USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 980 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 ASN : amide:sc= 0.657 K(o=-0.7,f=-2.8) USER MOD Set 1.2: A 80 ASN : amide:sc= -1.36 K(o=-0.7,f=-4.5!) USER MOD Set 2.1: A 73 CYS SG : rot -111:sc= -1.78! USER MOD Set 2.2: A 116 HIS : no HE2:sc= -4.05! C(o=-5.8!,f=-10!) USER MOD Set 3.1: A 49 GLN :FLIP amide:sc= -0.276 F(o=-5,f=-3.4) USER MOD Set 3.2: A 64 ASN : amide:sc= -3.15! C(o=-3.4!,f=-8.7!) USER MOD Set 4.1: A 17 SER OG : rot -84:sc= 0.0788 USER MOD Set 4.2: A 39 HIS : no HD1:sc= 0.0571 X(o=0.14,f=-0.14) USER MOD Single : A 10 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0122) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0285) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0229) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -136:sc= -0.231 (180deg=-1.2) USER MOD Single : A 43 THR OG1 : rot 150:sc= -0.434 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.21) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.0135 (180deg=-0.162) USER MOD Single : A 48 THR OG1 : rot 110:sc= -0.419 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0045 USER MOD Single : A 57 ASN : amide:sc= -0.0571 K(o=-0.057,f=-1.4) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -1.68 K(o=-1.7,f=-7.6!) USER MOD Single : A 71 MET CE :methyl 157:sc= -0.0677 (180deg=-1.04) USER MOD Single : A 74 THR OG1 : rot 15:sc= 0.246 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 22:sc= -1.33 USER MOD Single : A 88 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.056) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.42) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -170:sc= -2.28 USER MOD Single : A 109 SER OG : rot 180:sc= -0.222 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -115:sc= 0.754 (180deg=-1.65!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 1.601 21.201 -19.792 1.00 0.00 N ATOM 2 CA GLU A 8 2.895 20.838 -20.358 1.00 0.00 C ATOM 3 C GLU A 8 3.630 19.857 -19.449 1.00 0.00 C ATOM 4 O GLU A 8 4.856 19.894 -19.339 1.00 0.00 O ATOM 5 CB GLU A 8 3.750 22.088 -20.574 1.00 0.00 C ATOM 6 CG GLU A 8 3.081 23.140 -21.443 1.00 0.00 C ATOM 7 CD GLU A 8 3.017 22.737 -22.903 1.00 0.00 C ATOM 8 OE1 GLU A 8 4.089 22.558 -23.517 1.00 0.00 O ATOM 9 OE2 GLU A 8 1.894 22.600 -23.432 1.00 0.00 O ATOM 0 HA GLU A 8 2.720 20.355 -21.319 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.988 22.527 -19.605 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.695 21.797 -21.033 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.071 23.321 -21.075 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.626 24.080 -21.353 1.00 0.00 H new ATOM 16 N VAL A 9 2.872 18.979 -18.799 1.00 0.00 N ATOM 17 CA VAL A 9 3.450 17.987 -17.900 1.00 0.00 C ATOM 18 C VAL A 9 2.805 16.621 -18.102 1.00 0.00 C ATOM 19 O VAL A 9 1.581 16.490 -18.082 1.00 0.00 O ATOM 20 CB VAL A 9 3.291 18.405 -16.426 1.00 0.00 C ATOM 21 CG1 VAL A 9 4.011 19.719 -16.163 1.00 0.00 C ATOM 22 CG2 VAL A 9 1.819 18.511 -16.059 1.00 0.00 C ATOM 0 H VAL A 9 1.856 18.935 -18.878 1.00 0.00 H new ATOM 0 HA VAL A 9 4.512 17.923 -18.139 1.00 0.00 H new ATOM 0 HB VAL A 9 3.744 17.638 -15.798 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.888 19.998 -15.117 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.072 19.603 -16.385 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.590 20.498 -16.799 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.725 18.807 -15.014 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.339 19.257 -16.692 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.337 17.545 -16.207 1.00 0.00 H new ATOM 32 N LYS A 10 3.637 15.603 -18.297 1.00 0.00 N ATOM 33 CA LYS A 10 3.150 14.244 -18.501 1.00 0.00 C ATOM 34 C LYS A 10 2.981 13.521 -17.168 1.00 0.00 C ATOM 35 O LYS A 10 3.681 13.814 -16.200 1.00 0.00 O ATOM 36 CB LYS A 10 4.114 13.464 -19.398 1.00 0.00 C ATOM 37 CG LYS A 10 5.405 13.067 -18.702 1.00 0.00 C ATOM 38 CD LYS A 10 6.349 12.346 -19.649 1.00 0.00 C ATOM 39 CE LYS A 10 7.714 12.125 -19.015 1.00 0.00 C ATOM 40 NZ LYS A 10 8.519 13.377 -18.983 1.00 0.00 N ATOM 0 H LYS A 10 4.653 15.694 -18.318 1.00 0.00 H new ATOM 0 HA LYS A 10 2.177 14.303 -18.989 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.614 12.565 -19.759 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.354 14.069 -20.273 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.895 13.957 -18.306 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.178 12.423 -17.852 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.918 11.385 -19.932 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.462 12.927 -20.564 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.586 11.749 -18.000 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.254 11.360 -19.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.472 13.168 -18.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.591 13.768 -19.