USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1135 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0695 (180deg=-0.241) USER MOD Single : A 2 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.012) USER MOD Single : A 9 GLN : amide:sc= -0.122 K(o=-0.12,f=-2!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -105:sc= 1.21 USER MOD Single : A 20 LYS NZ :NH3+ 149:sc= -0.172 (180deg=-1.4!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0596 USER MOD Single : A 30 MET CE :methyl 152:sc= 0 (180deg=-0.527) USER MOD Single : A 31 MET CE :methyl 168:sc= -4.39 (180deg=-5.37!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -103:sc= 0 (180deg=-0.549) USER MOD Single : A 38 MET CE :methyl -176:sc= -3.53! (180deg=-3.63!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -103:sc= -0.191 (180deg=-1.39) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.243 (180deg=-0.685) USER MOD Single : A 46 SER OG : rot -16:sc= 0.147 USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= -0.0222 (180deg=-0.207) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 0.913 (180deg=0.888) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 53 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.19) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.23) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc=-0.00995 F(o=-0.63,f=-0.01) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -125:sc= -0.0101 (180deg=-0.734) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0733 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.88! USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -2.9! C(o=-2.9!,f=-3!) USER MOD Single : A 100 SER OG : rot -130:sc= -0.492 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 CYS SG : rot 75:sc= -0.98 USER MOD Single : A 110 HIS : no HD1:sc= -0.0364 X(o=-0.036,f=-0.036) USER MOD Single : A 119 CYS SG : rot 52:sc= 0.204 USER MOD Single : A 123 THR OG1 : rot -31:sc= 0.22 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot -70:sc= -0.295 USER MOD Single : A 129 SER OG : rot 180:sc= -0.0858 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.759 -0.041 -6.321 1.00 25.24 N ATOM 2 CA MET A 1 1.103 -1.162 -5.656 1.00 45.53 C ATOM 3 C MET A 1 1.765 -1.461 -4.315 1.00 21.31 C ATOM 4 O MET A 1 1.707 -2.587 -3.822 1.00 2.33 O ATOM 5 CB MET A 1 1.143 -2.405 -6.547 1.00 5.30 C ATOM 6 CG MET A 1 -0.008 -2.481 -7.536 1.00 52.22 C ATOM 7 SD MET A 1 -1.483 -3.240 -6.829 1.00 24.04 S ATOM 8 CE MET A 1 -2.284 -3.862 -8.304 1.00 75.34 C ATOM 0 H1 MET A 1 1.433 0.017 -7.307 1.00 25.24 H new ATOM 0 H2 MET A 1 1.523 0.843 -5.826 1.00 25.24 H new ATOM 0 H3 MET A 1 2.789 -0.182 -6.305 1.00 25.24 H new ATOM 0 HA MET A 1 0.064 -0.888 -5.475 1.00 45.53 H new ATOM 0 HB2 MET A 1 2.084 -2.418 -7.096 1.00 5.30 H new ATOM 0 HB3 MET A 1 1.129 -3.294 -5.917 1.00 5.30 H new ATOM 0 HG2 MET A 1 -0.251 -1.476 -7.882 1.00 52.22 H new ATOM 0 HG3 MET A 1 0.306 -3.052 -8.410 1.00 52.22 H new ATOM 0 HE1 MET A 1 -3.214 -4.360 -8.030 1.00 75.34 H new ATOM 0 HE2 MET A 1 -2.501 -3.033 -8.977 1.00 75.34 H new ATOM 0 HE3 MET A 1 -1.625 -4.572 -8.804 1.00 75.34 H new ATOM 18 N ASN A 2 2.394 -0.447 -3.730 1.00 54.42 N ATOM 19 CA ASN A 2 3.067 -0.603 -2.446 1.00 40.51 C ATOM 20 C ASN A 2 4.163 -1.660 -2.532 1.00 5.03 C ATOM 21 O ASN A 2 4.278 -2.522 -1.660 1.00 61.02 O ATOM 22 CB ASN A 2 2.058 -0.984 -1.361 1.00 24.32 C ATOM 23 CG ASN A 2 0.782 -0.170 -1.446 1.00 34.40 C ATOM 24 OD1 ASN A 2 0.779 1.031 -1.179 1.00 45.41 O ATOM 25 ND2 ASN A 2 -0.313 -0.824 -1.819 1.00 45.23 N ATOM 0 H ASN A 2 2.452 0.492 -4.125 1.00 54.42 H new ATOM 0 HA ASN A 2 3.527 0.351 -2.186 1.00 40.51 H new ATOM 0 HB2 ASN A 2 1.816 -2.043 -1.449 1.00 24.32 H new ATOM 0 HB3 ASN A 2 2.512 -0.841 -0.380 1.00 24.32 H new ATOM 0 HD21 ASN A 2 -1.202 -0.329 -1.893 1.00 45.23 H new ATOM 0 HD22 ASN A 2 -0.264 -1.821 -2.031 1.00 45.23 H new ATOM 32 N ASP A 3 4.967 -1.587 -3.587 1.00 0.21 N ATOM 33 CA ASP A 3 6.056 -2.536 -3.786 1.00 72.32 C ATOM 34 C ASP A 3 6.995 -2.546 -2.584 1.00 45.45 C ATOM 35 O ASP A 3 7.674 -1.556 -2.308 1.00 23.34 O ATOM 36 CB ASP A 3 6.835 -2.192 -5.056 1.00 43.12 C ATOM 37 CG ASP A 3 5.927 -1.793 -6.203 1.00 2.44 C ATOM 38 OD1 ASP A 3 4.937 -2.512 -6.454 1.00 45.22 O ATOM 39 OD2 ASP A 3 6.206 -0.760 -6.848 1.00 35.34 O ATOM 0 H ASP A 3 4.885 -0.880 -4.318 1.00 0.21 H new ATOM 0 HA ASP A 3 5.623 -3.531 -3.893 1.00 72.32 H new ATOM 0 HB2 ASP A 3 7.527 -1.377 -4.844 1.00 43.12 H new ATOM 0 HB3 ASP A 3 7.436 -3.051 -5.354 1.00 43.12 H new ATOM 44 N ILE A 4 7.028 -3.668 -1.874 1.00 64.13 N ATOM 45 CA ILE A 4 7.885 -3.805 -0.703 1.00 35.43 C ATOM 46 C ILE A 4 8.885 -4.942 -0.883 1.00 71.10 C ATOM 47 O ILE A 4 8.662 -5.860 -1.673 1.00 14.40 O ATOM 48 CB ILE A 4 7.058 -4.061 0.572 1.00 62.14 C ATOM 49 CG1 ILE A 4 5.811 -4.883 0.240 1.00 31.04 C ATOM 50 CG2 ILE A 4 6.672 -2.743 1.226 1.00 43.00 C ATOM 51 CD1 ILE A 4 6.121 -6.233 -0.367 1.00 73.21 C ATOM 0 H ILE A 4 6.471 -4.495 -2.089 1.00 64.13 H new ATOM 0 HA ILE A 4 8.424 -2.864 -0.595 1.00 35.43 H new ATOM 0 HB ILE A 4 7.667 -4.628 1.276 1.00 62.14 H new ATOM 0 HG12 ILE A 4 5.228 -5.028 1.150 1.00 31.04 H new ATOM 0 HG13 ILE A 4 5.187 -4.317 -0.452 1.00 31.04 H new ATOM 0 HG21 ILE A 4 6.088 -2.940 2.125 1.00 43.00 H new ATOM 0 HG22 ILE A 4 7.573 -2.191 1.492 1.00 43.00 H new ATOM 0 HG23 ILE A 4 6.077 -2.152 0.530 1.00 43.00 H new ATOM 0 HD11 ILE A 4 5.190 -6.760 -0.576 1.00 73.21 H new ATOM 0 HD12 ILE A 4 6.677 -6.096 -1.294 1.00 73.21 H new ATOM 0 HD13 ILE A 4 6.720 -6.817 0.332 1.00 73.21 H new ATOM 63 N ARG A 5 9.987 -4.875 -0.144 1.00 25.50 N ATOM 64 CA ARG A 5 11.022 -5.899 -0.222 1.00 23.54 C ATOM 65 C ARG A 5 10.442 -7.282 0.062 1.00 12.34 C ATOM 66 O ARG A 5 9.346 -7.405 0.611 1.00 41.34 O ATOM 67 CB ARG A 5 12.147 -5.594 0.769 1.00 45.23 C ATOM 68 CG ARG A 5 13.118 -4.532 0.279 1.00 65.13 C ATOM 69 CD ARG A 5 12.447 -3.173 0.165 1.00 13.52 C ATOM 70 NE ARG A 5 11.739 -2.808 1.390 1.00 44.42 N ATOM 71 CZ ARG A 5 10.856 -1.819 1.461 1.00 15.40 C ATOM 72 NH1 ARG A 5 10.572 -1.100 0.384 1.00 53.13 N ATOM 73 NH2 ARG A 5 10.253 -1.547 2.612 1.00 61.22 N ATOM 0 H ARG A 5 10.186 -4.123 0.515 1.00 25.50 H new ATOM 0 HA ARG A 5 11.426 -5.894 -1.234 1.00 23.54 H new ATOM 0 HB2 ARG A 5 11.710 -5.267 1.713 1.00 45.23 H new ATOM 0 HB3 ARG A 5 12.698 -6.512 0.974 1.00 45.23 H new ATOM 0 HG2 ARG A 5 13.962 -4.465 0.965 1.00 65.13 H new ATOM 0 HG3 ARG A 5 13.518 -4.824 -0.692 1.00 65.13 H new ATOM 0 HD2 ARG A 5 13.198 -2.415 -0.059 1.00 13.52 H new ATOM 0 HD3 ARG A 5 11.746 -3.184 -0.670 1.00 13.52 H new ATOM 0 HE ARG A 5 11.934 -3.342 2.237 1.00 44.42 H new ATOM 0 HH11 ARG A 5 11.032 -1.306 -0.503 1.00 53.13 H new ATOM 0 HH12 ARG A 5 9.893 -0.341 0.442 1.00 53.13 H new ATOM 0 HH21 ARG A 5 10.468 -2.098 3.443 1.00 61.22 H new ATOM 0 HH22 ARG A 5 9.575 -0.787 2.665 1.00 61.22 H new ATOM 87 N ILE A 6 11.183 -8.318 -0.315 1.00 1.13 N ATOM 88 CA ILE A 6 10.742 -9.691 -0.100 1.00 1.51 C ATOM 89 C ILE A 6 11.686 -10.430 0.843 1.00 54.04 C ATOM 90 O ILE A 6 11.312 -11.432 1.453 1.00 52.23 O ATOM 91 CB ILE A 6 10.649 -10.466 -1.427 1.00 53.03 C ATOM 92 CG1 ILE A 6 11.759 -10.022 -2.382 1.00 23.44 C ATOM 93 CG2 ILE A 6 9.282 -10.262 -2.065 1.00 24.23 C ATOM 94 CD1 ILE A 6 11.383 -8.832 -3.235 1.00 53.32 C ATOM 0 H ILE A 6 12.092 -8.233 -0.771 1.00 1.13 H new ATOM 0 HA ILE A 6 9.751 -9.638 0.350 1.00 1.51 H new ATOM 0 HB ILE A 6 10.777 -11.528 -1.219 1.00 53.03 H new ATOM 0 HG12 ILE A 6 12.649 -9.776 -1.802 1.00 23.44 H new ATOM 0 HG13 ILE A 6 12.022 -10.856 -3.032 1.00 23.44 H new ATOM 0 HG21 ILE A 6 9.232 -10.816 -3.002 1.00 24.23 H new ATOM 0 HG22 ILE A 6 8.507 -10.622 -1.388 1.00 24.23 H new ATOM 0 HG23 ILE A 6 9.127 -9.201 -2.262 1.00 24.23 H new ATOM 0 HD11 ILE A 6 12.217 -8.573 -3.887 1.00 53.32 H new ATOM 0 HD12 ILE A 6 10.512 -9.080 -3.842 1.00 53.32 H new ATOM 0 HD13 ILE A 6 11.148 -7.983 -2.592 1.00 53.32 H new ATOM 106 N VAL A 7 12.911 -9.928 0.958 1.00 21.22 N ATOM 107 CA VAL A 7 13.908 -10.539 1.829 1.00 63.00 C ATOM 108 C VAL A 7 14.931 -9.511 2.300 1.00 52.35 C ATOM 109 O VAL A 7 15.882 -9.176 1.593 1.00 55.53 O ATOM 110 CB VAL A 7 14.644 -11.690 1.118 1.00 22.43 C ATOM 111 CG1 VAL A 7 13.731 -12.898 0.972 1.00 22.21 C ATOM 112 CG2 VAL A 7 15.161 -11.235 -0.238 1.00 71.11 C ATOM 0 H VAL A 7 13.237 -9.100 0.459 1.00 21.22 H new ATOM 0 HA VAL A 7 13.373 -10.937 2.692 1.00 63.00 H new ATOM 0 HB VAL A 7 15.499 -11.982 1.727 1.00 22.43 H new ATOM 0 HG11 VAL A 7 14.268 -13.701 0.467 1.00 22.21 H new ATOM 0 HG12 VAL A 7 13.415 -13.237 1.959 1.00 22.21 H new ATOM 0 HG13 VAL A 7 12.855 -12.623 0.385 1.00 22.21 H new ATOM 0 HG21 VAL A 7 15.678 -12.061 -0.726 1.00 71.11 H new ATOM 0 HG22 VAL A 7 14.324 -10.914 -0.858 1.00 71.11 H new ATOM 0 HG23 VAL A 7 15.852 -10.403 -0.103 1.00 71.11 H new ATOM 122 N PRO A 8 14.733 -8.997 3.523 1.00 44.03 N ATOM 123 CA PRO A 8 15.629 -8.000 4.116 1.00 12.43 C ATOM 124 C PRO A 8 16.991 -8.584 4.475 1.00 50.35 C ATOM 125 O PRO A 8 17.197 -9.794 4.394 1.00 63.24 O ATOM 126 CB PRO A 8 14.885 -7.563 5.381 1.00 72.11 C ATOM 127 CG PRO A 8 14.016 -8.722 5.728 1.00 20.35 C ATOM 128 CD PRO A 8 13.621 -9.351 4.421 1.00 41.44 C ATOM 0 HA PRO A 8 15.843 -7.184 3.426 1.00 12.43 H new ATOM 0 HB2 PRO A 8 15.579 -7.333 6.189 1.00 72.11 H new ATOM 0 HB3 PRO A 8 14.294 -6.665 5.203 1.00 72.11 H new ATOM 0 HG2 PRO A 8 14.549 -9.434 6.358 1.00 20.35 H new ATOM 0 HG3 PRO A 8 13.138 -8.398 6.286 1.00 20.35 H new ATOM 0 HD2 PRO A 8 13.507 -10.431 4.513 1.00 41.44 H new ATOM 0 HD3 PRO A 8 12.671 -8.960 4.058 1.00 41.44 H new ATOM 136 N GLN A 9 17.916 -7.716 4.871 1.00 43.34 N ATOM 137 CA GLN A 9 19.259 -8.147 5.241 1.00 60.12 C ATOM 138 C GLN A 9 19.254 -8.833 6.603 1.00 62.10 C ATOM 139 O GLN A 9 18.289 -8.725 7.360 1.00 52.33 O ATOM 140 CB GLN A 9 20.214 -6.952 5.262 1.00 72.23 C ATOM 141 CG GLN A 9 19.829 -5.883 6.272 1.00 73.34 C ATOM 142 CD GLN A 9 20.290 -4.499 5.861 1.00 42.01 C ATOM 143 OE1 GLN A 9 20.896 -4.322 4.804 1.00 63.34 O ATOM 144 NE2 GLN A 9 20.005 -3.507 6.697 1.00 62.33 N ATOM 0 H GLN A 9 17.760 -6.711 4.944 1.00 43.34 H new ATOM 0 HA GLN A 9 19.602 -8.863 4.495 1.00 60.12 H new ATOM 0 HB2 GLN A 9 21.220 -7.306 5.486 1.00 72.23 H new ATOM 0 HB3 GLN A 9 20.247 -6.506 4.268 1.00 72.23 H new ATOM 0 HG2 GLN A 9 18.746 -5.879 6.396 1.00 73.34 H new ATOM 0 HG3 GLN A 9 20.260 -6.132 7.242 1.00 73.34 H new ATOM 0 HE21 GLN A 9 19.501 -3.699 7.563 1.00 62.33 H new ATOM 0 HE22 GLN A 9 20.290 -2.554 6.473 1.00 62.33 H new ATOM 153 N ILE A 10 20.338 -9.539 6.908 1.00 12.12 N ATOM 154 CA ILE A 10 20.458 -10.242 8.180 1.00 51.35 C ATOM 155 C ILE A 10 21.611 -9.686 9.008 1.00 1.21 C ATOM 156 O ILE A 10 22.768 -9.722 8.587 1.00 53.44 O ATOM 157 CB ILE A 10 20.673 -11.752 7.970 1.00 71.23 C ATOM 158 CG1 ILE A 10 21.743 -11.994 6.903 1.00 2.13 C ATOM 159 CG2 ILE A 10 19.365 -12.424 7.577 1.00 4.22 C ATOM 160 CD1 ILE A 10 22.090 -13.454 6.715 1.00 31.22 C ATOM 0 H ILE A 10 21.145 -9.639 6.292 1.00 12.12 H new ATOM 0 HA ILE A 10 19.521 -10.088 8.716 1.00 51.35 H new ATOM 0 HB ILE A 10 21.016 -12.188 8.908 1.00 71.23 H new ATOM 0 HG12 ILE A 10 21.396 -11.586 5.953 1.00 2.13 H new ATOM 0 HG13 ILE A 10 22.646 -11.447 7.175 1.00 2.13 H new ATOM 0 HG21 ILE A 10 19.533 -13.491 7.432 1.00 4.22 H new ATOM 0 HG22 ILE A 10 18.629 -12.277 8.367 1.00 4.22 H new ATOM 0 HG23 ILE A 10 18.995 -11.986 6.650 1.00 4.22 H new ATOM 0 HD11 ILE A 10 22.854 -13.550 5.944 1.00 31.22 H new ATOM 0 HD12 ILE A 10 22.467 -13.862 7.653 1.00 31.22 H new ATOM 0 HD13 ILE A 10 21.199 -14.004 6.413 1.00 31.22 H new ATOM 172 N THR A 11 21.289 -9.173 10.192 1.00 51.24 N ATOM 173 CA THR A 11 22.297 -8.610 11.081 1.00 42.23 C ATOM 174 C THR A 11 22.893 -9.682 11.985 1.00 21.33 C ATOM 175 O THR A 11 22.704 -10.877 11.755 1.00 4.13 O ATOM 176 CB THR A 11 21.711 -7.485 11.955 1.00 73.05 C ATOM 177 OG1 THR A 11 20.427 -7.094 11.454 1.00 63.33 O ATOM 178 CG2 THR A 11 22.639 -6.280 11.980 1.00 31.15 C ATOM 0 H THR A 11 20.337 -9.136 10.557 1.00 51.24 H new ATOM 0 HA THR A 11 23.081 -8.196 10.447 1.00 42.23 H new ATOM 0 HB THR A 11 21.605 -7.863 12.972 1.00 73.05 H new ATOM 0 HG1 THR A 11 20.060 -6.380 12.016 1.00 63.33 H new ATOM 0 HG21 THR A 11 22.204 -5.499 12.603 1.00 31.15 H new ATOM 0 HG22 THR A 11 23.606 -6.574 12.388 1.00 31.15 H new ATOM 0 HG23 THR A 11 22.773 -5.903 10.966 1.00 31.15 H new ATOM 186 N ASP A 12 23.612 -9.249 13.015 1.00 42.44 N ATOM 187 CA ASP A 12 24.235 -10.172 13.956 1.00 73.53 C ATOM 188 C ASP A 12 23.179 -10.984 14.700 1.00 73.15 C ATOM 189 O ASP A 12 23.471 -12.046 15.247 1.00 63.51 O ATOM 190 CB ASP A 12 25.105 -9.408 14.954 1.00 12.43 C ATOM 191 CG ASP A 12 26.523 -9.941 15.014 1.00 52.43 C ATOM 192 OD1 ASP A 12 26.689 -11.176 15.087 1.00 3.22 O ATOM 193 OD2 ASP A 12 27.466 -9.122 14.988 1.00 62.34 O ATOM 0 H ASP A 12 23.778 -8.264 13.219 1.00 42.44 H new ATOM 0 HA ASP A 12 24.864 -10.859 13.390 1.00 73.53 H new ATOM 0 HB2 ASP A 12 25.128 -8.354 14.679 1.00 12.43 H new ATOM 0 HB3 ASP A 12 24.655 -9.469 15.945 1.00 12.43 H new ATOM 198 N GLU A 13 21.951 -10.475 14.715 1.00 12.13 N ATOM 199 CA GLU A 13 20.852 -11.152 15.394 1.00 62.41 C ATOM 200 C GLU A 13 20.296 -12.283 14.533 1.00 13.03 C ATOM 201 O GLU A 13 19.796 -13.281 15.051 1.00 74.25 O ATOM 202 CB GLU A 13 19.740 -10.157 15.730 1.00 74.22 C ATOM 203 CG GLU A 13 20.241 -8.883 16.388 1.00 41.32 C ATOM 204 CD GLU A 13 19.115 -7.944 16.775 1.00 50.34 C ATOM 205 OE1 GLU A 13 17.990 -8.124 16.262 1.00 65.21 O ATOM 206 OE2 GLU A 13 19.358 -7.029 17.589 1.00 52.10 O ATOM 0 H GLU A 13 21.692 -9.597 14.265 1.00 12.13 H new ATOM 0 HA GLU A 13 21.238 -11.579 16.320 1.00 62.41 H new ATOM 0 HB2 GLU A 13 19.207 -9.898 14.815 1.00 74.22 H new ATOM 0 HB3 GLU A 13 19.021 -10.639 16.392 1.00 74.22 H new ATOM 0 HG2 GLU A 13 20.816 -9.140 17.277 1.00 41.32 H new ATOM 0 HG3 GLU A 13 20.919 -8.369 15.707 1.00 41.32 H new ATOM 213 N GLU A 14 20.386 -12.117 13.217 1.00 4.05 N ATOM 214 CA GLU A 14 19.891 -13.123 12.285 1.00 13.24 C ATOM 215 C GLU A 14 21.017 -14.048 11.834 1.00 32.52 C ATOM 216 O GLU A 14 20.797 -15.232 11.575 1.00 13.13 O ATOM 217 CB GLU A 14 19.250 -12.451 11.069 1.00 34.11 C ATOM 218 CG GLU A 14 18.102 -11.520 11.422 1.00 32.34 C ATOM 219 CD GLU A 14 16.918 -12.255 12.022 1.00 44.31 C ATOM 220 OE1 GLU A 14 16.052 -12.713 11.248 1.00 14.12 O ATOM 221 OE2 GLU A 14 16.859 -12.371 13.264 1.00 73.24 O ATOM 0 H GLU A 14 20.797 -11.296 12.773 1.00 4.05 H new ATOM 0 HA GLU A 14 19.139 -13.720 12.800 1.00 13.24 H new ATOM 0 HB2 GLU A 14 20.013 -11.886 10.533 1.00 34.11 H new ATOM 0 HB3 GLU A 14 18.886 -13.221 10.389 1.00 34.11 H new ATOM 0 HG2 GLU A 14 18.453 -10.767 12.128 1.00 32.34 H new ATOM 0 HG3 GLU A 14 17.780 -10.990 10.525 1.00 32.34 H new ATOM 228 N PHE A 15 22.224 -13.501 11.742 1.00 51.53 N ATOM 229 CA PHE A 15 23.385 -14.276 11.320 1.00 1.43 C ATOM 230 C PHE A 15 23.814 -15.251 12.413 1.00 54.12 C ATOM 231 O PHE A 15 24.231 -16.374 12.130 1.00 5.10 O ATOM 232 CB PHE A 15 24.547 -13.344 10.969 1.00 54.33 C ATOM 233 CG PHE A 15 25.875 -14.041 10.899 1.00 31.22 C ATOM 234 CD1 PHE A 15 26.643 -14.213 12.040 1.00 75.22 C ATOM 235 CD2 PHE A 15 26.356 -14.525 9.693 1.00 2.41 C ATOM 236 CE1 PHE A 15 27.865 -14.855 11.979 1.00 3.05 C ATOM 237 CE2 PHE A 15 27.578 -15.168 9.627 1.00 52.52 C ATOM 238 CZ PHE A 15 28.334 -15.332 10.771 1.00 12.20 C ATOM 0 H PHE A 15 22.424 -12.524 11.954 1.00 51.53 H new ATOM 0 HA PHE A 15 23.106 -14.848 10.435 1.00 1.43 H new ATOM 0 HB2 PHE A 15 24.344 -12.869 10.009 1.00 54.33 H new ATOM 0 HB3 PHE A 15 24.602 -12.549 11.713 1.00 54.33 H new ATOM 0 HD1 PHE A 15 26.282 -13.841 12.988 1.00 75.22 H new ATOM 0 HD2 PHE A 15 25.770 -14.399 8.795 1.00 2.41 H new ATOM 0 HE1 PHE A 15 28.453 -14.984 12.876 1.00 3.05 H new ATOM 0 HE2 PHE A 15 27.941 -15.542 8.681 1.00 52.52 H new ATOM 0 HZ PHE A 15 29.290 -15.832 10.721 1.00 12.20 H new ATOM 248 N LYS A 16 23.707 -14.813 13.663 1.00 64.31 N ATOM 249 CA LYS A 16 24.082 -15.646 14.800 1.00 44.41 C ATOM 250 C LYS A 16 23.133 -16.830 14.944 1.00 75.43 C ATOM 251 O LYS A 16 23.388 -17.755 15.716 1.00 64.12 O ATOM 252 CB LYS A 16 24.081 -14.818 16.087 1.00 54.31 C ATOM 253 CG LYS A 16 22.688 -14.478 16.590 1.00 62.50 C ATOM 254 CD LYS A 