.969 -13.357 -23.189 1.00 3.14 H new ATOM 1161 N GLU A 69 12.613 -16.132 -20.737 1.00 1.42 N ATOM 1162 CA GLU A 69 13.183 -16.938 -21.810 1.00 34.01 C ATOM 1163 C GLU A 69 14.192 -17.941 -21.259 1.00 61.35 C ATOM 1164 O GLU A 69 14.215 -19.104 -21.667 1.00 12.42 O ATOM 1165 CB GLU A 69 13.855 -16.040 -22.851 1.00 31.41 C ATOM 1166 CG GLU A 69 14.685 -16.805 -23.869 1.00 13.43 C ATOM 1167 CD GLU A 69 13.848 -17.739 -24.720 1.00 74.51 C ATOM 1168 OE1 GLU A 69 13.202 -18.644 -24.150 1.00 42.23 O ATOM 1169 OE2 GLU A 69 13.838 -17.566 -25.957 1.00 3.01 O ATOM 0 H GLU A 69 12.961 -15.174 -20.698 1.00 1.42 H new ATOM 0 HA GLU A 69 12.372 -17.489 -22.286 1.00 34.01 H new ATOM 0 HB2 GLU A 69 13.089 -15.469 -23.375 1.00 31.41 H new ATOM 0 HB3 GLU A 69 14.495 -15.321 -22.340 1.00 31.41 H new ATOM 0 HG2 GLU A 69 15.203 -16.097 -24.516 1.00 13.43 H new ATOM 0 HG3 GLU A 69 15.450 -17.381 -23.349 1.00 13.43 H new ATOM 1176 N LEU A 70 15.026 -17.484 -20.332 1.00 41.01 N ATOM 1177 CA LEU A 70 16.039 -18.340 -19.725 1.00 62.20 C ATOM 1178 C LEU A 70 15.413 -19.285 -18.704 1.00 2.31 C ATOM 1179 O LEU A 70 15.799 -20.449 -18.604 1.00 1.24 O ATOM 1180 CB LEU A 70 17.119 -17.489 -19.055 1.00 22.34 C ATOM 1181 CG LEU A 70 16.621 -16.385 -18.122 1.00 32.25 C ATOM 1182 CD1 LEU A 70 16.469 -16.913 -16.703 1.00 41.13 C ATOM 1183 CD2 LEU A 70 17.568 -15.194 -18.151 1.00 75.21 C ATOM 0 H LEU A 70 15.021 -16.525 -19.984 1.00 41.01 H new ATOM 0 HA LEU A 70 16.494 -18.938 -20.514 1.00 62.20 H new ATOM 0 HB2 LEU A 70 17.773 -18.150 -18.486 1.00 22.34 H new ATOM 0 HB3 LEU A 70 17.728 -17.031 -19.834 1.00 22.34 H new ATOM 0 HG LEU A 70 15.643 -16.055 -18.472 1.00 32.25 H new ATOM 0 HD11 LEU A 70 16.114 -16.113 -16.053 1.00 41.13 H new ATOM 0 HD12 LEU A 70 15.751 -17.733 -16.695 1.00 41.13 H new ATOM 0 HD13 LEU A 70 17.433 -17.272 -16.343 1.00 41.13 H new ATOM 0 HD21 LEU A 70 17.197 -14.418 -17.481 1.00 75.21 H new ATOM 0 HD22 LEU A 70 18.560 -15.510 -17.827 1.00 75.21 H new ATOM 0 HD23 LEU A 70 17.626 -14.800 -19.166 1.00 75.21 H new ATOM 1195 N GLU A 71 14.444 -18.775 -17.950 1.00 60.01 N ATOM 1196 CA GLU A 71 13.764 -19.575 -16.938 1.00 10.41 C ATOM 1197 C GLU A 71 12.937 -20.682 -17.585 1.00 22.34 C ATOM 1198 O GLU A 71 12.763 -21.757 -17.011 1.00 3.24 O ATOM 1199 CB GLU A 71 12.863 -18.688 -16.076 1.00 50.41 C ATOM 1200 CG GLU A 71 11.500 -18.424 -16.693 1.00 15.53 C ATOM 1201 CD GLU A 71 10.491 -19.507 -16.364 1.00 31.00 C ATOM 1202 OE1 GLU A 71 10.702 -20.231 -15.368 1.00 51.22 O ATOM 1203 OE2 GLU A 71 9.491 -19.632 -17.102 1.00 4.41 O ATOM 0 H GLU A 71 14.113 -17.813 -18.021 1.00 60.01 H new ATOM 0 HA GLU A 71 14.523 -20.035 -16.305 1.00 10.41 H new ATOM 0 HB2 GLU A 71 12.727 -19.160 -15.103 1.00 50.41 H new ATOM 0 HB3 GLU A 71 13.364 -17.736 -15.902 1.00 50.41 H new ATOM 0 HG2 GLU A 71 11.125 -17.464 -16.339 1.00 15.53 H new ATOM 0 HG3 GLU A 71 11.604 -18.346 -17.775 1.00 15.53 H new ATOM 1210 N MET A 72 12.430 -20.411 -18.783 1.00 32.24 N ATOM 1211 CA MET A 72 11.622 -21.385 -19.508 1.00 12.30 C ATOM 1212 C MET A 72 12.505 -22.336 -20.308 1.00 65.15 C ATOM 1213 O MET A 72 12.076 -23.425 -20.691 1.00 43.32 O ATOM 1214 CB MET A 72 10.643 -20.672 -20.442 1.00 54.34 C ATOM 1215 CG MET A 72 11.289 -20.144 -21.713 1.00 25.32 C ATOM 1216 SD MET A 72 10.091 -19.447 -22.865 1.00 15.01 S ATOM 1217 CE MET A 72 9.397 -20.938 -23.576 1.00 3.34 C ATOM 0 H MET A 72 12.564 -19.526 -19.272 1.00 32.24 H new ATOM 0 HA MET A 72 11.059 -21.968 -18.779 1.00 12.30 H new ATOM 0 HB2 MET A 72 9.843 -21.361 -20.711 1.00 54.34 H new ATOM 0 HB3 MET A 72 10.182 -19.842 -19.907 1.00 54.34 H new ATOM 0 HG2 MET A 72 12.023 -19.381 -21.453 1.00 25.32 H new ATOM 0 HG3 MET A 72 11.830 -20.953 -22.204 1.00 25.32 H new ATOM 0 HE1 MET A 72 9.489 -20.900 -24.661 1.00 3.34 H new ATOM 0 HE2 MET A 72 9.935 -21.807 -23.196 1.00 3.34 H new ATOM 0 HE3 MET A 72 8.345 -21.015 -23.303 1.00 3.34 H new ATOM 1227 N LYS A 73 13.742 -21.919 -20.559 1.00 12.51 N ATOM 1228 CA LYS A 73 14.687 -22.733 -21.313 1.00 60.21 C ATOM 1229 C LYS A 73 15.643 -23.465 -20.376 1.00 75.54 C ATOM 1230 O LYS A 73 16.518 -24.206 -20.823 1.00 4.42 O ATOM 1231 CB LYS A 73 15.481 -21.860 -22.288 1.00 14.25 C ATOM 1232 CG LYS A 73 14.720 -21.521 -23.558 1.00 3.30 C ATOM 1233 CD LYS A 73 15.643 -21.472 -24.764 1.00 4.00 C ATOM 1234 CE LYS A 73 15.576 -22.760 -25.570 1.00 55.02 C ATOM 1235 NZ LYS A 73 15.558 -22.497 -27.036 1.00 5.32 N ATOM 0 H LYS A 73 14.113 -21.020 -20.250 1.00 12.51 H new ATOM 0 HA LYS A 73 14.120 -23.473 -21.877 1.00 60.21 H new ATOM 0 HB2 LYS A 73 15.764 -20.935 -21.786 1.00 14.25 H new ATOM 0 HB3 LYS A 73 16.405 -22.374 -22.554 1.00 14.25 H new ATOM 0 HG2 LYS A 73 13.940 -22.264 -23.725 1.00 3.30 H new ATOM 0 HG3 LYS A 73 14.223 -20.558 -23.440 1.00 3.30 H new ATOM 0 HD2 LYS A 73 15.369 -20.630 -25.399 1.00 4.00 H new ATOM 0 HD3 LYS A 73 16.667 -21.302 -24.433 1.00 4.00 H new ATOM 0 HE2 LYS A 73 16.433 -23.387 -25.324 1.00 55.02 H new ATOM 0 HE3 LYS A 73 14.682 -23.317 -25.290 1.00 55.02 H new ATOM 0 HZ1 LYS A 73 15.512 -23.400 -27.550 1.00 5.32 H new ATOM 0 HZ2 LYS A 73 14.727 -21.920 -27.275 1.00 5.32 H new ATOM 0 HZ3 LYS A 73 16.423 -21.987 -27.308 1.00 5.32 H new ATOM 1249 N ALA A 74 15.467 -23.255 -19.076 1.00 54.20 N ATOM 1250 CA ALA A 74 16.311 -23.898 -18.077 1.00 0.21 C ATOM 1251 C ALA A 74 15.968 -25.377 -17.938 1.00 62.24 C ATOM 1252 O ALA A 74 16.570 -26.091 -17.136 1.00 30.01 O ATOM 1253 CB ALA A 74 16.171 -23.194 -16.735 1.00 51.24 C ATOM 0 H ALA A 74 14.747 -22.644 -18.690 1.00 54.20 H new ATOM 0 HA ALA A 74 17.346 -23.821 -18.409 1.00 0.21 H new ATOM 0 HB1 ALA A 74 16.807 -23.685 -15.998 1.00 51.24 H new ATOM 0 HB2 ALA A 74 16.473 -22.152 -16.838 1.00 51.24 H new ATOM 0 HB3 ALA A 74 15.133 -23.240 -16.406 1.00 51.24 H new ATOM 1259 N ARG A 75 14.998 -25.831 -18.725 1.00 33.22 N ATOM 1260 CA ARG A 75 14.574 -27.226 -18.688 1.00 12.41 C ATOM 1261 C ARG A 75 14.181 -27.637 -17.272 1.00 72.11 C ATOM 1262 O ARG A 75 14.742 -28.577 -16.708 1.00 40.24 O ATOM 1263 CB ARG A 75 15.692 -28.134 -19.203 1.00 35.41 C ATOM 1264 CG ARG A 75 15.917 -28.033 -20.703 1.00 13.24 C ATOM 1265 CD ARG A 75 17.049 -28.939 -21.159 1.00 23.45 C ATOM 1266 NE ARG A 75 17.175 -28.969 -22.613 1.00 73.23 N ATOM 1267 CZ ARG A 75 16.312 -29.587 -23.413 1.00 24.33 C ATOM 1268 NH1 ARG A 75 15.267 -30.223 -22.901 1.00 44.11 N ATOM 1269 NH2 ARG A 75 16.494 -29.570 -24.727 1.00 4.21 N ATOM 0 H ARG A 75 14.491 -25.254 -19.396 1.00 33.22 H new ATOM 0 HA ARG A 75 13.702 -27.333 -19.334 1.00 12.41 H new ATOM 0 HB2 ARG A 75 16.619 -27.883 -18.687 1.00 35.41 H new ATOM 0 HB3 ARG A 75 15.456 -29.167 -18.948 1.00 35.41 H new ATOM 0 HG2 ARG A 75 15.000 -28.302 -21.228 1.00 13.24 H new ATOM 0 HG3 ARG A 75 16.146 -27.001 -20.969 1.00 13.24 H new ATOM 0 HD2 ARG A 75 17.986 -28.596 -20.721 1.00 23.45 H new ATOM 0 HD3 ARG A 75 16.876 -29.950 -20.789 1.00 23.45 H new ATOM 0 HE ARG A 75 17.969 -28.490 -23.038 1.00 73.23 H new ATOM 0 HH11 ARG A 75 15.124 -30.239 -21.891 1.00 44.11 H new ATOM 0 HH12 ARG A 75 14.606 -30.696 -23.517 1.00 44.11 H new ATOM 0 HH21 ARG A 75 17.297 -29.082 -25.124 1.00 4.21 H new ATOM 0 HH22 ARG A 75 15.831 -30.045 -25.340 1.00 4.21 H new ATOM 1283 N LYS A 76 13.213 -26.927 -16.702 1.00 41.13 N ATOM 1284 CA LYS A 76 12.743 -27.217 -15.353 1.00 24.31 C ATOM 1285 C LYS A 76 11.357 -26.625 -15.120 1.00 60.11 C ATOM 1286 O LYS A 76 10.959 -25.671 -15.789 1.00 2.14 O ATOM 1287 CB LYS A 76 13.726 -26.664 -14.318 1.00 61.04 C ATOM 1288 CG LYS A 76 13.605 -27.318 -12.953 1.00 74.41 C ATOM 1289 CD LYS A 76 13.937 -28.800 -13.013 1.00 41.22 C ATOM 1290 CE LYS A 76 14.001 -29.414 -11.623 1.00 2.50 C ATOM 1291 NZ LYS A 76 12.672 -29.407 -10.952 1.00 12.52 N ATOM 0 H LYS A 76 12.738 -26.146 -17.154 1.00 41.13 H new ATOM 0 HA LYS A 76 12.679 -28.300 -15.243 1.00 24.31 H new ATOM 0 HB2 LYS A 76 14.743 -26.799 -14.687 1.00 61.04 H new ATOM 0 HB3 LYS A 76 13.564 -25.591 -14.213 1.00 61.04 H new ATOM 0 HG2 LYS A 76 14.275 -26.822 -12.250 1.00 74.41 H new ATOM 0 HG3 LYS A 76 12.592 -27.186 -12.574 1.00 74.41 H new ATOM 0 HD2 LYS A 76 13.184 -29.319 -13.607 1.00 41.22 H new ATOM 0 HD3 LYS A 76 14.893 -28.940 -13.518 1.00 41.22 H new ATOM 0 HE2 LYS A 76 14.366 -30.439 -11.695 1.00 2.50 H new ATOM 0 HE3 LYS A 76 14.718 -28.862 -11.015 1.00 2.50 H new ATOM 0 HZ1 LYS A 76 12.747 -29.879 -10.028 1.00 12.52 H new ATOM 0 HZ2 LYS A 76 12.358 -28.425 -10.814 1.00 12.52 H new ATOM 0 HZ3 LYS A 76 11.982 -29.912 -11.544 1.00 12.52 H new ATOM 1305 N ARG A 77 10.627 -27.196 -14.168 1.00 31.22 N ATOM 1306 CA ARG A 77 9.285 -26.724 -13.847 1.00 63.12 C ATOM 1307 C ARG A 77 9.296 -25.874 -12.580 1.00 45.54 C ATOM 1308 O ARG A 77 9.283 -26.399 -11.466 1.00 60.25 O ATOM 1309 CB ARG A 77 8.333 -27.909 -13.670 1.00 45.35 C ATOM 1310 CG ARG A 77 8.861 -28.979 -12.729 1.00 64.03 C ATOM 1311 CD ARG A 77 7.799 -29.420 -11.735 1.00 54.00 C ATOM 1312 NE ARG A 77 8.377 -30.113 -10.587 1.00 1.21 N ATOM 1313 CZ ARG A 77 7.663 -30.545 -9.553 1.00 43.22 C ATOM 1314 NH1 ARG A 77 6.351 -30.357 -9.524 1.00 42.34 N ATOM 1315 NH2 ARG A 77 8.262 -31.167 -8.546 1.00 20.03 N ATOM 0 H ARG A 77 10.942 -27.986 -13.605 1.00 31.22 H new ATOM 0 HA ARG A 77 8.937 -26.107 -14.675 1.00 63.12 H new ATOM 0 HB2 ARG A 77 7.378 -27.544 -13.292 1.00 45.35 H new ATOM 0 HB3 ARG A 77 8.140 -28.357 -14.644 1.00 45.35 H new ATOM 0 HG2 ARG A 77 9.199 -29.839 -13.307 1.00 64.03 H new ATOM 0 HG3 ARG A 77 9.728 -28.596 -12.191 1.00 64.03 H new ATOM 0 HD2 ARG A 77 7.242 -28.549 -11.390 1.00 54.00 H new ATOM 0 HD3 ARG A 77 7.086 -30.077 -12.234 1.00 54.00 H new ATOM 0 HE ARG A 77 9.384 -30.274 -10.578 1.00 1.21 H new ATOM 0 HH11 ARG A 77 5.887 -29.880 -10.297 1.00 42.34 H new ATOM 0 HH12 ARG A 77 5.806 -30.690 -8.729 1.00 42.34 H new ATOM 0 HH21 ARG A 77 9.271 -31.314 -8.565 1.00 20.03 H new ATOM 0 HH22 ARG A 77 7.713 -31.498 -7.753 1.00 20.03 H new ATOM 1329 N LEU A 78 9.322 -24.557 -12.758 1.00 72.32 N ATOM 1330 CA LEU A 78 9.335 -23.633 -11.630 1.00 3.13 C ATOM 1331 C LEU A 78 7.939 -23.081 -11.361 1.00 32.53 C ATOM 1332 O LEU A 78 7.388 -22.309 -12.145 1.00 41.23 O ATOM 1333 CB LEU A 78 10.307 -22.483 -11.899 1.00 1.31 C ATOM 1334 CG LEU A 78 11.789 -22.856 -11.957 1.00 11.45 C ATOM 1335 CD1 LEU A 78 12.096 -23.628 -13.230 1.00 51.33 C ATOM 1336 CD2 LEU A 78 12.657 -21.609 -11.864 1.00 54.12 C ATOM 0 H LEU A 78 9.334 -24.106 -13.673 1.00 72.32 H new ATOM 0 HA LEU A 78 9.665 -24.181 -10.747 1.00 3.13 H new ATOM 0 HB2 LEU A 78 10.033 -22.016 -12.845 1.00 1.31 H new ATOM 0 HB3 LEU A 78 10.172 -21.731 -11.122 1.00 1.31 H new ATOM 0 HG LEU A 78 12.016 -23.497 -11.105 1.00 11.45 H new ATOM 0 HD11 LEU A 78 13.155 -23.885 -13.253 1.00 51.33 H new ATOM 0 HD12 LEU A 78 11.501 -24.541 -13.254 1.00 51.33 H new ATOM 0 HD13 LEU A 78 11.852 -23.013 -14.096 1.00 51.33 H new ATOM 0 HD21 LEU A 78 13.708 -21.893 -11.907 1.00 54.12 H new ATOM 0 HD22 LEU A 78 12.427 -20.943 -12.696 1.00 54.12 H new ATOM 0 HD23 LEU A 78 12.458 -21.096 -10.923 1.00 54.12 H new ATOM 1348 N PRO A 79 7.352 -23.485 -10.224 1.00 52.12 N ATOM 1349 CA PRO A 79 6.013 -23.041 -9.824 1.00 22.12 C ATOM 1350 C PRO A 79 5.984 -21.568 -9.431 1.00 42.02 C ATOM 1351 O PRO A 79 4.952 -20.906 -9.539 1.00 54.41 O ATOM 1352 CB PRO A 79 5.694 -23.923 -8.614 1.00 61.33 C ATOM 1353 CG PRO A 79 7.024 -24.304 -8.061 1.00 41.24 C ATOM 1354 CD PRO A 79 7.950 -24.405 -9.242 1.00 52.21 C ATOM 0 HA PRO A 79 5.293 -23.132 -10.638 1.00 22.12 H new ATOM 0 HB2 PRO A 79 5.099 -23.384 -7.877 1.00 61.33 H new ATOM 0 HB3 PRO A 79 5.120 -24.802 -8.906 1.00 61.33 H new ATOM 0 HG2 PRO A 79 7.379 -23.558 -7.349 1.00 41.24 H new ATOM 0 HG3 PRO A 79 6.967 -25.253 -7.527 1.00 41.24 H new ATOM 0 HD2 PRO A 79 8.967 -24.110 -8.982 1.00 52.21 H new ATOM 0 HD3 PRO A 79 8.002 -25.424 -9.626 1.00 52.21 H new ATOM 1362 N THR A 80 7.125 -21.059 -8.975 1.00 34.11 N ATOM 1363 CA THR A 80 7.229 -19.664 -8.566 1.00 25.35 C ATOM 1364 C THR A 80 7.472 -18.756 -9.765 1.00 41.14 C ATOM 1365 O THR A 80 7.960 -19.200 -10.806 1.00 13.25 O ATOM 1366 CB THR A 80 8.365 -19.462 -7.545 1.00 65.30 C ATOM 1367 OG1 THR A 80 8.576 -18.064 -7.317 1.00 23.50 O ATOM 1368 CG2 THR A 80 9.655 -20.101 -8.037 1.00 62.25 C ATOM 0 H THR A 80 7.989 -21.592 -8.880 1.00 34.11 H new ATOM 0 HA THR A 80 6.280 -19.399 -8.100 1.00 25.35 H new ATOM 0 HB THR A 80 8.074 -19.942 -6.611 1.00 65.30 H new ATOM 0 HG1 THR A 80 9.434 -17.795 -7.706 1.00 23.50 H new ATOM 0 HG21 THR A 80 10.442 -19.945 -7.300 1.00 62.25 H new ATOM 0 HG22 THR A 80 9.499 -21.170 -8.182 1.00 62.25 H new ATOM 0 HG23 THR A 80 9.949 -19.646 -8.983 1.00 62.25 H new ATOM 1376 N THR A 81 7.130 -17.480 -9.615 1.00 35.11 N ATOM 1377 CA THR A 81 7.310 -16.509 -10.686 1.00 53.24 C ATOM 1378 C THR A 81 8.317 -15.435 -10.292 1.00 24.34 C ATOM 1379 O THR A 81 8.991 -14.857 -11.146 1.00 31.33 O ATOM 1380 CB THR A 81 5.977 -15.833 -11.062 1.00 25.00 C ATOM 1381 OG1 THR A 81 5.006 -16.826 -11.410 1.00 13.51 O ATOM 1382 CG2 THR A 81 6.167 -14.872 -12.226 1.00 24.12 C ATOM 0 H THR A 81 6.726 -17.095 -8.761 1.00 35.11 H new ATOM 0 HA THR A 81 7.687 -17.058 -11.549 1.00 53.24 H new ATOM 0 HB THR A 81 5.625 -15.268 -10.199 1.00 25.00 H new ATOM 0 HG1 THR A 81 4.161 -16.389 -11.646 1.00 13.51 H new ATOM 0 HG21 THR A 81 5.213 -14.407 -12.473 1.00 24.12 H new ATOM 0 HG22 THR A 81 6.885 -14.101 -11.948 1.00 24.12 H new ATOM 0 HG23 THR A 81 6.539 -15.419 -13.092 1.00 24.12 H new ATOM 1390 N LEU A 82 8.417 -15.173 -8.993 1.00 61.01 N ATOM 1391 CA LEU A 82 9.344 -14.168 -8.484 1.00 64.35 C ATOM 1392 C LEU A 82 10.650 -14.813 -8.031 1.00 4.32 C ATOM 1393 O LEU A 82 10.917 -14.924 -6.834 1.00 30.00 O ATOM 1394 CB LEU A 82 8.710 -13.402 -7.323 1.00 10.05 C ATOM 1395 CG LEU A 82 7.971 -12.115 -7.691 1.00 71.22 C ATOM 1396 CD1 LEU A 82 7.406 -11.449 -6.446 1.00 51.24 C ATOM 1397 CD2 LEU A 82 8.896 -11.163 -8.435 1.00 21.02 C ATOM 0 H LEU A 82 7.868 -15.643 -8.273 1.00 61.01 H new ATOM 0 HA LEU A 82 9.566 -13.471 -9.292 1.00 64.35 H new ATOM 0 HB2 LEU A 82 8.011 -14.066 -6.815 1.00 10.05 H new ATOM 0 HB3 LEU A 82 9.493 -13.155 -6.606 1.00 10.05 H new ATOM 0 HG LEU A 82 7.141 -12.371 -8.349 1.00 71.22 H new ATOM 0 HD11 LEU A 82 6.884 -10.535 -6.728 1.00 51.24 H new ATOM 0 HD12 LEU A 82 6.709 -12.128 -5.954 1.00 51.24 H new ATOM 0 HD13 LEU A 82 8.219 -11.206 -5.762 1.00 51.24 H new ATOM 0 HD21 LEU A 82 8.353 -10.253 -8.689 1.00 21.02 H new ATOM 0 HD22 LEU A 82 9.747 -10.913 -7.801 1.00 21.02 H new ATOM 0 HD23 LEU A 82 9.251 -11.640 -9.348 1.00 21.02 H new ATOM 1409 N PHE A 83 11.462 -15.234 -8.995 1.00 4.03 N ATOM 1410 CA PHE A 83 12.742 -15.866 -8.695 1.00 32.24 C ATOM 1411 C PHE A 83 13.872 -15.207 -9.480 1.00 12.45 C ATOM 1412 O PHE A 83 13.636 -14.536 -10.485 1.00 14.14 O ATOM 1413 CB PHE A 83 12.685 -17.360 -9.019 1.00 32.50 C ATOM 1414 CG PHE A 83 12.277 -17.651 -10.435 1.00 32.41 C ATOM 1415 CD1 PHE A 83 13.110 -17.322 -11.492 1.00 22.14 C ATOM 1416 CD2 PHE A 83 11.059 -18.254 -10.709 1.00 44.41 C ATOM 1417 CE1 PHE A 83 12.738 -17.589 -12.796 1.00 11.22 C ATOM 1418 CE2 PHE A 83 10.682 -18.523 -12.011 1.00 70.01 C ATOM 1419 CZ PHE A 83 11.522 -18.189 -13.056 1.00 34.13 C ATOM 0 H PHE A 83 11.257 -15.149 -9.991 1.00 4.03 H new ATOM 0 HA PHE A 83 12.941 -15.739 -7.631 1.00 32.24 H new ATOM 0 HB2 PHE A 83 13.664 -17.802 -8.833 1.00 32.50 H new ATOM 0 HB3 PHE A 83 11.983 -17.844 -8.340 1.00 32.50 H new ATOM 0 HD1 PHE A 83 14.062 -16.851 -11.295 1.00 22.14 H new ATOM 0 HD2 PHE A 83 10.398 -18.516 -9.896 1.00 44.41 H new ATOM 0 HE1 