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.058 14.071 -18.360 1.00 0.00 H new ATOM 54 N GLU A 11 2.047 12.575 -17.128 1.00 0.00 N ATOM 55 CA GLU A 11 1.788 11.811 -15.914 1.00 0.00 C ATOM 56 C GLU A 11 1.404 10.372 -16.248 1.00 0.00 C ATOM 57 O GLU A 11 0.610 10.127 -17.156 1.00 0.00 O ATOM 58 CB GLU A 11 0.675 12.471 -15.097 1.00 0.00 C ATOM 59 CG GLU A 11 1.062 13.823 -14.521 1.00 0.00 C ATOM 60 CD GLU A 11 -0.132 14.738 -14.328 1.00 0.00 C ATOM 61 OE1 GLU A 11 -0.684 15.214 -15.341 1.00 0.00 O ATOM 62 OE2 GLU A 11 -0.513 14.977 -13.163 1.00 0.00 O ATOM 0 H GLU A 11 1.459 12.320 -17.921 1.00 0.00 H new ATOM 0 HA GLU A 11 2.703 11.797 -15.322 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.204 12.593 -15.729 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.391 11.806 -14.281 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.561 13.676 -13.563 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.780 14.304 -15.185 1.00 0.00 H new ATOM 69 N GLU A 12 1.973 9.427 -15.508 1.00 0.00 N ATOM 70 CA GLU A 12 1.691 8.013 -15.727 1.00 0.00 C ATOM 71 C GLU A 12 0.453 7.578 -14.948 1.00 0.00 C ATOM 72 O GLU A 12 -0.128 8.361 -14.197 1.00 0.00 O ATOM 73 CB GLU A 12 2.893 7.160 -15.313 1.00 0.00 C ATOM 74 CG GLU A 12 3.923 6.985 -16.416 1.00 0.00 C ATOM 75 CD GLU A 12 4.762 8.229 -16.634 1.00 0.00 C ATOM 76 OE1 GLU A 12 4.181 9.286 -16.962 1.00 0.00 O ATOM 77 OE2 GLU A 12 5.998 8.148 -16.477 1.00 0.00 O ATOM 0 H GLU A 12 2.632 9.614 -14.752 1.00 0.00 H new ATOM 0 HA GLU A 12 1.500 7.868 -16.790 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.373 7.619 -14.449 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.540 6.178 -14.998 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.577 6.149 -16.168 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.415 6.727 -17.345 1.00 0.00 H new ATOM 84 N ASP A 13 0.055 6.324 -15.133 1.00 0.00 N ATOM 85 CA ASP A 13 -1.113 5.783 -14.449 1.00 0.00 C ATOM 86 C ASP A 13 -1.164 6.261 -13.001 1.00 0.00 C ATOM 87 O ASP A 13 -2.207 6.705 -12.520 1.00 0.00 O ATOM 88 CB ASP A 13 -1.096 4.255 -14.494 1.00 0.00 C ATOM 89 CG ASP A 13 -1.099 3.717 -15.911 1.00 0.00 C ATOM 90 OD1 ASP A 13 -0.001 3.524 -16.475 1.00 0.00 O ATOM 91 OD2 ASP A 13 -2.199 3.490 -16.458 1.00 0.00 O ATOM 0 H ASP A 13 0.525 5.663 -15.752 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.004 6.143 -14.964 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.212 3.889 -13.972 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.964 3.869 -13.960 1.00 0.00 H new ATOM 96 N ALA A 14 -0.032 6.166 -12.312 1.00 0.00 N ATOM 97 CA ALA A 14 0.052 6.590 -10.919 1.00 0.00 C ATOM 98 C ALA A 14 0.744 7.943 -10.798 1.00 0.00 C ATOM 99 O ALA A 14 1.850 8.134 -11.305 1.00 0.00 O ATOM 100 CB ALA A 14 0.786 5.544 -10.093 1.00 0.00 C ATOM 0 H ALA A 14 0.839 5.799 -12.695 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.963 6.695 -10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.842 5.873 -9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.249 4.597 -10.145 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.794 5.412 -10.486 1.00 0.00 H new ATOM 106 N PHE A 15 0.087 8.881 -10.124 1.00 0.00 N ATOM 107 CA PHE A 15 0.639 10.217 -9.938 1.00 0.00 C ATOM 108 C PHE A 15 1.851 10.181 -9.012 1.00 0.00 C ATOM 109 O PHE A 15 2.883 10.789 -9.299 1.00 0.00 O ATOM 110 CB PHE A 15 -0.426 11.156 -9.366 1.00 0.00 C ATOM 111 CG PHE A 15 -0.996 10.690 -8.057 1.00 0.00 C ATOM 112 CD1 PHE A 15 -2.075 9.821 -8.027 1.00 0.00 C ATOM 113 CD2 PHE A 15 -0.454 11.120 -6.857 1.00 0.00 C ATOM 114 CE1 PHE A 15 -2.602 9.391 -6.824 1.00 0.00 C ATOM 115 CE2 PHE A 15 -0.976 10.693 -5.651 1.00 0.00 C ATOM 116 CZ PHE A 15 -2.051 9.827 -5.635 1.00 0.00 C ATOM 0 H PHE A 15 -0.829 8.740 -9.697 1.00 0.00 H new ATOM 0 HA PHE A 15 0.959 10.590 -10.911 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.009 12.146 -9.232 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.235 11.258 -10.089 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.509 9.476 -8.954 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.387 11.797 -6.864 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.444 8.715 -6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.544 11.036 -4.723 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.461 9.491 -4.694 1.00 0.00 H new ATOM 126 N TYR A 16 1.718 9.466 -7.901 1.00 0.00 N ATOM 127 CA TYR A 16 2.801 9.352 -6.931 1.00 0.00 C ATOM 128 C TYR A 16 3.568 8.047 -7.121 1.00 0.00 C ATOM 129 O TYR A 16 3.005 6.959 -6.999 1.00 0.00 O ATOM 130 CB TYR A 16 2.248 9.428 -5.507 1.00 0.00 C ATOM 131 CG TYR A 16 3.295 9.211 -4.438 1.00 0.00 C ATOM 132 CD1 TYR A 16 3.618 7.931 -4.005 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.962 10.285 -3.862 1.00 0.00 C ATOM 134 CE1 TYR A 16 4.573 7.727 -3.028 1.00 0.00 C ATOM 135 CE2 TYR A 16 4.920 10.090 -2.886 1.00 0.00 C ATOM 136 CZ TYR A 16 5.222 8.810 -2.472 1.00 0.00 C ATOM 137 OH TYR A 16 6.174 8.612 -1.499 1.00 0.00 O ATOM 0 H TYR A 16 0.871 8.956 -7.649 1.00 0.00 H new ATOM 0 HA TYR A 