16 22.225 -15.459 17.654 1.00 24.42 C ATOM 255 CE LYS A 16 21.254 -14.809 18.627 1.00 5.35 C ATOM 256 NZ LYS A 16 20.334 -15.805 19.242 1.00 71.00 N ATOM 0 H LYS A 16 23.364 -13.886 13.914 1.00 64.31 H new ATOM 0 HA LYS A 16 25.087 -16.029 14.622 1.00 44.41 H new ATOM 0 HB2 LYS A 16 24.614 -15.367 16.863 1.00 54.31 H new ATOM 0 HB3 LYS A 16 24.632 -13.893 15.915 1.00 54.31 H new ATOM 0 HG2 LYS A 16 22.684 -13.468 16.999 1.00 62.50 H new ATOM 0 HG3 LYS A 16 21.987 -14.487 15.756 1.00 62.50 H new ATOM 0 HD2 LYS A 16 21.746 -16.315 17.178 1.00 24.42 H new ATOM 0 HD3 LYS A 16 23.088 -15.840 18.200 1.00 24.42 H new ATOM 0 HE2 LYS A 16 21.813 -14.299 19.411 1.00 5.35 H new ATOM 0 HE3 LYS A 16 20.671 -14.050 18.105 1.00 5.35 H new ATOM 0 HZ1 LYS A 16 19.688 -15.322 19.899 1.00 71.00 H new ATOM 0 HZ2 LYS A 16 19.782 -16.274 18.496 1.00 71.00 H new ATOM 0 HZ3 LYS A 16 20.888 -16.515 19.761 1.00 71.00 H new ATOM 270 N THR A 17 22.035 -16.798 14.194 1.00 11.42 N ATOM 271 CA THR A 17 21.047 -17.868 14.238 1.00 22.41 C ATOM 272 C THR A 17 21.524 -19.089 13.459 1.00 42.41 C ATOM 273 O THR A 17 20.913 -20.155 13.523 1.00 74.50 O ATOM 274 CB THR A 17 19.693 -17.407 13.668 1.00 14.23 C ATOM 275 OG1 THR A 17 19.717 -17.466 12.238 1.00 71.32 O ATOM 276 CG2 THR A 17 19.372 -15.989 14.117 1.00 53.04 C ATOM 0 H THR A 17 21.808 -16.041 13.549 1.00 11.42 H new ATOM 0 HA THR A 17 20.919 -18.136 15.287 1.00 22.41 H new ATOM 0 HB THR A 17 18.919 -18.075 14.045 1.00 14.23 H new ATOM 0 HG1 THR A 17 19.791 -16.559 11.874 1.00 71.32 H new ATOM 0 HG21 THR A 17 18.411 -15.685 13.702 1.00 53.04 H new ATOM 0 HG22 THR A 17 19.325 -15.954 15.205 1.00 53.04 H new ATOM 0 HG23 THR A 17 20.150 -15.311 13.765 1.00 53.04 H new ATOM 284 N ILE A 18 22.619 -18.925 12.724 1.00 2.24 N ATOM 285 CA ILE A 18 23.179 -20.014 11.934 1.00 34.53 C ATOM 286 C ILE A 18 24.457 -20.553 12.568 1.00 35.43 C ATOM 287 O ILE A 18 25.374 -19.806 12.907 1.00 1.21 O ATOM 288 CB ILE A 18 23.484 -19.566 10.493 1.00 53.11 C ATOM 289 CG1 ILE A 18 22.198 -19.125 9.790 1.00 61.31 C ATOM 290 CG2 ILE A 18 24.158 -20.689 9.720 1.00 21.41 C ATOM 291 CD1 ILE A 18 22.156 -17.645 9.479 1.00 21.51 C ATOM 0 H ILE A 18 23.136 -18.048 12.659 1.00 2.24 H new ATOM 0 HA ILE A 18 22.428 -20.803 11.909 1.00 34.53 H new ATOM 0 HB ILE A 18 24.166 -18.717 10.529 1.00 53.11 H new ATOM 0 HG12 ILE A 18 22.090 -19.686 8.862 1.00 61.31 H new ATOM 0 HG13 ILE A 18 21.344 -19.380 10.418 1.00 61.31 H new ATOM 0 HG21 ILE A 18 24.367 -20.356 8.703 1.00 21.41 H new ATOM 0 HG22 ILE A 18 25.092 -20.960 10.212 1.00 21.41 H new ATOM 0 HG23 ILE A 18 23.499 -21.557 9.690 1.00 21.41 H new ATOM 0 HD11 ILE A 18 21.217 -17.404 8.981 1.00 21.51 H new ATOM 0 HD12 ILE A 18 22.232 -17.076 10.406 1.00 21.51 H new ATOM 0 HD13 ILE A 18 22.989 -17.387 8.825 1.00 21.51 H new ATOM 303 N PRO A 19 24.521 -21.883 12.732 1.00 74.22 N ATOM 304 CA PRO A 19 25.683 -22.553 13.324 1.00 55.14 C ATOM 305 C PRO A 19 26.904 -22.508 12.412 1.00 3.43 C ATOM 306 O PRO A 19 26.779 -22.525 11.188 1.00 64.45 O ATOM 307 CB PRO A 19 25.205 -23.996 13.507 1.00 42.33 C ATOM 308 CG PRO A 19 24.136 -24.174 12.484 1.00 4.33 C ATOM 309 CD PRO A 19 23.464 -22.835 12.351 1.00 71.42 C ATOM 0 HA PRO A 19 26.002 -22.075 14.250 1.00 55.14 H new ATOM 0 HB2 PRO A 19 26.019 -24.705 13.356 1.00 42.33 H new ATOM 0 HB3 PRO A 19 24.821 -24.161 14.514 1.00 42.33 H new ATOM 0 HG2 PRO A 19 24.557 -24.496 11.531 1.00 4.33 H new ATOM 0 HG3 PRO A 19 23.424 -24.939 12.793 1.00 4.33 H new ATOM 0 HD2 PRO A 19 23.114 -22.661 11.334 1.00 71.42 H new ATOM 0 HD3 PRO A 19 22.596 -22.754 13.005 1.00 71.42 H new ATOM 317 N LYS A 20 28.086 -22.449 13.017 1.00 31.31 N ATOM 318 CA LYS A 20 29.332 -22.403 12.261 1.00 74.33 C ATOM 319 C LYS A 20 29.436 -23.593 11.312 1.00 64.10 C ATOM 320 O LYS A 20 30.141 -23.535 10.304 1.00 72.22 O ATOM 321 CB LYS A 20 30.530 -22.389 13.212 1.00 31.35 C ATOM 322 CG LYS A 20 30.544 -21.199 14.155 1.00 12.44 C ATOM 323 CD LYS A 20 31.832 -21.138 14.958 1.00 24.24 C ATOM 324 CE LYS A 20 31.714 -21.915 16.261 1.00 44.31 C ATOM 325 NZ LYS A 20 31.812 -23.384 16.041 1.00 33.43 N ATOM 0 H LYS A 20 28.207 -22.432 14.030 1.00 31.31 H new ATOM 0 HA LYS A 20 29.336 -21.487 11.670 1.00 74.33 H new ATOM 0 HB2 LYS A 20 30.528 -23.307 13.799 1.00 31.35 H new ATOM 0 HB3 LYS A 20 31.449 -22.388 12.626 1.00 31.35 H new ATOM 0 HG2 LYS A 20 30.427 -20.279 13.583 1.00 12.44 H new ATOM 0 HG3 LYS A 20 29.694 -21.262 14.834 1.00 12.44 H new ATOM 0 HD2 LYS A 20 32.652 -21.543 14.364 1.00 24.24 H new ATOM 0 HD3 LYS A 20 32.078 -20.098 15.174 1.00 24.24 H new ATOM 0 HE2 LYS A 20 32.500 -21.597 16.946 1.00 44.31 H new ATOM 0 HE3 LYS A 20 30.762 -21.682 16.738 1.00 44.31 H new ATOM 0 HZ1 LYS A 20 32.243 -23.832 16.875 1.00 33.43 H new ATOM 0 HZ2 LYS A 20 30.861 -23.777 15.890 1.00 33.43 H new ATOM 0 HZ3 LYS A 20 32.401 -23.571 15.204 1.00 33.43 H new ATOM 339 N TYR A 21 28.731 -24.669 11.640 1.00 32.54 N ATOM 340 CA TYR A 21 28.746 -25.873 10.818 1.00 75.23 C ATOM 341 C TYR A 21 28.172 -25.593 9.432 1.00 31.21 C ATOM 342 O TYR A 21 28.430 -26.331 8.482 1.00 50.15 O ATOM 343 CB TYR A 21 27.949 -26.989 11.496 1.00 60.34 C ATOM 344 CG TYR A 21 28.394 -27.277 12.912 1.00 41.32 C ATOM 345 CD1 TYR A 21 29.687 -27.709 13.180 1.00 2.31 C ATOM 346 CD2 TYR A 21 27.522 -27.117 13.981 1.00 33.22 C ATOM 347 CE1 TYR A 21 30.098 -27.973 14.472 1.00 23.13 C ATOM 348 CE2 TYR A 21 27.924 -27.378 15.277 1.00 45.24 C ATOM 349 CZ TYR A 21 29.214 -27.806 15.517 1.00 15.31 C ATOM 350 OH TYR A 21 29.618 -28.068 16.806 1.00 42.21 O ATOM 0 H TYR A 21 28.141 -24.733 12.470 1.00 32.54 H new ATOM 0 HA TYR A 21 29.782 -26.192 10.705 1.00 75.23 H new ATOM 0 HB2 TYR A 21 26.894 -26.717 11.504 1.00 60.34 H new ATOM 0 HB3 TYR A 21 28.039 -27.900 10.904 1.00 60.34 H new ATOM 0 HD1 TYR A 21 30.383 -27.841 12.364 1.00 2.31 H new ATOM 0 HD2 TYR A 21 26.512 -26.783 13.796 1.00 33.22 H new ATOM 0 HE1 TYR A 21 31.107 -28.309 14.663 1.00 23.13 H new ATOM 0 HE2 TYR A 21 27.233 -27.248 16.097 1.00 45.24 H new ATOM 0 HH TYR A 21 28.875 -27.899 17.422 1.00 42.21 H new ATOM 360 N GLN A 22 27.393 -24.521 9.327 1.00 71.41 N ATOM 361 CA GLN A 22 26.782 -24.143 8.058 1.00 22.11 C ATOM 362 C GLN A 22 27.542 -22.990 7.410 1.00 24.43 C ATOM 363 O GLN A 22 27.714 -22.953 6.191 1.00 21.41 O ATOM 364 CB GLN A 22 25.319 -23.750 8.269 1.00 1.13 C ATOM 365 CG GLN A 22 24.496 -24.820 8.968 1.00 23.12 C ATOM 366 CD GLN A 22 24.028 -25.907 8.021 1.00 35.12 C ATOM 367 OE1 GLN A 22 24.834 -26.655 7.468 1.00 23.23 O ATOM 368 NE2 GLN A 22 22.717 -26.000 7.829 1.00 31.50 N ATOM 0 H GLN A 22 27.170 -23.900 10.105 1.00 71.41 H new ATOM 0 HA GLN A 22 26.827 -25.004 7.391 1.00 22.11 H new ATOM 0 HB2 GLN A 22 25.279 -22.832 8.855 1.00 1.13 H new ATOM 0 HB3 GLN A 22 24.867 -23.530 7.302 1.00 1.13 H new ATOM 0 HG2 GLN A 22 25.091 -25.268 9.764 1.00 23.12 H new ATOM 0 HG3 GLN A 22 23.630 -24.356 9.440 1.00 23.12 H new ATOM 0 HE21 GLN A 22 22.085 -25.359 8.308 1.00 31.50 H new ATOM 0 HE22 GLN A 22 22.343 -26.713 7.202 1.00 31.50 H new ATOM 377 N LEU A 23 27.995 -22.051 8.233 1.00 45.11 N ATOM 378 CA LEU A 23 28.738 -20.896 7.740 1.00 13.32 C ATOM 379 C LEU A 23 30.138 -21.300 7.291 1.00 4.53 C ATOM 380 O LEU A 23 30.546 -21.018 6.165 1.00 12.21 O ATOM 381 CB LEU A 23 28.828 -19.822 8.826 1.00 55.43 C ATOM 382 CG LEU A 23 27.545 -19.556 9.615 1.00 40.02 C ATOM 383 CD1 LEU A 23 27.852 -18.780 10.886 1.00 33.34 C ATOM 384 CD2 LEU A 23 26.538 -18.803 8.758 1.00 41.40 C ATOM 0 H LEU A 23 27.861 -22.066 9.244 1.00 45.11 H new ATOM 0 HA LEU A 23 28.204 -20.491 6.880 1.00 13.32 H new ATOM 0 HB2 LEU A 23 29.610 -20.109 9.529 1.00 55.43 H new ATOM 0 HB3 LEU A 23 29.145 -18.889 8.361 1.00 55.43 H new ATOM 0 HG LEU A 23 27.108 -20.514 9.895 1.00 40.02 H new ATOM 0 HD11 LEU A 23 26.927 -18.600 11.435 1.00 33.34 H new ATOM 0 HD12 LEU A 23 28.537 -19.357 11.508 1.00 33.34 H new ATOM 0 HD13 LEU A 23 28.312 -17.826 10.628 1.00 33.34 H new ATOM 0 HD21 LEU A 23 25.631 -18.623 9.336 1.00 41.40 H new ATOM 0 HD22 LEU A 23 26.966 -17.850 8.447 1.00 41.40 H new ATOM 0 HD23 LEU A 23 26.294 -19.396 7.877 1.00 41.40 H new ATOM 396 N GLY A 24 30.871 -21.964 8.180 1.00 10.23 N ATOM 397 CA GLY A 24 32.217 -22.398 7.856 1.00 3.32 C ATOM 398 C GLY A 24 33.152 -21.235 7.587 1.00 22.24 C ATOM 399 O GLY A 24 33.772 -20.703 8.508 1.00 1.32 O ATOM 0 H GLY A 24 30.556 -22.209 9.119 1.00 10.23 H new ATOM 0 HA2 GLY A 24 32.611 -22.994 8.679 1.00 3.32 H new ATOM 0 HA3 GLY A 24 32.186 -23.045 6.980 1.00 3.32 H new ATOM 403 N ARG A 25 33.256 -20.841 6.322 1.00 34.33 N ATOM 404 CA ARG A 25 34.124 -19.736 5.935 1.00 62.44 C ATOM 405 C ARG A 25 33.303 -18.529 5.491 1.00 60.34 C ATOM 406 O ARG A 25 33.773 -17.697 4.713 1.00 33.50 O ATOM 407 CB ARG A 25 35.064 -20.170 4.808 1.00 1.51 C ATOM 408 CG ARG A 25 36.271 -20.958 5.291 1.00 54.12 C ATOM 409 CD ARG A 25 35.887 -22.373 5.694 1.00 75.15 C ATOM 410 NE ARG A 25 37.057 -23.231 5.863 1.00 55.41 N ATOM 411 CZ ARG A 25 36.984 -24.540 6.072 1.00 74.41 C ATOM 412 NH1 ARG A 25 35.803 -25.140 6.136 1.00 31.14 N ATOM 413 NH2 ARG A 25 38.093 -25.253 6.216 1.00 25.23 N ATOM 0 H ARG A 25 32.750 -21.271 5.548 1.00 34.33 H new ATOM 0 HA ARG A 25 34.716 -19.450 6.804 1.00 62.44 H new ATOM 0 HB2 ARG A 25 34.506 -20.777 4.095 1.00 1.51 H new ATOM 0 HB3 ARG A 25 35.409 -19.285 4.273 1.00 1.51 H new ATOM 0 HG2 ARG A 25 37.023 -20.994 4.502 1.00 54.12 H new ATOM 0 HG3 ARG A 25 36.725 -20.447 6.140 1.00 54.12 H new ATOM 0 HD2 ARG A 25 35.321 -22.344 6.625 1.00 75.15 H new ATOM 0 HD3 ARG A 25 35.231 -22.800 4.936 1.00 75.15 H new ATOM 0 HE ARG A 25 37.981 -22.801 5.818 1.00 55.41 H new ATOM 0 HH11 ARG A 25 34.948 -24.596 6.025 1.00 31.14 H new ATOM 0 HH12 ARG A 25 35.750 -26.146 6.297 1.00 31.14 H new ATOM 0 HH21 ARG A 25 39.003 -24.796 6.166 1.00 25.23 H new ATOM 0 HH22 ARG A 25 38.036 -26.259 6.377 1.00 25.23 H new ATOM 427 N LEU A 26 32.075 -18.440 5.989 1.00 72.41 N ATOM 428 CA LEU A 26 31.187 -17.335 5.644 1.00 62.34 C ATOM 429 C LEU A 26 31.218 -16.255 6.720 1.00 24.10 C ATOM 430 O LEU A 26 31.728 -16.473 7.820 1.00 40.12 O ATOM 431 CB LEU A 26 29.757 -17.844 5.456 1.00 13.33 C ATOM 432 CG LEU A 26 29.302 -18.052 4.011 1.00 1.33 C ATOM 433 CD1 LEU A 26 28.287 -19.181 3.928 1.00 13.24 C ATOM 434 CD2 LEU A 26 28.719 -16.765 3.445 1.00 21.12 C ATOM 0 H LEU A 26 31.671 -19.120 6.633 1.00 72.41 H new ATOM 0 HA LEU A 26 31.537 -16.899 4.708 1.00 62.34 H new ATOM 0 HB2 LEU A 26 29.657 -18.791 5.987 1.00 13.33 H new ATOM 0 HB3 LEU A 26 29.076 -17.138 5.932 1.00 13.33 H new ATOM 0 HG LEU A 26 30.171 -18.328 3.413 1.00 1.33 H new ATOM 0 HD11 LEU A 26 27.975 -19.314 2.892 1.00 13.24 H new ATOM 0 HD12 LEU A 26 28.739 -20.104 4.292 1.00 13.24 H new ATOM 0 HD13 LEU A 26 27.419 -18.936 4.540 1.00 13.24 H new ATOM 0 HD21 LEU A 26 28.400 -16.932 2.416 1.00 21.12 H new ATOM 0 HD22 LEU A 26 27.862 -16.459 4.045 1.00 21.12 H new ATOM 0 HD23 LEU A 26 29.476 -15.981 3.468 1.00 21.12 H new ATOM 446 N THR A 27 30.668 -15.089 6.397 1.00 13.11 N ATOM 447 CA THR A 27 30.631 -13.975 7.336 1.00 43.20 C ATOM 448 C THR A 27 29.375 -13.133 7.142 1.00 45.24 C ATOM 449 O THR A 27 28.739 -13.183 6.088 1.00 11.22 O ATOM 450 CB THR A 27 31.870 -13.072 7.184 1.00 13.44 C ATOM 451 OG1 THR A 27 33.043 -13.874 7.011 1.00 1.04 O ATOM 452 CG2 THR A 27 32.038 -12.174 8.401 1.00 35.54 C ATOM 0 H THR A 27 30.242 -14.892 5.492 1.00 13.11 H new ATOM 0 HA THR A 27 30.624 -14.405 8.337 1.00 43.20 H new ATOM 0 HB THR A 27 31.728 -12.443 6.305 1.00 13.44 H new ATOM 0 HG1 THR A 27 33.826 -13.292 6.914 1.00 1.04 H new ATOM 0 HG21 THR A 27 32.919 -11.546 8.271 1.00 35.54 H new ATOM 0 HG22 THR A 27 31.156 -11.543 8.512 1.00 35.54 H new ATOM 0 HG23 THR A 27 32.159 -12.789 9.293 1.00 35.54 H new ATOM 460 N LEU A 28 29.024 -12.359 8.163 1.00 72.24 N ATOM 461 CA LEU A 28 27.843 -11.504 8.104 1.00 60.44 C ATOM 462 C LEU A 28 27.861 -10.636 6.850 1.00 63.45 C ATOM 463 O LEU A 28 26.839 -10.467 6.186 1.00 60.21 O ATOM 464 CB LEU A 28 27.767 -10.620 9.349 1.00 0.41 C ATOM 465 CG LEU A 28 26.416 -10.583 10.065 1.00 42.43 C ATOM 466 CD1 LEU A 28 26.607 -10.675 11.571 1.00 62.34 C ATOM 467 CD2 LEU A 28 25.653 -9.318 9.699 1.00 44.42 C ATOM 0 H LEU A 28 29.540 -12.306 9.041 1.00 72.24 H new ATOM 0 HA LEU A 28 26.962 -12.145 8.067 1.00 60.44 H new ATOM 0 HB2 LEU A 28 28.522 -10.960 10.058 1.00 0.41 H new ATOM 0 HB3 LEU A 28 28.033 -9.602 9.064 1.00 0.41 H new ATOM 0 HG LEU A 28 25.831 -11.443 9.740 1.00 42.43 H new ATOM 0 HD11 LEU A 28 25.635 -10.647 12.063 1.00 62.34 H new ATOM 0 HD12 LEU A 28 27.112 -11.609 11.817 1.00 62.34 H new ATOM 0 HD13 LEU A 28 27.211 -9.835 11.913 1.00 62.34 H new ATOM 0 HD21 LEU A 28 24.694 -9.309 10.217 1.00 44.42 H new ATOM 0 HD22 LEU A 28 26.234 -8.444 9.994 1.00 44.42 H new ATOM 0 HD23 LEU A 28 25.484 -9.294 8.623 1.00 44.42 H new ATOM 479 N GLU A 29 29.031 -10.091 6.531 1.00 52.43 N ATOM 480 CA GLU A 29 29.181 -9.241 5.355 1.00 24.20 C ATOM 481 C GLU A 29 28.847 -10.012 4.081 1.00 44.32 C ATOM 482 O GLU A 29 28.248 -9.468 3.154 1.00 62.15 O ATOM 483 CB GLU A 29 30.608 -8.693 5.274 1.00 73.24 C ATOM 484 CG GLU A 29 30.858 -7.826 4.051 1.00 14.24 C ATOM 485 CD GLU A 29 31.221 -6.399 4.413 1.00 13.33 C ATOM 486 OE1 GLU A 29 30.693 -5.891 5.425 1.00 31.43 O ATOM 487 OE2 GLU A 29 32.032 -5.789 3.685 1.00 34.32 O ATOM 0 H GLU A 29 29.887 -10.222 7.069 1.00 52.43 H new ATOM 0 HA GLU A 29 28.484 -8.408 5.448 1.00 24.20 H new ATOM 0 HB2 GLU A 29 30.816 -8.110 6.171 1.00 73.24 H new ATOM 0 HB3 GLU A 29 31.309 -9.528 5.267 1.00 73.24 H new ATOM 0 HG2 GLU A 29 31.662 -8.263 3.459 1.00 14.24 H new ATOM 0 HG3 GLU A 29 29.966 -7.822 3.424 1.00 14.24 H new ATOM 494 N MET A 30 29.240 -11.281 4.044 1.00 42.34 N ATOM 495 CA MET A 30 28.982 -12.126 2.884 1.00 62.51 C ATOM 496 C MET A 30 27.483 -12.293 2.655 1.00 3.12 C ATOM 497 O MET A 30 26.997 -12.143 1.535 1.00 71.43 O ATOM 498 CB MET A 30 29.637 -13.497 3.069 1.00 11.34 C ATOM 499 CG MET A 30 31.010 -13.606 2.427 1.00 4.15 C ATOM 500 SD MET A 30 32.133 -12.301 2.964 1.00 64.12 S ATOM 501 CE MET A 30 33.677 -12.870 2.255 1.00 32.31 C ATOM 0 H MET A 30 29.738 -11.746 4.803 1.00 42.34 H new ATOM 0 HA MET A 30 29.413 -11.640 2.009 1.00 62.51 H new ATOM 0 HB2 MET A 30 29.726 -13.707 4.135 1.00 11.34 H new ATOM 0 HB3 MET A 30 28.986 -14.262 2.646 1.00 11.34 H new ATOM 0 HG2 MET A 30 31.444 -14.576 2.669 1.00 4.15 H new ATOM 0 HG3 MET A 30 30.904 -13.566 1.343 1.00 4.15 H new ATOM 0 HE1 MET A 30 34.321 -12.015 2.052 1.00 32.31 H new ATOM 0 HE2 MET A 30 34.174 -13.540 2.956 1.00 32.31 H new ATOM 0 HE3 MET A 30 33.476 -13.402 1.325 1.00 32.31 H new ATOM 511 N MET A 31 26.757 -12.603 3.724 1.00 70.30 N ATOM 512 CA MET A 31 25.313 -12.789 3.639 1.00 40.05 C ATOM 513 C MET A 31 24.598 -11.446 3.530 1.00 73.11 C ATOM 514 O MET A 31 23.552 -11.340 2.891 1.00 13.33 O ATOM 515 CB MET A 31 24.803 -13.555 4.861 1.00 54.42 C ATOM 516 CG MET A 31 25.406 -14.942 5.004 1.00 31.42 C ATOM 517 SD MET A 31 24.940 -15.746 6.549 1.00 33.24 S ATOM 518 CE MET A 31 23.568 -16.760 6.003 1.00 20.21 C ATOM 0 H MET A 31 27.145 -12.731 4.659 1.00 70.30 H new ATOM 0 HA MET A 31 25.098 -13.369 2.741 1.00 40.05 H new ATOM 0 HB2 MET A 31 25.023 -12.978 5.759 1.00 54.42 H new ATOM 0 HB3 MET A 31 23.719 -13.644 4.797 1.00 54.42 H new ATOM 0 HG2 MET A 31 25.086 -15.561 4.166 1.00 31.42 H new ATOM 0 HG3 MET A 31 26.492 -14.869 4.950 1.00 31.42 H new ATOM 0 HE1 MET A 31 23.308 -17.473 6.786 1.00 20.21 H new ATOM 0 HE2 MET A 31 22.708 -16.125 5.791 1.00 20.21 H new ATOM 0 HE3 MET A 31 23.852 -17.300 5.100 1.00 20.21 H new ATOM 528 N ASN A 32 25.169 -10.424 4.158 1.00 1.23 N ATOM 529 CA ASN A 32 24.585 -9.088 4.133 1.00 52.35 C ATOM 530 C ASN A 32 24.445 -8.583 2.700 1.00 50.34 C ATOM 531 O ASN A 32 23.430 -7.989 2.337 1.00 2.33 O ATOM 532 CB ASN A 32 25.444 -8.117 4.946 1.00 74.13 C ATOM 533 CG ASN A 32 25.097 -6.667 4.669 1.00 51.02 C ATOM 534 OD1 ASN A 32 23.930 -6.277 4.710 1.00 32.41 O ATOM 535 ND2 ASN A 32 26.112 -5.860 4.384 1.00 24.01 N ATOM 0 H ASN A 32 26.036 -10.495 4.691 1.00 1.23 H new ATOM 0 HA ASN A 32 23.592 -9.144 4.579 1.00 52.35 H new ATOM 0 HB2 ASN A 32 25.313 -8.322 6.008 1.00 74.13 H new ATOM 0 HB3 ASN A 32 26.496 -8.286 4.716 1.00 74.13 H