PHE A 83 13.398 -17.329 -13.611 1.00 11.22 H new ATOM 0 HE2 PHE A 83 9.731 -18.994 -12.212 1.00 70.01 H new ATOM 0 HZ PHE A 83 11.228 -18.397 -14.074 1.00 34.13 H new ATOM 1429 N PHE A 84 15.101 -15.402 -9.013 1.00 13.32 N ATOM 1430 CA PHE A 84 16.268 -14.825 -9.669 1.00 63.12 C ATOM 1431 C PHE A 84 17.372 -15.866 -9.828 1.00 64.22 C ATOM 1432 O PHE A 84 17.253 -16.992 -9.343 1.00 3.43 O ATOM 1433 CB PHE A 84 16.790 -13.629 -8.870 1.00 25.41 C ATOM 1434 CG PHE A 84 16.788 -12.343 -9.645 1.00 53.11 C ATOM 1435 CD1 PHE A 84 15.615 -11.626 -9.819 1.00 71.00 C ATOM 1436 CD2 PHE A 84 17.958 -11.851 -10.200 1.00 50.22 C ATOM 1437 CE1 PHE A 84 15.609 -10.442 -10.531 1.00 50.55 C ATOM 1438 CE2 PHE A 84 17.958 -10.667 -10.913 1.00 42.22 C ATOM 1439 CZ PHE A 84 16.782 -9.962 -11.080 1.00 41.01 C ATOM 0 H PHE A 84 15.314 -15.955 -8.183 1.00 13.32 H new ATOM 0 HA PHE A 84 15.966 -14.486 -10.660 1.00 63.12 H new ATOM 0 HB2 PHE A 84 16.179 -13.506 -7.975 1.00 25.41 H new ATOM 0 HB3 PHE A 84 17.806 -13.841 -8.536 1.00 25.41 H new ATOM 0 HD1 PHE A 84 14.695 -11.997 -9.393 1.00 71.00 H new ATOM 0 HD2 PHE A 84 18.880 -12.399 -10.074 1.00 50.22 H new ATOM 0 HE1 PHE A 84 14.688 -9.892 -10.658 1.00 50.55 H new ATOM 0 HE2 PHE A 84 18.877 -10.293 -11.339 1.00 42.22 H new ATOM 0 HZ PHE A 84 16.780 -9.038 -11.639 1.00 41.01 H new ATOM 1449 N ILE A 85 18.445 -15.482 -10.512 1.00 23.35 N ATOM 1450 CA ILE A 85 19.571 -16.382 -10.734 1.00 54.43 C ATOM 1451 C ILE A 85 20.806 -15.915 -9.973 1.00 4.23 C ATOM 1452 O ILE A 85 20.912 -14.747 -9.599 1.00 65.20 O ATOM 1453 CB ILE A 85 19.915 -16.492 -12.231 1.00 42.13 C ATOM 1454 CG1 ILE A 85 20.418 -15.148 -12.762 1.00 0.33 C ATOM 1455 CG2 ILE A 85 18.702 -16.959 -13.021 1.00 53.32 C ATOM 1456 CD1 ILE A 85 20.745 -15.165 -14.238 1.00 42.04 C ATOM 0 H ILE A 85 18.558 -14.555 -10.922 1.00 23.35 H new ATOM 0 HA ILE A 85 19.270 -17.362 -10.365 1.00 54.43 H new ATOM 0 HB ILE A 85 20.709 -17.229 -12.352 1.00 42.13 H new ATOM 0 HG12 ILE A 85 19.661 -14.386 -12.575 1.00 0.33 H new ATOM 0 HG13 ILE A 85 21.308 -14.857 -12.204 1.00 0.33 H new ATOM 0 HG21 ILE A 85 18.962 -17.032 -14.077 1.00 53.32 H new ATOM 0 HG22 ILE A 85 18.385 -17.936 -12.657 1.00 53.32 H new ATOM 0 HG23 ILE A 85 17.889 -16.244 -12.896 1.00 53.32 H new ATOM 0 HD11 ILE A 85 21.095 -14.179 -14.544 1.00 42.04 H new ATOM 0 HD12 ILE A 85 21.524 -15.903 -14.430 1.00 42.04 H new ATOM 0 HD13 ILE A 85 19.852 -15.425 -14.806 1.00 42.04 H new ATOM 1468 N GLU A 86 21.739 -16.835 -9.748 1.00 21.11 N ATOM 1469 CA GLU A 86 22.969 -16.517 -9.031 1.00 54.45 C ATOM 1470 C GLU A 86 23.924 -15.722 -9.917 1.00 51.30 C ATOM 1471 O GLU A 86 24.765 -14.969 -9.425 1.00 21.14 O ATOM 1472 CB GLU A 86 23.650 -17.798 -8.549 1.00 25.52 C ATOM 1473 CG GLU A 86 24.857 -17.548 -7.659 1.00 74.42 C ATOM 1474 CD GLU A 86 24.713 -18.184 -6.290 1.00 5.01 C ATOM 1475 OE1 GLU A 86 23.781 -17.800 -5.553 1.00 72.31 O ATOM 1476 OE2 GLU A 86 25.533 -19.064 -5.955 1.00 64.21 O ATOM 0 H GLU A 86 21.667 -17.806 -10.052 1.00 21.11 H new ATOM 0 HA GLU A 86 22.709 -15.906 -8.167 1.00 54.45 H new ATOM 0 HB2 GLU A 86 22.925 -18.401 -8.003 1.00 25.52 H new ATOM 0 HB3 GLU A 86 23.962 -18.381 -9.415 1.00 25.52 H new ATOM 0 HG2 GLU A 86 25.750 -17.940 -8.146 1.00 74.42 H new ATOM 0 HG3 GLU A 86 25.002 -16.474 -7.543 1.00 74.42 H new ATOM 1483 N THR A 87 23.789 -15.895 -11.228 1.00 55.32 N ATOM 1484 CA THR A 87 24.639 -15.196 -12.183 1.00 64.22 C ATOM 1485 C THR A 87 24.305 -13.710 -12.233 1.00 3.33 C ATOM 1486 O THR A 87 25.011 -12.926 -12.867 1.00 44.22 O ATOM 1487 CB THR A 87 24.501 -15.789 -13.598 1.00 73.30 C ATOM 1488 OG1 THR A 87 23.293 -16.553 -13.693 1.00 11.41 O ATOM 1489 CG2 THR A 87 25.693 -16.673 -13.934 1.00 13.23 C ATOM 0 H THR A 87 23.098 -16.514 -11.653 1.00 55.32 H new ATOM 0 HA THR A 87 25.666 -15.323 -11.842 1.00 64.22 H new ATOM 0 HB THR A 87 24.467 -14.965 -14.311 1.00 73.30 H new ATOM 0 HG1 THR A 87 23.451 -17.459 -13.354 1.00 11.41 H new ATOM 0 HG21 THR A 87 25.573 -17.080 -14.938 1.00 13.23 H new ATOM 0 HG22 THR A 87 26.608 -16.082 -13.889 1.00 13.23 H new ATOM 0 HG23 THR A 87 25.753 -17.491 -13.216 1.00 13.23 H new ATOM 1497 N ASP A 88 23.226 -13.328 -11.559 1.00 73.22 N ATOM 1498 CA ASP A 88 22.799 -11.934 -11.525 1.00 31.11 C ATOM 1499 C ASP A 88 22.976 -11.346 -10.129 1.00 11.24 C ATOM 1500 O ASP A 88 22.660 -10.179 -9.891 1.00 62.45 O ATOM 1501 CB ASP A 88 21.338 -11.815 -11.961 1.00 34.14 C ATOM 1502 CG ASP A 88 21.197 -11.324 -13.388 1.00 63.42 C ATOM 1503 OD1 ASP A 88 22.101 -11.605 -14.204 1.00 34.01 O ATOM 1504 OD2 ASP A 88 20.184 -10.661 -13.690 1.00 13.30 O ATOM 0 H ASP A 88 22.631 -13.964 -11.029 1.00 73.22 H new ATOM 0 HA ASP A 88 23.424 -11.371 -12.219 1.00 31.11 H new ATOM 0 HB2 ASP A 88 20.853 -12.786 -11.865 1.00 34.14 H new ATOM 0 HB3 ASP A 88 20.817 -11.131 -11.291 1.00 34.14 H new ATOM 1509 N ILE A 89 23.481 -12.160 -9.209 1.00 21.54 N ATOM 1510 CA ILE A 89 23.700 -11.720 -7.836 1.00 74.33 C ATOM 1511 C ILE A 89 25.156 -11.908 -7.424 1.00 52.32 C ATOM 1512 O ILE A 89 25.741 -11.047 -6.767 1.00 20.14 O ATOM 1513 CB ILE A 89 22.796 -12.484 -6.850 1.00 4.43 C ATOM 1514 CG1 ILE A 89 21.354 -12.510 -7.360 1.00 43.03 C ATOM 1515 CG2 ILE A 89 22.864 -11.848 -5.469 1.00 53.53 C ATOM 1516 CD1 ILE A 89 20.702 -11.146 -7.400 1.00 44.43 C ATOM 0 H ILE A 89 23.747 -13.128 -9.389 1.00 21.54 H new ATOM 0 HA ILE A 89 23.449 -10.660 -7.800 1.00 74.33 H new ATOM 0 HB ILE A 89 23.152 -13.511 -6.774 1.00 4.43 H new ATOM 0 HG12 ILE A 89 21.339 -12.940 -8.361 1.00 43.03 H new ATOM 0 HG13 ILE A 89 20.763 -13.167 -6.722 1.00 43.03 H new ATOM 0 HG21 ILE A 89 22.220 -12.398 -4.783 1.00 53.53 H new ATOM 0 HG22 ILE A 89 23.891 -11.877 -5.105 1.00 53.53 H new ATOM 0 HG23 ILE A 89 22.529 -10.812 -5.529 1.00 53.53 H new ATOM 0 HD11 ILE A 89 19.682 -11.241 -7.772 1.00 44.43 H new ATOM 0 HD12 ILE A 89 20.685 -10.721 -6.396 1.00 44.43 H new ATOM 0 HD13 ILE A 89 21.269 -10.491 -8.061 1.00 44.43 H new ATOM 1528 N ARG A 90 25.736 -13.037 -7.817 1.00 35.31 N ATOM 1529 CA ARG A 90 27.124 -13.338 -7.489 1.00 10.40 C ATOM 1530 C ARG A 90 28.051 -12.231 -7.983 1.00 51.13 C ATOM 1531 O ARG A 90 28.785 -11.611 -7.213 1.00 35.53 O ATOM 1532 CB ARG A 90 27.537 -14.676 -8.103 1.00 64.24 C ATOM 1533 CG ARG A 90 29.007 -14.743 -8.485 1.00 22.33 C ATOM 1534 CD ARG A 90 29.490 -16.181 -8.592 1.00 74.44 C ATOM 1535 NE ARG A 90 30.891 -16.260 -8.998 1.00 14.25 N ATOM 1536 CZ ARG A 90 31.317 -15.986 -10.226 1.00 31.54 C ATOM 1537 NH1 ARG A 90 30.455 -15.618 -11.163 1.00 61.45 N ATOM 1538 NH2 ARG A 90 32.608 -16.081 -10.517 1.00 51.43 N ATOM 0 H ARG A 90 25.266 -13.759 -8.363 1.00 35.31 H new ATOM 0 HA ARG A 90 27.209 -13.403 -6.404 1.00 10.40 H new ATOM 0 HB2 ARG A 90 27.318 -15.475 -7.394 1.00 64.24 H new ATOM 0 HB3 ARG A 90 26.931 -14.862 -8.990 1.00 64.24 H new ATOM 0 HG2 ARG A 90 29.160 -14.235 -9.437 1.00 22.33 H new ATOM 0 HG3 ARG A 90 29.602 -14.213 -7.741 1.00 22.33 H new ATOM 0 HD2 ARG A 90 29.363 -16.678 -7.630 1.00 74.44 H new ATOM 0 HD3 ARG A 90 28.873 -16.718 -9.313 1.00 74.44 H new ATOM 0 HE ARG A 90 31.580 -16.541 -8.300 1.00 14.25 H new ATOM 0 HH11 ARG A 90 29.462 -15.545 -10.942 1.00 61.45 H new ATOM 0 HH12 ARG A 90 30.785 -15.408 -12.105 1.00 61.45 H new ATOM 0 HH21 ARG A 90 33.273 -16.364 -9.798 1.00 51.43 H new ATOM 0 HH22 ARG A 90 32.935 -15.871 -11.460 1.00 51.43 H new ATOM 1552 N PRO A 91 28.019 -11.976 -9.300 1.00 11.23 N ATOM 1553 CA PRO A 91 28.850 -10.944 -9.927 1.00 12.55 C ATOM 1554 C PRO A 91 28.411 -9.534 -9.543 1.00 72.43 C ATOM 1555 O PRO A 91 28.847 -8.553 -10.145 1.00 74.41 O ATOM 1556 CB PRO A 91 28.640 -11.180 -11.424 1.00 70.32 C ATOM 1557 CG PRO A 91 27.308 -11.840 -11.520 1.00 72.24 C ATOM 1558 CD PRO A 91 27.169 -12.675 -10.278 1.00 