16 3.488 10.183 -7.092 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.785 10.404 -5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.462 8.681 -5.391 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.114 7.081 -4.440 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.728 11.289 -4.183 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.810 6.725 -2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.430 10.936 -2.449 1.00 0.00 H new ATOM 0 HH TYR A 16 6.535 9.477 -1.214 1.00 0.00 H new ATOM 147 N SER A 17 4.858 8.165 -7.420 1.00 0.00 N ATOM 148 CA SER A 17 5.704 6.996 -7.631 1.00 0.00 C ATOM 149 C SER A 17 7.006 7.119 -6.847 1.00 0.00 C ATOM 150 O SER A 17 7.894 7.891 -7.212 1.00 0.00 O ATOM 151 CB SER A 17 6.006 6.820 -9.120 1.00 0.00 C ATOM 152 OG SER A 17 4.821 6.571 -9.856 1.00 0.00 O ATOM 0 H SER A 17 5.340 9.058 -7.522 1.00 0.00 H new ATOM 0 HA SER A 17 5.165 6.119 -7.271 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.494 7.716 -9.503 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.703 5.994 -9.257 1.00 0.00 H new ATOM 0 HG SER A 17 4.603 5.616 -9.813 1.00 0.00 H new ATOM 158 N LYS A 18 7.114 6.353 -5.766 1.00 0.00 N ATOM 159 CA LYS A 18 8.308 6.374 -4.929 1.00 0.00 C ATOM 160 C LYS A 18 8.711 4.961 -4.522 1.00 0.00 C ATOM 161 O LYS A 18 7.868 4.149 -4.139 1.00 0.00 O ATOM 162 CB LYS A 18 8.066 7.227 -3.681 1.00 0.00 C ATOM 163 CG LYS A 18 9.272 7.316 -2.763 1.00 0.00 C ATOM 164 CD LYS A 18 10.343 8.230 -3.336 1.00 0.00 C ATOM 165 CE LYS A 18 9.959 9.695 -3.196 1.00 0.00 C ATOM 166 NZ LYS A 18 10.787 10.572 -4.070 1.00 0.00 N ATOM 0 H LYS A 18 6.389 5.710 -5.449 1.00 0.00 H new ATOM 0 HA LYS A 18 9.121 6.812 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.779 8.233 -3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.226 6.812 -3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.960 7.687 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.687 6.320 -2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.288 8.050 -2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.500 7.993 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.906 9.820 -3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.076 10.003 -2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.494 11.562 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.790 10.472 -3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.656 10.295 -5.064 1.00 0.00 H new ATOM 180 N LYS A 19 10.006 4.672 -4.605 1.00 0.00 N ATOM 181 CA LYS A 19 10.522 3.358 -4.243 1.00 0.00 C ATOM 182 C LYS A 19 10.684 3.235 -2.731 1.00 0.00 C ATOM 183 O LYS A 19 11.115 4.176 -2.065 1.00 0.00 O ATOM 184 CB LYS A 19 11.866 3.108 -4.932 1.00 0.00 C ATOM 185 CG LYS A 19 12.947 4.098 -4.535 1.00 0.00 C ATOM 186 CD LYS A 19 14.336 3.511 -4.721 1.00 0.00 C ATOM 187 CE LYS A 19 14.844 3.722 -6.139 1.00 0.00 C ATOM 188 NZ LYS A 19 15.287 5.125 -6.367 1.00 0.00 N ATOM 0 H LYS A 19 10.717 5.332 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 19 9.804 2.609 -4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.204 2.099 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.725 3.151 -6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.850 5.003 -5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.810 4.389 -3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.025 3.973 -4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.315 2.445 -4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.675 3.043 -6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.056 3.470 -6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.780 5.189 -7.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.459 5.754 -6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.933 5.413 -5.604 1.00 0.00 H new ATOM 202 N CYS A 20 10.336 2.069 -2.197 1.00 0.00 N ATOM 203 CA CYS A 20 10.443 1.823 -0.763 1.00 0.00 C ATOM 204 C CYS A 20 10.344 0.332 -0.458 1.00 0.00 C ATOM 205 O CYS A 20 10.093 -0.480 -1.350 1.00 0.00 O ATOM 206 CB CYS A 20 9.351 2.584 -0.011 1.00 0.00 C ATOM 207 SG CYS A 20 7.670 2.048 -0.409 1.00 0.00 S ATOM 0 H CYS A 20 9.978 1.280 -2.735 1.00 0.00 H new ATOM 0 HA CYS A 20 11.418 2.179 -0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.514 2.468 1.060 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.444 3.647 -0.234 1.00 0.00 H new ATOM 0 HG CYS A 20 6.817 2.748 0.278 1.00 0.00 H new ATOM 213 N LYS A 21 10.543 -0.023 0.806 1.00 0.00 N ATOM 214 CA LYS A 21 10.476 -1.416 1.230 1.00 0.00 C ATOM 215 C LYS A 21 9.158 -1.706 1.941 1.00 0.00 C ATOM 216 O LYS A 21 8.410 -0.789 2.282 1.00 0.00 O ATOM 217 CB LYS A 21 11.650 -1.746 2.155 1.00 0.00 C ATOM 218 CG LYS A 21 13.008 -1.596 1.491 1.00 0.00 C ATOM 219 CD LYS A 21 14.109 -1.381 2.516 1.00 0.00 C ATOM 220 CE LYS A 21 15.485 -1.627 1.916 1.00 0.00 C ATOM 221 NZ LYS A 21 16.575 -1.311 2.880 1.00 0.00 N ATOM 0 H LYS A 21 10.752 0.636 1.556 1.00 0.00 H new ATOM 0 HA LYS A 21 10.534 -2.043 0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.608 -1.095 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.542 -2.769 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.227 -2.487 0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.985 -0.754 0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.055 -0.363 2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.955 -2.050 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.565 -2.669 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.605 -1.018 1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.497 -1.492 2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.515 -0.310 3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.476 -1.910 3.724 1.00 0.00 H new ATOM 235 N LEU A 22 8.880 -2.986 2.164 1.00 0.00 N ATOM 236 CA LEU A 22 7.653 -3.397 2.837 1.00 0.00 C ATOM 237 C LEU A 22 7.947 -4.420 3.929 1.00 0.00 C ATOM 238 O LEU A 22 8.693 -5.376 3.714 1.00 0.00 O ATOM 239 CB LEU A 22 6.665 -3.982 1.826 1.00 0.00 C ATOM 240 CG LEU A 22 5.702 -2.988 1.176 1.00 0.00 C ATOM 241 CD1 LEU A 22 4.866 -3.675 0.108 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.806 -2.349 2.228 1.00 0.00 C ATOM 0 H LEU A 22 9.488 -3.757 1.888 1.00 0.00 H new ATOM 0 HA LEU A 22 7.210 -2.516 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.233 -4.476 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.078 -4.752 2.326 1.00 0.00 H new ATOM 0 HG LEU A 22 6.288 -2.202 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.187 -2.952 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.522 -4.085 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.289 -4.481 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.127 -1.644 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.228 -3.123 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.421 -1.821 2.957 1.00 0.00 H new ATOM 254 N PHE A 23 7.353 -4.215 5.100 1.00 0.00 N ATOM 255 CA PHE A 23 7.550 -5.121 6.226 1.00 0.00 C ATOM 256 C PHE A 23 6.233 -5.382 6.950 1.00 0.00 C ATOM 257 O PHE A 23 5.334 -4.541 6.950 1.00 0.00 O ATOM 258 CB PHE A 23 8.575 -4.540 7.202 1.00 0.00 C ATOM 259 CG PHE A 23 9.926 -4.309 6.586 1.00 0.00 C ATOM 260 CD1 PHE A 23 10.873 -5.320 6.562 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.248 -3.082 6.030 1.00 0.00 C ATOM 262 CE1 PHE A 23 12.116 -5.112 5.996 1.00 0.00 C ATOM 263 CE2 PHE A 23 11.489 -2.867 5.462 1.00 0.00 C ATOM 264 CZ PHE A 23 12.425 -3.883 5.446 1.00 0.00 C ATOM 0 H PHE A 23 6.731 -3.430 5.294 1.00 0.00 H new ATOM 0 HA PHE A 23 7.925 -6.068 5.837 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.197 -3.596 7.594 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.682 -5.217 8.050 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.637 -6.283 6.991 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.520 -2.284 6.041 1.00 0.00 H new ATOM 0 HE1 PHE A 23 12.845 -5.909 5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.727 -1.906 5.031 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.396 -3.717 5.004 1.00 0.00 H new ATOM 274 N TYR A 24 6.126 -6.554 7.567 1.00 0.00 N ATOM 275 CA TYR A 24 4.918 -6.928 8.293 1.00 0.00 C ATOM 276 C TYR A 24 5.264 -7.526 9.653 1.00 0.00 C ATOM 277 O TYR A 24 6.327 -8.119 9.833 1.00 0.00 O ATOM 278 CB TYR A 24 4.098 -7.929 7.477 1.00 0.00 C ATOM 279 CG TYR A 24 4.913 -9.080 6.933 1.00 0.00 C ATOM 280 CD1 TYR A 24 5.794 -8.895 5.875 1.00 0.00 C ATOM 281 CD2 TYR A 24 4.805 -10.354 7.479 1.00 0.00 C ATOM 282 CE1 TYR A 24 6.540 -9.944 5.374 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.548 -11.408 6.986 1.00 0.00 C ATOM 284 CZ TYR A 24 6.414 -11.198 5.933 1.00 0.00 C ATOM 285 OH TYR A 24 7.157 -12.246 5.438 1.00 0.00 O ATOM 0 H TYR A 24 6.861 -7.261 7.579 1.00 0.00 H new ATOM 0 HA TYR A 24 4.326 -6.027 8.452 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.298 -8.325 8.102 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.624 -7.406 6.646 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.897 -7.914 5.436 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.128 -10.522 8.303 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.218 -9.783 4.549 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.452 -12.391 7.422 1.00 0.00 H new ATOM 0 HH TYR A 24 6.951 -13.060 5.943 1.00 0.00 H new ATOM 295 N LYS A 25 4.356 -7.365 10.610 1.00 0.00 N ATOM 296 CA LYS A 25 4.561 -7.888 11.956 1.00 0.00 C ATOM 297 C LYS A 25 4.069 -9.329 12.060 1.00 0.00 C ATOM 298 O LYS A 25 2.869 -9.593 11.986 1.00 0.00 O ATOM 299 CB LYS A 25 3.835 -7.015 12.981 1.00 0.00 C ATOM 300 CG LYS A 25 4.388 -7.144 14.390 1.00 0.00 C ATOM 301 CD LYS A 25 5.497 -6.138 14.648 1.00 0.00 C ATOM 302 CE LYS A 25 6.439 -6.616 15.742 1.00 0.00 C ATOM 303 NZ LYS A 25 5.860 -6.416 17.099 1.00 0.00 N ATOM 0 H LYS A 25 3.470 -6.876 10.478 1.00 0.00 H new ATOM 0 HA LYS A 25 5.630 -7.871 12.167 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.899 -5.973 12.669 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.778 -7.281 12.989 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.585 -6.995 15.112 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.769 -8.154 14.541 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.059 -5.971 13.729 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.062 -5.180 14.934 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.661 -7.673 15.594 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.384 -6.078 15.