new ATOM 0 HD21 ASN A 32 25.940 -4.874 4.188 1.00 24.01 H new ATOM 0 HD22 ASN A 32 27.064 -6.226 4.361 1.00 24.01 H new ATOM 542 N GLU A 33 25.471 -8.824 1.890 1.00 63.31 N ATOM 543 CA GLU A 33 25.462 -8.394 0.497 1.00 42.41 C ATOM 544 C GLU A 33 24.674 -9.371 -0.370 1.00 33.22 C ATOM 545 O GLU A 33 24.007 -8.972 -1.325 1.00 42.21 O ATOM 546 CB GLU A 33 26.893 -8.267 -0.030 1.00 60.24 C ATOM 547 CG GLU A 33 27.712 -9.538 0.121 1.00 71.12 C ATOM 548 CD GLU A 33 29.205 -9.278 0.083 1.00 3.22 C ATOM 549 OE1 GLU A 33 29.713 -8.893 -0.991 1.00 70.32 O ATOM 550 OE2 GLU A 33 29.866 -9.459 1.127 1.00 1.41 O ATOM 0 H GLU A 33 26.319 -9.315 2.175 1.00 63.31 H new ATOM 0 HA GLU A 33 24.976 -7.419 0.448 1.00 42.41 H new ATOM 0 HB2 GLU A 33 26.860 -7.989 -1.083 1.00 60.24 H new ATOM 0 HB3 GLU A 33 27.395 -7.456 0.498 1.00 60.24 H new ATOM 0 HG2 GLU A 33 27.455 -10.021 1.064 1.00 71.12 H new ATOM 0 HG3 GLU A 33 27.448 -10.233 -0.676 1.00 71.12 H new ATOM 557 N ILE A 34 24.756 -10.653 -0.030 1.00 35.05 N ATOM 558 CA ILE A 34 24.050 -11.687 -0.776 1.00 32.55 C ATOM 559 C ILE A 34 22.539 -11.513 -0.663 1.00 1.23 C ATOM 560 O ILE A 34 21.819 -11.585 -1.658 1.00 52.45 O ATOM 561 CB ILE A 34 24.431 -13.096 -0.283 1.00 14.04 C ATOM 562 CG1 ILE A 34 25.838 -13.463 -0.757 1.00 41.03 C ATOM 563 CG2 ILE A 34 23.417 -14.120 -0.771 1.00 61.12 C ATOM 564 CD1 ILE A 34 26.490 -14.549 0.069 1.00 25.01 C ATOM 0 H ILE A 34 25.304 -11.000 0.757 1.00 35.05 H new ATOM 0 HA ILE A 34 24.348 -11.582 -1.819 1.00 32.55 H new ATOM 0 HB ILE A 34 24.424 -13.098 0.807 1.00 14.04 H new ATOM 0 HG12 ILE A 34 25.789 -13.788 -1.796 1.00 41.03 H new ATOM 0 HG13 ILE A 34 26.465 -12.572 -0.731 1.00 41.03 H new ATOM 0 HG21 ILE A 34 23.700 -15.111 -0.415 1.00 61.12 H new ATOM 0 HG22 ILE A 34 22.429 -13.865 -0.388 1.00 61.12 H new ATOM 0 HG23 ILE A 34 23.395 -14.119 -1.861 1.00 61.12 H new ATOM 0 HD11 ILE A 34 27.485 -14.758 -0.324 1.00 25.01 H new ATOM 0 HD12 ILE A 34 26.571 -14.219 1.105 1.00 25.01 H new ATOM 0 HD13 ILE A 34 25.885 -15.454 0.023 1.00 25.01 H new ATOM 576 N VAL A 35 22.065 -11.281 0.557 1.00 21.14 N ATOM 577 CA VAL A 35 20.640 -11.093 0.801 1.00 50.31 C ATOM 578 C VAL A 35 20.182 -9.713 0.343 1.00 52.25 C ATOM 579 O VAL A 35 19.041 -9.536 -0.083 1.00 75.15 O ATOM 580 CB VAL A 35 20.298 -11.266 2.293 1.00 52.13 C ATOM 581 CG1 VAL A 35 18.790 -11.283 2.496 1.00 25.24 C ATOM 582 CG2 VAL A 35 20.933 -12.535 2.841 1.00 52.13 C ATOM 0 H VAL A 35 22.647 -11.219 1.392 1.00 21.14 H new ATOM 0 HA VAL A 35 20.117 -11.856 0.225 1.00 50.31 H new ATOM 0 HB VAL A 35 20.705 -10.417 2.843 1.00 52.13 H new ATOM 0 HG11 VAL A 35 18.567 -11.406 3.556 1.00 25.24 H new ATOM 0 HG12 VAL A 35 18.365 -10.344 2.142 1.00 25.24 H new ATOM 0 HG13 VAL A 35 18.357 -12.111 1.936 1.00 25.24 H new ATOM 0 HG21 VAL A 35 20.681 -12.642 3.896 1.00 52.13 H new ATOM 0 HG22 VAL A 35 20.558 -13.397 2.290 1.00 52.13 H new ATOM 0 HG23 VAL A 35 22.016 -12.477 2.731 1.00 52.13 H new ATOM 592 N SER A 36 21.080 -8.737 0.432 1.00 32.05 N ATOM 593 CA SER A 36 20.767 -7.371 0.030 1.00 41.21 C ATOM 594 C SER A 36 20.617 -7.272 -1.485 1.00 41.32 C ATOM 595 O SER A 36 19.647 -6.706 -1.990 1.00 0.35 O ATOM 596 CB SER A 36 21.859 -6.413 0.509 1.00 1.34 C ATOM 597 OG SER A 36 21.875 -5.228 -0.268 1.00 0.35 O ATOM 0 H SER A 36 22.030 -8.867 0.779 1.00 32.05 H new ATOM 0 HA SER A 36 19.820 -7.091 0.491 1.00 41.21 H new ATOM 0 HB2 SER A 36 21.693 -6.162 1.557 1.00 1.34 H new ATOM 0 HB3 SER A 36 22.830 -6.904 0.449 1.00 1.34 H new ATOM 0 HG SER A 36 22.581 -4.632 0.059 1.00 0.35 H new ATOM 603 N LYS A 37 21.585 -7.827 -2.207 1.00 2.44 N ATOM 604 CA LYS A 37 21.563 -7.803 -3.664 1.00 70.43 C ATOM 605 C LYS A 37 20.394 -8.622 -4.204 1.00 25.12 C ATOM 606 O LYS A 37 19.580 -8.122 -4.979 1.00 31.01 O ATOM 607 CB LYS A 37 22.880 -8.345 -4.224 1.00 24.23 C ATOM 608 CG LYS A 37 23.187 -7.865 -5.632 1.00 11.45 C ATOM 609 CD LYS A 37 23.470 -6.372 -5.662 1.00 24.11 C ATOM 610 CE LYS A 37 24.894 -6.066 -5.222 1.00 70.15 C ATOM 611 NZ LYS A 37 24.955 -5.644 -3.796 1.00 4.32 N ATOM 0 H LYS A 37 22.395 -8.299 -1.806 1.00 2.44 H new ATOM 0 HA LYS A 37 21.438 -6.768 -3.983 1.00 70.43 H new ATOM 0 HB2 LYS A 37 23.695 -8.050 -3.563 1.00 24.23 H new ATOM 0 HB3 LYS A 37 22.845 -9.434 -4.220 1.00 24.23 H new ATOM 0 HG2 LYS A 37 24.048 -8.408 -6.023 1.00 11.45 H new ATOM 0 HG3 LYS A 37 22.345 -8.090 -6.286 1.00 11.45 H new ATOM 0 HD2 LYS A 37 23.310 -5.990 -6.670 1.00 24.11 H new ATOM 0 HD3 LYS A 37 22.767 -5.854 -5.009 1.00 24.11 H new ATOM 0 HE2 LYS A 37 25.516 -6.949 -5.366 1.00 70.15 H new ATOM 0 HE3 LYS A 37 25.307 -5.278 -5.852 1.00 70.15 H new ATOM 0 HZ1 LYS A 37 25.074 -4.612 -3.744 1.00 4.32 H new ATOM 0 HZ2 LYS A 37 24.073 -5.915 -3.316 1.00 4.32 H new ATOM 0 HZ3 LYS A 37 25.760 -6.109 -3.330 1.00 4.32 H new ATOM 625 N MET A 38 20.318 -9.882 -3.787 1.00 43.23 N ATOM 626 CA MET A 38 19.247 -10.768 -4.227 1.00 62.33 C ATOM 627 C MET A 38 17.883 -10.118 -4.019 1.00 43.11 C ATOM 628 O MET A 38 16.987 -10.252 -4.853 1.00 24.12 O ATOM 629 CB MET A 38 19.313 -12.097 -3.471 1.00 54.32 C ATOM 630 CG MET A 38 18.693 -12.038 -2.084 1.00 53.35 C ATOM 631 SD MET A 38 18.695 -13.638 -1.254 1.00 61.20 S ATOM 632 CE MET A 38 17.613 -14.578 -2.328 1.00 20.41 C ATOM 0 H MET A 38 20.985 -10.312 -3.146 1.00 43.23 H new ATOM 0 HA MET A 38 19.380 -10.957 -5.292 1.00 62.33 H new ATOM 0 HB2 MET A 38 18.804 -12.864 -4.055 1.00 54.32 H new ATOM 0 HB3 MET A 38 20.355 -12.404 -3.382 1.00 54.32 H new ATOM 0 HG2 MET A 38 19.240 -11.317 -1.476 1.00 53.35 H new ATOM 0 HG3 MET A 38 17.668 -11.676 -2.164 1.00 53.35 H new ATOM 0 HE1 MET A 38 17.457 -15.572 -1.908 1.00 20.41 H new ATOM 0 HE2 MET A 38 16.654 -14.067 -2.416 1.00 20.41 H new ATOM 0 HE3 MET A 38 18.068 -14.668 -3.314 1.00 20.41 H new ATOM 642 N ASP A 39 17.733 -9.414 -2.903 1.00 32.14 N ATOM 643 CA ASP A 39 16.478 -8.742 -2.585 1.00 71.25 C ATOM 644 C ASP A 39 16.228 -7.579 -3.540 1.00 71.13 C ATOM 645 O ASP A 39 15.082 -7.246 -3.842 1.00 73.11 O ATOM 646 CB ASP A 39 16.495 -8.238 -1.142 1.00 22.35 C ATOM 647 CG ASP A 39 15.139 -7.736 -0.687 1.00 73.52 C ATOM 648 OD1 ASP A 39 14.135 -8.043 -1.365 1.00 11.15 O ATOM 649 OD2 ASP A 39 15.081 -7.038 0.346 1.00 35.12 O ATOM 0 H ASP A 39 18.465 -9.294 -2.203 1.00 32.14 H new ATOM 0 HA ASP A 39 15.669 -9.464 -2.699 1.00 71.25 H new ATOM 0 HB2 ASP A 39 16.821 -9.043 -0.483 1.00 22.35 H new ATOM 0 HB3 ASP A 39 17.226 -7.435 -1.050 1.00 22.35 H new ATOM 654 N ASP A 40 17.307 -6.965 -4.011 1.00 43.43 N ATOM 655 CA ASP A 40 17.205 -5.838 -4.932 1.00 64.30 C ATOM 656 C ASP A 40 16.562 -6.268 -6.247 1.00 1.21 C ATOM 657 O ASP A 40 15.630 -5.627 -6.732 1.00 54.13 O ATOM 658 CB ASP A 40 18.589 -5.242 -5.198 1.00 33.35 C ATOM 659 CG ASP A 40 18.531 -4.021 -6.094 1.00 14.12 C ATOM 660 OD1 ASP A 40 17.635 -3.175 -5.888 1.00 33.43 O ATOM 661 OD2 ASP A 40 19.382 -3.910 -7.001 1.00 34.13 O ATOM 0 H ASP A 40 18.263 -7.228 -3.771 1.00 43.43 H new ATOM 0 HA ASP A 40 16.574 -5.079 -4.470 1.00 64.30 H new ATOM 0 HB2 ASP A 40 19.053 -4.971 -4.250 1.00 33.35 H new ATOM 0 HB3 ASP A 40 19.224 -5.998 -5.660 1.00 33.35 H new ATOM 666 N PHE A 41 17.067 -7.356 -6.819 1.00 51.31 N ATOM 667 CA PHE A 41 16.543 -7.870 -8.079 1.00 50.12 C ATOM 668 C PHE A 41 15.102 -8.344 -7.916 1.00 31.21 C ATOM 669 O PHE A 41 14.224 -7.982 -8.700 1.00 41.42 O ATOM 670 CB PHE A 41 17.416 -9.019 -8.588 1.00 34.34 C ATOM 671 CG PHE A 41 17.566 -9.042 -10.082 1.00 32.21 C ATOM 672 CD1 PHE A 41 16.560 -8.553 -10.900 1.00 44.40 C ATOM 673 CD2 PHE A 41 18.713 -9.553 -10.668 1.00 55.35 C ATOM 674 CE1 PHE A 41 16.696 -8.573 -12.275 1.00 72.33 C ATOM 675 CE2 PHE A 41 18.854 -9.576 -12.043 1.00 52.43 C ATOM 676 CZ PHE A 41 17.844 -9.084 -12.848 1.00 24.24 C ATOM 0 H PHE A 41 17.838 -7.899 -6.430 1.00 51.31 H new ATOM 0 HA PHE A 41 16.560 -7.060 -8.808 1.00 50.12 H new ATOM 0 HB2 PHE A 41 18.404 -8.943 -8.133 1.00 34.34 H new ATOM 0 HB3 PHE A 41 16.985 -9.965 -8.260 1.00 34.34 H new ATOM 0 HD1 PHE A 41 15.660 -8.152 -10.458 1.00 44.40 H new ATOM 0 HD2 PHE A 41 19.506 -9.938 -10.043 1.00 55.35 H new ATOM 0 HE1 PHE A 41 15.905 -8.189 -12.902 1.00 72.33 H new ATOM 0 HE2 PHE A 41 19.752 -9.978 -12.488 1.00 52.43 H new ATOM 0 HZ PHE A 41 17.952 -9.099 -13.922 1.00 24.24 H new ATOM 686 N LEU A 42 14.866 -9.157 -6.892 1.00 74.54 N ATOM 687 CA LEU A 42 13.531 -9.683 -6.625 1.00 23.00 C ATOM 688 C LEU A 42 12.558 -8.556 -6.295 1.00 1.20 C ATOM 689 O LEU A 42 11.376 -8.624 -6.632 1.00 25.42 O ATOM 690 CB LEU A 42 13.579 -10.686 -5.471 1.00 15.33 C ATOM 691 CG LEU A 42 13.046 -12.086 -5.776 1.00 33.12 C ATOM 692 CD1 LEU A 42 11.526 -12.079 -5.831 1.00 51.52 C ATOM 693 CD2 LEU A 42 13.626 -12.604 -7.083 1.00 62.45 C ATOM 0 H LEU A 42 15.581 -9.466 -6.233 1.00 74.54 H new ATOM 0 HA LEU A 42 13.179 -10.189 -7.524 1.00 23.00 H new ATOM 0 HB2 LEU A 42 14.613 -10.777 -5.138 1.00 15.33 H new ATOM 0 HB3 LEU A 42 13.010 -10.276 -4.636 1.00 15.33 H new ATOM 0 HG LEU A 42 13.357 -12.755 -4.973 1.00 33.12 H new ATOM 0 HD11 LEU A 42 11.165 -13.084 -6.049 1.00 51.52 H new ATOM 0 HD12 LEU A 42 11.129 -11.751 -4.870 1.00 51.52 H new ATOM 0 HD13 LEU A 42 11.193 -11.396 -6.613 1.00 51.52 H new ATOM 0 HD21 LEU A 42 13.236 -13.602 -7.284 1.00 62.45 H new ATOM 0 HD22 LEU A 42 13.346 -11.934 -7.896 1.00 62.45 H new ATOM 0 HD23 LEU A 42 14.712 -12.648 -7.007 1.00 62.45 H new ATOM 705 N MET A 43 13.064 -7.518 -5.636 1.00 32.41 N ATOM 706 CA MET A 43 12.239 -6.375 -5.264 1.00 4.53 C ATOM 707 C MET A 43 11.732 -5.644 -6.503 1.00 34.21 C ATOM 708 O MET A 43 10.580 -5.211 -6.553 1.00 3.33 O ATOM 709 CB MET A 43 13.035 -5.412 -4.380 1.00 14.40 C ATOM 710 CG MET A 43 12.282 -4.135 -4.041 1.00 71.23 C ATOM 711 SD MET A 43 13.286 -2.963 -3.109 1.00 31.45 S ATOM 712 CE MET A 43 14.155 -2.131 -4.435 1.00 64.51 C ATOM 0 H MET A 43 14.040 -7.445 -5.349 1.00 32.41 H new ATOM 0 HA MET A 43 11.379 -6.745 -4.705 1.00 4.53 H new ATOM 0 HB2 MET A 43 13.306 -5.921 -3.455 1.00 14.40 H new ATOM 0 HB3 MET A 43 13.965 -5.152 -4.885 1.00 14.40 H new ATOM 0 HG2 MET A 43 11.941 -3.663 -4.963 1.00 71.23 H new ATOM 0 HG3 MET A 43 11.392 -4.385 -3.463 1.00 71.23 H new ATOM 0 HE1 MET A 43 14.818 -1.374 -4.017 1.00 64.51 H new ATOM 0 HE2 MET A 43 14.742 -2.857 -4.997 1.00 64.51 H new ATOM 0 HE3 MET A 43 13.434 -1.655 -5.100 1.00 64.51 H new ATOM 722 N LYS A 44 12.598 -5.511 -7.502 1.00 15.32 N ATOM 723 CA LYS A 44 12.237 -4.834 -8.742 1.00 3.30 C ATOM 724 C LYS A 44 11.223 -5.653 -9.534 1.00 43.22 C ATOM 725 O LYS A 44 10.359 -5.100 -10.215 1.00 32.02 O ATOM 726 CB LYS A 44 13.485 -4.586 -9.593 1.00 11.22 C ATOM 727 CG LYS A 44 13.686 -5.615 -10.692 1.00 1.14 C ATOM 728 CD LYS A 44 15.117 -5.611 -11.204 1.00 34.31 C ATOM 729 CE LYS A 44 15.423 -4.347 -11.992 1.00 61.35 C ATOM 730 NZ LYS A 44 15.856 -3.232 -11.106 1.00 41.20 N ATOM 0 H LYS A 44 13.555 -5.863 -7.477 1.00 15.32 H new ATOM 0 HA LYS A 44 11.783 -3.877 -8.486 1.00 3.30 H new ATOM 0 HB2 LYS A 44 13.417 -3.595 -10.042 1.00 11.22 H new ATOM 0 HB3 LYS A 44 14.362 -4.583 -8.945 1.00 11.22 H new ATOM 0 HG2 LYS A 44 13.437 -6.606 -10.314 1.00 1.14 H new ATOM 0 HG3 LYS A 44 13.003 -5.407 -11.516 1.00 1.14 H new ATOM 0 HD2 LYS A 44 15.806 -5.693 -10.363 1.00 34.31 H new ATOM 0 HD3 LYS A 44 15.281 -6.484 -11.836 1.00 34.31 H new ATOM 0 HE2 LYS A 44 16.205 -4.555 -12.722 1.00 61.35 H new ATOM 0 HE3 LYS A 44 14.537 -4.044 -12.551 1.00 61.35 H new ATOM 0 HZ1 LYS A 44 15.070 -2.562 -10.981 1.00 41.20 H new ATOM 0 HZ2 LYS A 44 16.136 -3.613 -10.180 1.00 41.20 H new ATOM 0 HZ3 LYS A 44 16.665 -2.740 -11.537 1.00 41.20 H new ATOM 744 N LYS A 45 11.334 -6.974 -9.440 1.00 53.54 N ATOM 745 CA LYS A 45 10.425 -7.870 -10.146 1.00 2.23 C ATOM 746 C LYS A 45 9.001 -7.724 -9.621 1.00 35.04 C ATOM 747 O LYS A 45 8.067 -7.489 -10.388 1.00 61.30 O ATOM 748 CB LYS A 45 10.889 -9.320 -9.997 1.00 21.55 C ATOM 749 CG LYS A 45 9.880 -10.337 -10.503 1.00 1.25 C ATOM 750 CD LYS A 45 9.848 -10.382 -12.021 1.00 61.30 C ATOM 751 CE LYS A 45 8.829 -11.391 -12.527 1.00 72.40 C ATOM 752 NZ LYS A 45 8.250 -10.986 -13.838 1.00 10.43 N ATOM 0 H LYS A 45 12.044 -7.448 -8.882 1.00 53.54 H new ATOM 0 HA LYS A 45 10.433 -7.599 -11.202 1.00 2.23 H new ATOM 0 HB2 LYS A 45 11.826 -9.450 -10.538 1.00 21.55 H new ATOM 0 HB3 LYS A 45 11.098 -9.520 -8.946 1.00 21.55 H new ATOM 0 HG2 LYS A 45 10.130 -11.324 -10.114 1.00 1.25 H new ATOM 0 HG3 LYS A 45 8.889 -10.087 -10.124 1.00 1.25 H new ATOM 0 HD2 LYS A 45 9.607 -9.393 -12.410 1.00 61.30 H new ATOM 0 HD3 LYS A 45 10.837 -10.641 -12.399 1.00 61.30 H new ATOM 0 HE2 LYS A 45 9.303 -12.367 -12.626 1.00 72.40 H new ATOM 0 HE3 LYS A 45 8.029 -11.498 -11.794 1.00 72.40 H new ATOM 0 HZ1 LYS A 45 7.326 -11.445 -13.966 1.00 10.43 H new ATOM 0 HZ2 LYS A 45 8.129 -9.953 -13.860 1.00 10.43 H new ATOM 0 HZ3 LYS A 45 8.890 -11.276 -14.605 1.00 10.43 H new ATOM 766 N SER A 46 8.841 -7.863 -8.308 1.00 61.34 N ATOM 767 CA SER A 46 7.529 -7.749 -7.681 1.00 65.34 C ATOM 768 C SER A 46 6.950 -6.353 -7.884 1.00 51.33 C ATOM 769 O SER A 46 5.733 -6.165 -7.876 1.00 61.01 O ATOM 770 CB SER A 46 7.626 -8.061 -6.187 1.00 24.42 C ATOM 771 OG SER A 46 8.449 -7.119 -5.521 1.00 42.23 O ATOM 0 H SER A 46 9.604 -8.055 -7.658 1.00 61.34 H new ATOM 0 HA SER A 46 6.864 -8.472 -8.153 1.00 65.34 H new ATOM 0 HB2 SER A 46 6.629 -8.054 -5.746 1.00 24.42 H new ATOM 0 HB3 SER A 46 8.029 -9.064 -6.047 1.00 24.42 H new ATOM 0 HG SER A 46 8.983 -6.628 -6.180 1.00 42.23 H new ATOM 777 N LYS A 47 7.830 -5.374 -8.066 1.00 64.45 N ATOM 778 CA LYS A 47 7.409 -3.994 -8.273 1.00 41.10 C ATOM 779 C LYS A 47 6.832 -3.805 -9.672 1.00 50.33 C ATOM 780 O LYS A 47 5.963 -2.959 -9.886 1.00 11.00 O ATOM 781 CB LYS A 47 8.589 -3.042 -8.064 1.00 21.24 C ATOM 782 CG LYS A 47 9.063 -2.371 -9.341 1.00 3.11 C ATOM 783 CD LYS A 47 8.199 -1.172 -9.695 1.00 20.31 C ATOM 784 CE LYS A 47 9.044 0.060 -9.979 1.00 63.23 C ATOM 785 NZ LYS A 47 9.783 0.517 -8.770 1.00 14.23 N ATOM 0 H LYS A 47 8.841 -5.512 -8.074 1.00 64.45 H new ATOM 0 HA LYS A 47 6.631 -3.765 -7.544 1.00 41.10 H new ATOM 0 HB2 LYS A 47 8.303 -2.274 -7.345 1.00 21.24 H new ATOM 0 HB3 LYS A 47 9.419 -3.596 -7.625 1.00 21.24 H new ATOM 0 HG2 LYS A 47 10.099 -2.052 -9.223 1.00 3.11 H new ATOM 0 HG3 LYS A 47 9.042 -3.090 -10.160 1.00 3.11 H new ATOM 0 HD2 LYS A 47 7.590 -1.406 -10.568 1.00 20.31 H new ATOM 0 HD3 LYS A 47 7.512 -0.962 -8.875 1.00 20.31 H new ATOM 0 HE2 LYS A 47 9.754 -0.162 -10.776 1.00 63.23 H new ATOM 0 HE3 LYS A 47 8.403 0.865 -10.339 1.00 63.23 H new ATOM 0 HZ1 LYS A 47 10.006 1.529 -8.861 1.00 14.23 H new ATOM 0 HZ2 LYS A 47 9.194 0.367 -7.926 1.00 14.23 H new ATOM 0 HZ3 LYS A 47 10.666 -0.025 -8.677 1.00 14.23 H new ATOM 799 N ILE A 48 7.319 -4.598 -10.621 1.00 5.55 N ATOM 800 CA ILE A 48 6.850 -4.518 -11.998 1.00 74.30 C ATOM 801 C ILE A 48 5.519 -5.244 -12.168 1.00 0.34 C ATOM 802 O ILE A 48 4.685 -4.851 -12.985 1.00 22.40 O ATOM 803 CB ILE A 48 7.876 -5.116 -12.978 1.00 60.33 C ATOM 804 CG1 ILE A 48 9.148 -4.266 -13.001 1.00 12.12 C ATOM 805 CG2 ILE A 48 7.278 -5.221 -14.373 1.00 74.21 C ATOM 806 CD1 ILE A 48 10.421 -5.083 -13.017 1.00 12.24 C ATOM 0 H ILE A 48 8.038 -5.303 -10.461 1.00 5.55 H new ATOM 0 HA ILE A 48 6.717 -3.460 -12.225 1.00 74.30 H new ATOM 0 HB ILE A 48 8.137 -6.119 -12.639 1.00 60.33 H new ATOM 0 HG12 ILE A 48 9.129 -3.621 -13.880 1.00 12.12 H new ATOM 0 HG13 ILE A 48 9.155 -3.614 -12.128 1.00 12.12 H new ATOM 0 HG21 ILE A 48 8.016 -5.645 -15.054 1.00 74.21 H new ATOM 0 HG22 ILE A 48 6.398 -5.864 -14.344 1.00 74.21 H new ATOM 0 HG23 ILE A 48 6.991 -4.229 -14.721 1.00 74.21 H new ATOM 0 HD11 ILE A 48 11.282 -4.415 -13.033 1.00 12.24 H new ATOM 0 HD12 ILE A 48 10.463 -5.708 -12.125 1.00 12.24 H new ATOM 0 HD13 ILE A 48 10.436 -5.716 -13.905 1.00 12.24 H new ATOM 818 N LEU A 49 5.326 -6.303 -11.389 1.00 55.51 N ATOM 819 CA LEU A 49 4.095 -7.083 -11.451 1.00 55.10 C ATOM 820 C LEU A 49 2.891 -6.234 -11.055 1.00 10.23 C ATOM 821 O LEU A 49 1.751 -6.564 -11.379 1.00 63.31 O ATOM 822 CB LEU A 49 4.195 -8.304 -10.535 1.00 61.25 C ATOM 823 CG LEU A 49 5.501 -9.095 -10.613 1.00 62.51 C ATOM 824 CD1 LEU A 49 5.309 -10.499 -10.059 1.00 51.24 C ATOM 825 CD2 LEU A 49 6.007 -9.151 -12.047 1.00 50.32 C ATOM 0 H LEU A 49 6.006 -6.641 -10.708 1.00 