34.24 C ATOM 0 HA PRO A 91 29.891 -11.013 -9.613 1.00 12.55 H new ATOM 0 HB2 PRO A 91 28.658 -10.242 -11.979 1.00 70.32 H new ATOM 0 HB3 PRO A 91 29.426 -11.811 -11.839 1.00 70.32 H new ATOM 0 HG2 PRO A 91 26.510 -11.100 -11.584 1.00 72.24 H new ATOM 0 HG3 PRO A 91 27.243 -12.458 -12.415 1.00 72.24 H new ATOM 0 HD2 PRO A 91 26.133 -12.729 -9.944 1.00 34.24 H new ATOM 0 HD3 PRO A 91 27.504 -13.699 -10.443 1.00 34.24 H new ATOM 1566 N MET A 92 27.546 -9.442 -8.538 1.00 41.33 N ATOM 1567 CA MET A 92 27.050 -8.151 -8.074 1.00 71.33 C ATOM 1568 C MET A 92 27.521 -7.867 -6.652 1.00 20.45 C ATOM 1569 O MET A 92 27.596 -6.712 -6.231 1.00 22.25 O ATOM 1570 CB MET A 92 25.522 -8.117 -8.134 1.00 55.03 C ATOM 1571 CG MET A 92 24.977 -7.624 -9.465 1.00 15.11 C ATOM 1572 SD MET A 92 23.712 -6.353 -9.270 1.00 25.04 S ATOM 1573 CE MET A 92 24.592 -4.908 -9.857 1.00 41.41 C ATOM 0 H MET A 92 27.174 -10.245 -8.030 1.00 41.33 H new ATOM 0 HA MET A 92 27.450 -7.379 -8.731 1.00 71.33 H new ATOM 0 HB2 MET A 92 25.137 -9.118 -7.941 1.00 55.03 H new ATOM 0 HB3 MET A 92 25.149 -7.473 -7.337 1.00 55.03 H new ATOM 0 HG2 MET A 92 25.796 -7.227 -10.064 1.00 15.11 H new ATOM 0 HG3 MET A 92 24.558 -8.466 -10.016 1.00 15.11 H new ATOM 0 HE1 MET A 92 23.940 -4.036 -9.799 1.00 41.41 H new ATOM 0 HE2 MET A 92 25.474 -4.743 -9.239 1.00 41.41 H new ATOM 0 HE3 MET A 92 24.898 -5.064 -10.892 1.00 41.41 H new ATOM 1583 N LEU A 93 27.837 -8.927 -5.915 1.00 72.02 N ATOM 1584 CA LEU A 93 28.301 -8.792 -4.539 1.00 13.52 C ATOM 1585 C LEU A 93 29.709 -8.208 -4.494 1.00 1.32 C ATOM 1586 O LEU A 93 29.924 -7.053 -4.862 1.00 21.23 O ATOM 1587 CB LEU A 93 28.277 -10.150 -3.836 1.00 14.24 C ATOM 1588 CG LEU A 93 26.907 -10.818 -3.713 1.00 13.21 C ATOM 1589 CD1 LEU A 93 27.061 -12.309 -3.459 1.00 30.35 C ATOM 1590 CD2 LEU A 93 26.093 -10.167 -2.603 1.00 65.14 C ATOM 0 H LEU A 93 27.780 -9.889 -6.248 1.00 72.02 H new ATOM 0 HA LEU A 93 27.628 -8.110 -4.020 1.00 13.52 H new ATOM 0 HB2 LEU A 93 28.942 -10.826 -4.373 1.00 14.24 H new ATOM 0 HB3 LEU A 93 28.690 -10.026 -2.835 1.00 14.24 H new ATOM 0 HG LEU A 93 26.373 -10.684 -4.654 1.00 13.21 H new ATOM 0 HD11 LEU A 93 26.076 -12.767 -3.374 1.00 30.35 H new ATOM 0 HD12 LEU A 93 27.603 -12.765 -4.287 1.00 30.35 H new ATOM 0 HD13 LEU A 93 27.615 -12.465 -2.533 1.00 30.35 H new ATOM 0 HD21 LEU A 93 25.121 -10.655 -2.530 1.00 65.14 H new ATOM 0 HD22 LEU A 93 26.622 -10.269 -1.656 1.00 65.14 H new ATOM 0 HD23 LEU A 93 25.952 -9.110 -2.827 1.00 65.14 H new ATOM 1602 N GLN A 94 30.664 -9.014 -4.043 1.00 23.24 N ATOM 1603 CA GLN A 94 32.052 -8.577 -3.951 1.00 64.35 C ATOM 1604 C GLN A 94 32.983 -9.574 -4.635 1.00 52.33 C ATOM 1605 O GLN A 94 32.838 -10.785 -4.473 1.00 32.50 O ATOM 1606 CB GLN A 94 32.459 -8.403 -2.487 1.00 64.42 C ATOM 1607 CG GLN A 94 32.701 -6.956 -2.091 1.00 14.14 C ATOM 1608 CD GLN A 94 33.934 -6.785 -1.226 1.00 64.43 C ATOM 1609 OE1 GLN A 94 34.926 -6.190 -1.650 1.00 34.03 O ATOM 1610 NE2 GLN A 94 33.880 -7.308 -0.007 1.00 23.40 N ATOM 0 H GLN A 94 30.502 -9.973 -3.736 1.00 23.24 H new ATOM 0 HA GLN A 94 32.139 -7.617 -4.461 1.00 64.35 H new ATOM 0 HB2 GLN A 94 31.679 -8.820 -1.850 1.00 64.42 H new ATOM 0 HB3 GLN A 94 33.365 -8.979 -2.300 1.00 64.42 H new ATOM 0 HG2 GLN A 94 32.807 -6.350 -2.991 1.00 14.14 H new ATOM 0 HG3 GLN A 94 31.830 -6.580 -1.554 1.00 14.14 H new ATOM 0 HE21 GLN A 94 33.038 -7.793 0.303 1.00 23.40 H new ATOM 0 HE22 GLN A 94 34.681 -7.225 0.619 1.00 23.40 H new ATOM 1619 N ASP A 95 33.937 -9.055 -5.400 1.00 63.41 N ATOM 1620 CA ASP A 95 34.892 -9.900 -6.108 1.00 43.34 C ATOM 1621 C ASP A 95 35.779 -10.659 -5.126 1.00 71.35 C ATOM 1622 O ASP A 95 36.351 -11.696 -5.465 1.00 51.40 O ATOM 1623 CB ASP A 95 35.756 -9.054 -7.046 1.00 30.24 C ATOM 1624 CG ASP A 95 36.440 -9.887 -8.112 1.00 30.23 C ATOM 1625 OD1 ASP A 95 35.746 -10.681 -8.780 1.00 75.00 O ATOM 1626 OD2 ASP A 95 37.670 -9.746 -8.277 1.00 71.02 O ATOM 0 H ASP A 95 34.070 -8.054 -5.546 1.00 63.41 H new ATOM 0 HA ASP A 95 34.331 -10.625 -6.698 1.00 43.34 H new ATOM 0 HB2 ASP A 95 35.134 -8.297 -7.524 1.00 30.24 H new ATOM 0 HB3 ASP A 95 36.510 -8.525 -6.463 1.00 30.24 H new ATOM 1631 N ARG A 96 35.889 -10.136 -3.910 1.00 32.23 N ATOM 1632 CA ARG A 96 36.708 -10.764 -2.879 1.00 55.34 C ATOM 1633 C ARG A 96 35.841 -11.548 -1.899 1.00 74.51 C ATOM 1634 O ARG A 96 36.351 -12.205 -0.990 1.00 51.13 O ATOM 1635 CB ARG A 96 37.517 -9.706 -2.127 1.00 63.11 C ATOM 1636 CG ARG A 96 36.691 -8.513 -1.676 1.00 53.25 C ATOM 1637 CD ARG A 96 37.470 -7.625 -0.719 1.00 41.11 C ATOM 1638 NE ARG A 96 37.789 -8.313 0.529 1.00 63.22 N ATOM 1639 CZ ARG A 96 38.481 -7.759 1.518 1.00 42.42 C ATOM 1640 NH1 ARG A 96 38.924 -6.514 1.405 1.00 14.21 N ATOM 1641 NH2 ARG A 96 38.731 -8.449 2.623 1.00 64.32 N ATOM 0 H ARG A 96 35.422 -9.279 -3.614 1.00 32.23 H new ATOM 0 HA ARG A 96 37.393 -11.458 -3.366 1.00 55.34 H new ATOM 0 HB2 ARG A 96 37.980 -10.167 -1.254 1.00 63.11 H new ATOM 0 HB3 ARG A 96 38.325 -9.355 -2.769 1.00 63.11 H new ATOM 0 HG2 ARG A 96 36.385 -7.932 -2.546 1.00 53.25 H new ATOM 0 HG3 ARG A 96 35.780 -8.863 -1.190 1.00 53.25 H new ATOM 0 HD2 ARG A 96 38.392 -7.297 -1.198 1.00 41.11 H new ATOM 0 HD3 ARG A 96 36.888 -6.729 -0.501 1.00 41.11 H new ATOM 0 HE ARG A 96 37.462 -9.272 0.648 1.00 63.22 H new ATOM 0 HH11 ARG A 96 38.733 -5.980 0.557 1.00 14.21 H new ATOM 0 HH12 ARG A 96 39.455 -6.091 2.166 1.00 14.21 H new ATOM 0 HH21 ARG A 96 38.392 -9.407 2.714 1.00 64.32 H new ATOM 0 HH22 ARG A 96 39.263 -8.022 3.382 1.00 64.32 H new ATOM 1655 N LEU A 97 34.528 -11.476 -2.089 1.00 51.22 N ATOM 1656 CA LEU A 97 33.589 -12.179 -1.222 1.00 2.03 C ATOM 1657 C LEU A 97 33.738 -13.690 -1.369 1.00 43.22 C ATOM 1658 O LEU A 97 33.307 -14.453 -0.505 1.00 72.32 O ATOM 1659 CB LEU A 97 32.154 -11.763 -1.547 1.00 13.51 C ATOM 1660 CG LEU A 97 31.058 -12.417 -0.705 1.00 72.00 C ATOM 1661 CD1 LEU A 97 31.328 -12.210 0.777 1.00 1.02 C ATOM 1662 CD2 LEU A 97 29.692 -11.862 -1.083 1.00 21.14 C ATOM 0 H LEU A 97 34.089 -10.938 -2.836 1.00 51.22 H new ATOM 0 HA LEU A 97 33.814 -11.909 -0.190 1.00 2.03 H new ATOM 0 HB2 LEU A 97 32.076 -10.682 -1.432 1.00 13.51 H new ATOM 0 HB3 LEU A 97 31.961 -11.987 -2.596 1.00 13.51 H new ATOM 0 HG LEU A 97 31.062 -13.488 -0.908 1.00 72.00 H new ATOM 0 HD11 LEU A 97 30.538 -12.682 1.360 1.00 1.02 H new ATOM 0 HD12 LEU A 97 32.288 -12.656 1.038 1.00 1.02 H new ATOM 0 HD13 LEU A 97 31.353 -11.143 0.997 1.00 1.02 H new ATOM 0 HD21 LEU A 97 28.924 -12.339 -0.474 1.00 21.14 H new ATOM 0 HD22 LEU A 97 29.676 -10.786 -0.910 1.00 21.14 H new ATOM 0 HD23 LEU A 97 29.496 -12.063 -2.136 1.00 21.14 H new ATOM 1674 N ARG A 98 34.354 -14.114 -2.468 1.00 54.01 N ATOM 1675 CA ARG A 98 34.561 -15.533 -2.728 1.00 73.52 C ATOM 1676 C ARG A 98 33.227 -16.253 -2.908 1.00 24.50 C ATOM 1677 O ARG A 98 32.180 -15.797 -2.449 1.00 43.51 O ATOM 1678 CB ARG A 98 35.348 -16.174 -1.584 1.00 0.15 C ATOM 1679 CG ARG A 98 36.435 -15.276 -1.015 1.00 61.41 C ATOM 1680 CD ARG A 98 37.386 -14.797 -2.101 1.00 31.12 C ATOM 1681 NE ARG A 98 38.690 -14.422 -1.560 1.00 54.20 N ATOM 1682 CZ ARG A 98 39.616 -13.774 -2.258 1.00 13.22 C ATOM 1683 NH1 ARG A 98 39.382 -13.431 -3.517 1.00 45.30 N ATOM 1684 NH2 ARG A 98 40.778 -13.467 -1.696 1.00 20.42 N ATOM 0 H ARG A 98 34.718 -13.495 -3.192 1.00 54.01 H new ATOM 0 HA ARG A 98 35.133 -15.628 -3.651 1.00 73.52 H new ATOM 0 HB2 ARG A 98 34.657 -16.445 -0.786 1.00 0.15 H new ATOM 0 HB3 ARG A 98 35.802 -17.099 -1.940 1.00 0.15 H new ATOM 0 HG2 ARG A 98 35.979 -14.416 -0.524 1.00 61.41 H new ATOM 0 HG3 ARG A 98 36.995 -15.818 -0.253 1.00 61.41 H new ATOM 0 HD2 ARG A 98 37.514 -15.585 -2.844 1.00 31.12 H new ATOM 0 HD3 ARG A 98 36.948 -13.942 -2.616 1.00 31.12 H new ATOM 0 HE ARG A 98 38.901 -14.671 -0.594 