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.532 -6.754 17.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.672 -5.404 17.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.971 -6.949 17.179 1.00 0.00 H new ATOM 317 N LYS A 26 5.004 -10.257 12.232 1.00 0.00 N ATOM 318 CA LYS A 26 4.666 -11.671 12.350 1.00 0.00 C ATOM 319 C LYS A 26 5.382 -12.304 13.538 1.00 0.00 C ATOM 320 O LYS A 26 6.605 -12.228 13.651 1.00 0.00 O ATOM 321 CB LYS A 26 5.036 -12.413 11.063 1.00 0.00 C ATOM 322 CG LYS A 26 4.493 -13.830 11.002 1.00 0.00 C ATOM 323 CD LYS A 26 5.086 -14.604 9.836 1.00 0.00 C ATOM 324 CE LYS A 26 4.133 -15.680 9.339 1.00 0.00 C ATOM 325 NZ LYS A 26 4.614 -16.306 8.076 1.00 0.00 N ATOM 0 H LYS A 26 6.002 -10.056 12.293 1.00 0.00 H new ATOM 0 HA LYS A 26 3.591 -11.750 12.512 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.659 -11.851 10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.122 -12.444 10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.717 -14.347 11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.408 -13.801 10.906 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.317 -13.917 9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.026 -15.063 10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.020 -16.447 10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.147 -15.245 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.937 -17.034 7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.697 -15.578 7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.544 -16.743 8.237 1.00 0.00 H new ATOM 339 N ASP A 27 4.612 -12.930 14.422 1.00 0.00 N ATOM 340 CA ASP A 27 5.173 -13.579 15.601 1.00 0.00 C ATOM 341 C ASP A 27 5.982 -12.589 16.433 1.00 0.00 C ATOM 342 O ASP A 27 7.075 -12.904 16.900 1.00 0.00 O ATOM 343 CB ASP A 27 6.056 -14.758 15.188 1.00 0.00 C ATOM 344 CG ASP A 27 5.265 -16.039 15.010 1.00 0.00 C ATOM 345 OD1 ASP A 27 4.630 -16.485 15.988 1.00 0.00 O ATOM 346 OD2 ASP A 27 5.282 -16.597 13.893 1.00 0.00 O ATOM 0 H ASP A 27 3.598 -13.002 14.344 1.00 0.00 H new ATOM 0 HA ASP A 27 4.348 -13.948 16.210 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.566 -14.517 14.255 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.827 -14.912 15.943 1.00 0.00 H new ATOM 351 N ASN A 28 5.435 -11.391 16.614 1.00 0.00 N ATOM 352 CA ASN A 28 6.106 -10.354 17.389 1.00 0.00 C ATOM 353 C ASN A 28 7.464 -10.014 16.782 1.00 0.00 C ATOM 354 O ASN A 28 8.437 -9.787 17.500 1.00 0.00 O ATOM 355 CB ASN A 28 6.283 -10.807 18.840 1.00 0.00 C ATOM 356 CG ASN A 28 4.958 -10.994 19.553 1.00 0.00 C ATOM 357 OD1 ASN A 28 3.937 -10.441 19.143 1.00 0.00 O ATOM 358 ND2 ASN A 28 4.969 -11.775 20.627 1.00 0.00 N ATOM 0 H ASN A 28 4.529 -11.115 16.235 1.00 0.00 H new ATOM 0 HA ASN A 28 5.484 -9.459 17.367 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.839 -11.745 18.860 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.881 -10.071 19.377 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.108 -11.937 21.149 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.839 -12.213 20.930 1.00 0.00 H new ATOM 365 N GLU A 29 7.520 -9.980 15.454 1.00 0.00 N ATOM 366 CA GLU A 29 8.759 -9.668 14.750 1.00 0.00 C ATOM 367 C GLU A 29 8.468 -9.023 13.398 1.00 0.00 C ATOM 368 O GLU A 29 7.332 -9.034 12.924 1.00 0.00 O ATOM 369 CB GLU A 29 9.594 -10.935 14.555 1.00 0.00 C ATOM 370 CG GLU A 29 10.516 -11.242 15.722 1.00 0.00 C ATOM 371 CD GLU A 29 11.731 -10.336 15.761 1.00 0.00 C ATOM 372 OE1 GLU A 29 11.548 -9.104 15.853 1.00 0.00 O ATOM 373 OE2 GLU A 29 12.863 -10.858 15.698 1.00 0.00 O ATOM 0 H GLU A 29 6.723 -10.164 14.845 1.00 0.00 H new ATOM 0 HA GLU A 29 9.324 -8.960 15.357 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.924 -11.781 14.400 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.191 -10.831 13.649 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.961 -11.140 16.655 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.843 -12.280 15.658 1.00 0.00 H new ATOM 380 N PHE A 30 9.503 -8.461 12.782 1.00 0.00 N ATOM 381 CA PHE A 30 9.360 -7.810 11.485 1.00 0.00 C ATOM 382 C PHE A 30 10.025 -8.635 10.387 1.00 0.00 C ATOM 383 O PHE A 30 11.214 -8.944 10.459 1.00 0.00 O ATOM 384 CB PHE A 30 9.970 -6.407 11.525 1.00 0.00 C ATOM 385 CG PHE A 30 9.049 -5.370 12.100 1.00 0.00 C ATOM 386 CD1 PHE A 30 8.181 -4.665 11.282 1.00 0.00 C ATOM 387 CD2 PHE A 30 9.052 -5.099 13.459 1.00 0.00 C ATOM 388 CE1 PHE A 30 7.332 -3.709 11.808 1.00 0.00 C ATOM 389 CE2 PHE A 30 8.204 -4.145 13.991 1.00 0.00 C ATOM 390 CZ PHE A 30 7.345 -3.448 13.164 1.00 0.00 C ATOM 0 H PHE A 30 10.450 -8.443 