55.51 H new ATOM 0 HA LEU A 49 3.958 -7.418 -12.479 1.00 55.10 H new ATOM 0 HB2 LEU A 49 4.054 -7.974 -9.506 1.00 61.25 H new ATOM 0 HB3 LEU A 49 3.371 -8.978 -10.769 1.00 61.25 H new ATOM 0 HG LEU A 49 6.248 -8.585 -10.005 1.00 62.51 H new ATOM 0 HD11 LEU A 49 6.249 -11.047 -10.123 1.00 51.24 H new ATOM 0 HD12 LEU A 49 4.994 -10.439 -9.017 1.00 51.24 H new ATOM 0 HD13 LEU A 49 4.546 -11.018 -10.640 1.00 51.24 H new ATOM 0 HD21 LEU A 49 6.937 -9.718 -12.083 1.00 50.32 H new ATOM 0 HD22 LEU A 49 5.262 -9.636 -12.677 1.00 50.32 H new ATOM 0 HD23 LEU A 49 6.185 -8.139 -12.410 1.00 50.32 H new ATOM 837 N GLY A 50 3.153 -5.136 -10.352 1.00 43.32 N ATOM 838 CA GLY A 50 2.082 -4.255 -9.925 1.00 50.21 C ATOM 839 C GLY A 50 2.084 -2.935 -10.671 1.00 60.32 C ATOM 840 O GLY A 50 1.038 -2.308 -10.843 1.00 24.44 O ATOM 0 H GLY A 50 4.088 -4.841 -10.071 1.00 43.32 H new ATOM 0 HA2 GLY A 50 1.124 -4.753 -10.076 1.00 50.21 H new ATOM 0 HA3 GLY A 50 2.177 -4.065 -8.856 1.00 50.21 H new ATOM 844 N LYS A 51 3.262 -2.511 -11.115 1.00 40.53 N ATOM 845 CA LYS A 51 3.398 -1.257 -11.847 1.00 15.40 C ATOM 846 C LYS A 51 2.632 -1.310 -13.165 1.00 74.20 C ATOM 847 O LYS A 51 1.938 -2.286 -13.454 1.00 25.44 O ATOM 848 CB LYS A 51 4.874 -0.955 -12.115 1.00 31.43 C ATOM 849 CG LYS A 51 5.377 0.294 -11.412 1.00 30.42 C ATOM 850 CD LYS A 51 5.155 0.216 -9.911 1.00 11.43 C ATOM 851 CE LYS A 51 5.713 1.440 -9.201 1.00 4.30 C ATOM 852 NZ LYS A 51 5.084 1.643 -7.867 1.00 10.13 N ATOM 0 H LYS A 51 4.137 -3.018 -10.981 1.00 40.53 H new ATOM 0 HA LYS A 51 2.976 -0.461 -11.233 1.00 15.40 H new ATOM 0 HB2 LYS A 51 5.474 -1.807 -11.797 1.00 31.43 H new ATOM 0 HB3 LYS A 51 5.024 -0.843 -13.189 1.00 31.43 H new ATOM 0 HG2 LYS A 51 6.439 0.425 -11.617 1.00 30.42 H new ATOM 0 HG3 LYS A 51 4.864 1.169 -11.812 1.00 30.42 H new ATOM 0 HD2 LYS A 51 4.088 0.129 -9.704 1.00 11.43 H new ATOM 0 HD3 LYS A 51 5.631 -0.682 -9.518 1.00 11.43 H new ATOM 0 HE2 LYS A 51 6.791 1.330 -9.081 1.00 4.30 H new ATOM 0 HE3 LYS A 51 5.549 2.324 -9.818 1.00 4.30 H new ATOM 0 HZ1 LYS A 51 5.429 2.532 -7.452 1.00 10.13 H new ATOM 0 HZ2 LYS A 51 4.051 1.689 -7.974 1.00 10.13 H new ATOM 0 HZ3 LYS A 51 5.333 0.850 -7.242 1.00 10.13 H new ATOM 866 N THR A 52 2.762 -0.255 -13.964 1.00 20.34 N ATOM 867 CA THR A 52 2.083 -0.183 -15.251 1.00 12.41 C ATOM 868 C THR A 52 3.039 0.259 -16.353 1.00 10.11 C ATOM 869 O THR A 52 4.175 0.648 -16.083 1.00 74.42 O ATOM 870 CB THR A 52 0.889 0.790 -15.202 1.00 63.03 C ATOM 871 OG1 THR A 52 0.134 0.699 -16.415 1.00 52.43 O ATOM 872 CG2 THR A 52 1.365 2.221 -15.001 1.00 20.22 C ATOM 0 H THR A 52 3.332 0.561 -13.742 1.00 20.34 H new ATOM 0 HA THR A 52 1.717 -1.186 -15.472 1.00 12.41 H new ATOM 0 HB THR A 52 0.256 0.513 -14.359 1.00 63.03 H new ATOM 0 HG1 THR A 52 -0.624 1.319 -16.376 1.00 52.43 H new ATOM 0 HG21 THR A 52 0.505 2.890 -14.970 1.00 20.22 H new ATOM 0 HG22 THR A 52 1.915 2.293 -14.063 1.00 20.22 H new ATOM 0 HG23 THR A 52 2.017 2.507 -15.826 1.00 20.22 H new ATOM 880 N ASN A 53 2.571 0.197 -17.596 1.00 4.35 N ATOM 881 CA ASN A 53 3.386 0.591 -18.739 1.00 41.52 C ATOM 882 C ASN A 53 3.934 2.004 -18.556 1.00 32.40 C ATOM 883 O ASN A 53 5.015 2.331 -19.046 1.00 53.01 O ATOM 884 CB ASN A 53 2.565 0.514 -20.028 1.00 11.03 C ATOM 885 CG ASN A 53 1.229 1.221 -19.905 1.00 73.21 C ATOM 886 OD1 ASN A 53 0.205 0.594 -19.630 1.00 5.34 O ATOM 887 ND2 ASN A 53 1.233 2.533 -20.110 1.00 73.22 N ATOM 0 H ASN A 53 1.633 -0.122 -17.837 1.00 4.35 H new ATOM 0 HA ASN A 53 4.226 -0.099 -18.809 1.00 41.52 H new ATOM 0 HB2 ASN A 53 3.134 0.958 -20.845 1.00 11.03 H new ATOM 0 HB3 ASN A 53 2.397 -0.531 -20.287 1.00 11.03 H new ATOM 0 HD21 ASN A 53 0.364 3.062 -20.042 1.00 73.22 H new ATOM 0 HD22 ASN A 53 2.105 3.011 -20.336 1.00 73.22 H new ATOM 894 N LYS A 54 3.181 2.837 -17.846 1.00 75.13 N ATOM 895 CA LYS A 54 3.590 4.214 -17.595 1.00 75.25 C ATOM 896 C LYS A 54 4.885 4.259 -16.791 1.00 73.31 C ATOM 897 O LYS A 54 5.772 5.065 -17.071 1.00 74.44 O ATOM 898 CB LYS A 54 2.486 4.967 -16.849 1.00 5.24 C ATOM 899 CG LYS A 54 1.148 4.955 -17.566 1.00 70.54 C ATOM 900 CD LYS A 54 0.105 5.764 -16.815 1.00 14.12 C ATOM 901 CE LYS A 54 -0.438 4.999 -15.617 1.00 40.23 C ATOM 902 NZ LYS A 54 -1.372 5.829 -14.806 1.00 61.53 N ATOM 0 H LYS A 54 2.283 2.582 -17.434 1.00 75.13 H new ATOM 0 HA LYS A 54 3.764 4.697 -18.557 1.00 75.25 H new ATOM 0 HB2 LYS A 54 2.362 4.526 -15.860 1.00 5.24 H new ATOM 0 HB3 LYS A 54 2.800 6.000 -16.701 1.00 5.24 H new ATOM 0 HG2 LYS A 54 1.269 5.360 -18.571 1.00 70.54 H new ATOM 0 HG3 LYS A 54 0.802 3.927 -17.676 1.00 70.54 H new ATOM 0 HD2 LYS A 54 0.544 6.703 -16.479 1.00 14.12 H new ATOM 0 HD3 LYS A 54 -0.714 6.017 -17.488 1.00 14.12 H new ATOM 0 HE2 LYS A 54 -0.954 4.103 -15.962 1.00 40.23 H new ATOM 0 HE3 LYS A 54 0.391 4.668 -14.991 1.00 40.23 H new ATOM 0 HZ1 LYS A 54 -1.720 5.272 -13.999 1.00 61.53 H new ATOM 0 HZ2 LYS A 54 -0.873 6.671 -14.456 1.00 61.53 H new ATOM 0 HZ3 LYS A 54 -2.176 6.124 -15.396 1.00 61.53 H new ATOM 916 N GLN A 55 4.986 3.388 -15.792 1.00 64.55 N ATOM 917 CA GLN A 55 6.174 3.328 -14.949 1.00 2.51 C ATOM 918 C GLN A 55 7.258 2.471 -15.594 1.00 41.21 C ATOM 919 O GLN A 55 8.449 2.761 -15.471 1.00 30.34 O ATOM 920 CB GLN A 55 5.819 2.770 -13.570 1.00 31.31 C ATOM 921 CG GLN A 55 6.791 3.183 -12.477 1.00 1.41 C ATOM 922 CD GLN A 55 6.817 4.683 -12.256 1.00 21.11 C ATOM 923 OE1 GLN A 55 7.856 5.326 -12.406 1.00 3.21 O ATOM 924 NE2 GLN A 55 5.670 5.249 -11.897 1.00 65.34 N ATOM 0 H GLN A 55 4.260 2.715 -15.547 1.00 64.55 H new ATOM 0 HA GLN A 55 6.559 4.342 -14.835 1.00 2.51 H new ATOM 0 HB2 GLN A 55 4.817 3.104 -13.299 1.00 31.31 H new ATOM 0 HB3 GLN A 55 5.788 1.682 -13.625 1.00 31.31 H new ATOM 0 HG2 GLN A 55 6.517 2.687 -11.546 1.00 1.41 H new ATOM 0 HG3 GLN A 55 7.792 2.841 -12.738 1.00 1.41 H new ATOM 0 HE21 GLN A 55 4.833 4.678 -11.784 1.00 65.34 H new ATOM 0 HE22 GLN A 55 5.627 6.255 -11.734 1.00 65.34 H new ATOM 933 N LEU A 56 6.839 1.415 -16.282 1.00 55.22 N ATOM 934 CA LEU A 56 7.774 0.515 -16.947 1.00 72.43 C ATOM 935 C LEU A 56 8.781 1.297 -17.785 1.00 34.42 C ATOM 936 O LEU A 56 8.406 2.148 -18.591 1.00 52.54 O ATOM 937 CB LEU A 56 7.016 -0.476 -17.833 1.00 41.34 C ATOM 938 CG LEU A 56 7.841 -1.178 -18.912 1.00 61.51 C ATOM 939 CD1 LEU A 56 7.311 -2.582 -19.159 1.00 64.52 C ATOM 940 CD2 LEU A 56 7.834 -0.369 -20.201 1.00 32.22 C ATOM 0 H LEU A 56 5.858 1.161 -16.394 1.00 55.22 H new ATOM 0 HA LEU A 56 8.318 -0.035 -16.179 1.00 72.43 H new ATOM 0 HB2 LEU A 56 6.569 -1.237 -17.193 1.00 41.34 H new ATOM 0 HB3 LEU A 56 6.196 0.054 -18.318 1.00 41.34 H new ATOM 0 HG LEU A 56 8.870 -1.256 -18.562 1.00 61.51 H new ATOM 0 HD11 LEU A 56 7.910 -3.067 -19.930 1.00 64.52 H new ATOM 0 HD12 LEU A 56 7.369 -3.160 -18.237 1.00 64.52 H new ATOM 0 HD13 LEU A 56 6.273 -2.527 -19.487 1.00 64.52 H new ATOM 0 HD21 LEU A 56 8.426 -0.884 -20.957 1.00 32.22 H new ATOM 0 HD22 LEU A 56 6.809 -0.259 -20.556 1.00 32.22 H new ATOM 0 HD23 LEU A 56 8.261 0.616 -20.015 1.00 32.22 H new ATOM 952 N THR A 57 10.062 1.000 -17.590 1.00 11.41 N ATOM 953 CA THR A 57 11.123 1.674 -18.327 1.00 50.34 C ATOM 954 C THR A 57 12.052 0.668 -18.997 1.00 1.14 C ATOM 955 O THR A 57 11.794 -0.536 -18.980 1.00 40.44 O ATOM 956 CB THR A 57 11.953 2.589 -17.407 1.00 50.32 C ATOM 957 OG1 THR A 57 12.738 1.798 -16.508 1.00 35.01 O ATOM 958 CG2 THR A 57 11.050 3.522 -16.614 1.00 71.03 C ATOM 0 H THR A 57 10.390 0.297 -16.928 1.00 11.41 H new ATOM 0 HA THR A 57 10.639 2.282 -19.091 1.00 50.34 H new ATOM 0 HB THR A 57 12.613 3.192 -18.031 1.00 50.32 H new ATOM 0 HG1 THR A 57 13.264 2.387 -15.928 1.00 35.01 H new ATOM 0 HG21 THR A 57 11.659 4.158 -15.972 1.00 71.03 H new ATOM 0 HG22 THR A 57 10.476 4.143 -17.301 1.00 71.03 H new ATOM 0 HG23 THR A 57 10.368 2.934 -16.000 1.00 71.03 H new ATOM 966 N ARG A 58 13.134 1.168 -19.584 1.00 2.51 N ATOM 967 CA ARG A 58 14.102 0.312 -20.259 1.00 52.34 C ATOM 968 C ARG A 58 14.557 -0.821 -19.344 1.00 44.44 C ATOM 969 O ARG A 58 14.550 -1.988 -19.734 1.00 72.13 O ATOM 970 CB ARG A 58 15.311 1.132 -20.714 1.00 55.50 C ATOM 971 CG ARG A 58 16.384 0.305 -21.402 1.00 0.11 C ATOM 972 CD ARG A 58 15.894 -0.249 -22.731 1.00 22.24 C ATOM 973 NE ARG A 58 16.889 -1.110 -23.365 1.00 32.45 N ATOM 974 CZ ARG A 58 16.671 -1.777 -24.493 1.00 24.45 C ATOM 975 NH1 ARG A 58 15.501 -1.682 -25.108 1.00 32.33 N ATOM 976 NH2 ARG A 58 17.626 -2.541 -25.008 1.00 24.13 N ATOM 0 H ARG A 58 13.363 2.162 -19.606 1.00 2.51 H new ATOM 0 HA ARG A 58 13.617 -0.123 -21.133 1.00 52.34 H new ATOM 0 HB2 ARG A 58 14.974 1.913 -21.395 1.00 55.50 H new ATOM 0 HB3 ARG A 58 15.748 1.630 -19.849 1.00 55.50 H new ATOM 0 HG2 ARG A 58 17.269 0.920 -21.567 1.00 0.11 H new ATOM 0 HG3 ARG A 58 16.684 -0.517 -20.752 1.00 0.11 H new ATOM 0 HD2 ARG A 58 14.975 -0.813 -22.572 1.00 22.24 H new ATOM 0 HD3 ARG A 58 15.650 0.576 -23.400 1.00 22.24 H new ATOM 0 HE ARG A 58 17.801 -1.204 -22.917 1.00 32.45 H new ATOM 0 HH11 ARG A 58 14.765 -1.095 -24.715 1.00 32.33 H new ATOM 0 HH12 ARG A 58 15.337 -2.195 -25.974 1.00 32.33 H new ATOM 0 HH21 ARG A 58 18.528 -2.616 -24.538 1.00 24.13 H new ATOM 0 HH22 ARG A 58 17.458 -3.053 -25.874 1.00 24.13 H new ATOM 990 N SER A 59 14.954 -0.467 -18.126 1.00 62.10 N ATOM 991 CA SER A 59 15.417 -1.453 -17.157 1.00 24.22 C ATOM 992 C SER A 59 14.339 -2.498 -16.887 1.00 13.11 C ATOM 993 O SER A 59 14.639 -3.652 -16.583 1.00 24.42 O ATOM 994 CB SER A 59 15.816 -0.766 -15.849 1.00 64.24 C ATOM 995 OG SER A 59 17.139 -0.262 -15.921 1.00 30.40 O ATOM 0 H SER A 59 14.964 0.495 -17.787 1.00 62.10 H new ATOM 0 HA SER A 59 16.289 -1.956 -17.576 1.00 24.22 H new ATOM 0 HB2 SER A 59 15.124 0.049 -15.637 1.00 64.24 H new ATOM 0 HB3 SER A 59 15.737 -1.474 -15.024 1.00 64.24 H new ATOM 0 HG SER A 59 17.370 0.174 -15.074 1.00 30.40 H new ATOM 1001 N ASP A 60 13.082 -2.084 -17.000 1.00 54.24 N ATOM 1002 CA ASP A 60 11.957 -2.983 -16.770 1.00 53.20 C ATOM 1003 C ASP A 60 11.786 -3.950 -17.937 1.00 63.22 C ATOM 1004 O ASP A 60 11.381 -5.097 -17.751 1.00 75.51 O ATOM 1005 CB ASP A 60 10.670 -2.182 -16.563 1.00 42.23 C ATOM 1006 CG ASP A 60 9.475 -3.070 -16.280 1.00 54.22 C ATOM 1007 OD1 ASP A 60 9.678 -4.273 -16.012 1.00 45.35 O ATOM 1008 OD2 ASP A 60 8.335 -2.562 -16.325 1.00 51.23 O ATOM 0 H ASP A 60 12.816 -1.131 -17.250 1.00 54.24 H new ATOM 0 HA ASP A 60 12.165 -3.561 -15.870 1.00 53.20 H new ATOM 0 HB2 ASP A 60 10.807 -1.487 -15.734 1.00 42.23 H new ATOM 0 HB3 ASP A 60 10.471 -1.583 -17.452 1.00 42.23 H new ATOM 1013 N ARG A 61 12.098 -3.479 -19.140 1.00 51.21 N ATOM 1014 CA ARG A 61 11.977 -4.301 -20.338 1.00 31.32 C ATOM 1015 C ARG A 61 13.120 -5.309 -20.423 1.00 35.11 C ATOM 1016 O ARG A 61 12.923 -6.451 -20.838 1.00 14.33 O ATOM 1017 CB ARG A 61 11.966 -3.420 -21.588 1.00 73.23 C ATOM 1018 CG ARG A 61 10.740 -3.622 -22.465 1.00 24.43 C ATOM 1019 CD ARG A 61 10.049 -2.302 -22.769 1.00 21.51 C ATOM 1020 NE ARG A 61 9.085 -2.428 -23.859 1.00 32.05 N ATOM 1021 CZ ARG A 61 8.662 -1.401 -24.587 1.00 73.24 C ATOM 1022 NH1 ARG A 61 9.116 -0.180 -24.344 1.00 40.43 N ATOM 1023 NH2 ARG A 61 7.783 -1.596 -25.562 1.00 53.52 N ATOM 0 H ARG A 61 12.437 -2.532 -19.311 1.00 51.21 H new ATOM 0 HA ARG A 61 11.036 -4.848 -20.279 1.00 31.32 H new ATOM 0 HB2 ARG A 61 12.018 -2.374 -21.286 1.00 73.23 H new ATOM 0 HB3 ARG A 61 12.861 -3.626 -22.176 1.00 73.23 H new ATOM 0 HG2 ARG A 61 11.034 -4.103 -23.398 1.00 24.43 H new ATOM 0 HG3 ARG A 61 10.041 -4.293 -21.966 1.00 24.43 H new ATOM 0 HD2 ARG A 61 9.540 -1.945 -21.874 1.00 21.51 H new ATOM 0 HD3 ARG A 61 10.797 -1.553 -23.031 1.00 21.51 H new ATOM 0 HE ARG A 61 8.717 -3.355 -24.073 1.00 32.05 H new ATOM 0 HH11 ARG A 61 9.792 -0.027 -23.596 1.00 40.43 H new ATOM 0 HH12 ARG A 61 8.789 0.607 -24.905 1.00 40.43 H new ATOM 0 HH21 ARG A 61 7.432 -2.535 -25.752 1.00 53.52 H new ATOM 0 HH22 ARG A 61 7.458 -0.807 -26.121 1.00 53.52 H new ATOM 1037 N GLU A 62 14.313 -4.878 -20.028 1.00 2.54 N ATOM 1038 CA GLU A 62 15.487 -5.742 -20.061 1.00 32.30 C ATOM 1039 C GLU A 62 15.374 -6.852 -19.020 1.00 25.41 C ATOM 1040 O GLU A 62 15.796 -7.985 -19.256 1.00 13.13 O ATOM 1041 CB GLU A 62 16.757 -4.925 -19.816 1.00 60.10 C ATOM 1042 CG GLU A 62 17.105 -4.767 -18.345 1.00 51.24 C ATOM 1043 CD GLU A 62 17.873 -5.953 -17.797 1.00 30.54 C ATOM 1044 OE1 GLU A 62 18.150 -6.892 -18.572 1.00 75.13 O ATOM 1045 OE2 GLU A 62 18.198 -5.943 -16.591 1.00 13.23 O ATOM 0 H GLU A 62 14.492 -3.936 -19.681 1.00 2.54 H new ATOM 0 HA GLU A 62 15.543 -6.198 -21.049 1.00 32.30 H new ATOM 0 HB2 GLU A 62 17.591 -5.404 -20.329 1.00 60.10 H new ATOM 0 HB3 GLU A 62 16.635 -3.937 -20.260 1.00 60.10 H new ATOM 0 HG2 GLU A 62 17.697 -3.862 -18.211 1.00 51.24 H new ATOM 0 HG3 GLU A 62 16.188 -4.636 -17.771 1.00 51.24 H new ATOM 1052 N VAL A 63 14.804 -6.519 -17.867 1.00 15.32 N ATOM 1053 CA VAL A 63 14.635 -7.486 -16.789 1.00 73.11 C ATOM 1054 C VAL A 63 13.519 -8.475 -17.108 1.00 11.31 C ATOM 1055 O VAL A 63 13.634 -9.669 -16.830 1.00 22.14 O ATOM 1056 CB VAL A 63 14.321 -6.788 -15.452 1.00 71.24 C ATOM 1057 CG1 VAL A 63 15.483 -5.905 -15.025 1.00 42.23 C ATOM 1058 CG2 VAL A 63 13.038 -5.979 -15.563 1.00 13.41 C ATOM 0 H VAL A 63 14.451 -5.586 -17.655 1.00 15.32 H new ATOM 0 HA VAL A 63 15.578 -8.024 -16.696 1.00 73.11 H new ATOM 0 HB VAL A 63 14.177 -7.552 -14.688 1.00 71.24 H new ATOM 0 HG11 VAL A 63 15.243 -5.420 -14.079 1.00 42.23 H new ATOM 0 HG12 VAL A 63 16.378 -6.515 -14.903 1.00 42.23 H new ATOM 0 HG13 VAL A 63 15.662 -5.146 -15.786 1.00 42.23 H new ATOM 0 HG21 VAL A 63 12.831 -5.493 -14.610 1.00 13.41 H new ATOM 0 HG22 VAL A 63 13.151 -5.222 -16.340 1.00 13.41 H new ATOM 0 HG23 VAL A 63 12.211 -6.641 -15.819 1.00 13.41 H new ATOM 1068 N LEU A 64 12.439 -7.970 -17.694 1.00 34.23 N ATOM 1069 CA LEU A 64 11.300 -8.809 -18.052 1.00 21.11 C ATOM 1070 C LEU A 64 11.702 -9.864 -19.078 1.00 3.41 C ATOM 1071 O LEU A 64 11.348 -11.036 -18.950 1.00 15.40 O ATOM 1072 CB LEU A 64 10.163 -7.950 -18.606 1.00 55.40 C ATOM 1073 CG LEU A 64 8.882 -7.912 -17.771 1.00 40.41 C ATOM 1074 CD1 LEU A 64 9.213 -7.897 -16.287 1.00 11.22 C ATOM 1075 CD2 LEU A 64 8.038 -6.701 -18.143 1.00 64.15 C ATOM 0 H LEU A 64 12.328 -6.984 -17.931 1.00 34.23 H new ATOM 0 HA LEU A 64 10.957 -9.317 -17.151 1.00 21.11 H new ATOM 0 HB2 LEU A 64 10.528 -6.929 -18.721 1.00 55.40 H new ATOM 0 HB3 LEU A 64 9.913 -8.313 -19.603 1.00 55.40 H new ATOM 0 HG LEU A 64 8.305 -8.812 -17.985 1.00 40.41 H new ATOM 0 HD11 LEU A 64 8.290 -7.870 -15.709 1.00 11.22 H new ATOM 0 HD12 LEU A 64 9.776 -8.795 -16.031 1.00 11.22 H new ATOM 0 HD13 LEU A 64 9.811 -7.016 -16.057 1.00 11.22 H new ATOM 0 HD21 LEU A 64 7.131 -6.690 -17.539 1.00 64.15 H new ATOM 0 HD22 LEU A 64 8.607 -5.790 -17.958 1.00 64.15 H new ATOM 0 HD23 LEU A 64 7.771 -6.754 -19.198 1.00 64.15 H new ATOM 1087 N ASP A 65 12.446 -9.440 -20.094 1.00 10.23 N ATOM 1088 CA ASP A 65 12.900 -10.348 -21.140 1.00 73.14 C ATOM 1089 C ASP A 65 13.882 -11.374 -20.582 1.00 54.51 C ATOM 1090 O ASP A 65 13.800 -12.560 -20.896 1.00 30.22 O ATOM 1091 CB ASP A 65 13.555 -9.563 -22.278 1.00 31.11 C ATOM 1092 CG ASP A 65 12.954 -9.893 -23.630 1.00 61.11 C ATOM 1093 OD1 ASP A 65 13.044 -11.066 -24.050 1.00 24.14 O ATOM 1094 OD2 ASP A 65 12.393 -8.979 -24.269 1.00 10.43 O ATOM 0 H ASP A 65 12.747 -8.473 -20.215 1.00 10.23 H new ATOM 0 HA ASP A 65 12.030 -10.878 -21.528 1.00 73.14 H new ATOM 0 HB2 ASP A 65 13.448 -8.495 -22.087 1.00 31.11 H new ATOM 0 HB3 ASP A 65 14.623 -9.778 -22.296 1.00 31.11 H new ATOM 1099 N ASN A 66 14.810 -10.906 -19.754 1.00 31.34 N ATOM 1100 CA ASN A 66 15.809 -11.783 -19.153 1.00 11.43 C ATOM 1101 C ASN A 66 15.151 -12.807 -18.233 1.00 3.34 C ATOM 1102 O ASN A 66 15.459 -13.997 -18.292 1.00 73.23 O ATOM 1103 CB ASN A 66 16.834 -10.960 -18.369 1.00 33.10 C ATOM 1104 CG ASN A 66 17.974 -11.809 -17.841 1.00 43.21 C ATOM 1105 OD1 ASN A 66 18.709 -12.442 -18.748 1.00 60.44 O flip ATOM 1106 ND2 ASN A 66 18.192 -11.893 -16.632 1.00 21.21 N flip ATOM 0 H ASN A 66 14.891 -9.926 -19.484 1.00 31.34 H new ATOM 0 HA ASN A 66 16.318 -12.317 -19.955 1.00 11.43 H new ATOM 0 HB2 ASN A 66 17.235 -10.177 -19.012 1.00 33.10 H new ATOM 0 HB3 ASN A 66 16.337 -10.464 -17.535 1.00 33.10 H new ATOM 0 HD21 ASN A 66 17.601 -11.389 -15.971 1.00 