1.00 54.20 H new ATOM 0 HH11 ARG A 98 38.489 -13.665 -3.952 1.00 45.30 H new ATOM 0 HH12 ARG A 98 40.095 -12.933 -4.051 1.00 45.30 H new ATOM 0 HH21 ARG A 98 40.961 -13.729 -0.727 1.00 20.42 H new ATOM 0 HH22 ARG A 98 41.488 -12.969 -2.233 1.00 20.42 H new ATOM 1698 N PRO A 99 33.265 -17.407 -3.592 1.00 52.52 N ATOM 1699 CA PRO A 99 32.069 -18.214 -3.848 1.00 74.15 C ATOM 1700 C PRO A 99 31.529 -18.870 -2.582 1.00 4.33 C ATOM 1701 O PRO A 99 31.640 -20.083 -2.404 1.00 11.21 O ATOM 1702 CB PRO A 99 32.563 -19.278 -4.832 1.00 54.43 C ATOM 1703 CG PRO A 99 34.025 -19.388 -4.569 1.00 13.45 C ATOM 1704 CD PRO A 99 34.478 -18.011 -4.168 1.00 11.01 C ATOM 0 HA PRO A 99 31.245 -17.611 -4.229 1.00 74.15 H new ATOM 0 HB2 PRO A 99 32.059 -20.231 -4.671 1.00 54.43 H new ATOM 0 HB3 PRO A 99 32.367 -18.985 -5.863 1.00 54.43 H new ATOM 0 HG2 PRO A 99 34.226 -20.111 -3.778 1.00 13.45 H new ATOM 0 HG3 PRO A 99 34.557 -19.731 -5.457 1.00 13.45 H new ATOM 0 HD2 PRO A 99 35.290 -18.051 -3.442 1.00 11.01 H new ATOM 0 HD3 PRO A 99 34.842 -17.443 -5.024 1.00 11.01 H new ATOM 1712 N SER A 100 30.946 -18.060 -1.704 1.00 55.12 N ATOM 1713 CA SER A 100 30.392 -18.561 -0.452 1.00 30.52 C ATOM 1714 C SER A 100 28.887 -18.779 -0.572 1.00 14.33 C ATOM 1715 O SER A 100 28.279 -19.462 0.253 1.00 54.42 O ATOM 1716 CB SER A 100 30.689 -17.586 0.688 1.00 14.45 C ATOM 1717 OG SER A 100 32.031 -17.705 1.126 1.00 62.32 O ATOM 0 H SER A 100 30.845 -17.054 -1.837 1.00 55.12 H new ATOM 0 HA SER A 100 30.863 -19.519 -0.233 1.00 30.52 H new ATOM 0 HB2 SER A 100 30.501 -16.565 0.355 1.00 14.45 H new ATOM 0 HB3 SER A 100 30.013 -17.779 1.521 1.00 14.45 H new ATOM 0 HG SER A 100 32.260 -16.938 1.691 1.00 62.32 H new ATOM 1723 N PHE A 101 28.291 -18.192 -1.605 1.00 20.41 N ATOM 1724 CA PHE A 101 26.856 -18.320 -1.834 1.00 5.03 C ATOM 1725 C PHE A 101 26.428 -19.784 -1.799 1.00 23.23 C ATOM 1726 O PHE A 101 25.475 -20.147 -1.110 1.00 2.20 O ATOM 1727 CB PHE A 101 26.476 -17.698 -3.179 1.00 13.43 C ATOM 1728 CG PHE A 101 25.160 -16.974 -3.153 1.00 73.12 C ATOM 1729 CD1 PHE A 101 24.019 -17.601 -2.679 1.00 13.42 C ATOM 1730 CD2 PHE A 101 25.064 -15.668 -3.604 1.00 53.54 C ATOM 1731 CE1 PHE A 101 22.806 -16.938 -2.654 1.00 1.44 C ATOM 1732 CE2 PHE A 101 23.854 -14.999 -3.581 1.00 61.32 C ATOM 1733 CZ PHE A 101 22.724 -15.635 -3.106 1.00 73.55 C ATOM 0 H PHE A 101 28.779 -17.623 -2.297 1.00 20.41 H new ATOM 0 HA PHE A 101 26.337 -17.789 -1.036 1.00 5.03 H new ATOM 0 HB2 PHE A 101 27.258 -17.003 -3.483 1.00 13.43 H new ATOM 0 HB3 PHE A 101 26.435 -18.482 -3.935 1.00 13.43 H new ATOM 0 HD1 PHE A 101 24.078 -18.620 -2.325 1.00 13.42 H new ATOM 0 HD2 PHE A 101 25.944 -15.166 -3.978 1.00 53.54 H new ATOM 0 HE1 PHE A 101 21.924 -17.438 -2.282 1.00 1.44 H new ATOM 0 HE2 PHE A 101 23.793 -13.980 -3.934 1.00 61.32 H new ATOM 0 HZ PHE A 101 21.778 -15.115 -3.088 1.00 73.55 H new ATOM 1743 N ALA A 102 27.140 -20.621 -2.547 1.00 51.42 N ATOM 1744 CA ALA A 102 26.835 -22.045 -2.601 1.00 43.03 C ATOM 1745 C ALA A 102 26.799 -22.652 -1.203 1.00 25.20 C ATOM 1746 O ALA A 102 26.171 -23.687 -0.980 1.00 21.20 O ATOM 1747 CB ALA A 102 27.855 -22.770 -3.468 1.00 35.13 C ATOM 0 H ALA A 102 27.932 -20.337 -3.124 1.00 51.42 H new ATOM 0 HA ALA A 102 25.847 -22.164 -3.045 1.00 43.03 H new ATOM 0 HB1 ALA A 102 27.616 -23.833 -3.500 1.00 35.13 H new ATOM 0 HB2 ALA A 102 27.829 -22.362 -4.478 1.00 35.13 H new ATOM 0 HB3 ALA A 102 28.851 -22.635 -3.047 1.00 35.13 H new ATOM 1753 N LYS A 103 27.478 -22.003 -0.263 1.00 41.44 N ATOM 1754 CA LYS A 103 27.524 -22.478 1.114 1.00 1.54 C ATOM 1755 C LYS A 103 26.468 -21.780 1.966 1.00 73.33 C ATOM 1756 O LYS A 103 26.049 -22.300 3.000 1.00 54.34 O ATOM 1757 CB LYS A 103 28.913 -22.240 1.711 1.00 22.52 C ATOM 1758 CG LYS A 103 29.883 -23.383 1.467 1.00 63.41 C ATOM 1759 CD LYS A 103 30.122 -23.605 -0.017 1.00 40.53 C ATOM 1760 CE LYS A 103 31.387 -24.412 -0.264 1.00 42.11 C ATOM 1761 NZ LYS A 103 32.613 -23.579 -0.123 1.00 3.33 N ATOM 0 H LYS A 103 28.004 -21.146 -0.431 1.00 41.44 H new ATOM 0 HA LYS A 103 27.314 -23.548 1.110 1.00 1.54 H new ATOM 0 HB2 LYS A 103 29.329 -21.325 1.289 1.00 22.52 H new ATOM 0 HB3 LYS A 103 28.815 -22.080 2.785 1.00 22.52 H new ATOM 0 HG2 LYS A 103 30.831 -23.169 1.961 1.00 63.41 H new ATOM 0 HG3 LYS A 103 29.490 -24.296 1.914 1.00 63.41 H new ATOM 0 HD2 LYS A 103 29.267 -24.125 -0.450 1.00 40.53 H new ATOM 0 HD3 LYS A 103 30.199 -22.642 -0.522 1.00 40.53 H new ATOM 0 HE2 LYS A 103 31.430 -25.244 0.439 1.00 42.11 H new ATOM 0 HE3 LYS A 103 31.354 -24.842 -1.265 1.00 42.11 H new ATOM 0 HZ1 LYS A 103 33.449 -24.148 -0.365 1.00 3.33 H new ATOM 0 HZ2 LYS A 103 32.553 -22.762 -0.764 1.00 3.33 H new ATOM 0 HZ3 LYS A 103 32.694 -23.244 0.858 1.00 3.33 H new ATOM 1775 N ALA A 104 26.041 -20.602 1.523 1.00 32.12 N ATOM 1776 CA ALA A 104 25.031 -19.836 2.243 1.00 71.11 C ATOM 1777 C ALA A 104 23.625 -20.246 1.818 1.00 31.44 C ATOM 1778 O ALA A 104 22.644 -19.917 2.486 1.00 21.44 O ATOM 1779 CB ALA A 104 25.239 -18.346 2.017 1.00 13.12 C ATOM 0 H ALA A 104 26.379 -20.158 0.669 1.00 32.12 H new ATOM 0 HA ALA A 104 25.138 -20.050 3.306 1.00 71.11 H new ATOM 0 HB1 ALA A 104 24.478 -17.786 2.560 1.00 13.12 H new ATOM 0 HB2 ALA A 104 26.227 -18.058 2.376 1.00 13.12 H new ATOM 0 HB3 ALA A 104 25.161 -18.125 0.952 1.00 13.12 H new ATOM 1785 N ILE A 105 23.534 -20.965 0.705 1.00 63.33 N ATOM 1786 CA ILE A 105 22.248 -21.420 0.192 1.00 32.22 C ATOM 1787 C ILE A 105 21.389 -22.009 1.306 1.00 24.15 C ATOM 1788 O ILE A 105 20.235 -21.627 1.503 1.00 64.43 O ATOM 1789 CB ILE A 105 22.424 -22.475 -0.916 1.00 44.33 C ATOM 1790 CG1 ILE A 105 22.946 -21.818 -2.196 1.00 62.42 C ATOM 1791 CG2 ILE A 105 21.108 -23.191 -1.180 1.00 64.04 C ATOM 1792 CD1 ILE A 105 22.177 -20.579 -2.597 1.00 0.04 C ATOM 0 H ILE A 105 24.336 -21.245 0.141 1.00 63.33 H new ATOM 0 HA ILE A 105 21.749 -20.546 -0.226 1.00 32.22 H new ATOM 0 HB ILE A 105 23.155 -23.212 -0.583 1.00 44.33 H new ATOM 0 HG12 ILE A 105 23.995 -21.556 -2.058 1.00 62.42 H new ATOM 0 HG13 ILE A 105 22.903 -22.542 -3.010 1.00 62.42 H new ATOM 0 HG21 ILE A 105 21.249 -23.933 -1.966 1.00 64.04 H new ATOM 0 HG22 ILE A 105 20.774 -23.686 -0.268 1.00 64.04 H new ATOM 0 HG23 ILE A 105 20.357 -22.467 -1.496 1.00 64.04 H new ATOM 0 HD11 ILE A 105 22.602 -20.167 -3.512 1.00 0.04 H new ATOM 0 HD12 ILE A 105 21.132 -20.839 -2.767 1.00 0.04 H new ATOM 0 HD13 ILE A 105 22.242 -19.837 -1.801 1.00 0.04 H new ATOM 1804 N PRO A 106 21.965 -22.961 2.056 1.00 14.03 N ATOM 1805 CA PRO A 106 21.271 -23.622 3.166 1.00 51.41 C ATOM 1806 C PRO A 106 21.048 -22.686 4.349 1.00 23.35 C ATOM 1807 O PRO A 106 20.087 -22.842 5.104 1.00 63.22 O ATOM 1808 CB PRO A 106 22.222 -24.757 3.553 1.00 11.11 C ATOM 1809 CG PRO A 106 23.567 -24.290 3.115 1.00 61.43 C ATOM 1810 CD PRO A 106 23.337 -23.465 1.879 1.00 73.11 C ATOM 0 HA PRO A 106 20.275 -23.961 2.881 1.00 51.41 H new ATOM 0 HB2 PRO A 106 22.198 -24.945 4.626 1.00 11.11 H new ATOM 0 HB3 PRO A 106 21.947 -25.689 3.060 1.00 11.11 H new ATOM 0 HG2 PRO A 106 24.048 -23.699 3.895 1.00 61.43 H new ATOM 0 HG3 PRO A 106 24.224 -25.134 2.904 1.00 61.43 H new ATOM 0 HD2 PRO A 106 24.057 -22.651 1.800 1.00 73.11 H new ATOM 0 HD3 PRO A 106 23.432 -24.064 0.973 1.00 73.11 H new ATOM 1818 N CYS A 107 21.941 -21.715 4.506 1.00 20.20 N ATOM 1819 CA CYS A 107 21.842 -20.754 5.599 1.00 72.31 C ATOM 1820 C CYS A 107 20.754 -19.723 5.319 1.00 53.21 C ATOM 1821 O CYS A 107 20.299 -19.023 6.225 1.00 50.34 O ATOM 1822 CB CYS A 107 23.184 -20.053 5.812 1.00 11.32 C ATOM 1823 SG CYS A 107 24.611 -21.162 5.770 1.00 4.44 S ATOM 0 H CYS A 107 22.742 -21.572 3.890 1.00 20.20 H new ATOM 0 HA CYS A 107 21.577 -21.298 6.506 1.00 72.31 H new ATOM 0 HB2 CYS A 107 23.308 -19.289 5.045 