13.160 1.00 0.00 H new ATOM 0 HA PHE A 30 8.296 -7.730 11.261 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.886 -6.435 12.114 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.250 -6.112 10.514 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.167 -4.865 10.221 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.724 -5.639 14.110 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.660 -3.167 11.159 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.213 -3.945 15.052 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.685 -2.700 13.577 1.00 0.00 H new ATOM 400 N LYS A 31 9.247 -8.988 9.369 1.00 0.00 N ATOM 401 CA LYS A 31 9.758 -9.776 8.253 1.00 0.00 C ATOM 402 C LYS A 31 9.646 -9.002 6.944 1.00 0.00 C ATOM 403 O LYS A 31 8.784 -8.136 6.797 1.00 0.00 O ATOM 404 CB LYS A 31 8.993 -11.098 8.143 1.00 0.00 C ATOM 405 CG LYS A 31 9.503 -12.175 9.084 1.00 0.00 C ATOM 406 CD LYS A 31 9.188 -13.567 8.561 1.00 0.00 C ATOM 407 CE LYS A 31 9.576 -14.641 9.565 1.00 0.00 C ATOM 408 NZ LYS A 31 11.051 -14.714 9.758 1.00 0.00 N ATOM 0 H LYS A 31 8.260 -8.741 9.294 1.00 0.00 H new ATOM 0 HA LYS A 31 10.811 -9.986 8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.938 -10.916 8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.059 -11.462 7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.580 -12.068 9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.052 -12.044 10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.123 -13.641 8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.720 -13.734 7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.095 -14.435 10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.206 -15.608 9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.280 -15.512 10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.515 -14.851 8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.389 -13.829 10.188 1.00 0.00 H new ATOM 422 N GLU A 32 10.523 -9.320 5.997 1.00 0.00 N ATOM 423 CA GLU A 32 10.521 -8.654 4.700 1.00 0.00 C ATOM 424 C GLU A 32 9.485 -9.278 3.769 1.00 0.00 C ATOM 425 O GLU A 32 9.456 -10.494 3.580 1.00 0.00 O ATOM 426 CB GLU A 32 11.909 -8.729 4.061 1.00 0.00 C ATOM 427 CG GLU A 32 12.190 -7.603 3.080 1.00 0.00 C ATOM 428 CD GLU A 32 13.666 -7.456 2.767 1.00 0.00 C ATOM 429 OE1 GLU A 32 14.493 -7.800 3.638 1.00 0.00 O ATOM 430 OE2 GLU A 32 13.995 -6.998 1.653 1.00 0.00 O ATOM 0 H GLU A 32 11.243 -10.034 6.104 1.00 0.00 H new ATOM 0 HA GLU A 32 10.258 -7.608 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.663 -8.711 4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.011 -9.683 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.643 -7.787 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.815 -6.666 3.491 1.00 0.00 H new ATOM 437 N LYS A 33 8.635 -8.436 3.190 1.00 0.00 N ATOM 438 CA LYS A 33 7.598 -8.902 2.278 1.00 0.00 C ATOM 439 C LYS A 33 8.096 -8.893 0.837 1.00 0.00 C ATOM 440 O LYS A 33 7.836 -9.823 0.074 1.00 0.00 O ATOM 441 CB LYS A 33 6.349 -8.026 2.403 1.00 0.00 C ATOM 442 CG LYS A 33 5.283 -8.335 1.366 1.00 0.00 C ATOM 443 CD LYS A 33 4.512 -9.596 1.718 1.00 0.00 C ATOM 444 CE LYS A 33 3.505 -9.954 0.636 1.00 0.00 C ATOM 445 NZ LYS A 33 4.132 -10.724 -0.473 1.00 0.00 N ATOM 0 H LYS A 33 8.645 -7.427 3.337 1.00 0.00 H new ATOM 0 HA LYS A 33 7.344 -9.927 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.924 -8.154 3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.639 -6.979 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.593 -7.495 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.749 -8.453 0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.209 -10.423 1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.994 -9.454 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.696 -10.540 1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.060 -9.042 0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.413 -10.948 -1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.887 -10.156 -0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.535 -11.607 -0.098 1.00 0.00 H new ATOM 459 N GLY A 34 8.816 -7.837 0.470 1.00 0.00 N ATOM 460 CA GLY A 34 9.340 -7.728 -0.878 1.00 0.00 C ATOM 461 C GLY A 34 9.569 -6.290 -1.297 1.00 0.00 C ATOM 462 O GLY A 34 8.670 -5.454 -1.190 1.00 0.00 O ATOM 0 H GLY A 34 9.046 -7.055 1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.280 -8.276 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.646 -8.200 -1.573 1.00 0.00 H new ATOM 466 N ILE A 35 10.774 -5.999 -1.775 1.00 0.00 N ATOM 467 CA ILE A 35 11.118 -4.651 -2.211 1.00 0.00 C ATOM 468 C ILE A 35 10.474 -4.327 -3.555 1.00 0.00 C ATOM 469 O ILE A 35 10.413 -5.172 -4.446 1.00 0.00 O ATOM 470 CB ILE A 35 12.643 -4.468 -2.327 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.327 -4.866 -1.018 1.00 0.00 C ATOM 472 CG2 ILE A 35 12.977 -3.029 -2.690 1.00 0.00 C ATOM 473 CD1 ILE A 35 14.827 -5.018 -1.142 1.00 0.00 C ATOM 0 H ILE A 35 11.529 -6.679 -1.870 1.00 0.00 H new ATOM 0 HA ILE A 35 