21.21 H new ATOM 0 HD22 ASN A 66 18.964 -12.467 -16.292 1.00 21.21 H new ATOM 1113 N TRP A 67 14.246 -12.335 -17.384 1.00 35.13 N ATOM 1114 CA TRP A 67 13.544 -13.210 -16.451 1.00 52.12 C ATOM 1115 C TRP A 67 12.854 -14.351 -17.190 1.00 33.31 C ATOM 1116 O TRP A 67 13.022 -15.520 -16.841 1.00 51.12 O ATOM 1117 CB TRP A 67 12.517 -12.412 -15.646 1.00 73.20 C ATOM 1118 CG TRP A 67 13.132 -11.554 -14.583 1.00 2.04 C ATOM 1119 CD1 TRP A 67 14.243 -11.839 -13.840 1.00 53.25 C ATOM 1120 CD2 TRP A 67 12.671 -10.272 -14.142 1.00 35.41 C ATOM 1121 NE1 TRP A 67 14.499 -10.811 -12.965 1.00 22.42 N ATOM 1122 CE2 TRP A 67 13.550 -9.838 -13.131 1.00 33.14 C ATOM 1123 CE3 TRP A 67 11.602 -9.449 -14.504 1.00 54.44 C ATOM 1124 CZ2 TRP A 67 13.390 -8.618 -12.479 1.00 51.02 C ATOM 1125 CZ3 TRP A 67 11.444 -8.238 -13.857 1.00 22.12 C ATOM 1126 CH2 TRP A 67 12.335 -7.832 -12.854 1.00 54.51 C ATOM 0 H TRP A 67 13.981 -11.352 -17.322 1.00 35.13 H new ATOM 0 HA TRP A 67 14.279 -13.636 -15.768 1.00 52.12 H new ATOM 0 HB2 TRP A 67 11.944 -11.781 -16.326 1.00 73.20 H new ATOM 0 HB3 TRP A 67 11.813 -13.103 -15.183 1.00 73.20 H new ATOM 0 HD1 TRP A 67 14.833 -12.739 -13.928 1.00 53.25 H new ATOM 0 HE1 TRP A 67 15.271 -10.778 -12.299 1.00 22.42 H new ATOM 0 HE3 TRP A 67 10.911 -9.754 -15.276 1.00 54.44 H new ATOM 0 HZ2 TRP A 67 14.074 -8.304 -11.705 1.00 51.02 H new ATOM 0 HZ3 TRP A 67 10.621 -7.594 -14.129 1.00 22.12 H new ATOM 0 HH2 TRP A 67 12.186 -6.879 -12.367 1.00 54.51 H new ATOM 1137 N ARG A 68 12.077 -14.005 -18.211 1.00 61.44 N ATOM 1138 CA ARG A 68 11.361 -15.002 -18.998 1.00 71.04 C ATOM 1139 C ARG A 68 12.335 -15.958 -19.681 1.00 33.33 C ATOM 1140 O ARG A 68 11.973 -17.081 -20.031 1.00 24.33 O ATOM 1141 CB ARG A 68 10.481 -14.319 -20.047 1.00 1.10 C ATOM 1142 CG ARG A 68 11.147 -14.184 -21.407 1.00 21.44 C ATOM 1143 CD ARG A 68 10.657 -12.950 -22.147 1.00 40.12 C ATOM 1144 NE ARG A 68 9.627 -13.275 -23.131 1.00 4.42 N ATOM 1145 CZ ARG A 68 9.867 -13.948 -24.251 1.00 0.24 C ATOM 1146 NH1 ARG A 68 11.095 -14.366 -24.527 1.00 15.11 N ATOM 1147 NH2 ARG A 68 8.877 -14.205 -25.096 1.00 44.44 N ATOM 0 H ARG A 68 11.927 -13.042 -18.513 1.00 61.44 H new ATOM 0 HA ARG A 68 10.729 -15.577 -18.321 1.00 71.04 H new ATOM 0 HB2 ARG A 68 9.557 -14.887 -20.159 1.00 1.10 H new ATOM 0 HB3 ARG A 68 10.205 -13.328 -19.687 1.00 1.10 H new ATOM 0 HG2 ARG A 68 12.228 -14.128 -21.280 1.00 21.44 H new ATOM 0 HG3 ARG A 68 10.942 -15.073 -22.004 1.00 21.44 H new ATOM 0 HD2 ARG A 68 10.260 -12.231 -21.430 1.00 40.12 H new ATOM 0 HD3 ARG A 68 11.498 -12.470 -22.647 1.00 40.12 H new ATOM 0 HE ARG A 68 8.672 -12.968 -22.948 1.00 4.42 H new ATOM 0 HH11 ARG A 68 11.858 -14.171 -23.879 1.00 15.11 H new ATOM 0 HH12 ARG A 68 11.277 -14.883 -25.388 1.00 15.11 H new ATOM 0 HH21 ARG A 68 7.931 -13.886 -24.886 1.00 44.44 H new ATOM 0 HH22 ARG A 68 9.062 -14.722 -25.956 1.00 44.44 H new ATOM 1161 N GLU A 69 13.570 -15.504 -19.867 1.00 1.15 N ATOM 1162 CA GLU A 69 14.595 -16.319 -20.508 1.00 73.13 C ATOM 1163 C GLU A 69 15.092 -17.410 -19.564 1.00 62.13 C ATOM 1164 O GLU A 69 15.432 -18.513 -19.996 1.00 14.24 O ATOM 1165 CB GLU A 69 15.767 -15.444 -20.957 1.00 61.21 C ATOM 1166 CG GLU A 69 17.055 -15.716 -20.198 1.00 11.22 C ATOM 1167 CD GLU A 69 18.192 -14.815 -20.638 1.00 4.35 C ATOM 1168 OE1 GLU A 69 18.009 -14.065 -21.619 1.00 70.04 O ATOM 1169 OE2 GLU A 69 19.265 -14.859 -20.001 1.00 25.24 O ATOM 0 H GLU A 69 13.885 -14.576 -19.583 1.00 1.15 H new ATOM 0 HA GLU A 69 14.151 -16.794 -21.382 1.00 73.13 H new ATOM 0 HB2 GLU A 69 15.942 -15.603 -22.021 1.00 61.21 H new ATOM 0 HB3 GLU A 69 15.496 -14.396 -20.832 1.00 61.21 H new ATOM 0 HG2 GLU A 69 16.880 -15.579 -19.131 1.00 11.22 H new ATOM 0 HG3 GLU A 69 17.344 -16.757 -20.342 1.00 11.22 H new ATOM 1176 N LEU A 70 15.133 -17.094 -18.275 1.00 24.54 N ATOM 1177 CA LEU A 70 15.590 -18.047 -17.268 1.00 52.31 C ATOM 1178 C LEU A 70 14.525 -19.104 -16.997 1.00 32.44 C ATOM 1179 O LEU A 70 14.828 -20.293 -16.903 1.00 34.30 O ATOM 1180 CB LEU A 70 15.943 -17.317 -15.971 1.00 30.43 C ATOM 1181 CG LEU A 70 16.686 -15.990 -16.128 1.00 30.24 C ATOM 1182 CD1 LEU A 70 16.223 -14.992 -15.078 1.00 23.03 C ATOM 1183 CD2 LEU A 70 18.189 -16.206 -16.035 1.00 24.44 C ATOM 0 H LEU A 70 14.856 -16.186 -17.902 1.00 24.54 H new ATOM 0 HA LEU A 70 16.481 -18.545 -17.651 1.00 52.31 H new ATOM 0 HB2 LEU A 70 15.021 -17.131 -15.420 1.00 30.43 H new ATOM 0 HB3 LEU A 70 16.552 -17.981 -15.358 1.00 30.43 H new ATOM 0 HG LEU A 70 16.458 -15.582 -17.113 1.00 30.24 H new ATOM 0 HD11 LEU A 70 16.763 -14.053 -15.205 1.00 23.03 H new ATOM 0 HD12 LEU A 70 15.154 -14.814 -15.192 1.00 23.03 H new ATOM 0 HD13 LEU A 70 16.420 -15.392 -14.084 1.00 23.03 H new ATOM 0 HD21 LEU A 70 18.702 -15.251 -16.149 1.00 24.44 H new ATOM 0 HD22 LEU A 70 18.435 -16.637 -15.064 1.00 24.44 H new ATOM 0 HD23 LEU A 70 18.508 -16.886 -16.825 1.00 24.44 H new ATOM 1195 N GLU A 71 13.277 -18.663 -16.873 1.00 40.53 N ATOM 1196 CA GLU A 71 12.167 -19.572 -16.614 1.00 63.31 C ATOM 1197 C GLU A 71 11.923 -20.487 -17.811 1.00 13.12 C ATOM 1198 O GLU A 71 11.444 -21.610 -17.659 1.00 30.40 O ATOM 1199 CB GLU A 71 10.896 -18.783 -16.293 1.00 62.30 C ATOM 1200 CG GLU A 71 10.189 -18.241 -17.524 1.00 30.41 C ATOM 1201 CD GLU A 71 9.124 -19.186 -18.048 1.00 4.41 C ATOM 1202 OE1 GLU A 71 8.482 -19.872 -17.226 1.00 3.32 O ATOM 1203 OE2 GLU A 71 8.934 -19.238 -19.281 1.00 55.41 O ATOM 0 H GLU A 71 13.010 -17.682 -16.948 1.00 40.53 H new ATOM 0 HA GLU A 71 12.429 -20.189 -15.754 1.00 63.31 H new ATOM 0 HB2 GLU A 71 10.209 -19.426 -15.743 1.00 62.30 H new ATOM 0 HB3 GLU A 71 11.151 -17.952 -15.635 1.00 62.30 H new ATOM 0 HG2 GLU A 71 9.731 -17.282 -17.283 1.00 30.41 H new ATOM 0 HG3 GLU A 71 10.923 -18.056 -18.308 1.00 30.41 H new ATOM 1210 N MET A 72 12.254 -19.996 -19.001 1.00 25.34 N ATOM 1211 CA MET A 72 12.072 -20.769 -20.224 1.00 34.34 C ATOM 1212 C MET A 72 13.301 -21.625 -20.515 1.00 15.30 C ATOM 1213 O MET A 72 13.244 -22.558 -21.316 1.00 24.22 O ATOM 1214 CB MET A 72 11.793 -19.837 -21.404 1.00 73.44 C ATOM 1215 CG MET A 72 13.047 -19.218 -21.999 1.00 60.22 C ATOM 1216 SD MET A 72 12.689 -18.113 -23.378 1.00 62.13 S ATOM 1217 CE MET A 72 13.883 -18.682 -24.587 1.00 33.14 C ATOM 0 H MET A 72 12.649 -19.067 -19.144 1.00 25.34 H new ATOM 0 HA MET A 72 11.217 -21.430 -20.083 1.00 34.34 H new ATOM 0 HB2 MET A 72 11.269 -20.394 -22.181 1.00 73.44 H new ATOM 0 HB3 MET A 72 11.124 -19.041 -21.077 1.00 73.44 H new ATOM 0 HG2 MET A 72 13.578 -18.665 -21.224 1.00 60.22 H new ATOM 0 HG3 MET A 72 13.714 -20.011 -22.338 1.00 60.22 H new ATOM 0 HE1 MET A 72 13.786 -18.093 -25.499 1.00 33.14 H new ATOM 0 HE2 MET A 72 14.890 -18.566 -24.186 1.00 33.14 H new ATOM 0 HE3 MET A 72 13.700 -19.733 -24.812 1.00 33.14 H new ATOM 1227 N LYS A 73 14.410 -21.300 -19.860 1.00 63.34 N ATOM 1228 CA LYS A 73 15.653 -22.039 -20.048 1.00 4.11 C ATOM 1229 C LYS A 73 15.759 -23.189 -19.051 1.00 53.23 C ATOM 1230 O LYS A 73 16.588 -24.085 -19.208 1.00 54.34 O ATOM 1231 CB LYS A 73 16.855 -21.104 -19.893 1.00 12.35 C ATOM 1232 CG LYS A 73 17.325 -20.495 -21.202 1.00 52.51 C ATOM 1233 CD LYS A 73 18.807 -20.738 -21.430 1.00 3.41 C ATOM 1234 CE LYS A 73 19.661 -19.895 -20.494 1.00 55.24 C ATOM 1235 NZ LYS A 73 19.589 -18.446 -20.832 1.00 73.22 N ATOM 0 H LYS A 73 14.474 -20.530 -19.194 1.00 63.34 H new ATOM 0 HA LYS A 73 15.650 -22.454 -21.056 1.00 4.11 H new ATOM 0 HB2 LYS A 73 16.594 -20.302 -19.202 1.00 12.35 H new ATOM 0 HB3 LYS A 73 17.679 -21.657 -19.443 1.00 12.35 H new ATOM 0 HG2 LYS A 73 16.754 -20.920 -22.028 1.00 52.51 H new ATOM 0 HG3 LYS A 73 17.128 -19.423 -21.197 1.00 52.51 H new ATOM 0 HD2 LYS A 73 19.031 -21.794 -21.277 1.00 3.41 H new ATOM 0 HD3 LYS A 73 19.060 -20.505 -22.464 1.00 3.41 H new ATOM 0 HE2 LYS A 73 19.330 -20.045 -19.466 1.00 55.24 H new ATOM 0 HE3 LYS A 73 20.697 -20.229 -20.547 1.00 55.24 H new ATOM 0 HZ1 LYS A 73 20.549 -18.076 -20.983 1.00 73.22 H new ATOM 0 HZ2 LYS A 73 19.029 -18.319 -21.699 1.00 73.22 H new ATOM 0 HZ3 LYS A 73 19.138 -17.929 -20.050 1.00 73.22 H new ATOM 1249 N ALA A 74 14.912 -23.158 -18.027 1.00 44.50 N ATOM 1250 CA ALA A 74 14.908 -24.199 -17.007 1.00 64.03 C ATOM 1251 C ALA A 74 14.283 -25.485 -17.538 1.00 43.42 C ATOM 1252 O ALA A 74 14.171 -26.476 -16.816 1.00 41.53 O ATOM 1253 CB ALA A 74 14.166 -23.721 -15.768 1.00 61.50 C ATOM 0 H ALA A 74 14.220 -22.423 -17.882 1.00 44.50 H new ATOM 0 HA ALA A 74 15.942 -24.413 -16.737 1.00 64.03 H new ATOM 0 HB1 ALA A 74 14.171 -24.509 -15.015 1.00 61.50 H new ATOM 0 HB2 ALA A 74 14.658 -22.834 -15.369 1.00 61.50 H new ATOM 0 HB3 ALA A 74 13.137 -23.477 -16.032 1.00 61.50 H new ATOM 1259 N ARG A 75 13.877 -25.461 -18.803 1.00 62.14 N ATOM 1260 CA ARG A 75 13.261 -26.625 -19.430 1.00 4.31 C ATOM 1261 C ARG A 75 12.153 -27.194 -18.549 1.00 11.41 C ATOM 1262 O ARG A 75 11.951 -28.407 -18.491 1.00 44.25 O ATOM 1263 CB ARG A 75 14.314 -27.701 -19.702 1.00 40.21 C ATOM 1264 CG ARG A 75 15.213 -27.387 -20.887 1.00 20.50 C ATOM 1265 CD ARG A 75 16.253 -28.476 -21.100 1.00 5.20 C ATOM 1266 NE ARG A 75 17.440 -27.972 -21.787 1.00 74.22 N ATOM 1267 CZ ARG A 75 18.498 -28.723 -22.073 1.00 13.21 C ATOM 1268 NH1 ARG A 75 18.517 -30.004 -21.733 1.00 30.13 N ATOM 1269 NH2 ARG A 75 19.539 -28.192 -22.701 1.00 2.14 N ATOM 0 H ARG A 75 13.963 -24.649 -19.414 1.00 62.14 H new ATOM 0 HA ARG A 75 12.823 -26.308 -20.376 1.00 4.31 H new ATOM 0 HB2 ARG A 75 14.931 -27.827 -18.812 1.00 40.21 H new ATOM 0 HB3 ARG A 75 13.812 -28.652 -19.879 1.00 40.21 H new ATOM 0 HG2 ARG A 75 14.607 -27.280 -21.787 1.00 20.50 H new ATOM 0 HG3 ARG A 75 15.712 -26.432 -20.723 1.00 20.50 H new ATOM 0 HD2 ARG A 75 16.542 -28.895 -20.136 1.00 5.20 H new ATOM 0 HD3 ARG A 75 15.815 -29.287 -21.681 1.00 5.20 H new ATOM 0 HE ARG A 75 17.457 -26.990 -22.062 1.00 74.22 H new ATOM 0 HH11 ARG A 75 17.718 -30.416 -21.251 1.00 30.13 H new ATOM 0 HH12 ARG A 75 19.331 -30.578 -21.954 1.00 30.13 H new ATOM 0 HH21 ARG A 75 19.527 -27.207 -22.964 1.00 2.14 H new ATOM 0 HH22 ARG A 75 20.351 -28.769 -22.920 1.00 2.14 H new ATOM 1283 N LYS A 76 11.437 -26.309 -17.863 1.00 72.10 N ATOM 1284 CA LYS A 76 10.348 -26.721 -16.985 1.00 61.31 C ATOM 1285 C LYS A 76 9.603 -25.509 -16.437 1.00 12.25 C ATOM 1286 O LYS A 76 10.120 -24.392 -16.451 1.00 2.25 O ATOM 1287 CB LYS A 76 10.889 -27.566 -15.830 1.00 24.24 C ATOM 1288 CG LYS A 76 9.942 -28.667 -15.385 1.00 52.10 C ATOM 1289 CD LYS A 76 9.862 -29.783 -16.413 1.00 50.12 C ATOM 1290 CE LYS A 76 10.957 -30.817 -16.200 1.00 11.14 C ATOM 1291 NZ LYS A 76 10.582 -32.145 -16.758 1.00 73.40 N ATOM 0 H LYS A 76 11.592 -25.301 -17.898 1.00 72.10 H new ATOM 0 HA LYS A 76 9.650 -27.320 -17.570 1.00 61.31 H new ATOM 0 HB2 LYS A 76 11.836 -28.013 -16.131 1.00 24.24 H new ATOM 0 HB3 LYS A 76 11.099 -26.914 -14.982 1.00 24.24 H new ATOM 0 HG2 LYS A 76 10.278 -29.073 -14.431 1.00 52.10 H new ATOM 0 HG3 LYS A 76 8.948 -28.250 -15.222 1.00 52.10 H new ATOM 0 HD2 LYS A 76 8.887 -30.266 -16.352 1.00 50.12 H new ATOM 0 HD3 LYS A 76 9.947 -29.363 -17.415 1.00 50.12 H new ATOM 0 HE2 LYS A 76 11.878 -30.473 -16.670 1.00 11.14 H new ATOM 0 HE3 LYS A 76 11.161 -30.916 -15.134 1.00 11.14 H new ATOM 0 HZ1 LYS A 76 11.354 -32.822 -16.593 1.00 73.40 H new ATOM 0 HZ2 LYS A 76 9.717 -32.486 -16.292 1.00 73.40 H new ATOM 0 HZ3 LYS A 76 10.412 -32.057 -17.780 1.00 73.40 H new ATOM 1305 N ARG A 77 8.386 -25.737 -15.953 1.00 0.21 N ATOM 1306 CA ARG A 77 7.570 -24.663 -15.399 1.00 42.34 C ATOM 1307 C ARG A 77 7.575 -24.707 -13.874 1.00 72.32 C ATOM 1308 O ARG A 77 6.741 -25.373 -13.259 1.00 55.03 O ATOM 1309 CB ARG A 77 6.135 -24.764 -15.919 1.00 30.11 C ATOM 1310 CG ARG A 77 5.917 -24.061 -17.249 1.00 4.33 C ATOM 1311 CD ARG A 77 4.475 -23.607 -17.409 1.00 40.42 C ATOM 1312 NE ARG A 77 4.211 -23.087 -18.748 1.00 74.34 N ATOM 1313 CZ ARG A 77 3.126 -22.389 -19.065 1.00 32.02 C ATOM 1314 NH1 ARG A 77 2.209 -22.128 -18.143 1.00 4.40 N ATOM 1315 NH2 ARG A 77 2.956 -21.950 -20.306 1.00 22.34 N ATOM 0 H ARG A 77 7.944 -26.656 -15.933 1.00 0.21 H new ATOM 0 HA ARG A 77 7.999 -23.713 -15.719 1.00 42.34 H new ATOM 0 HB2 ARG A 77 5.870 -25.816 -16.026 1.00 30.11 H new ATOM 0 HB3 ARG A 77 5.458 -24.339 -15.178 1.00 30.11 H new ATOM 0 HG2 ARG A 77 6.581 -23.199 -17.319 1.00 4.33 H new ATOM 0 HG3 ARG A 77 6.180 -24.734 -18.065 1.00 4.33 H new ATOM 0 HD2 ARG A 77 3.807 -24.444 -17.207 1.00 40.42 H new ATOM 0 HD3 ARG A 77 4.253 -22.837 -16.671 1.00 40.42 H new ATOM 0 HE ARG A 77 4.897 -23.270 -19.480 1.00 74.34 H new ATOM 0 HH11 ARG A 77 2.336 -22.463 -17.188 1.00 4.40 H new ATOM 0 HH12 ARG A 77 1.377 -21.592 -18.389 1.00 4.40 H new ATOM 0 HH21 ARG A 77 3.659 -22.148 -21.018 1.00 22.34 H new ATOM 0 HH22 ARG A 77 2.122 -21.414 -20.548 1.00 22.34 H new ATOM 1329 N LEU A 78 8.519 -23.995 -13.270 1.00 25.43 N ATOM 1330 CA LEU A 78 8.634 -23.954 -11.816 1.00 15.51 C ATOM 1331 C LEU A 78 7.312 -23.539 -11.178 1.00 34.03 C ATOM 1332 O LEU A 78 6.426 -22.986 -11.830 1.00 34.12 O ATOM 1333 CB LEU A 78 9.740 -22.983 -11.399 1.00 64.52 C ATOM 1334 CG LEU A 78 11.128 -23.594 -11.198 1.00 34.41 C ATOM 1335 CD1 LEU A 78 11.485 -24.502 -12.364 1.00 64.52 C ATOM 1336 CD2 LEU A 78 12.173 -22.501 -11.031 1.00 32.13 C ATOM 0 H LEU A 78 9.216 -23.438 -13.764 1.00 25.43 H new ATOM 0 HA LEU A 78 8.887 -24.955 -11.468 1.00 15.51 H new ATOM 0 HB2 LEU A 78 9.815 -22.202 -12.156 1.00 64.52 H new ATOM 0 HB3 LEU A 78 9.440 -22.499 -10.470 1.00 64.52 H new ATOM 0 HG LEU A 78 11.111 -24.194 -10.288 1.00 34.41 H new ATOM 0 HD11 LEU A 78 12.476 -24.928 -12.204 1.00 64.52 H new ATOM 0 HD12 LEU A 78 10.752 -25.306 -12.437 1.00 64.52 H new ATOM 0 HD13 LEU A 78 11.484 -23.925 -13.289 1.00 64.52 H new ATOM 0 HD21 LEU A 78 13.154 -22.954 -10.889 1.00 32.13 H new ATOM 0 HD22 LEU A 78 12.189 -21.873 -11.922 1.00 32.13 H new ATOM 0 HD23 LEU A 78 11.926 -21.891 -10.162 1.00 32.13 H new ATOM 1348 N PRO A 79 7.174 -23.810 -9.871 1.00 44.41 N ATOM 1349 CA PRO A 79 5.965 -23.471 -9.115 1.00 40.33 C ATOM 1350 C PRO A 79 5.805 -21.967 -8.921 1.00 4.32 C ATOM 1351 O PRO A 79 4.729 -21.411 -9.146 1.00 24.32 O ATOM 1352 CB PRO A 79 6.183 -24.164 -7.768 1.00 51.10 C ATOM 1353 CG PRO A 79 7.662 -24.278 -7.636 1.00 3.05 C ATOM 1354 CD PRO A 79 8.190 -24.467 -9.031 1.00 53.40 C ATOM 0 HA PRO A 79 5.059 -23.788 -9.631 1.00 40.33 H new ATOM 0 HB2 PRO A 79 5.756 -23.583 -6.950 1.00 51.10 H new ATOM 0 HB3 PRO A 79 5.707 -25.144 -7.745 1.00 51.10 H new ATOM 0 HG2 PRO A 79 8.083 -23.383 -7.178 1.00 3.05 H new ATOM 0 HG3 PRO A 79 7.933 -25.120 -6.999 1.00 3.05 H new ATOM 0 HD2 PRO A 79 9.171 -24.009 -9.155 1.00 53.40 H new ATOM 0 HD3 PRO A 79 8.297 -25.523 -9.281 1.00 53.40 H new ATOM 1362 N THR A 80 6.883 -21.311 -8.502 1.00 2.05 N ATOM 1363 CA THR A 80 6.862 -19.871 -8.276 1.00 64.31 C ATOM 1364 C THR A 80 7.275 -19.112 -9.532 1.00 71.10 C ATOM 1365 O THR A 80 7.925 -19.665 -10.420 1.00 24.25 O ATOM 1366 CB THR A 80 7.795 -19.470 -7.118 1.00 25.40 C ATOM 1367 OG1 THR A 80 7.794 -18.047 -6.957 1.00 73.55 O ATOM 1368 CG2 THR A 80 9.215 -19.955 -7.374 1.00 35.23 C ATOM 0 H THR A 80 7.782 -21.754 -8.312 1.00 2.05 H new ATOM 0 HA THR A 80 5.837 -19.607 -8.015 1.00 64.31 H new ATOM 0 HB THR A 80 7.426 -19.939 -6.206 1.00 25.40 H new ATOM 0 HG1 THR A 80 8.388 -17.801 -6.218 1.00 73.55 H new ATOM 0 HG21 THR A 80 9.856 -19.660 -6.543 1.00 35.23 H new ATOM 0 HG22 THR A 80 9.217 -21.041 -7.466 1.00 35.23 H new ATOM 0 HG23 THR A 80 9.590 -19.512 -8.296 1.00 35.23 H new ATOM 1376 N THR A 81 6.893 -17.840 -9.602 1.00 25.45 N ATOM 1377 CA THR A 81 7.223 -17.005 -10.749 1.00 65.13 C ATOM 1378 C THR A 81 8.101 -15.828 -10.339 1.00 32.14 C ATOM 1379 O THR A 81 8.306 -14.893 -11.114 1.00 64.41 O ATOM 1380 CB THR A 81 5.954 -16.469 -11.437 1.00 51.14 C ATOM 1381 OG1 THR A 81 4.958 -17.496 -11.496 1.00 52.15 O ATOM 1382 CG2 THR A 81 6.267 -15.977 -12.843 1.00 33.34 C ATOM 0 H THR A 81 6.354 -17.366 -8.877 1.00 25.45 H new ATOM 0 HA THR A 81 7.770 -17.635 -11.451 1.00 65.13 H new ATOM 0 HB THR A 81 5.576 -15.631 -10.852 1.00 51.14 H new ATOM 0 HG1 THR A 81 4.154 -17.147 -11.933 1.00 52.15 H new ATOM 0 HG21 THR A 81 5.355 -15.603 -13.309 1.00 33.34 H new ATOM 0 HG22 THR A 81 7.004 -15.175 -12.792 1.00 33.34 H new ATOM 0 HG23 