1.00 11.32 H new ATOM 0 HB3 CYS A 107 23.165 -19.539 6.773 1.00 11.32 H new ATOM 0 HG CYS A 107 25.705 -20.460 5.745 1.00 4.44 H new ATOM 1829 N LEU A 108 20.341 -19.633 4.059 1.00 3.03 N ATOM 1830 CA LEU A 108 19.307 -18.685 3.659 1.00 61.34 C ATOM 1831 C LEU A 108 17.923 -19.321 3.746 1.00 41.42 C ATOM 1832 O LEU A 108 16.953 -18.668 4.130 1.00 53.31 O ATOM 1833 CB LEU A 108 19.565 -18.191 2.234 1.00 10.22 C ATOM 1834 CG LEU A 108 20.359 -16.890 2.109 1.00 71.13 C ATOM 1835 CD1 LEU A 108 19.467 -15.691 2.392 1.00 23.11 C ATOM 1836 CD2 LEU A 108 21.555 -16.902 3.050 1.00 74.11 C ATOM 0 H LEU A 108 20.706 -20.205 3.297 1.00 3.03 H new ATOM 0 HA LEU A 108 19.341 -17.837 4.343 1.00 61.34 H new ATOM 0 HB2 LEU A 108 20.097 -18.972 1.691 1.00 10.22 H new ATOM 0 HB3 LEU A 108 18.604 -18.056 1.738 1.00 10.22 H new ATOM 0 HG LEU A 108 20.728 -16.809 1.087 1.00 71.13 H new ATOM 0 HD11 LEU A 108 20.049 -14.774 2.298 1.00 23.11 H new ATOM 0 HD12 LEU A 108 18.644 -15.673 1.677 1.00 23.11 H new ATOM 0 HD13 LEU A 108 19.068 -15.765 3.403 1.00 23.11 H new ATOM 0 HD21 LEU A 108 22.108 -15.968 2.947 1.00 74.11 H new ATOM 0 HD22 LEU A 108 21.208 -17.007 4.078 1.00 74.11 H new ATOM 0 HD23 LEU A 108 22.207 -17.739 2.800 1.00 74.11 H new ATOM 1848 N ARG A 109 17.841 -20.598 3.389 1.00 75.12 N ATOM 1849 CA ARG A 109 16.576 -21.322 3.428 1.00 73.03 C ATOM 1850 C ARG A 109 16.292 -21.845 4.833 1.00 74.13 C ATOM 1851 O ARG A 109 15.135 -22.001 5.227 1.00 43.53 O ATOM 1852 CB ARG A 109 16.598 -22.485 2.434 1.00 43.21 C ATOM 1853 CG ARG A 109 17.750 -23.452 2.654 1.00 1.12 C ATOM 1854 CD ARG A 109 17.744 -24.569 1.623 1.00 63.33 C ATOM 1855 NE ARG A 109 18.217 -25.833 2.182 1.00 13.11 N ATOM 1856 CZ ARG A 109 17.533 -26.544 3.071 1.00 34.51 C ATOM 1857 NH1 ARG A 109 16.352 -26.119 3.499 1.00 42.30 N ATOM 1858 NH2 ARG A 109 18.029 -27.685 3.533 1.00 0.14 N ATOM 0 H ARG A 109 18.635 -21.153 3.070 1.00 75.12 H new ATOM 0 HA ARG A 109 15.782 -20.630 3.149 1.00 73.03 H new ATOM 0 HB2 ARG A 109 15.657 -23.031 2.506 1.00 43.21 H new ATOM 0 HB3 ARG A 109 16.658 -22.086 1.422 1.00 43.21 H new ATOM 0 HG2 ARG A 109 18.695 -22.912 2.601 1.00 1.12 H new ATOM 0 HG3 ARG A 109 17.682 -23.879 3.655 1.00 1.12 H new ATOM 0 HD2 ARG A 109 16.733 -24.700 1.236 1.00 63.33 H new ATOM 0 HD3 ARG A 109 18.374 -24.287 0.780 1.00 63.33 H new ATOM 0 HE ARG A 109 19.122 -26.189 1.873 1.00 13.11 H new ATOM 0 HH11 ARG A 109 15.966 -25.243 3.145 1.00 42.30 H new ATOM 0 HH12 ARG A 109 15.829 -26.668 4.182 1.00 42.30 H new ATOM 0 HH21 ARG A 109 18.936 -28.016 3.205 1.00 0.14 H new ATOM 0 HH22 ARG A 109 17.503 -28.230 4.216 1.00 0.14 H new ATOM 1872 N HIS A 110 17.354 -22.116 5.584 1.00 3.40 N ATOM 1873 CA HIS A 110 17.219 -22.621 6.945 1.00 24.35 C ATOM 1874 C HIS A 110 16.378 -21.674 7.796 1.00 60.31 C ATOM 1875 O HIS A 110 15.803 -22.078 8.807 1.00 74.42 O ATOM 1876 CB HIS A 110 18.597 -22.809 7.581 1.00 1.34 C ATOM 1877 CG HIS A 110 18.543 -23.156 9.037 1.00 14.23 C ATOM 1878 ND1 HIS A 110 18.169 -24.400 9.501 1.00 2.51 N ATOM 1879 CD2 HIS A 110 18.819 -22.414 10.135 1.00 13.22 C ATOM 1880 CE1 HIS A 110 18.216 -24.407 10.821 1.00 23.03 C ATOM 1881 NE2 HIS A 110 18.608 -23.214 11.231 1.00 21.10 N ATOM 0 H HIS A 110 18.318 -21.994 5.273 1.00 3.40 H new ATOM 0 HA HIS A 110 16.713 -23.586 6.899 1.00 24.35 H new ATOM 0 HB2 HIS A 110 19.130 -23.597 7.048 1.00 1.34 H new ATOM 0 HB3 HIS A 110 19.174 -21.893 7.456 1.00 1.34 H new ATOM 0 HD2 HIS A 110 19.145 -21.384 10.147 1.00 13.22 H new ATOM 0 HE1 HIS A 110 17.975 -25.246 11.457 1.00 23.03 H new ATOM 0 HE2 HIS A 110 18.734 -22.933 12.203 1.00 21.10 H new ATOM 1889 N ILE A 111 16.312 -20.414 7.380 1.00 21.11 N ATOM 1890 CA ILE A 111 15.541 -19.411 8.104 1.00 41.23 C ATOM 1891 C ILE A 111 14.180 -19.188 7.453 1.00 63.25 C ATOM 1892 O ILE A 111 13.325 -18.493 8.001 1.00 72.22 O ATOM 1893 CB ILE A 111 16.290 -18.067 8.173 1.00 65.10 C ATOM 1894 CG1 ILE A 111 16.862 -17.706 6.800 1.00 11.55 C ATOM 1895 CG2 ILE A 111 17.398 -18.131 9.214 1.00 63.52 C ATOM 1896 CD1 ILE A 111 17.447 -16.312 6.737 1.00 11.05 C ATOM 0 H ILE A 111 16.783 -20.063 6.546 1.00 21.11 H new ATOM 0 HA ILE A 111 15.400 -19.792 9.116 1.00 41.23 H new ATOM 0 HB ILE A 111 15.585 -17.290 8.468 1.00 65.10 H new ATOM 0 HG12 ILE A 111 17.635 -18.428 6.536 1.00 11.55 H new ATOM 0 HG13 ILE A 111 16.074 -17.795 6.052 1.00 11.55 H new ATOM 0 HG21 ILE A 111 17.918 -17.174 9.251 1.00 63.52 H new ATOM 0 HG22 ILE A 111 16.967 -18.348 10.191 1.00 63.52 H new ATOM 0 HG23 ILE A 111 18.104 -18.917 8.946 1.00 63.52 H new ATOM 0 HD11 ILE A 111 17.834 -16.125 5.735 1.00 11.05 H new ATOM 0 HD12 ILE A 111 16.672 -15.581 6.970 1.00 11.05 H new ATOM 0 HD13 ILE A 111 18.257 -16.224 7.461 1.00 11.05 H new ATOM 1908 N ARG A 112 13.987 -19.784 6.281 1.00 73.34 N ATOM 1909 CA ARG A 112 12.729 -19.652 5.555 1.00 43.24 C ATOM 1910 C ARG A 112 12.595 -18.257 4.950 1.00 32.23 C ATOM 1911 O ARG A 112 11.641 -17.534 5.239 1.00 3.03 O ATOM 1912 CB ARG A 112 11.547 -19.933 6.484 1.00 1.30 C ATOM 1913 CG ARG A 112 11.732 -21.170 7.348 1.00 41.51 C ATOM 1914 CD ARG A 112 10.813 -21.146 8.559 1.00 54.21 C ATOM 1915 NE ARG A 112 9.585 -21.903 8.329 1.00 23.43 N ATOM 1916 CZ ARG A 112 8.791 -22.329 9.305 1.00 21.21 C ATOM 1917 NH1 ARG A 112 9.094 -22.073 10.570 1.00 14.52 N ATOM 1918 NH2 ARG A 112 7.691 -23.013 9.016 1.00 22.03 N ATOM 0 H ARG A 112 14.685 -20.363 5.814 1.00 73.34 H new ATOM 0 HA ARG A 112 12.727 -20.382 4.746 1.00 43.24 H new ATOM 0 HB2 ARG A 112 11.390 -19.069 7.130 1.00 1.30 H new ATOM 0 HB3 ARG A 112 10.644 -20.051 5.884 1.00 1.30 H new ATOM 0 HG2 ARG A 112 11.531 -22.062 6.755 1.00 41.51 H new ATOM 0 HG3 ARG A 112 12.769 -21.233 7.678 1.00 41.51 H new ATOM 0 HD2 ARG A 112 11.338 -21.559 9.420 1.00 54.21 H new ATOM 0 HD3 ARG A 112 10.562 -20.114 8.803 1.00 54.21 H new ATOM 0 HE ARG A 112 9.323 -22.116 7.367 1.00 23.43 H new ATOM 0 HH11 ARG A 112 9.939 -21.548 10.796 1.00 14.52 H new ATOM 0 HH12 ARG A 112 8.482 -22.401 11.317 1.00 14.52 H new ATOM 0 HH21 ARG A 112 7.455 -23.212 8.044 1.00 22.03 H new ATOM 0 HH22 ARG A 112 7.082 -23.340 9.766 1.00 22.03 H new ATOM 1932 N ARG A 113 13.556 -17.886 4.111 1.00 61.52 N ATOM 1933 CA ARG A 113 13.546 -16.578 3.467 1.00 30.34 C ATOM 1934 C ARG A 113 13.587 -16.719 1.949 1.00 75.15 C ATOM 1935 O ARG A 113 12.907 -15.986 1.229 1.00 21.22 O ATOM 1936 CB ARG A 113 14.735 -15.742 3.945 1.00 71.34 C ATOM 1937 CG ARG A 113 14.626 -15.300 5.395 1.00 72.52 C ATOM 1938 CD ARG A 113 15.452 -14.052 5.660 1.00 13.44 C ATOM 1939 NE ARG A 113 15.419 -13.663 7.068 1.00 42.22 N ATOM 1940 CZ ARG A 113 15.677 -12.432 7.496 1.00 21.34 C ATOM 1941 NH1 ARG A 113 15.984 -11.476 6.631 1.00 24.00 N ATOM 1942 NH2 ARG A 113 15.627 -12.156 8.793 1.00 22.13 N ATOM 0 H ARG A 113 14.352 -18.473 3.861 1.00 61.52 H new ATOM 0 HA ARG A 113 12.621 -16.072 3.742 1.00 30.34 H new ATOM 0 HB2 ARG A 113 15.650 -16.321 3.819 1.00 71.34 H new ATOM 0 HB3 ARG A 113 14.826 -14.860 3.311 1.00 71.34 H new ATOM 0 HG2 ARG A 113 13.582 -15.105 5.640 1.00 72.52 H new ATOM 0 HG3 ARG A 113 14.962 -16.105 6.048 1.00 72.52 H new ATOM 0 HD2 ARG A 113 16.484 -14.229 5.357 1.00 13.44 H new ATOM 0 HD3 ARG A 113 15.076 -13.232 5.048 1.00 13.44 H new ATOM 0 HE ARG A 113 15.185 -14.375 7.760 1.00 42.22 H new ATOM 0 HH11 ARG A 113 16.023 -11.684 5.633 1.00 24.00 H new ATOM 0 HH12 ARG A 113 16.181 -10.532 6.963 1.00 24.00 H new ATOM 0 HH21 ARG A 113 15.390 -12.889 9.462 1.00 22.13 H new ATOM 0 HH22 ARG A 113 15.825 -11.211 9.121 1.00 22.13 H new ATOM 1956 N ILE A 114 14.387 -17.665 1.468 1.00 2.44 N ATOM 1957 CA ILE A 114 14.515 -17.901 0.036 1.00 65.41 C ATOM 1958 C ILE A 114 14.811 -19.369 -0.254 1.00 52.14 C ATOM 1959 O ILE A 114 15.237 -20.113 0.629 1.00 60.44 O ATOM 1960 CB