10.736 -3.967 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 35 13.013 -5.117 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.108 -4.114 -0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 35 12.902 -5.807 -0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.058 -2.915 -2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.515 -2.778 -3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.597 -2.361 -1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.245 -5.301 -0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.055 -5.790 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.263 -4.072 -1.463 1.00 0.00 H new ATOM 485 N GLY A 36 9.996 -3.094 -3.694 1.00 0.00 N ATOM 486 CA GLY A 36 9.364 -2.678 -4.933 1.00 0.00 C ATOM 487 C GLY A 36 9.095 -1.187 -4.975 1.00 0.00 C ATOM 488 O GLY A 36 9.734 -0.412 -4.263 1.00 0.00 O ATOM 0 H GLY A 36 10.035 -2.376 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.002 -2.953 -5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.425 -3.217 -5.057 1.00 0.00 H new ATOM 492 N THR A 37 8.145 -0.783 -5.812 1.00 0.00 N ATOM 493 CA THR A 37 7.794 0.625 -5.947 1.00 0.00 C ATOM 494 C THR A 37 6.303 0.845 -5.714 1.00 0.00 C ATOM 495 O THR A 37 5.468 0.104 -6.234 1.00 0.00 O ATOM 496 CB THR A 37 8.170 1.168 -7.338 1.00 0.00 C ATOM 497 OG1 THR A 37 9.563 0.951 -7.589 1.00 0.00 O ATOM 498 CG2 THR A 37 7.856 2.653 -7.444 1.00 0.00 C ATOM 0 H THR A 37 7.605 -1.411 -6.407 1.00 0.00 H new ATOM 0 HA THR A 37 8.361 1.165 -5.189 1.00 0.00 H new ATOM 0 HB THR A 37 7.579 0.634 -8.083 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.793 1.298 -8.476 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.130 3.013 -8.436 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.790 2.812 -7.283 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.423 3.199 -6.690 1.00 0.00 H new ATOM 506 N LEU A 38 5.976 1.867 -4.931 1.00 0.00 N ATOM 507 CA LEU A 38 4.585 2.185 -4.630 1.00 0.00 C ATOM 508 C LEU A 38 3.986 3.083 -5.708 1.00 0.00 C ATOM 509 O LEU A 38 4.623 4.033 -6.164 1.00 0.00 O ATOM 510 CB LEU A 38 4.481 2.868 -3.265 1.00 0.00 C ATOM 511 CG LEU A 38 3.065 3.168 -2.771 1.00 0.00 C ATOM 512 CD1 LEU A 38 2.460 4.324 -3.553 1.00 0.00 C ATOM 513 CD2 LEU A 38 2.188 1.930 -2.882 1.00 0.00 C ATOM 0 H LEU A 38 6.655 2.489 -4.493 1.00 0.00 H new ATOM 0 HA LEU A 38 4.022 1.252 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.976 2.237 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.036 3.805 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 38 3.121 3.456 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.453 4.523 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.076 5.214 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.418 4.065 -4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.184 2.162 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.139 1.611 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.611 1.129 -2.276 1.00 0.00 H new ATOM 525 N HIS A 39 2.756 2.777 -6.110 1.00 0.00 N ATOM 526 CA HIS A 39 2.070 3.559 -7.133 1.00 0.00 C ATOM 527 C HIS A 39 0.643 3.883 -6.702 1.00 0.00 C ATOM 528 O HIS A 39 -0.162 2.984 -6.455 1.00 0.00 O ATOM 529 CB HIS A 39 2.054 2.799 -8.460 1.00 0.00 C ATOM 530 CG HIS A 39 3.415 2.387 -8.930 1.00 0.00 C ATOM 531 ND1 HIS A 39 4.291 3.253 -9.549 1.00 0.00 N ATOM 532 CD2 HIS A 39 4.049 1.193 -8.868 1.00 0.00 C ATOM 533 CE1 HIS A 39 5.405 2.609 -9.849 1.00 0.00 C ATOM 534 NE2 HIS A 39 5.284 1.357 -9.446 1.00 0.00 N ATOM 0 H HIS A 39 2.215 1.994 -5.743 1.00 0.00 H new ATOM 0 HA HIS A 39 2.613 4.495 -7.265 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.431 1.911 -8.353 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.589 3.425 -9.222 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.657 0.281 -8.443 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.268 3.034 -10.340 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.992 0.630 -9.548 1.00 0.00 H new ATOM 542 N LEU A 40 0.336 5.172 -6.613 1.00 0.00 N ATOM 543 CA LEU A 40 -0.995 5.616 -6.210 1.00 0.00 C ATOM 544 C LEU A 40 -1.792 6.106 -7.415 1.00 0.00 C ATOM 545 O LEU A 40 -1.283 6.857 -8.247 1.00 0.00 O ATOM 546 CB LEU A 40 -0.888 6.730 -5.167 1.00 0.00 C ATOM 547 CG LEU A 40 -0.826 6.279 -3.708 1.00 0.00 C ATOM 548 CD1 LEU A 40 -0.559 7.465 -2.793 1.00 0.00 C ATOM 549 CD2 LEU A 40 -2.117 5.578 -3.311 1.00 0.00 C ATOM 0 H LEU A 40 0.990 5.929 -6.814 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.519 4.766 -5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.004 7.318 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.744 7.394 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.004 5.571 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.518 7.124 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.392 7.925 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.359 8.197 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.055 5.264 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.956 