THR A 81 6.666 -16.800 -13.436 1.00 33.34 H new ATOM 1390 N LEU A 82 8.617 -15.879 -9.116 1.00 33.44 N ATOM 1391 CA LEU A 82 9.474 -14.817 -8.602 1.00 11.34 C ATOM 1392 C LEU A 82 10.825 -15.371 -8.163 1.00 23.52 C ATOM 1393 O LEU A 82 11.149 -15.380 -6.975 1.00 12.42 O ATOM 1394 CB LEU A 82 8.795 -14.110 -7.428 1.00 14.54 C ATOM 1395 CG LEU A 82 7.571 -13.260 -7.773 1.00 32.22 C ATOM 1396 CD1 LEU A 82 6.965 -12.660 -6.513 1.00 70.35 C ATOM 1397 CD2 LEU A 82 7.943 -12.165 -8.762 1.00 24.15 C ATOM 0 H LEU A 82 8.457 -16.645 -8.462 1.00 33.44 H new ATOM 0 HA LEU A 82 9.640 -14.098 -9.405 1.00 11.34 H new ATOM 0 HB2 LEU A 82 8.495 -14.864 -6.700 1.00 14.54 H new ATOM 0 HB3 LEU A 82 9.531 -13.471 -6.940 1.00 14.54 H new ATOM 0 HG LEU A 82 6.825 -13.904 -8.239 1.00 32.22 H new ATOM 0 HD11 LEU A 82 6.095 -12.059 -6.778 1.00 70.35 H new ATOM 0 HD12 LEU A 82 6.661 -13.461 -5.839 1.00 70.35 H new ATOM 0 HD13 LEU A 82 7.704 -12.030 -6.018 1.00 70.35 H new ATOM 0 HD21 LEU A 82 7.060 -11.570 -8.996 1.00 24.15 H new ATOM 0 HD22 LEU A 82 8.707 -11.523 -8.324 1.00 24.15 H new ATOM 0 HD23 LEU A 82 8.329 -12.616 -9.676 1.00 24.15 H new ATOM 1409 N PHE A 83 11.612 -15.833 -9.129 1.00 51.25 N ATOM 1410 CA PHE A 83 12.929 -16.388 -8.843 1.00 65.33 C ATOM 1411 C PHE A 83 13.984 -15.794 -9.772 1.00 52.34 C ATOM 1412 O PHE A 83 13.657 -15.118 -10.749 1.00 24.25 O ATOM 1413 CB PHE A 83 12.907 -17.911 -8.988 1.00 35.31 C ATOM 1414 CG PHE A 83 12.385 -18.380 -10.316 1.00 52.42 C ATOM 1415 CD1 PHE A 83 13.093 -18.130 -11.481 1.00 31.14 C ATOM 1416 CD2 PHE A 83 11.186 -19.069 -10.400 1.00 53.14 C ATOM 1417 CE1 PHE A 83 12.616 -18.560 -12.705 1.00 12.14 C ATOM 1418 CE2 PHE A 83 10.704 -19.502 -11.621 1.00 51.44 C ATOM 1419 CZ PHE A 83 11.419 -19.246 -12.775 1.00 41.30 C ATOM 0 H PHE A 83 11.360 -15.834 -10.117 1.00 51.25 H new ATOM 0 HA PHE A 83 13.188 -16.131 -7.816 1.00 65.33 H new ATOM 0 HB2 PHE A 83 13.917 -18.296 -8.847 1.00 35.31 H new ATOM 0 HB3 PHE A 83 12.291 -18.335 -8.195 1.00 35.31 H new ATOM 0 HD1 PHE A 83 14.029 -17.593 -11.432 1.00 31.14 H new ATOM 0 HD2 PHE A 83 10.622 -19.270 -9.501 1.00 53.14 H new ATOM 0 HE1 PHE A 83 13.178 -18.360 -13.605 1.00 12.14 H new ATOM 0 HE2 PHE A 83 9.769 -20.040 -11.673 1.00 51.44 H new ATOM 0 HZ PHE A 83 11.043 -19.582 -13.730 1.00 41.30 H new ATOM 1429 N PHE A 84 15.250 -16.050 -9.461 1.00 1.30 N ATOM 1430 CA PHE A 84 16.354 -15.539 -10.266 1.00 74.21 C ATOM 1431 C PHE A 84 17.495 -16.550 -10.328 1.00 1.04 C ATOM 1432 O PHE A 84 17.451 -17.592 -9.673 1.00 4.12 O ATOM 1433 CB PHE A 84 16.861 -14.214 -9.693 1.00 31.42 C ATOM 1434 CG PHE A 84 17.520 -14.355 -8.351 1.00 22.34 C ATOM 1435 CD1 PHE A 84 18.737 -15.006 -8.227 1.00 5.31 C ATOM 1436 CD2 PHE A 84 16.923 -13.837 -7.213 1.00 22.12 C ATOM 1437 CE1 PHE A 84 19.346 -15.137 -6.993 1.00 32.40 C ATOM 1438 CE2 PHE A 84 17.527 -13.965 -5.976 1.00 61.41 C ATOM 1439 CZ PHE A 84 18.741 -14.616 -5.866 1.00 54.54 C ATOM 0 H PHE A 84 15.537 -16.608 -8.657 1.00 1.30 H new ATOM 0 HA PHE A 84 15.986 -15.371 -11.278 1.00 74.21 H new ATOM 0 HB2 PHE A 84 17.571 -13.772 -10.393 1.00 31.42 H new ATOM 0 HB3 PHE A 84 16.024 -13.521 -9.607 1.00 31.42 H new ATOM 0 HD1 PHE A 84 19.215 -15.416 -9.104 1.00 5.31 H new ATOM 0 HD2 PHE A 84 15.974 -13.327 -7.293 1.00 22.12 H new ATOM 0 HE1 PHE A 84 20.295 -15.647 -6.910 1.00 32.40 H new ATOM 0 HE2 PHE A 84 17.051 -13.557 -5.097 1.00 61.41 H new ATOM 0 HZ PHE A 84 19.216 -14.717 -4.901 1.00 54.54 H new ATOM 1449 N ILE A 85 18.515 -16.234 -11.119 1.00 74.41 N ATOM 1450 CA ILE A 85 19.668 -17.114 -11.266 1.00 54.00 C ATOM 1451 C ILE A 85 20.880 -16.559 -10.527 1.00 45.52 C ATOM 1452 O ILE A 85 21.043 -15.345 -10.407 1.00 4.12 O ATOM 1453 CB ILE A 85 20.033 -17.320 -12.748 1.00 3.11 C ATOM 1454 CG1 ILE A 85 20.470 -15.995 -13.377 1.00 25.33 C ATOM 1455 CG2 ILE A 85 18.854 -17.909 -13.507 1.00 62.54 C ATOM 1456 CD1 ILE A 85 21.092 -16.153 -14.747 1.00 14.11 C ATOM 0 H ILE A 85 18.566 -15.376 -11.668 1.00 74.41 H new ATOM 0 HA ILE A 85 19.390 -18.075 -10.832 1.00 54.00 H new ATOM 0 HB ILE A 85 20.865 -18.021 -12.808 1.00 3.11 H new ATOM 0 HG12 ILE A 85 19.605 -15.336 -13.453 1.00 25.33 H new ATOM 0 HG13 ILE A 85 21.186 -15.507 -12.716 1.00 25.33 H new ATOM 0 HG21 ILE A 85 19.128 -18.049 -14.553 1.00 62.54 H new ATOM 0 HG22 ILE A 85 18.584 -18.871 -13.071 1.00 62.54 H new ATOM 0 HG23 ILE A 85 18.004 -17.230 -13.442 1.00 62.54 H new ATOM 0 HD11 ILE A 85 21.378 -15.174 -15.132 1.00 14.11 H new ATOM 0 HD12 ILE A 85 21.976 -16.786 -14.674 1.00 14.11 H new ATOM 0 HD13 ILE A 85 20.371 -16.612 -15.423 1.00 14.11 H new ATOM 1468 N GLU A 86 21.729 -17.456 -10.036 1.00 4.10 N ATOM 1469 CA GLU A 86 22.929 -17.055 -9.310 1.00 15.53 C ATOM 1470 C GLU A 86 23.788 -16.118 -10.154 1.00 21.10 C ATOM 1471 O GLU A 86 24.506 -15.269 -9.625 1.00 24.01 O ATOM 1472 CB GLU A 86 23.742 -18.285 -8.905 1.00 24.42 C ATOM 1473 CG GLU A 86 24.955 -17.959 -8.049 1.00 50.24 C ATOM 1474 CD GLU A 86 24.983 -18.745 -6.753 1.00 43.01 C ATOM 1475 OE1 GLU A 86 24.186 -18.425 -5.847 1.00 72.31 O ATOM 1476 OE2 GLU A 86 25.804 -19.681 -6.645 1.00 54.43 O ATOM 0 H GLU A 86 21.609 -18.465 -10.127 1.00 4.10 H new ATOM 0 HA GLU A 86 22.618 -16.523 -8.411 1.00 15.53 H new ATOM 0 HB2 GLU A 86 23.097 -18.973 -8.359 1.00 24.42 H new ATOM 0 HB3 GLU A 86 24.072 -18.804 -9.805 1.00 24.42 H new ATOM 0 HG2 GLU A 86 25.862 -18.168 -8.616 1.00 50.24 H new ATOM 0 HG3 GLU A 86 24.959 -16.893 -7.823 1.00 50.24 H new ATOM 1483 N THR A 87 23.710 -16.279 -11.471 1.00 70.14 N ATOM 1484 CA THR A 87 24.481 -15.451 -12.390 1.00 11.33 C ATOM 1485 C THR A 87 23.875 -14.057 -12.514 1.00 61.40 C ATOM 1486 O THR A 87 24.447 -13.177 -13.157 1.00 12.33 O ATOM 1487 CB THR A 87 24.562 -16.089 -13.789 1.00 64.40 C ATOM 1488 OG1 THR A 87 23.803 -17.303 -13.819 1.00 12.04 O ATOM 1489 CG2 THR A 87 26.007 -16.380 -14.168 1.00 53.10 C ATOM 0 H THR A 87 23.120 -16.976 -11.926 1.00 70.14 H new ATOM 0 HA THR A 87 25.486 -15.372 -11.976 1.00 11.33 H new ATOM 0 HB THR A 87 24.148 -15.384 -14.510 1.00 64.40 H new ATOM 0 HG1 THR A 87 23.858 -17.701 -14.713 1.00 12.04 H new ATOM 0 HG21 THR A 87 26.039 -16.830 -15.160 1.00 53.10 H new ATOM 0 HG22 THR A 87 26.576 -15.450 -14.173 1.00 53.10 H new ATOM 0 HG23 THR A 87 26.442 -17.068 -13.443 1.00 53.10 H new ATOM 1497 N ASP A 88 22.716 -13.864 -11.895 1.00 32.30 N ATOM 1498 CA ASP A 88 22.033 -12.576 -11.935 1.00 31.30 C ATOM 1499 C ASP A 88 22.357 -11.751 -10.694 1.00 0.32 C ATOM 1500 O ASP A 88 22.035 -10.564 -10.624 1.00 63.15 O ATOM 1501 CB ASP A 88 20.521 -12.780 -12.047 1.00 2.30 C ATOM 1502 CG ASP A 88 19.985 -12.394 -13.411 1.00 55.52 C ATOM 1503 OD1 ASP A 88 20.766 -12.420 -14.386 1.00 14.44 O ATOM 1504 OD2 ASP A 88 18.783 -12.066 -13.505 1.00 3.02 O ATOM 0 H ASP A 88 22.229 -14.583 -11.359 1.00 32.30 H new ATOM 0 HA ASP A 88 22.384 -12.033 -12.812 1.00 31.30 H new ATOM 0 HB2 ASP A 88 20.282 -13.825 -11.848 1.00 2.30 H new ATOM 0 HB3 ASP A 88 20.020 -12.188 -11.282 1.00 2.30 H new ATOM 1509 N ILE A 89 22.994 -12.386 -9.716 1.00 62.44 N ATOM 1510 CA ILE A 89 23.361 -11.710 -8.478 1.00 63.43 C ATOM 1511 C ILE A 89 24.860 -11.817 -8.217 1.00 50.25 C ATOM 1512 O ILE A 89 25.477 -10.888 -7.696 1.00 30.14 O ATOM 1513 CB ILE A 89 22.599 -12.291 -7.272 1.00 63.25 C ATOM 1514 CG1 ILE A 89 21.151 -12.598 -7.657 1.00 35.41 C ATOM 1515 CG2 ILE A 89 22.648 -11.324 -6.099 1.00 51.34 C ATOM 1516 CD1 ILE A 89 20.363 -11.376 -8.073 1.00 4.51 C ATOM 0 H ILE A 89 23.267 -13.368 -9.757 1.00 62.44 H new ATOM 0 HA ILE A 89 23.089 -10.661 -8.598 1.00 63.43 H new ATOM 0 HB ILE A 89 23.080 -13.221 -6.970 1.00 63.25 H new ATOM 0 HG12 ILE A 89 21.146 -13.319 -8.475 1.00 35.41 H new ATOM 0 HG13 ILE A 89 20.652 -13.072 -6.812 1.00 35.41 H new ATOM 0 HG21 ILE A 89 22.105 -11.749 -5.254 1.00 51.34 H new ATOM 0 HG22 ILE A 89 23.686 -11.151 -5.813 1.00 51.34 H new ATOM 0 HG23 ILE A 89 22.188 -10.379 -6.387 1.00 51.34 H new ATOM 0 HD11 ILE A 89 19.346 -11.670 -8.332 1.00 4.51 H new ATOM 0 HD12 ILE A 89 20.336 -10.663 -7.249 1.00 4.51 H new ATOM 0 HD13 ILE A 89 20.838 -10.914 -8.938 1.00 4.51 H new ATOM 1528 N ARG A 90 25.440 -12.955 -8.586 1.00 12.52 N ATOM 1529 CA ARG A 90 26.867 -13.182 -8.392 1.00 72.33 C ATOM 1530 C ARG A 90 27.681 -12.001 -8.911 1.00 42.20 C ATOM 1531 O ARG A 90 28.445 -11.372 -8.178 1.00 71.10 O ATOM 1532 CB ARG A 90 27.301 -14.466 -9.103 1.00 11.24 C ATOM 1533 CG ARG A 90 28.734 -14.428 -9.607 1.00 3.14 C ATOM 1534 CD ARG A 90 29.294 -15.829 -9.801 1.00 54.44 C ATOM 1535 NE ARG A 90 29.160 -16.284 -11.182 1.00 70.15 N ATOM 1536 CZ ARG A 90 29.508 -17.499 -11.593 1.00 2.43 C ATOM 1537 NH1 ARG A 90 30.008 -18.375 -10.732 1.00 51.31 N ATOM 1538 NH2 ARG A 90 29.356 -17.839 -12.866 1.00 64.02 N ATOM 0 H ARG A 90 24.944 -13.733 -9.020 1.00 12.52 H new ATOM 0 HA ARG A 90 27.051 -13.286 -7.323 1.00 72.33 H new ATOM 0 HB2 ARG A 90 27.188 -15.307 -8.418 1.00 11.24 H new ATOM 0 HB3 ARG A 90 26.633 -14.649 -9.945 1.00 11.24 H new ATOM 0 HG2 ARG A 90 28.774 -13.885 -10.551 1.00 3.14 H new ATOM 0 HG3 ARG A 90 29.356 -13.881 -8.898 1.00 3.14 H new ATOM 0 HD2 ARG A 90 30.346 -15.842 -9.515 1.00 54.44 H new ATOM 0 HD3 ARG A 90 28.775 -16.522 -9.139 1.00 54.44 H new ATOM 0 HE ARG A 90 28.778 -15.634 -11.869 1.00 70.15 H new ATOM 0 HH11 ARG A 90 30.126 -18.117 -9.752 1.00 51.31 H new ATOM 0 HH12 ARG A 90 30.274 -19.307 -11.049 1.00 51.31 H new ATOM 0 HH21 ARG A 90 28.972 -17.168 -13.531 1.00 64.02 H new ATOM 0 HH22 ARG A 90 29.623 -18.772 -13.180 1.00 64.02 H new ATOM 1552 N PRO A 91 27.516 -11.691 -10.206 1.00 4.04 N ATOM 1553 CA PRO A 91 28.228 -10.584 -10.851 1.00 55.33 C ATOM 1554 C PRO A 91 27.746 -9.222 -10.363 1.00 14.11 C ATOM 1555 O PRO A 91 28.181 -8.184 -10.861 1.00 34.10 O ATOM 1556 CB PRO A 91 27.898 -10.767 -12.335 1.00 35.23 C ATOM 1557 CG PRO A 91 26.602 -11.502 -12.346 1.00 73.14 C ATOM 1558 CD PRO A 91 26.623 -12.397 -11.139 1.00 35.55 C ATOM 0 HA PRO A 91 29.296 -10.603 -10.632 1.00 55.33 H new ATOM 0 HB2 PRO A 91 27.813 -9.806 -12.843 1.00 35.23 H new ATOM 0 HB3 PRO A 91 28.677 -11.331 -12.847 1.00 35.23 H new ATOM 0 HG2 PRO A 91 25.761 -10.810 -12.304 1.00 73.14 H new ATOM 0 HG3 PRO A 91 26.491 -12.084 -13.261 1.00 73.14 H new ATOM 0 HD2 PRO A 91 25.626 -12.528 -10.719 1.00 35.55 H new ATOM 0 HD3 PRO A 91 27.000 -13.390 -11.382 1.00 35.55 H new ATOM 1566 N MET A 92 26.845 -9.234 -9.385 1.00 43.34 N ATOM 1567 CA MET A 92 26.306 -7.998 -8.829 1.00 31.31 C ATOM 1568 C MET A 92 26.866 -7.741 -7.434 1.00 10.44 C ATOM 1569 O MET A 92 27.058 -6.592 -7.033 1.00 14.30 O ATOM 1570 CB MET A 92 24.778 -8.063 -8.774 1.00 44.21 C ATOM 1571 CG MET A 92 24.098 -7.343 -9.927 1.00 60.23 C ATOM 1572 SD MET A 92 22.733 -6.297 -9.385 1.00 61.21 S ATOM 1573 CE MET A 92 21.441 -6.815 -10.512 1.00 62.13 C ATOM 0 H MET A 92 26.474 -10.085 -8.962 1.00 43.34 H new ATOM 0 HA MET A 92 26.605 -7.175 -9.479 1.00 31.31 H new ATOM 0 HB2 MET A 92 24.467 -9.108 -8.774 1.00 44.21 H new ATOM 0 HB3 MET A 92 24.438 -7.629 -7.834 1.00 44.21 H new ATOM 0 HG2 MET A 92 24.832 -6.732 -10.452 1.00 60.23 H new ATOM 0 HG3 MET A 92 23.726 -8.078 -10.641 1.00 60.23 H new ATOM 0 HE1 MET A 92 20.529 -6.256 -10.302 1.00 62.13 H new ATOM 0 HE2 MET A 92 21.755 -6.624 -11.538 1.00 62.13 H new ATOM 0 HE3 MET A 92 21.251 -7.881 -10.383 1.00 62.13 H new ATOM 1583 N LEU A 93 27.126 -8.815 -6.698 1.00 24.52 N ATOM 1584 CA LEU A 93 27.665 -8.706 -5.346 1.00 54.53 C ATOM 1585 C LEU A 93 29.050 -8.068 -5.362 1.00 63.23 C ATOM 1586 O LEU A 93 29.191 -6.873 -5.620 1.00 34.13 O ATOM 1587 CB LEU A 93 27.733 -10.085 -4.689 1.00 72.35 C ATOM 1588 CG LEU A 93 26.398 -10.809 -4.508 1.00 61.13 C ATOM 1589 CD1 LEU A 93 26.626 -12.247 -4.070 1.00 21.42 C ATOM 1590 CD2 LEU A 93 25.525 -10.075 -3.501 1.00 45.50 C ATOM 0 H LEU A 93 26.972 -9.773 -7.014 1.00 24.52 H new ATOM 0 HA LEU A 93 26.998 -8.068 -4.766 1.00 54.53 H new ATOM 0 HB2 LEU A 93 28.389 -10.718 -5.287 1.00 72.35 H new ATOM 0 HB3 LEU A 93 28.200 -9.976 -3.710 1.00 72.35 H new ATOM 0 HG LEU A 93 25.880 -10.821 -5.467 1.00 61.13 H new ATOM 0 HD11 LEU A 93 25.665 -12.746 -3.946 1.00 21.42 H new ATOM 0 HD12 LEU A 93 27.212 -12.769 -4.827 1.00 21.42 H new ATOM 0 HD13 LEU A 93 27.165 -12.258 -3.123 1.00 21.42 H new ATOM 0 HD21 LEU A 93 24.579 -10.605 -3.385 1.00 45.50 H new ATOM 0 HD22 LEU A 93 26.037 -10.031 -2.540 1.00 45.50 H new ATOM 0 HD23 LEU A 93 25.333 -9.063 -3.856 1.00 45.50 H new ATOM 1602 N GLN A 94 30.070 -8.875 -5.087 1.00 42.04 N ATOM 1603 CA GLN A 94 31.445 -8.389 -5.072 1.00 30.41 C ATOM 1604 C GLN A 94 32.392 -9.417 -5.682 1.00 23.32 C ATOM 1605 O GLN A 94 32.214 -10.622 -5.505 1.00 35.51 O ATOM 1606 CB GLN A 94 31.878 -8.065 -3.641 1.00 34.51 C ATOM 1607 CG GLN A 94 33.385 -7.975 -3.467 1.00 0.51 C ATOM 1608 CD GLN A 94 33.794 -6.917 -2.461 1.00 14.51 C ATOM 1609 OE1 GLN A 94 33.728 -7.136 -1.251 1.00 4.30 O ATOM 1610 NE2 GLN A 94 34.218 -5.760 -2.957 1.00 24.30 N ATOM 0 H GLN A 94 29.970 -9.867 -4.872 1.00 42.04 H new ATOM 0 HA GLN A 94 31.489 -7.480 -5.672 1.00 30.41 H new ATOM 0 HB2 GLN A 94 31.429 -7.119 -3.340 1.00 34.51 H new ATOM 0 HB3 GLN A 94 31.488 -8.831 -2.970 1.00 34.51 H new ATOM 0 HG2 GLN A 94 33.768 -8.944 -3.146 1.00 0.51 H new ATOM 0 HG3 GLN A 94 33.845 -7.753 -4.430 1.00 0.51 H new ATOM 0 HE21 GLN A 94 34.257 -5.622 -3.967 1.00 24.30 H new ATOM 0 HE22 GLN A 94 34.505 -5.010 -2.328 1.00 24.30 H new ATOM 1619 N ASP A 95 33.399 -8.933 -6.400 1.00 64.22 N ATOM 1620 CA ASP A 95 34.376 -9.810 -7.036 1.00 72.01 C ATOM 1621 C ASP A 95 35.225 -10.527 -5.991 1.00 15.24 C ATOM 1622 O ASP A 95 35.542 -11.707 -6.137 1.00 74.34 O ATOM 1623 CB ASP A 95 35.275 -9.009 -7.979 1.00 10.43 C ATOM 1624 CG ASP A 95 34.488 -8.281 -9.050 1.00 55.24 C ATOM 1625 OD1 ASP A 95 33.264 -8.513 -9.150 1.00 23.55 O ATOM 1626 OD2 ASP A 95 35.094 -7.478 -9.789 1.00 41.25 O ATOM 0 H ASP A 95 33.561 -7.938 -6.557 1.00 64.22 H new ATOM 0 HA ASP A 95 33.833 -10.559 -7.613 1.00 72.01 H new ATOM 0 HB2 ASP A 95 35.851 -8.286 -7.401 1.00 10.43 H new ATOM 0 HB3 ASP A 95 35.991 -9.681 -8.452 1.00 10.43 H new ATOM 1631 N ARG A 96 35.590 -9.805 -4.936 1.00 52.02 N ATOM 1632 CA ARG A 96 36.404 -10.371 -3.867 1.00 73.44 C ATOM 1633 C ARG A 96 35.527 -11.032 -2.808 1.00 34.01 C ATOM 1634 O ARG A 96 35.966 -11.267 -1.681 1.00 72.34 O ATOM 1635 CB ARG A 96 37.267 -9.285 -3.225 1.00 4.44 C ATOM 1636 CG ARG A 96 36.470 -8.263 -2.431 1.00 32.04 C ATOM 1637 CD ARG A 96 37.197 -7.855 -1.159 1.00 34.33 C ATOM 1638 NE ARG A 96 37.730 -6.498 -1.244 1.00 72.30 N ATOM 1639 CZ ARG A 96 38.893 -6.200 -1.811 1.00 64.21 C ATOM 1640 NH1 ARG A 96 39.641 -7.158 -2.340 1.00 64.45 N ATOM 1641 NH2 ARG A 96 39.311 -4.941 -1.850 1.00 32.22 N ATOM 0 H ARG A 96 35.335 -8.827 -4.799 1.00 52.02 H new ATOM 0 HA ARG A 96 37.053 -11.131 -4.302 1.00 73.44 H new ATOM 0 HB2 ARG A 96 37.997 -9.755 -2.566 1.00 4.44 H new ATOM 0 HB3 ARG A 96 37.827 -8.770 -4.005 1.00 4.44 H new ATOM 0 HG2 ARG A 96 36.290 -7.382 -3.047 1.00 32.04 H new ATOM 0 HG3 ARG A 96 35.495 -8.678 -2.177 1.00 32.04 H new ATOM 0 HD2 ARG A 96 36.513 -7.923 -0.313 1.00 34.33 H new ATOM 0 HD3 ARG A 96 38.012 -8.553 -0.968 1.00 34.33 H new ATOM 0 HE ARG A 96 37.179 -5.738 -0.846 1.00 72.30 H new ATOM 0 HH11 ARG A 96 39.324 -8.127 -2.312 1.00 64.45 H new ATOM 0 HH12 ARG A 96 40.534 -6.926 -2.775 1.00 64.45 H new ATOM 0 HH21 ARG A 96 38.739 -4.201 -1.444 1.00 32.22 H new ATOM 0 HH22 ARG A 96 40.205 -4.714 -2.286 1.00 32.22 H new ATOM 1655 N LEU A 97 34.285 -11.328 -3.176 1.00 61.51 N ATOM 1656 CA LEU A 97 33.345 -11.962 -2.258 1.00 3.25 C ATOM 1657 C LEU A 97 33.592 -13.465 -2.177 1.00 55.11 C ATOM 1658 O LEU A 97 33.238 -14.110 -1.190 1.00 55.10 O ATOM 1659 CB LEU A 97 31.907 -11.692 -2.702 1.00 72.25 C ATOM 1660 CG LEU A 97 30.812 -12.088 -1.711 1.00 2.43 C ATOM 1661 CD1 LEU A 97 31.158 -11.600 -0.312 1.00 73.51 C ATOM 1662 CD2 LEU A 97 29.466 -11.533 -2.153 1.00 71.02 C ATOM 0 H LEU A 97 33.906 -11.139 -4.104 1.00 61.51 H new ATOM 0 HA LEU A 97 33.498 -11.534 -1.267 1.00 3.25 H new ATOM 0 HB2 LEU A 97 31.808 -10.628 -2.916 1.00 72.25 H new ATOM 0 HB3 LEU A 97 31.731 -12.223 -3.638 1.00 72.25 H new ATOM 0 HG LEU A 97 30.744 -13.176 -1.689 1.00 2.43 H new ATOM 0 HD11 LEU A 97 30.368 -11.890 0.380 1.00 73.51 H new