ILE A 114 15.629 -17.034 -0.581 1.00 15.44 C ATOM 1961 CG1 ILE A 114 17.004 -17.591 -0.210 1.00 23.04 C ATOM 1962 CG2 ILE A 114 15.493 -15.591 -0.118 1.00 1.25 C ATOM 1963 CD1 ILE A 114 17.699 -18.296 -1.353 1.00 60.33 C ATOM 0 H ILE A 114 14.956 -18.280 2.049 1.00 2.44 H new ATOM 0 HA ILE A 114 13.561 -17.628 -0.415 1.00 65.41 H new ATOM 0 HB ILE A 114 15.530 -17.058 -1.666 1.00 15.44 H new ATOM 0 HG12 ILE A 114 17.635 -16.774 0.140 1.00 23.04 H new ATOM 0 HG13 ILE A 114 16.893 -18.287 0.622 1.00 23.04 H new ATOM 0 HG21 ILE A 114 16.287 -14.990 -0.562 1.00 1.25 H new ATOM 0 HG22 ILE A 114 14.524 -15.199 -0.428 1.00 1.25 H new ATOM 0 HG23 ILE A 114 15.570 -15.549 0.968 1.00 1.25 H new ATOM 0 HD11 ILE A 114 18.668 -18.665 -1.017 1.00 60.33 H new ATOM 0 HD12 ILE A 114 17.088 -19.134 -1.689 1.00 60.33 H new ATOM 0 HD13 ILE A 114 17.842 -17.598 -2.178 1.00 60.33 H new ATOM 1975 N ARG A 115 14.583 -19.778 -1.498 1.00 51.13 N ATOM 1976 CA ARG A 115 14.825 -21.157 -1.906 1.00 1.43 C ATOM 1977 C ARG A 115 15.723 -21.209 -3.139 1.00 33.45 C ATOM 1978 O ARG A 115 16.118 -20.175 -3.675 1.00 15.22 O ATOM 1979 CB ARG A 115 13.501 -21.865 -2.195 1.00 73.42 C ATOM 1980 CG ARG A 115 13.024 -22.754 -1.058 1.00 11.43 C ATOM 1981 CD ARG A 115 12.248 -23.954 -1.576 1.00 72.21 C ATOM 1982 NE ARG A 115 12.058 -24.970 -0.544 1.00 62.34 N ATOM 1983 CZ ARG A 115 13.026 -25.775 -0.118 1.00 53.35 C ATOM 1984 NH1 ARG A 115 14.244 -25.681 -0.633 1.00 22.55 N ATOM 1985 NH2 ARG A 115 12.775 -26.674 0.824 1.00 22.51 N ATOM 0 H ARG A 115 14.231 -19.174 -2.241 1.00 51.13 H new ATOM 0 HA ARG A 115 15.331 -21.669 -1.088 1.00 1.43 H new ATOM 0 HB2 ARG A 115 12.737 -21.117 -2.405 1.00 73.42 H new ATOM 0 HB3 ARG A 115 13.611 -22.469 -3.096 1.00 73.42 H new ATOM 0 HG2 ARG A 115 13.881 -23.097 -0.479 1.00 11.43 H new ATOM 0 HG3 ARG A 115 12.393 -22.176 -0.383 1.00 11.43 H new ATOM 0 HD2 ARG A 115 11.276 -23.626 -1.945 1.00 72.21 H new ATOM 0 HD3 ARG A 115 12.779 -24.391 -2.422 1.00 72.21 H new ATOM 0 HE ARG A 115 11.132 -25.067 -0.128 1.00 62.34 H new ATOM 0 HH11 ARG A 115 14.439 -24.990 -1.357 1.00 22.55 H new ATOM 0 HH12 ARG A 115 14.986 -26.300 -0.305 1.00 22.55 H new ATOM 0 HH21 ARG A 115 11.839 -26.748 1.222 1.00 22.51 H new ATOM 0 HH22 ARG A 115 13.518 -27.292 1.151 1.00 22.51 H new ATOM 1999 N GLU A 116 16.041 -22.422 -3.581 1.00 51.01 N ATOM 2000 CA GLU A 116 16.893 -22.609 -4.750 1.00 10.34 C ATOM 2001 C GLU A 116 16.311 -23.665 -5.684 1.00 54.25 C ATOM 2002 O GLU A 116 15.997 -24.777 -5.262 1.00 12.14 O ATOM 2003 CB GLU A 116 18.304 -23.015 -4.320 1.00 2.34 C ATOM 2004 CG GLU A 116 18.349 -23.736 -2.983 1.00 64.21 C ATOM 2005 CD GLU A 116 17.417 -24.931 -2.933 1.00 55.42 C ATOM 2006 OE1 GLU A 116 17.738 -25.962 -3.560 1.00 55.42 O ATOM 2007 OE2 GLU A 116 16.365 -24.834 -2.266 1.00 40.21 O ATOM 0 H GLU A 116 15.722 -23.289 -3.148 1.00 51.01 H new ATOM 0 HA GLU A 116 16.943 -21.662 -5.287 1.00 10.34 H new ATOM 0 HB2 GLU A 116 18.737 -23.659 -5.085 1.00 2.34 H new ATOM 0 HB3 GLU A 116 18.928 -22.123 -4.264 1.00 2.34 H new ATOM 0 HG2 GLU A 116 19.369 -24.067 -2.787 1.00 64.21 H new ATOM 0 HG3 GLU A 116 18.082 -23.038 -2.189 1.00 64.21 H new ATOM 2014 N GLU A 117 16.169 -23.307 -6.957 1.00 21.00 N ATOM 2015 CA GLU A 117 15.623 -24.223 -7.951 1.00 62.42 C ATOM 2016 C GLU A 117 16.693 -24.632 -8.960 1.00 52.42 C ATOM 2017 O GLU A 117 17.065 -23.851 -9.836 1.00 41.32 O ATOM 2018 CB GLU A 117 14.441 -23.578 -8.678 1.00 2.15 C ATOM 2019 CG GLU A 117 13.261 -24.515 -8.873 1.00 24.34 C ATOM 2020 CD GLU A 117 11.930 -23.839 -8.611 1.00 34.13 C ATOM 2021 OE1 GLU A 117 11.790 -22.649 -8.962 1.00 3.44 O ATOM 2022 OE2 GLU A 117 11.027 -24.500 -8.055 1.00 43.41 O ATOM 0 H GLU A 117 16.424 -22.390 -7.323 1.00 21.00 H new ATOM 0 HA GLU A 117 15.277 -25.117 -7.432 1.00 62.42 H new ATOM 0 HB2 GLU A 117 14.112 -22.705 -8.115 1.00 2.15 H new ATOM 0 HB3 GLU A 117 14.775 -23.221 -9.652 1.00 2.15 H new ATOM 0 HG2 GLU A 117 13.273 -24.902 -9.892 1.00 24.34 H new ATOM 0 HG3 GLU A 117 13.367 -25.371 -8.206 1.00 24.34 H new ATOM 2029 N ARG A 118 17.183 -25.860 -8.830 1.00 0.14 N ATOM 2030 CA ARG A 118 18.211 -26.372 -9.728 1.00 52.10 C ATOM 2031 C ARG A 118 17.624 -26.692 -11.100 1.00 12.53 C ATOM 2032 O ARG A 118 16.961 -27.714 -11.279 1.00 54.32 O ATOM 2033 CB ARG A 118 18.859 -27.624 -9.135 1.00 4.14 C ATOM 2034 CG ARG A 118 19.558 -28.495 -10.166 1.00 2.22 C ATOM 2035 CD ARG A 118 20.583 -27.702 -10.962 1.00 30.00 C ATOM 2036 NE ARG A 118 21.650 -27.179 -10.113 1.00 40.11 N ATOM 2037 CZ ARG A 118 22.656 -27.917 -9.658 1.00 61.53 C ATOM 2038 NH1 ARG A 118 22.732 -29.204 -9.970 1.00 1.03 N ATOM 2039 NH2 ARG A 118 23.589 -27.369 -8.891 1.00 22.15 N ATOM 0 H ARG A 118 16.885 -26.519 -8.111 1.00 0.14 H new ATOM 0 HA ARG A 118 18.971 -25.600 -9.847 1.00 52.10 H new ATOM 0 HB2 ARG A 118 19.581 -27.324 -8.376 1.00 4.14 H new ATOM 0 HB3 ARG A 118 18.094 -28.215 -8.631 1.00 4.14 H new ATOM 0 HG2 ARG A 118 20.050 -29.329 -9.666 1.00 2.22 H new ATOM 0 HG3 ARG A 118 18.819 -28.921 -10.845 1.00 2.22 H new ATOM 0 HD2 ARG A 118 21.014 -28.339 -11.734 1.00 30.00 H new ATOM 0 HD3 ARG A 118 20.087 -26.876 -11.471 1.00 30.00 H new ATOM 0 HE ARG A 118 21.621 -26.193 -9.855 1.00 40.11 H new ATOM 0 HH11 ARG A 118 22.017 -29.629 -10.561 1.00 1.03 H new ATOM 0 HH12 ARG A 118 23.506 -29.769 -9.619 1.00 1.03 H new ATOM 0 HH21 ARG A 118 23.534 -26.379 -8.650 1.00 22.15 H new ATOM 0 HH22 ARG A 118 24.361 -27.937 -8.542 1.00 22.15 H new ATOM 2053 N CYS A 119 17.872 -25.811 -12.063 1.00 74.21 N ATOM 2054 CA CYS A 119 17.367 -25.999 -13.419 1.00 14.24 C ATOM 2055 C CYS A 119 18.515 -26.175 -14.407 1.00 53.21 C ATOM 2056 O CYS A 119 18.921 -25.227 -15.078 1.00 11.23 O ATOM 2057 CB CYS A 119 16.500 -24.808 -13.832 1.00 20.25 C ATOM 2058 SG CYS A 119 15.340 -24.262 -12.557 1.00 32.23 S ATOM 0 H CYS A 119 18.419 -24.960 -11.930 1.00 74.21 H new ATOM 0 HA CYS A 119 16.759 -26.904 -13.432 1.00 14.24 H new ATOM 0 HB2 CYS A 119 17.150 -23.974 -14.098 1.00 20.25 H new ATOM 0 HB3 CYS A 119 15.939 -25.074 -14.728 1.00 20.25 H new ATOM 0 HG CYS A 119 15.981 -24.062 -11.444 1.00 32.23 H new ATOM 2064 N GLY A 120 19.035 -27.395 -14.490 1.00 63.55 N ATOM 2065 CA GLY A 120 20.133 -27.673 -15.398 1.00 22.30 C ATOM 2066 C GLY A 120 21.415 -26.976 -14.988 1.00 0.11 C ATOM 2067 O GLY A 120 21.763 -26.913 -13.809 1.00 32.05 O ATOM 0 H GLY A 120 18.716 -28.196 -13.945 1.00 63.55 H new ATOM 0 HA2 GLY A 120 20.304 -28.749 -15.437 1.00 22.30 H new ATOM 0 HA3 GLY A 120 19.857 -27.357 -16.404 1.00 22.30 H new ATOM 2071 N PRO A 121 22.143 -26.437 -15.977 1.00 71.44 N ATOM 2072 CA PRO A 121 23.406 -25.733 -15.738 1.00 13.51 C ATOM 2073 C PRO A 121 23.199 -24.397 -15.031 1.00 23.42 C ATOM 2074 O PRO A 121 24.155 -23.661 -14.781 1.00 72.12 O ATOM 2075 CB PRO A 121 23.961 -25.511 -17.147 1.00 62.10 C ATOM 2076 CG PRO A 121 22.762 -25.514 -18.032 1.00 24.15 C ATOM 2077 CD PRO A 121 21.789 -26.475 -17.406 1.00 51.53 C ATOM 0 HA PRO A 121 24.072 -26.300 -15.087 1.00 13.51 H new ATOM 0 HB2 PRO A 121 24.501 -24.567 -17.215 1.00 62.10 H new ATOM 0 HB3 PRO A 121 24.661 -26.299 -17.426 1.00 62.10 H new ATOM 0 HG2 PRO A 121 22.331 -24.516 -18.108 1.00 24.15 H new ATOM 0 HG3 PRO A 121 23.024 -25.826 -19.043 1.00 24.15 H new ATOM 0 HD2 PRO A 121 20.757 -26.167 -17.573 1.00 51.53 H new ATOM 0 HD3 PRO A 121 21.893 -27.478 -17.819 1.00 51.53 H new ATOM 2085 N LEU A 122 21.947 -24.091 -14.710 1.00 3.33 N ATOM 2086 CA LEU A 122 21.615 -22.843 -14.030 1.00 64.30 C ATOM 2087 C LEU A 122 20.952 -23.116 -12.684 1.00 73.51 C ATOM 2088 O LEU A 122 20.721 -24.269 -12.315 1.00 42.41 O ATOM 2089 CB LEU A 122 20.691 -21.994 -14.904 1.00 44.51 C ATOM 2090 CG LEU A 122 21.080 -21.879 -16.379 1.00 22.25 C ATOM 2091 CD1 LEU A 122 