ATOM 0 HD12 LEU A 97 32.101 -12.045 0.006 1.00 73.51 H new ATOM 0 HD13 LEU A 97 31.253 -10.514 -0.319 1.00 73.51 H new ATOM 0 HD21 LEU A 97 28.699 -11.825 -1.436 1.00 71.02 H new ATOM 0 HD22 LEU A 97 29.520 -10.446 -2.204 1.00 71.02 H new ATOM 0 HD23 LEU A 97 29.214 -11.930 -3.136 1.00 71.02 H new ATOM 1674 N ARG A 98 34.202 -14.016 -3.221 1.00 2.00 N ATOM 1675 CA ARG A 98 34.497 -15.443 -3.268 1.00 30.01 C ATOM 1676 C ARG A 98 33.211 -16.263 -3.302 1.00 74.01 C ATOM 1677 O ARG A 98 32.122 -15.767 -3.012 1.00 74.50 O ATOM 1678 CB ARG A 98 35.342 -15.851 -2.060 1.00 4.21 C ATOM 1679 CG ARG A 98 36.809 -16.075 -2.391 1.00 31.05 C ATOM 1680 CD ARG A 98 37.542 -16.749 -1.242 1.00 22.25 C ATOM 1681 NE ARG A 98 36.890 -17.989 -0.828 1.00 12.52 N ATOM 1682 CZ ARG A 98 36.971 -19.125 -1.510 1.00 61.24 C ATOM 1683 NH1 ARG A 98 37.674 -19.179 -2.634 1.00 34.04 N ATOM 1684 NH2 ARG A 98 36.349 -20.211 -1.069 1.00 62.24 N ATOM 0 H ARG A 98 34.502 -13.496 -4.046 1.00 2.00 H new ATOM 0 HA ARG A 98 35.059 -15.642 -4.180 1.00 30.01 H new ATOM 0 HB2 ARG A 98 35.265 -15.078 -1.295 1.00 4.21 H new ATOM 0 HB3 ARG A 98 34.931 -16.765 -1.632 1.00 4.21 H new ATOM 0 HG2 ARG A 98 36.891 -16.690 -3.287 1.00 31.05 H new ATOM 0 HG3 ARG A 98 37.283 -15.119 -2.616 1.00 31.05 H new ATOM 0 HD2 ARG A 98 38.568 -16.962 -1.542 1.00 22.25 H new ATOM 0 HD3 ARG A 98 37.593 -16.066 -0.394 1.00 22.25 H new ATOM 0 HE ARG A 98 36.342 -17.982 0.032 1.00 12.52 H new ATOM 0 HH11 ARG A 98 38.154 -18.346 -2.976 1.00 34.04 H new ATOM 0 HH12 ARG A 98 37.735 -20.053 -3.156 1.00 34.04 H new ATOM 0 HH21 ARG A 98 35.808 -20.173 -0.205 1.00 62.24 H new ATOM 0 HH22 ARG A 98 36.412 -21.083 -1.594 1.00 62.24 H new ATOM 1698 N PRO A 99 33.337 -17.548 -3.666 1.00 1.13 N ATOM 1699 CA PRO A 99 32.195 -18.464 -3.747 1.00 4.24 C ATOM 1700 C PRO A 99 31.629 -18.806 -2.373 1.00 75.31 C ATOM 1701 O PRO A 99 31.811 -19.917 -1.875 1.00 60.12 O ATOM 1702 CB PRO A 99 32.788 -19.711 -4.407 1.00 34.31 C ATOM 1703 CG PRO A 99 34.239 -19.663 -4.074 1.00 71.41 C ATOM 1704 CD PRO A 99 34.605 -18.206 -4.025 1.00 54.31 C ATOM 0 HA PRO A 99 31.361 -18.029 -4.298 1.00 4.24 H new ATOM 0 HB2 PRO A 99 32.324 -20.620 -4.024 1.00 34.31 H new ATOM 0 HB3 PRO A 99 32.629 -19.702 -5.485 1.00 34.31 H new ATOM 0 HG2 PRO A 99 34.436 -20.147 -3.117 1.00 71.41 H new ATOM 0 HG3 PRO A 99 34.829 -20.189 -4.825 1.00 71.41 H new ATOM 0 HD2 PRO A 99 35.382 -18.011 -3.286 1.00 54.31 H new ATOM 0 HD3 PRO A 99 34.983 -17.854 -4.985 1.00 54.31 H new ATOM 1712 N SER A 100 30.940 -17.845 -1.766 1.00 33.32 N ATOM 1713 CA SER A 100 30.349 -18.045 -0.448 1.00 13.43 C ATOM 1714 C SER A 100 28.867 -18.388 -0.563 1.00 73.12 C ATOM 1715 O SER A 100 28.317 -19.106 0.273 1.00 51.34 O ATOM 1716 CB SER A 100 30.528 -16.790 0.410 1.00 72.33 C ATOM 1717 OG SER A 100 29.467 -15.875 0.202 1.00 54.53 O ATOM 0 H SER A 100 30.777 -16.921 -2.166 1.00 33.32 H new ATOM 0 HA SER A 100 30.861 -18.880 0.030 1.00 13.43 H new ATOM 0 HB2 SER A 100 30.571 -17.069 1.463 1.00 72.33 H new ATOM 0 HB3 SER A 100 31.477 -16.312 0.168 1.00 72.33 H new ATOM 0 HG SER A 100 29.834 -14.984 0.023 1.00 54.53 H new ATOM 1723 N PHE A 101 28.225 -17.870 -1.605 1.00 63.25 N ATOM 1724 CA PHE A 101 26.806 -18.120 -1.831 1.00 65.23 C ATOM 1725 C PHE A 101 26.502 -19.614 -1.775 1.00 71.42 C ATOM 1726 O PHE A 101 25.599 -20.048 -1.060 1.00 24.21 O ATOM 1727 CB PHE A 101 26.376 -17.551 -3.185 1.00 13.13 C ATOM 1728 CG PHE A 101 24.981 -16.994 -3.184 1.00 73.01 C ATOM 1729 CD1 PHE A 101 23.939 -17.701 -2.605 1.00 52.34 C ATOM 1730 CD2 PHE A 101 24.711 -15.764 -3.762 1.00 5.24 C ATOM 1731 CE1 PHE A 101 22.654 -17.191 -2.604 1.00 42.13 C ATOM 1732 CE2 PHE A 101 23.429 -15.249 -3.763 1.00 52.52 C ATOM 1733 CZ PHE A 101 22.399 -15.963 -3.183 1.00 1.22 C ATOM 0 H PHE A 101 28.665 -17.274 -2.306 1.00 63.25 H new ATOM 0 HA PHE A 101 26.244 -17.623 -1.040 1.00 65.23 H new ATOM 0 HB2 PHE A 101 27.072 -16.765 -3.478 1.00 13.13 H new ATOM 0 HB3 PHE A 101 26.445 -18.335 -3.939 1.00 13.13 H new ATOM 0 HD1 PHE A 101 24.133 -18.661 -2.150 1.00 52.34 H new ATOM 0 HD2 PHE A 101 25.512 -15.201 -4.217 1.00 5.24 H new ATOM 0 HE1 PHE A 101 21.850 -17.752 -2.151 1.00 42.13 H new ATOM 0 HE2 PHE A 101 23.233 -14.289 -4.217 1.00 52.52 H new ATOM 0 HZ PHE A 101 21.396 -15.562 -3.182 1.00 1.22 H new ATOM 1743 N ALA A 102 27.261 -20.396 -2.536 1.00 5.12 N ATOM 1744 CA ALA A 102 27.075 -21.841 -2.572 1.00 74.12 C ATOM 1745 C ALA A 102 27.130 -22.437 -1.170 1.00 24.32 C ATOM 1746 O ALA A 102 26.607 -23.525 -0.925 1.00 4.33 O ATOM 1747 CB ALA A 102 28.124 -22.487 -3.464 1.00 44.34 C ATOM 0 H ALA A 102 28.011 -20.052 -3.136 1.00 5.12 H new ATOM 0 HA ALA A 102 26.087 -22.044 -2.986 1.00 74.12 H new ATOM 0 HB1 ALA A 102 27.972 -23.566 -3.481 1.00 44.34 H new ATOM 0 HB2 ALA A 102 28.034 -22.092 -4.476 1.00 44.34 H new ATOM 0 HB3 ALA A 102 29.118 -22.266 -3.075 1.00 44.34 H new ATOM 1753 N LYS A 103 27.768 -21.719 -0.252 1.00 23.34 N ATOM 1754 CA LYS A 103 27.893 -22.176 1.127 1.00 34.44 C ATOM 1755 C LYS A 103 26.844 -21.515 2.016 1.00 24.04 C ATOM 1756 O LYS A 103 26.542 -22.004 3.104 1.00 31.04 O ATOM 1757 CB LYS A 103 29.294 -21.874 1.662 1.00 23.11 C ATOM 1758 CG LYS A 103 30.272 -23.024 1.491 1.00 52.04 C ATOM 1759 CD LYS A 103 30.698 -23.182 0.041 1.00 40.13 C ATOM 1760 CE LYS A 103 31.617 -24.380 -0.143 1.00 3.33 C ATOM 1761 NZ LYS A 103 32.038 -24.544 -1.562 1.00 2.13 N ATOM 0 H LYS A 103 28.207 -20.817 -0.438 1.00 23.34 H new ATOM 0 HA LYS A 103 27.730 -23.254 1.142 1.00 34.44 H new ATOM 0 HB2 LYS A 103 29.687 -20.995 1.151 1.00 23.11 H new ATOM 0 HB3 LYS A 103 29.223 -21.623 2.720 1.00 23.11 H new ATOM 0 HG2 LYS A 103 31.151 -22.851 2.113 1.00 52.04 H new ATOM 0 HG3 LYS A 103 29.812 -23.949 1.839 1.00 52.04 H new ATOM 0 HD2 LYS A 103 29.815 -23.299 -0.588 1.00 40.13 H new ATOM 0 HD3 LYS A 103 31.207 -22.277 -0.290 1.00 40.13 H new ATOM 0 HE2 LYS A 103 32.499 -24.261 0.486 1.00 3.33 H new ATOM 0 HE3 LYS A 103 31.107 -25.284 0.191 1.00 3.33 H new ATOM 0 HZ1 LYS A 103 32.663 -25.371 -1.645 1.00 2.13 H new ATOM 0 HZ2 LYS A 103 31.198 -24.683 -2.159 1.00 2.13 H new ATOM 0 HZ3 LYS A 103 32.547 -23.692 -1.874 1.00 2.13 H new ATOM 1775 N ALA A 104 26.293 -20.402 1.545 1.00 14.40 N ATOM 1776 CA ALA A 104 25.276 -19.676 2.296 1.00 53.21 C ATOM 1777 C ALA A 104 23.880 -20.199 1.977 1.00 75.34 C ATOM 1778 O ALA A 104 22.923 -19.926 2.703 1.00 41.15 O ATOM 1779 CB ALA A 104 25.364 -18.186 1.999 1.00 34.13 C ATOM 0 H ALA A 104 26.534 -19.983 0.647 1.00 14.40 H new ATOM 0 HA ALA A 104 25.461 -19.835 3.358 1.00 53.21 H new ATOM 0 HB1 ALA A 104 24.599 -17.656 2.566 1.00 34.13 H new ATOM 0 HB2 ALA A 104 26.349 -17.816 2.284 1.00 34.13 H new ATOM 0 HB3 ALA A 104 25.207 -18.018 0.934 1.00 34.13 H new ATOM 1785 N ILE A 105 23.770 -20.952 0.887 1.00 13.30 N ATOM 1786 CA ILE A 105 22.490 -21.513 0.473 1.00 71.21 C ATOM 1787 C ILE A 105 21.756 -22.140 1.654 1.00 44.51 C ATOM 1788 O ILE A 105 20.593 -21.839 1.925 1.00 65.15 O ATOM 1789 CB ILE A 105 22.671 -22.576 -0.627 1.00 31.12 C ATOM 1790 CG1 ILE A 105 23.134 -21.920 -1.929 1.00 74.24 C ATOM 1791 CG2 ILE A 105 21.373 -23.340 -0.844 1.00 23.02 C ATOM 1792 CD1 ILE A 105 22.296 -20.728 -2.336 1.00 71.35 C ATOM 0 H ILE A 105 24.552 -21.187 0.275 1.00 13.30 H new ATOM 0 HA ILE A 105 21.898 -20.688 0.077 1.00 71.21 H new ATOM 0 HB ILE A 105 23.436 -23.283 -0.307 1.00 31.12 H new ATOM 0 HG12 ILE A 105 24.171 -21.604 -1.818 1.00 74.24 H new ATOM 0 HG13 ILE A 105 23.110 -22.661 -2.728 1.00 74.24 H new ATOM 0 HG21 ILE A 105 21.517 -24.087 -1.624 1.00 23.02 H new ATOM 0 HG22 ILE A 105 21.082 -23.834 0.083 1.00 23.02 H new ATOM 0 HG23 ILE A 105 20.589 -22.646 -1.146 1.00 23.02 H new ATOM 0 HD11 ILE A 105 22.681 -20.313 -3.267 1.00 71.35 H new ATOM 0 HD12 ILE A 105 21.262 -21.042 -2.479 1.00 71.35 H new ATOM 0 HD13 ILE A 105 22.340 -19.969 -1.555 1.00 71.35 H new ATOM 1804 N PRO A 106 22.451 -23.031 2.377 1.00 40.33 N ATOM 1805 CA PRO A 106 21.886 -23.717 3.543 1.00 44.43 C ATOM 1806 C PRO A 106 21.677 -22.775 4.724 1.00 71.22 C ATOM 1807 O PRO A 106 20.751 -22.954 5.516 1.00 71.52 O ATOM 1808 CB PRO A 106 22.944 -24.771 3.880 1.00 14.03 C ATOM 1809 CG PRO A 106 24.217 -24.217 3.341 1.00 10.21 C ATOM 1810 CD PRO A 106 23.841 -23.437 2.112 1.00 44.15 C ATOM 0 HA PRO A 106 20.901 -24.134 3.334 1.00 44.43 H new ATOM 0 HB2 PRO A 106 23.009 -24.937 4.955 1.00 14.03 H new ATOM 0 HB3 PRO A 106 22.705 -25.731 3.423 1.00 14.03 H new ATOM 0 HG2 PRO A 106 24.706 -23.577 4.075 1.00 10.21 H new ATOM 0 HG3 PRO A 106 24.918 -25.015 3.097 1.00 10.21 H new ATOM 0 HD2 PRO A 106 24.491 -22.574 1.969 1.00 44.15 H new ATOM 0 HD3 PRO A 106 23.917 -24.046 1.211 1.00 44.15 H new ATOM 1818 N CYS A 107 22.541 -21.773 4.836 1.00 41.22 N ATOM 1819 CA CYS A 107 22.450 -20.803 5.921 1.00 5.33 C ATOM 1820 C CYS A 107 21.303 -19.827 5.684 1.00 14.10 C ATOM 1821 O CYS A 107 20.859 -19.138 6.604 1.00 42.54 O ATOM 1822 CB CYS A 107 23.767 -20.037 6.060 1.00 52.43 C ATOM 1823 SG CYS A 107 25.240 -21.082 5.989 1.00 64.01 S ATOM 0 H CYS A 107 23.313 -21.611 4.189 1.00 41.22 H new ATOM 0 HA CYS A 107 22.255 -21.347 6.845 1.00 5.33 H new ATOM 0 HB2 CYS A 107 23.826 -19.290 5.268 1.00 52.43 H new ATOM 0 HB3 CYS A 107 23.763 -19.497 7.007 1.00 52.43 H new ATOM 0 HG CYS A 107 25.455 -21.446 4.760 1.00 64.01 H new ATOM 1829 N LEU A 108 20.826 -19.772 4.445 1.00 22.22 N ATOM 1830 CA LEU A 108 19.730 -18.879 4.086 1.00 62.14 C ATOM 1831 C LEU A 108 18.387 -19.591 4.203 1.00 35.33 C ATOM 1832 O LEU A 108 17.394 -18.999 4.627 1.00 51.12 O ATOM 1833 CB LEU A 108 19.920 -18.355 2.661 1.00 34.10 C ATOM 1834 CG LEU A 108 20.593 -16.988 2.533 1.00 74.14 C ATOM 1835 CD1 LEU A 108 19.678 -15.892 3.056 1.00 2.42 C ATOM 1836 CD2 LEU A 108 21.921 -16.976 3.274 1.00 65.10 C ATOM 0 H LEU A 108 21.181 -20.335 3.672 1.00 22.22 H new ATOM 0 HA LEU A 108 19.736 -18.039 4.780 1.00 62.14 H new ATOM 0 HB2 LEU A 108 20.511 -19.082 2.104 1.00 34.10 H new ATOM 0 HB3 LEU A 108 18.943 -18.303 2.181 1.00 34.10 H new ATOM 0 HG LEU A 108 20.788 -16.797 1.478 1.00 74.14 H new ATOM 0 HD11 LEU A 108 20.174 -14.926 2.957 1.00 2.42 H new ATOM 0 HD12 LEU A 108 18.752 -15.886 2.481 1.00 2.42 H new ATOM 0 HD13 LEU A 108 19.451 -16.077 4.106 1.00 2.42 H new ATOM 0 HD21 LEU A 108 22.386 -15.995 3.172 1.00 65.10 H new ATOM 0 HD22 LEU A 108 21.751 -17.189 4.329 1.00 65.10 H new ATOM 0 HD23 LEU A 108 22.580 -17.735 2.852 1.00 65.10 H new ATOM 1848 N ARG A 109 18.363 -20.866 3.828 1.00 43.14 N ATOM 1849 CA ARG A 109 17.142 -21.659 3.892 1.00 72.21 C ATOM 1850 C ARG A 109 16.898 -22.168 5.310 1.00 51.32 C ATOM 1851 O ARG A 109 15.754 -22.351 5.727 1.00 52.32 O ATOM 1852 CB ARG A 109 17.223 -22.840 2.922 1.00 4.43 C ATOM 1853 CG ARG A 109 18.401 -23.764 3.186 1.00 51.03 C ATOM 1854 CD ARG A 109 18.729 -24.609 1.965 1.00 24.41 C ATOM 1855 NE ARG A 109 17.546 -25.272 1.423 1.00 11.43 N ATOM 1856 CZ ARG A 109 17.578 -26.102 0.387 1.00 21.11 C ATOM 1857 NH1 ARG A 109 18.728 -26.371 -0.216 1.00 20.14 N ATOM 1858 NH2 ARG A 109 16.458 -26.666 -0.048 1.00 5.02 N ATOM 0 H ARG A 109 19.176 -21.372 3.477 1.00 43.14 H new ATOM 0 HA ARG A 109 16.308 -21.019 3.605 1.00 72.21 H new ATOM 0 HB2 ARG A 109 16.299 -23.415 2.985 1.00 4.43 H new ATOM 0 HB3 ARG A 109 17.292 -22.459 1.903 1.00 4.43 H new ATOM 0 HG2 ARG A 109 19.273 -23.173 3.466 1.00 51.03 H new ATOM 0 HG3 ARG A 109 18.173 -24.415 4.030 1.00 51.03 H new ATOM 0 HD2 ARG A 109 19.174 -23.977 1.196 1.00 24.41 H new ATOM 0 HD3 ARG A 109 19.474 -25.359 2.233 1.00 24.41 H new ATOM 0 HE ARG A 109 16.645 -25.087 1.865 1.00 11.43 H new ATOM 0 HH11 ARG A 109 19.591 -25.940 0.116 1.00 20.14 H new ATOM 0 HH12 ARG A 109 18.750 -27.009 -1.012 1.00 20.14 H new ATOM 0 HH21 ARG A 109 15.572 -26.462 0.414 1.00 5.02 H new ATOM 0 HH22 ARG A 109 16.484 -27.303 -0.844 1.00 5.02 H new ATOM 1872 N HIS A 110 17.981 -22.395 6.046 1.00 1.31 N ATOM 1873 CA HIS A 110 17.885 -22.882 7.417 1.00 31.25 C ATOM 1874 C HIS A 110 17.026 -21.950 8.266 1.00 34.24 C ATOM 1875 O HIS A 110 16.488 -22.354 9.298 1.00 22.01 O ATOM 1876 CB HIS A 110 19.278 -23.013 8.034 1.00 41.24 C ATOM 1877 CG HIS A 110 19.260 -23.433 9.471 1.00 24.10 C ATOM 1878 ND1 HIS A 110 19.965 -22.774 10.457 1.00 73.24 N ATOM 1879 CD2 HIS A 110 18.617 -24.452 10.088 1.00 55.53 C ATOM 1880 CE1 HIS A 110 19.756 -23.370 11.617 1.00 62.20 C ATOM 1881 NE2 HIS A 110 18.941 -24.391 11.421 1.00 41.23 N ATOM 0 H HIS A 110 18.935 -22.249 5.716 1.00 1.31 H new ATOM 0 HA HIS A 110 17.412 -23.864 7.394 1.00 31.25 H new ATOM 0 HB2 HIS A 110 19.854 -23.738 7.459 1.00 41.24 H new ATOM 0 HB3 HIS A 110 19.795 -22.057 7.950 1.00 41.24 H new ATOM 0 HD2 HIS A 110 17.969 -25.178 9.619 1.00 55.53 H new ATOM 0 HE1 HIS A 110 20.180 -23.073 12.565 1.00 62.20 H new ATOM 0 HE2 HIS A 110 18.607 -25.030 12.142 1.00 41.23 H new ATOM 1889 N ILE A 111 16.902 -20.703 7.826 1.00 55.22 N ATOM 1890 CA ILE A 111 16.108 -19.715 8.545 1.00 15.52 C ATOM 1891 C ILE A 111 14.762 -19.488 7.863 1.00 24.15 C ATOM 1892 O ILE A 111 13.893 -18.799 8.397 1.00 40.42 O ATOM 1893 CB ILE A 111 16.848 -18.369 8.654 1.00 1.42 C ATOM 1894 CG1 ILE A 111 17.324 -17.910 7.274 1.00 32.11 C ATOM 1895 CG2 ILE A 111 18.023 -18.487 9.613 1.00 3.22 C ATOM 1896 CD1 ILE A 111 17.659 -16.437 7.209 1.00 2.53 C ATOM 0 H ILE A 111 17.341 -20.353 6.975 1.00 55.22 H new ATOM 0 HA ILE A 111 15.943 -20.112 9.547 1.00 15.52 H new ATOM 0 HB ILE A 111 16.157 -17.622 9.046 1.00 1.42 H new ATOM 0 HG12 ILE A 111 18.205 -18.487 6.992 1.00 32.11 H new ATOM 0 HG13 ILE A 111 16.549 -18.131 6.540 1.00 32.11 H new ATOM 0 HG21 ILE A 111 18.536 -17.528 9.679 1.00 3.22 H new ATOM 0 HG22 ILE A 111 17.660 -18.773 10.600 1.00 3.22 H new ATOM 0 HG23 ILE A 111 18.716 -19.245 9.248 1.00 3.22 H new ATOM 0 HD11 ILE A 111 17.989 -16.183 6.202 1.00 2.53 H new ATOM 0 HD12 ILE A 111 16.775 -15.851 7.460 1.00 2.53 H new ATOM 0 HD13 ILE A 111 18.455 -16.213 7.919 1.00 2.53 H new ATOM 1908 N ARG A 112 14.598 -20.075 6.682 1.00 13.33 N ATOM 1909 CA ARG A 112 13.358 -19.938 5.928 1.00 50.45 C ATOM 1910 C ARG A 112 13.215 -18.525 5.368 1.00 22.04 C ATOM 1911 O ARG A 112 12.228 -17.839 5.634 1.00 43.42 O ATOM 1912 CB ARG A 112 12.157 -20.270 6.814 1.00 34.52 C ATOM 1913 CG ARG A 112 12.361 -21.504 7.678 1.00 34.31 C ATOM 1914 CD ARG A 112 12.668 -22.731 6.834 1.00 74.14 C ATOM 1915 NE ARG A 112 11.534 -23.117 5.997 1.00 24.31 N ATOM 1916 CZ ARG A 112 11.616 -24.008 5.015 1.00 40.54 C ATOM 1917 NH1 ARG A 112 12.771 -24.601 4.747 1.00 3.31 N ATOM 1918 NH2 ARG A 112 10.540 -24.306 4.297 1.00 23.55 N ATOM 0 H ARG A 112 15.308 -20.649 6.227 1.00 13.33 H new ATOM 0 HA ARG A 112 13.391 -20.640 5.094 1.00 50.45 H new ATOM 0 HB2 ARG A 112 11.944 -19.417 7.458 1.00 34.52 H new ATOM 0 HB3 ARG A 112 11.281 -20.419 6.183 1.00 34.52 H new ATOM 0 HG2 ARG A 112 13.178 -21.329 8.377 1.00 34.31 H new ATOM 0 HG3 ARG A 112 11.466 -21.685 8.273 1.00 34.31 H new ATOM 0 HD2 ARG A 112 13.533 -22.529 6.202 1.00 74.14 H new ATOM 0 HD3 ARG A 112 12.937 -23.562 7.486 1.00 74.14 H new ATOM 0 HE ARG A 112 10.631 -22.679 6.176 1.00 24.31 H new ATOM 0 HH11 ARG A 112 13.600 -24.374 5.296 1.00 3.31 H new ATOM 0 HH12 ARG A 112 12.830 -25.285 3.992 1.00 3.31 H new ATOM 0 HH21 ARG A 112 9.650 -23.851 4.499 1.00 23.55 H new ATOM 0 HH22 ARG A 112 10.603 -24.990 3.543 1.00 23.55 H new ATOM 1932 N ARG A 113 14.207 -18.098 4.594 1.00 2.41 N ATOM 1933 CA ARG A 113 14.193 -16.767 3.999 1.00 11.42 C ATOM 1934 C ARG A 113 14.176 -16.852 2.476 1.00 71.22 C ATOM 1935 O ARG A 113 13.613 -15.989 1.802 1.00 10.53 O ATOM 1936 CB ARG A 113 15.411 -15.965 4.462 1.00 12.11 C ATOM 1937 CG ARG A 113 15.463 -14.555 3.896 1.00 62.43 C ATOM 1938 CD ARG A 113 14.832 -13.550 4.846 1.00 51.54 C ATOM 1939 NE ARG A 113 13.378 -13.512 4.715 1.00 12.53 N ATOM 1940 CZ ARG A 113 12.575 -12.942 5.607 1.00 33.00 C ATOM 1941 NH1 ARG A 113 13.082 -12.365 6.688 1.00 73.51 N ATOM 1942 NH2 ARG A 113 11.261 -12.948 5.418 1.00 23.11 N ATOM 0 H ARG A 113 15.031 -18.654 4.364 1.00 2.41 H new ATOM 0 HA ARG A 113 13.286 -16.260 4.327 1.00 11.42 H new ATOM 0 HB2 ARG A 113 15.407 -15.910 5.551 1.00 12.11 H new ATOM 0 HB3 ARG A 113 16.317 -16.497 4.173 1.00 12.11 H new ATOM 0 HG2 ARG A 113 16.499 -14.276 3.706 1.00 62.43 H new ATOM 0 HG3 ARG A 113 14.944 -14.527 2.938 1.00 62.43 H new ATOM 0 HD2 ARG A 113 15.097 -13.805 5.872 1.00 51.54 H new ATOM 0 HD3 ARG A 113 15.240 -12.559 4.648 1.00 51.54 H new ATOM 0 HE ARG A 113 12.956 -13.947 3.894 1.00 12.53 H new ATOM 0 HH11 ARG A 113 14.091 -12.358 6.837 1.00 73.51 H new ATOM 0 HH12 ARG A 113 12.463 -11.928 7.371 1.00 73.51 H new ATOM 0 HH21 ARG A 113 10.867 -13.390 4.588 1.00 23.11 H new ATOM 0 HH22 ARG A 113 10.645 -12.510 6.103 1.00 23.11 H new ATOM 1956 N ILE A 114 14.796 -17.898 1.940 1.00 2.12 N ATOM 1957 CA ILE A 114 14.852 -18.096 0.497 1.00 14.12 C ATOM 1958 C ILE A 114 14.838 -19.580 0.145 1.00 52.51 C ATOM 1959 O ILE A 114 14.776 -20.437 1.026 1.00 3.35 O ATOM 1960 CB ILE A 114 16.108 -17.447 -0.112 1.00 41.34 C ATOM 1961 CG1 ILE A 114 17.351 -18.272 0.227 1.00 72.44 C ATOM 1962 CG2 ILE A 114 16.262 -16.018 0.388 1.00 71.21 C ATOM 1963 CD1 ILE A 114 17.829 -19.141 -0.916 1.00 30.34 C ATOM 0 H ILE A 114 15.267 -18.621 2.484 1.00 2.12 H new ATOM 0 HA ILE A 114 13.967 -17.617 0.078 1.00 14.12 H new ATOM 0 HB ILE A 114 15.996 -17.422 -1.196 1.00 41.34 H new ATOM 0 HG12 ILE A 114 18.155 -17.598 0.522 1.00 72.44 H new ATOM 0 HG13 ILE A 114 17.134 -18.905 1.088 1.00 72.44 H new ATOM 0 HG21 ILE A 114 17.155 -15.573 -0.052 1.00 71.21 H new ATOM 0 HG22 ILE A 114 15.387 -15.436 0.100 1.00 71.21 H new ATOM 0 HG23 ILE A 114 16.355 -16.021 1.474 1.00 71.21 H new ATOM 0 HD11 ILE A 114 18.713 -19.697 -0.605 1.00 30.34 H new ATOM 0 HD12 ILE A 114 17.041 -19.840 -1.196 1.00 30.34 H new ATOM 0 HD13 ILE A 114 18.078 -18.513 -1.771 1.00 30.34 H new ATOM 1975 N ARG A 115 14.897 -19.875 -1.149 1.00 63.34 N ATOM 1976 CA ARG A 115 14.892 -21.256 -1.619 1.00 3.34 C ATOM 1977 C ARG A 115 15.792 -21.418 -2.840 1.00 42.12 C ATOM 1978 O ARG A 115 16.312 -20.439 -3.374 1.00 4.45 O ATOM 1979 CB ARG A 115 13.467 -21.696 -1.960 1.00 4.25 C ATOM 1980 CG ARG A 115 12.586 -21.905 -0.739 1.00 22.31 C ATOM 1981 CD ARG A 115 11.863 -23.242 -0.797 1.00 11.32 C ATOM 1982 NE ARG A 115 10.511 -23.110 -1.334 1.00 44.34 N ATOM 1983 CZ ARG A 115 9.715 -24.143 -1.582 1.00 71.53 C ATOM 1984 NH1 ARG A 115 10.132 -25.379 -1.342 1.00 3.21 N ATOM 1985 NH2 ARG A 115 8.498 -23.943 -2.071 1.00 51.43 N ATOM 0 H ARG A 115 14.949 -19.177 -1.891 1.00 63.34 H new ATOM 0 HA ARG A 115 15.278 -21.887 -0.819 1.00 3.34 H new ATOM 0 HB2 ARG A 115 13.008 -20.946 -2.604 1.00 4.25 H new ATOM 0 HB3 ARG A 115 13.509 -22.624 -2.531 1.00 4.25 H new ATOM 0 HG2 ARG A 115 13.196 -21.858 0.163 1.00 22.31 H new ATOM 0 HG3 ARG A 115 11.856 -21.098 -0.673 1.00 22.31 H new ATOM 0 HD2 ARG A 115 12.433 -23.936 -1.415 1.00 11.32 H new ATOM 0 HD3 ARG A 115 11.815 -23.672 0.203 1.00 11.32 H new ATOM 0 HE ARG A 115 10.159 -22.173 -1.529 1.00 44.34 H new ATOM 0 HH11 ARG A 115 11.067 -25.538 -0.966 1.00 3.21 H new ATOM 0 HH12 ARG A 115 9.518 -26.171 -1.534 1.00 3.21 H new ATOM 0 HH21 ARG A 115 8.173 -22.994 -2.257 1.00 51.43 H new ATOM 0 HH22 ARG A 115 7.888 -24.738 -2.261 1.00 51.43 H new ATOM 1999 N GLU A 116 15.971 -22.661 -3.277 1.00 13.15 N ATOM 2000 CA GLU A 116 16.809 -22.950 -4.434 1.00 71.31 C ATOM 2001 C GLU A 116 16.320 -24.200 -5.161 1.00 51.31 C ATOM 2002 O GLU A 116 16.161 -25.259 -4.556 1.00 71.42 O ATOM 2003 CB GLU A 116 18.266 -23.135 -4.004 1.00 14.24 C ATOM 2004 CG GLU A 116 18.421 -23.850 -2.672 1.00 12.32 C ATOM 2005 CD GLU A 116 18.296 -22.911 -1.488 1.00 3.33 C ATOM 2006 OE1 GLU A 116 18.829 -21.784 -1.566 1.00 41.24 O ATOM 2007 OE2 GLU A 116 17.667 -23.302 -0.483 1.00 32.21 O ATOM 0 H GLU A 116 15.547 -23.483 -2.847 1.00 13.15 H new ATOM 0 HA GLU A 116 16.744 -22.103 -5.117 1.00 71.31 H new ATOM 0 HB2 GLU A 116 18.794 -23.699 -4.773 1.00 14.24 H new ATOM 0 HB3 GLU A 116 18.744 -22.158 -3.940 1.00 14.24 H new ATOM 0 HG2 GLU A 116 17.665 -24.631 -2.593 1.00 12.32 H new ATOM 0 HG3 GLU A 116 19.393 -24.343 -2.639 1.00 12.32 H new ATOM 2014 N GLU A 117 16.083 -24.065 -6.462 1.00 72.53 N ATOM 2015 CA GLU A 117 15.610 -25.183 -7.271 1.00 45.03 C ATOM 2016 C GLU A 117 16.665 -25.600 -8.292 1.00 42.54 C ATOM 2017 O GLU A 117 16.886 -24.911 -9.288 1.00 43.45 O ATOM 2018 CB GLU A 117 14.311 -24.810 -7.987 1.00 51.45 C ATOM 2019 CG GLU A 117 13.516 -26.011 -8.472 1.00 1.42 C ATOM 2020 CD GLU A 117 12.032 -25.881 -8.188 1.00 22.33 C ATOM 2021 OE1 GLU A 117 11.543 -24.736 -8.093 1.00 62.35 O ATOM 2022 OE2 GLU A 117 11.360 -26.926 -8.060 1.00 21.22 O ATOM 0 H GLU A 117 16.210 -23.194 -6.978 1.00 72.53 H new ATOM 0 HA GLU A 117 15.420 -26.025 -6.605 1.00 45.03 H new ATOM 0 HB2 GLU A 117 13.689 -24.223 -7.311 1.00 51.45 H new ATOM 0 HB3 GLU A 117 14.546 -24.172 -8.839 1.00 51.45 H new ATOM 0 HG2 GLU A 117 13.668 -26.133 -9.544 1.00 1.42 H new ATOM 0 HG3 GLU A 117 13.897 -26.912 -7.991 1.00 1.42 H new ATOM 2029 N ARG A 118 17.314 -26.731 -8.037 1.00 35.14 N ATOM 2030 CA ARG A 118 18.346 -27.239 -8.932 1.00 22.13 C ATOM 2031 C ARG A 118 17.737 -27.728 -10.243 1.00 1.34 C ATOM 2032 O ARG A 118 17.186 -28.827 -10.311 1.00 13.13 O ATOM 2033 CB ARG A 118 19.118 -28.376 -8.260 1.00 64.45 C ATOM 2034 CG ARG A 118 18.238 -29.535 -7.822 1.00 14.11 C ATOM 2035 CD ARG A 118 18.651 -30.835 -8.494 1.00 3.21 C ATOM 2036 NE ARG A 118 19.845 -31.411 -7.882 1.00 23.52 N ATOM 2037 CZ ARG A 118 20.437 -32.516 -8.323 1.00 44.55 C ATOM 2038 NH1 ARG A 118 19.949 -33.158 -9.375 1.00 71.32 N ATOM 2039 NH2 ARG A 118 21.521 -32.978 -7.713 1.00 72.40 N ATOM 0 H ARG A 118 17.143 -27.313 -7.217 1.00 35.14 H new ATOM 0 HA ARG A 118 19.034 -26.423 -9.154 1.00 22.13 H new ATOM 0 HB2 ARG A 118 19.876 -28.747 -8.950 1.00 64.45 H new ATOM 0 HB3 ARG A 118 19.644 -27.982 -7.391 1.00 64.45 H new ATOM 0 HG2 ARG A 118 18.297 -29.649 -6.740 1.00 14.11 H new ATOM 0 HG3 ARG A 118 17.198 -29.314 -8.063 1.00 14.11 H new ATOM 0 HD2 ARG A 118 17.831 -31.551 -8.434 1.00 3.21 H new ATOM 0 HD3 ARG A 118 18.838 -30.653 -9.552 1.00 3.21 H new ATOM 0 HE ARG A 118 20.247 -30.939 -7.072 1.00 23.52 H new ATOM 0 HH11 ARG A 118 19.117 -32.804 -9.848 1.00 71.32 H new ATOM 0 HH12 ARG A 118 20.405 -34.006 -9.712 1.00 71.32 H new ATOM 0 HH21 ARG A 118 21.901 -32.485 -6.905 1.00 72.40 H new ATOM 0 HH22 ARG A 118 21.975 -33.826 -8.052 1.00 72.40 H new ATOM 2053 N CYS A 119 17.840 -26.904 -11.280 1.00 24.42 N ATOM 2054 CA CYS A 119 17.299 -27.252 -12.589 1.00 14.12 C ATOM 2055 C CYS A 119 18.418 -27.450 -13.605 1.00 61.14 C ATOM 2056 O CYS A 119 18.730 -26.550 -14.384 1.00 71.22 O ATOM 2057 CB CYS A 119 16.341 -26.163 -13.073 1.00 14.51 C ATOM 2058 SG CYS A 119 15.157 -25.611 -11.822 1.00 3.11 S ATOM 0 H CYS A 119 18.293 -25.991 -11.240 1.00 24.42 H new ATOM 0 HA CYS A 119 16.752 -28.190 -12.491 1.00 14.12 H new ATOM 0 HB2 CYS A 119 16.923 -25.305 -13.410 1.00 14.51 H new ATOM 0 HB3 CYS A 119 15.792 -26.535 -13.938 1.00 14.51 H new ATOM 0 HG CYS A 119 15.794 -25.281 -10.738 1.00 3.11 H new ATOM 2064 N GLY A 120 19.021 -28.635 -13.591 1.00 20.22 N ATOM 2065 CA GLY A 120 20.101 -28.930 -14.515 1.00 12.53 C ATOM 2066 C GLY A 120 21.353 -28.129 -14.217 1.00 21.12 C ATOM 2067 O GLY A 120 21.716 -27.911 -13.061 1.00 13.33 O ATOM 0 H GLY A 120 18.781 -29.396 -12.956 1.00 20.22 H new ATOM 0 HA2 GLY A 120 20.334 -29.994 -14.469 1.00 12.53 H new ATOM 0 HA3 GLY A 120 19.772 -28.720 -15.533 1.00 12.53 H new ATOM 2071 N PRO A 121 22.038 -27.678 -15.278 1.00 41.01 N ATOM 2072 CA PRO A 121 23.268 -26.891 -15.150 1.00 64.20 C ATOM 2073 C PRO A 121 23.008 -25.493 -14.601 1.00 13.15 C ATOM 2074 O PRO A 121 23.918 -24.667 -14.520 1.00 11.15 O ATOM 2075 CB PRO A 121 23.790 -26.812 -16.587 1.00 23.51 C ATOM 2076 CG PRO A 121 22.579 -26.976 -17.439 1.00 64.42 C ATOM 2077 CD PRO A 121 21.664 -27.901 -16.685 1.00 1.32 C ATOM 0 HA PRO A 121 23.970 -27.345 -14.451 1.00 64.20 H new ATOM 0 HB2 PRO A 121 24.282 -25.858 -16.778 1.00 23.51 H new ATOM 0 HB3 PRO A 121 24.523 -27.594 -16.786 1.00 23.51 H new ATOM 0 HG2 PRO A 121 22.098 -26.015 -17.622 1.00 64.42 H new ATOM 0 HG3 PRO A 121 22.840 -27.393 -18.412 1.00 64.42 H new ATOM 0 HD2 PRO A 121 20.615 -27.664 -16.865 1.00 1.32 H new ATOM 0 HD3 PRO A 121 21.811 -28.940 -16.980 1.00 1.32 H new ATOM 2085 N LEU A 122 21.761 -25.234 -14.224 1.00 14.53 N ATOM 2086 CA LEU A 122 21.380 -23.934 -13.681 1.00 20.13 C ATOM 2087 C LEU A 122 20.808 -24.078 -12.274 1.00 21.10 C ATOM 2088 O LEU A 122 20.651 -25.189 -11.766 1.00 5.12 O ATOM 2089 CB LEU A 122 20.355 -23.258 -14.593 1.00 63.24 C ATOM 2090 CG LEU A 122 20.761 -23.105 -16.060 1.00 13.22 C ATOM 2091 CD1 LEU A 122 19.529 -23.022 -16.948 1.00 42.22 C ATOM 2092 CD2 LEU A 122 21.638 -21.875 -16.245 1.00 30.22 C ATOM 0 H LEU A 122 20.996 -25.906 -14.284 1.00 14.53 H new ATOM 0 HA LEU A 122 22.275 -23.314 -13.628 1.00 20.13 H new ATOM 0 HB2 LEU A 122 19.428 -23.830 -14.551 1.00 63.24 H new ATOM 0 HB3 LEU A 122 20.138 -22.268 -14.192 1.00 63.24 H new ATOM 0 HG LEU A 122 21.336 -23.984 -16.352 1.00 13.22 H new ATOM 0 HD11 LEU A 122 19.837 -22.913 -17.988 1.00 42.22 H new ATOM 0 HD12 LEU A 122 18.939 -23.932 -16.837 1.00 42.22 H new ATOM 0 HD13 LEU A 122 18.927 -22.161 -16.656 1.00 42.22 H new ATOM 0 HD21 LEU A 122 21.917 -21.782 -17.294 1.00 30.22 H new ATOM 0 HD22 LEU A 122 21.088 -20.986 -15.936 1.00 30.22 H new ATOM 0 HD23 LEU A 122 22.538 -21.975 -15.638 1.00 30.22 H new ATOM 2104 N THR A 123 20.495 -22.947 -11.649 1.00 63.11 N ATOM 2105 CA THR A 123 19.940 -22.947 -10.302 1.00 14.32 C ATOM 2106 C THR A 123 19.198 -21.647 -10.013 1.00 53.34 C ATOM 2107 O THR A 123 19.778 -20.562 -10.075 1.00 32.44 O ATOM 2108 CB THR A 123 21.039 -23.144 -9.241 1.00 13.43 C ATOM 2109 OG1 THR A 123 21.942 -24.173 -9.657 1.00 24.52 O ATOM 2110 CG2 THR A 123 20.432 -23.508 -7.894 1.00 72.02 C ATOM 0 H THR A 123 20.617 -22.019 -12.055 1.00 63.11 H new ATOM 0 HA THR A 123 19.240 -23.781 -10.249 1.00 14.32 H new ATOM 0 HB THR A 123 21.583 -22.205 -9.134 1.00 13.43 H new ATOM 0 HG1 THR A 123 21.459 -24.834 -10.196 1.00 24.52 H new ATOM 0 HG21 THR A 123 21.227 -23.642 -7.161 1.00 72.02 H new ATOM 0 HG22 THR A 123 19.767 -22.709 -7.566 1.00 72.02 H new ATOM 0 HG23 THR A 123 19.866 -24.435 -7.989 1.00 72.02 H new ATOM 2118 N PHE A 124 17.912 -21.762 -9.698 1.00 51.00 N ATOM 2119 CA PHE A 124 17.090 -20.595 -9.400 1.00 42.21 C ATOM 2120 C PHE A 124 16.945 -20.402 -7.893 1.00 62.04 C ATOM 2121 O PHE A 124 17.369 -21.247 -7.105 1.00 31.33 O ATOM 2122 CB PHE A 124 15.709 -20.740 -10.042 1.00 40.44 C ATOM 2123 CG PHE A 124 15.759 -20.978 -11.525 1.00 2.35 C ATOM 2124 CD1 PHE A 124 16.018 -22.242 -12.028 1.00 32.40 C ATOM 2125 CD2 PHE A 124 15.547 -19.937 -12.414 1.00 61.03 C ATOM 2126 CE1 PHE A 124 16.065 -22.464 -13.391 1.00 43.13 C ATOM 2127 CE2 PHE A 124 15.593 -20.153 -13.779 1.00 11.41 C ATOM 2128 CZ PHE A 124 15.851 -21.418 -14.268 1.00 24.01 C ATOM 0 H PHE A 124 17.417 -22.652 -9.643 1.00 51.00 H new ATOM 0 HA PHE A 124 17.586 -19.717 -9.815 1.00 42.21 H new ATOM 0 HB2 PHE A 124 15.181 -21.567 -9.567 1.00 40.44 H new ATOM 0 HB3 PHE A 124 15.130 -19.838 -9.846 1.00 40.44 H new ATOM 0 HD1 PHE A 124 16.185 -23.064 -11.347 1.00 32.40 H new ATOM 0 HD2 PHE A 124 15.344 -18.946 -12.037 1.00 61.03 H new ATOM 0 HE1 PHE A 124 16.269 -23.454 -13.771 1.00 43.13 H new ATOM 0 HE2 PHE A 124 15.427 -19.333 -14.462 1.00 11.41 H new ATOM 0 HZ PHE A 124 15.885 -21.590 -15.334 1.00 24.01 H new ATOM 2138 N TYR A 125 16.344 -19.284 -7.501 1.00 63.13 N ATOM 2139 CA TYR A 125 16.146 -18.978 -6.090 1.00 14.23 C ATOM 2140 C TYR A 125 14.923 -18.087 -5.892 1.00 52.05 C ATOM 2141 O TYR A 125 14.821 -17.013 -6.486 1.00 12.13 O ATOM 2142 CB TYR A 125 17.387 -18.294 -5.515 1.00 40.51 C ATOM 2143 CG TYR A 125 18.682 -18.987 -5.874 1.00 73.22 C ATOM 2144 CD1 TYR A 125 19.350 -18.685 -7.054 1.00 43.22 C ATOM 2145 CD2 TYR A 125 19.236 -19.945 -5.035 1.00 33.35 C ATOM 2146 CE1 TYR A 125 20.533 -19.316 -7.387 1.00 60.40 C ATOM 2147 CE2 TYR A 125 20.419 -20.581 -5.358 1.00 53.24 C ATOM 2148 CZ TYR A 125 21.063 -20.263 -6.536 1.00 24.23 C ATOM 2149 OH TYR A 125 22.241 -20.895 -6.863 1.00 23.14 O ATOM 0 H TYR A 125 15.986 -18.575 -8.141 1.00 63.13 H new ATOM 0 HA TYR A 125 15.979 -19.917 -5.561 1.00 14.23 H new ATOM 0 HB2 TYR A 125 17.424 -17.265 -5.874 1.00 40.51 H new ATOM 0 HB3 TYR A 125 17.297 -18.250 -4.430 1.00 40.51 H new ATOM 0 HD1 TYR A 125 18.937 -17.944 -7.723 1.00 43.22 H new ATOM 0 HD2 TYR A 125 18.733 -20.197 -4.113 1.00 33.35 H new ATOM 0 HE1 TYR A 125 21.040 -19.069 -8.308 1.00 60.40 H new ATOM 0 HE2 TYR A 125 20.837 -21.322 -4.693 1.00 53.24 H new ATOM 0 HH TYR A 125 22.477 -21.532 -6.157 1.00 23.14 H new ATOM 2159 N TYR A 126 13.998 -18.541 -5.054 1.00 54.14 N ATOM 2160 CA TYR A 126 12.780 -17.787 -4.779 1.00 22.31 C ATOM 2161 C TYR A 126 12.592 -17.585 -3.278 1.00 64.34 C ATOM 2162 O TYR A 126 13.106 -18.342 -2.455 1.00 25.43 O ATOM 2163 CB TYR A 126 11.565 -18.509 -5.364 1.00 21.34 C ATOM 2164 CG TYR A 126 11.728 -20.011 -5.431 1.00 72.03 C ATOM 2165 CD1 TYR A 126 12.388 -20.611 -6.496 1.00 52.05 C ATOM 2166 CD2 TYR A 126 11.222 -20.830 -4.429 1.00 40.01 C ATOM 2167 CE1 TYR A 126 12.538 -21.983 -6.563 1.00 11.44 C ATOM 2168 CE2 TYR A 126 11.369 -22.202 -4.486 1.00 72.52 C ATOM 2169 CZ TYR A 126 12.027 -22.774 -5.555 1.00 50.01 C ATOM 2170 OH TYR A 126 12.176 -24.141 -5.617 1.00 13.44 O ATOM 0 H TYR A 126 14.068 -19.427 -4.553 1.00 54.14 H new ATOM 0 HA TYR A 126 12.874 -16.809 -5.250 1.00 22.31 H new ATOM 0 HB2 TYR A 126 10.688 -18.274 -4.761 1.00 21.34 H new ATOM 0 HB3 TYR A 126 11.374 -18.127 -6.367 1.00 21.34 H new ATOM 0 HD1 TYR A 126 12.791 -19.994 -7.286 1.00 52.05 H new ATOM 0 HD2 TYR A 126 10.705 -20.386 -3.591 1.00 40.01 H new ATOM 0 HE1 TYR A 126 13.052 -22.433 -7.399 1.00 11.44 H new ATOM 0 HE2 TYR A 126 10.971 -22.824 -3.698 1.00 72.52 H new ATOM 0 HH TYR A 126 11.620 -24.498 -6.340 1.00 13.44 H new ATOM 2180 N PRO A 127 11.837 -16.539 -2.913 1.00 53.04 N ATOM 2181 CA PRO A 127 11.561 -16.212 -1.511 1.00 64.21 C ATOM 2182 C PRO A 127 10.642 -17.232 -0.848 1.00 24.32 C ATOM 2183 O PRO A 127 9.419 -17.123 -0.925 1.00 25.20 O ATOM 2184 CB PRO A 127 10.874 -14.847 -1.593 1.00 72.14 C ATOM 2185 CG PRO A 127 10.267 -14.810 -2.953 1.00 72.14 C ATOM 2186 CD PRO A 127 11.192 -15.595 -3.842 1.00 4.45 C ATOM 0 HA PRO A 127 12.468 -16.212 -0.907 1.00 64.21 H new ATOM 0 HB2 PRO A 127 10.116 -14.738 -0.818 1.00 72.14 H new ATOM 0 HB3 PRO A 127 11.588 -14.035 -1.456 1.00 72.14 H new ATOM 0 HG2 PRO A 127 9.268 -15.247 -2.946 1.00 72.14 H new ATOM 0 HG3 PRO A 127 10.164 -13.784 -3.306 1.00 72.14 H new ATOM 0 HD2 PRO A 127 10.647 -16.115 -4.630 1.00 4.45 H new ATOM 0 HD3 PRO A 127 11.922 -14.951 -4.332 1.00 4.45 H new ATOM 2194 N GLY A 128 11.240 -18.225 -0.195 1.00 43.41 N ATOM 2195 CA GLY A 128 10.460 -19.250 0.473 1.00 53.24 C ATOM 2196 C GLY A 128 9.404 -19.855 -0.431 1.00 63.51 C ATOM 2197 O GLY A 128 9.567 -19.890 -1.651 1.00 24.33 O ATOM 0 H GLY A 128 12.251 -18.337 -0.117 1.00 43.41 H new ATOM 0 HA2 GLY A 128 11.126 -20.037 0.826 1.00 53.24 H new ATOM 0 HA3 GLY A 128 9.979 -18.821 1.352 1.00 53.24 H new ATOM 2201 N SER A 129 8.319 -20.336 0.168 1.00 42.31 N ATOM 2202 CA SER A 129 7.235 -20.948 -0.591 1.00 21.42 C ATOM 2203 C SER A 129 6.002 -20.050 -0.599 1.00 3.40 C ATOM 2204 O SER A 129 5.488 -19.673 0.454 1.00 2.31 O ATOM 2205 CB SER A 129 6.880 -22.315 -0.001 1.00 42.31 C ATOM 2206 OG SER A 129 6.055 -23.053 -0.886 1.00 25.34 O ATOM 0 H SER A 129 8.168 -20.314 1.176 1.00 42.31 H new ATOM 0 HA SER A 129 7.574 -21.080 -1.619 1.00 21.42 H new ATOM 0 HB2 SER A 129 7.793 -22.875 0.203 1.00 42.31 H new ATOM 0 HB3 SER A 129 6.368 -22.182 0.952 1.00 42.31 H new ATOM 0 HG SER A 129 5.843 -23.923 -0.487 1.00 25.34 H new ATOM 2212 N SER A 130 5.533 -19.710 -1.795 1.00 43.04 N ATOM 2213 CA SER A 130 4.363 -18.852 -1.943 1.00 21.35 C ATOM 2214 C SER A 130 3.111 -19.683 -2.209 1.00 1.52 C ATOM 2215 O SER A 130 3.114 -20.573 -3.057 1.00 31.32 O ATOM 2216 CB SER A 130 4.577 -17.852 -3.080 1.00 63.44 C ATOM 2217 OG SER A 130 5.643 -16.966 -2.786 1.00 52.43 O ATOM 0 H SER A 130 5.945 -20.016 -2.676 1.00 43.04 H new ATOM 0 HA SER A 130 4.224 -18.305 -1.011 1.00 21.35 H new ATOM 0 HB2 SER A 130 4.790 -18.388 -4.005 1.00 63.44 H new ATOM 0 HB3 SER A 130 3.662 -17.283 -3.245 1.00 63.44 H new ATOM 0 HG SER A 130 5.761 -16.338 -3.529 1.00 52.43 H new TER 2223 SER A 130