20.126 -22.685 -17.246 1.00 52.33 C ATOM 2092 CD2 LEU A 122 21.098 -20.421 -16.814 1.00 20.12 C ATOM 0 H LEU A 122 21.145 -24.689 -14.909 1.00 3.33 H new ATOM 0 HA LEU A 122 22.541 -22.296 -13.853 1.00 64.30 H new ATOM 0 HB2 LEU A 122 19.685 -22.410 -14.846 1.00 44.51 H new ATOM 0 HB3 LEU A 122 20.646 -20.990 -14.482 1.00 44.51 H new ATOM 0 HG LEU A 122 22.083 -22.286 -16.504 1.00 22.25 H new ATOM 0 HD11 LEU A 122 20.418 -22.592 -18.292 1.00 52.33 H new ATOM 0 HD12 LEU A 122 20.164 -23.734 -16.951 1.00 52.33 H new ATOM 0 HD13 LEU A 122 19.111 -22.308 -17.117 1.00 52.33 H new ATOM 0 HD21 LEU A 122 21.377 -20.359 -17.866 1.00 20.12 H new ATOM 0 HD22 LEU A 122 20.108 -19.987 -16.675 1.00 20.12 H new ATOM 0 HD23 LEU A 122 21.823 -19.871 -16.213 1.00 20.12 H new ATOM 2104 N THR A 123 20.644 -22.049 -11.954 1.00 41.31 N ATOM 2105 CA THR A 123 20.006 -22.173 -10.650 1.00 12.32 C ATOM 2106 C THR A 123 19.275 -20.889 -10.271 1.00 25.41 C ATOM 2107 O THR A 123 19.861 -19.807 -10.271 1.00 5.41 O ATOM 2108 CB THR A 123 21.032 -22.509 -9.552 1.00 22.23 C ATOM 2109 OG1 THR A 123 22.055 -23.359 -10.081 1.00 64.35 O ATOM 2110 CG2 THR A 123 20.358 -23.193 -8.372 1.00 30.10 C ATOM 0 H THR A 123 20.826 -21.088 -12.244 1.00 41.31 H new ATOM 0 HA THR A 123 19.287 -22.989 -10.727 1.00 12.32 H new ATOM 0 HB THR A 123 21.478 -21.577 -9.205 1.00 22.23 H new ATOM 0 HG1 THR A 123 22.704 -23.567 -9.377 1.00 64.35 H new ATOM 0 HG21 THR A 123 21.103 -23.421 -7.609 1.00 30.10 H new ATOM 0 HG22 THR A 123 19.600 -22.532 -7.953 1.00 30.10 H new ATOM 0 HG23 THR A 123 19.888 -24.118 -8.707 1.00 30.10 H new ATOM 2118 N PHE A 124 17.993 -21.017 -9.948 1.00 31.44 N ATOM 2119 CA PHE A 124 17.182 -19.867 -9.567 1.00 10.15 C ATOM 2120 C PHE A 124 16.903 -19.871 -8.066 1.00 73.24 C ATOM 2121 O PHE A 124 17.238 -20.825 -7.364 1.00 71.52 O ATOM 2122 CB PHE A 124 15.863 -19.866 -10.342 1.00 61.33 C ATOM 2123 CG PHE A 124 16.043 -19.767 -11.830 1.00 71.12 C ATOM 2124 CD1 PHE A 124 16.381 -20.884 -12.576 1.00 64.34 C ATOM 2125 CD2 PHE A 124 15.874 -18.556 -12.482 1.00 71.45 C ATOM 2126 CE1 PHE A 124 16.547 -20.797 -13.946 1.00 3.41 C ATOM 2127 CE2 PHE A 124 16.038 -18.463 -13.852 1.00 10.34 C ATOM 2128 CZ PHE A 124 16.376 -19.584 -14.584 1.00 43.20 C ATOM 0 H PHE A 124 17.493 -21.906 -9.942 1.00 31.44 H new ATOM 0 HA PHE A 124 17.740 -18.964 -9.813 1.00 10.15 H new ATOM 0 HB2 PHE A 124 15.314 -20.779 -10.110 1.00 61.33 H new ATOM 0 HB3 PHE A 124 15.251 -19.031 -10.002 1.00 61.33 H new ATOM 0 HD1 PHE A 124 16.517 -21.835 -12.082 1.00 64.34 H new ATOM 0 HD2 PHE A 124 15.611 -17.676 -11.914 1.00 71.45 H new ATOM 0 HE1 PHE A 124 16.810 -21.676 -14.516 1.00 3.41 H new ATOM 0 HE2 PHE A 124 15.902 -17.514 -14.349 1.00 10.34 H new ATOM 0 HZ PHE A 124 16.506 -19.512 -15.654 1.00 43.20 H new ATOM 2138 N TYR A 125 16.287 -18.798 -7.582 1.00 64.24 N ATOM 2139 CA TYR A 125 15.965 -18.676 -6.166 1.00 3.24 C ATOM 2140 C TYR A 125 14.711 -17.831 -5.963 1.00 61.10 C ATOM 2141 O TYR A 125 14.602 -16.724 -6.491 1.00 5.04 O ATOM 2142 CB TYR A 125 17.139 -18.056 -5.406 1.00 3.01 C ATOM 2143 CG TYR A 125 18.479 -18.659 -5.765 1.00 13.40 C ATOM 2144 CD1 TYR A 125 19.190 -18.209 -6.871 1.00 25.34 C ATOM 2145 CD2 TYR A 125 19.032 -19.678 -5.000 1.00 1.54 C ATOM 2146 CE1 TYR A 125 20.414 -18.757 -7.203 1.00 63.31 C ATOM 2147 CE2 TYR A 125 20.256 -20.230 -5.324 1.00 31.33 C ATOM 2148 CZ TYR A 125 20.943 -19.767 -6.426 1.00 60.03 C ATOM 2149 OH TYR A 125 22.162 -20.316 -6.753 1.00 73.03 O ATOM 0 H TYR A 125 16.001 -18.000 -8.150 1.00 64.24 H new ATOM 0 HA TYR A 125 15.775 -19.676 -5.776 1.00 3.24 H new ATOM 0 HB2 TYR A 125 17.166 -16.985 -5.607 1.00 3.01 H new ATOM 0 HB3 TYR A 125 16.971 -18.175 -4.336 1.00 3.01 H new ATOM 0 HD1 TYR A 125 18.779 -17.418 -7.481 1.00 25.34 H new ATOM 0 HD2 TYR A 125 18.496 -20.045 -4.137 1.00 1.54 H new ATOM 0 HE1 TYR A 125 20.954 -18.397 -8.066 1.00 63.31 H new ATOM 0 HE2 TYR A 125 20.673 -21.020 -4.717 1.00 31.33 H new ATOM 0 HH TYR A 125 22.391 -21.014 -6.104 1.00 73.03 H new ATOM 2159 N TYR A 126 13.766 -18.362 -5.195 1.00 5.24 N ATOM 2160 CA TYR A 126 12.518 -17.659 -4.922 1.00 43.15 C ATOM 2161 C TYR A 126 12.332 -17.440 -3.424 1.00 73.22 C ATOM 2162 O TYR A 126 12.745 -18.252 -2.596 1.00 0.01 O ATOM 2163 CB TYR A 126 11.333 -18.444 -5.486 1.00 71.50 C ATOM 2164 CG TYR A 126 11.430 -19.936 -5.254 1.00 54.55 C ATOM 2165 CD1 TYR A 126 12.177 -20.743 -6.103 1.00 35.43 C ATOM 2166 CD2 TYR A 126 10.774 -20.536 -4.186 1.00 64.24 C ATOM 2167 CE1 TYR A 126 12.267 -22.106 -5.895 1.00 72.13 C ATOM 2168 CE2 TYR A 126 10.860 -21.898 -3.970 1.00 63.04 C ATOM 2169 CZ TYR A 126 11.607 -22.679 -4.828 1.00 2.33 C ATOM 2170 OH TYR A 126 11.696 -24.036 -4.617 1.00 12.42 O ATOM 0 H TYR A 126 13.840 -19.277 -4.750 1.00 5.24 H new ATOM 0 HA TYR A 126 12.565 -16.685 -5.409 1.00 43.15 H new ATOM 0 HB2 TYR A 126 10.414 -18.073 -5.033 1.00 71.50 H new ATOM 0 HB3 TYR A 126 11.259 -18.255 -6.557 1.00 71.50 H new ATOM 0 HD1 TYR A 126 12.696 -20.298 -6.939 1.00 35.43 H new ATOM 0 HD2 TYR A 126 10.187 -19.928 -3.514 1.00 64.24 H new ATOM 0 HE1 TYR A 126 12.851 -22.720 -6.565 1.00 72.13 H new ATOM 0 HE2 TYR A 126 10.345 -22.349 -3.134 1.00 63.04 H new ATOM 0 HH TYR A 126 12.560 -24.362 -4.945 1.00 12.42 H new ATOM 2180 N PRO A 127 11.693 -16.316 -3.066 1.00 71.44 N ATOM 2181 CA PRO A 127 11.435 -15.964 -1.667 1.00 52.32 C ATOM 2182 C PRO A 127 10.397 -16.875 -1.021 1.00 62.54 C ATOM 2183 O PRO A 127 9.225 -16.518 -0.910 1.00 44.34 O ATOM 2184 CB PRO A 127 10.906 -14.530 -1.755 1.00 2.25 C ATOM 2185 CG PRO A 127 10.328 -14.422 -3.123 1.00 52.02 C ATOM 2186 CD PRO A 127 11.173 -15.304 -4.000 1.00 52.35 C ATOM 0 HA PRO A 127 12.327 -16.068 -1.050 1.00 52.32 H new ATOM 0 HB2 PRO A 127 10.153 -14.339 -0.991 1.00 2.25 H new ATOM 0 HB3 PRO A 127 11.705 -13.804 -1.604 1.00 2.25 H new ATOM 0 HG2 PRO A 127 9.287 -14.744 -3.133 1.00 52.02 H new ATOM 0 HG3 PRO A 127 10.346 -13.390 -3.474 1.00 52.02 H new ATOM 0 HD2 PRO A 127 10.586 -15.758 -4.798 1.00 52.35 H new ATOM 0 HD3 PRO A 127 11.979 -14.744 -4.476 1.00 52.35 H new ATOM 2194 N GLY A 128 10.836 -18.056 -0.596 1.00 23.30 N ATOM 2195 CA GLY A 128 9.932 -19.001 0.034 1.00 44.20 C ATOM 2196 C GLY A 128 8.645 -19.179 -0.745 1.00 73.15 C ATOM 2197 O GLY A 128 7.661 -18.480 -0.501 1.00 44.13 O ATOM 0 H GLY A 128 11.801 -18.375 -0.677 1.00 23.30 H new ATOM 0 HA2 GLY A 128 10.430 -19.966 0.132 1.00 44.20 H new ATOM 0 HA3 GLY A 128 9.698 -18.659 1.042 1.00 44.20 H new ATOM 2201 N SER A 129 8.650 -20.117 -1.688 1.00 11.24 N ATOM 2202 CA SER A 129 7.475 -20.381 -2.510 1.00 32.14 C ATOM 2203 C SER A 129 7.253 -21.882 -2.674 1.00 45.44 C ATOM 2204 O SER A 129 8.069 -22.578 -3.279 1.00 51.20 O ATOM 2205 CB SER A 129 7.628 -19.723 -3.882 1.00 51.12 C ATOM 2206 OG SER A 129 8.362 -18.514 -3.789 1.00 71.32 O ATOM 0 H SER A 129 9.455 -20.706 -1.901 1.00 11.24 H new ATOM 0 HA SER A 129 6.607 -19.956 -2.007 1.00 32.14 H new ATOM 0 HB2 SER A 129 8.134 -20.408 -4.563 1.00 51.12 H new ATOM 0 HB3 SER A 129 6.643 -19.523 -4.305 1.00 51.12 H new ATOM 0 HG SER A 129 8.184 -17.961 -4.578 1.00 71.32 H new ATOM 2212 N SER A 130 6.144 -22.373 -2.132 1.00 0.24 N ATOM 2213 CA SER A 130 5.816 -23.791 -2.214 1.00 72.22 C ATOM 2214 C SER A 130 5.636 -24.223 -3.666 1.00 70.43 C ATOM 2215 O SER A 130 5.391 -25.395 -3.950 1.00 3.04 O ATOM 2216 CB SER A 130 4.542 -24.089 -1.420 1.00 44.32 C ATOM 2217 OG SER A 130 3.542 -23.119 -1.678 1.00 41.33 O ATOM 0 H SER A 130 5.457 -21.810 -1.631 1.00 0.24 H new ATOM 0 HA SER A 130 6.644 -24.355 -1.784 1.00 72.22 H new ATOM 0 HB2 SER A 130 4.169 -25.079 -1.683 1.00 44.32 H new ATOM 0 HB3 SER A 130 4.770 -24.107 -0.354 1.00 44.32 H new ATOM 0 HG SER A 130 2.738 -23.333 -1.160 1.00 41.33 H new TER 2223 SER A 130