6.263 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.266 4.704 -3.945 1.00 0.00 H new ATOM 561 N LYS A 41 -3.047 5.678 -7.500 1.00 0.00 N ATOM 562 CA LYS A 41 -3.918 6.074 -8.600 1.00 0.00 C ATOM 563 C LYS A 41 -5.367 6.183 -8.135 1.00 0.00 C ATOM 564 O LYS A 41 -5.885 5.314 -7.432 1.00 0.00 O ATOM 565 CB LYS A 41 -3.814 5.069 -9.749 1.00 0.00 C ATOM 566 CG LYS A 41 -3.932 3.622 -9.303 1.00 0.00 C ATOM 567 CD LYS A 41 -3.739 2.662 -10.465 1.00 0.00 C ATOM 568 CE LYS A 41 -3.323 1.280 -9.984 1.00 0.00 C ATOM 569 NZ LYS A 41 -4.449 0.558 -9.331 1.00 0.00 N ATOM 0 H LYS A 41 -3.484 5.056 -6.820 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.593 7.053 -8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.596 5.281 -10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.859 5.207 -10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.189 3.416 -8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.911 3.458 -8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.666 2.587 -11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.981 3.056 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.958 0.696 -10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.495 1.374 -9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.110 0.100 -8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.204 1.233 -9.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.821 -0.165 -9.980 1.00 0.00 H new ATOM 583 N PRO A 42 -6.038 7.273 -8.536 1.00 0.00 N ATOM 584 CA PRO A 42 -7.437 7.519 -8.173 1.00 0.00 C ATOM 585 C PRO A 42 -8.394 6.554 -8.866 1.00 0.00 C ATOM 586 O PRO A 42 -8.180 6.169 -10.016 1.00 0.00 O ATOM 587 CB PRO A 42 -7.681 8.951 -8.653 1.00 0.00 C ATOM 588 CG PRO A 42 -6.694 9.157 -9.750 1.00 0.00 C ATOM 589 CD PRO A 42 -5.484 8.348 -9.374 1.00 0.00 C ATOM 0 HA PRO A 42 -7.613 7.377 -7.107 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.703 9.080 -9.010 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.532 9.669 -7.847 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.100 8.830 -10.707 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.441 10.212 -9.855 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.977 7.951 -10.254 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.754 8.947 -8.829 1.00 0.00 H new ATOM 597 N THR A 43 -9.451 6.167 -8.159 1.00 0.00 N ATOM 598 CA THR A 43 -10.441 5.247 -8.706 1.00 0.00 C ATOM 599 C THR A 43 -11.682 5.994 -9.183 1.00 0.00 C ATOM 600 O THR A 43 -11.871 7.168 -8.865 1.00 0.00 O ATOM 601 CB THR A 43 -10.859 4.189 -7.668 1.00 0.00 C ATOM 602 OG1 THR A 43 -11.521 4.820 -6.566 1.00 0.00 O ATOM 603 CG2 THR A 43 -9.649 3.417 -7.164 1.00 0.00 C ATOM 0 H THR A 43 -9.644 6.476 -7.206 1.00 0.00 H new ATOM 0 HA THR A 43 -9.973 4.747 -9.554 1.00 0.00 H new ATOM 0 HB THR A 43 -11.542 3.489 -8.150 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.176 4.201 -6.180 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.969 2.676 -6.432 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.164 2.915 -8.001 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.946 4.107 -6.698 1.00 0.00 H new ATOM 611 N ALA A 44 -12.524 5.305 -9.946 1.00 0.00 N ATOM 612 CA ALA A 44 -13.749 5.903 -10.463 1.00 0.00 C ATOM 613 C ALA A 44 -14.624 6.429 -9.331 1.00 0.00 C ATOM 614 O ALA A 44 -15.364 7.397 -9.504 1.00 0.00 O ATOM 615 CB ALA A 44 -14.517 4.892 -11.300 1.00 0.00 C ATOM 0 H ALA A 44 -12.381 4.333 -10.220 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.473 6.747 -11.095 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.429 5.352 -11.680 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.899 4.568 -12.137 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.774 4.030 -10.684 1.00 0.00 H new ATOM 621 N ASN A 45 -14.535 5.785 -8.172 1.00 0.00 N ATOM 622 CA ASN A 45 -15.321 6.187 -7.011 1.00 0.00 C ATOM 623 C ASN A 45 -14.632 7.319 -6.254 1.00 0.00 C ATOM 624 O ASN A 45 -14.999 7.636 -5.123 1.00 0.00 O ATOM 625 CB ASN A 45 -15.539 4.994 -6.078 1.00 0.00 C ATOM 626 CG ASN A 45 -16.747 4.166 -6.472 1.00 0.00 C ATOM 627 OD1 ASN A 45 -17.878 4.485 -6.106 1.00 0.00 O ATOM 628 ND2 ASN A 45 -16.511 3.096 -7.221 1.00 0.00 N ATOM 0 H ASN A 45 -13.926 4.982 -8.012 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.288 6.545 -7.364 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -14.651 4.363 -6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -15.665 5.353 -5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.284 2.500 -7.517 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.557 2.870 -7.501 1.00 0.00 H new ATOM 635 N GLN A 46 -13.633 7.925 -6.888 1.00 0.00 N ATOM 636 CA GLN A 46 -12.894 9.022 -6.274 1.00 0.00 C ATOM 637 C GLN A 46 -12.211 8.567 -4.989 1.00 0.00 C ATOM 638 O GLN A 46 -12.131 9.317 -4.016 1.00 0.00 O ATOM 639 CB GLN A 46 -13.831 10.195 -5.980 1.00 0.00 C ATOM 640 CG GLN A 46 -14.204 11.000 -7.215 1.00 0.00 C ATOM 641 CD GLN A 46 -13.000 11.628 -7.888 1.00 0.00 C ATOM 642 OE1 GLN A 46 -12.356 12.517 -7.331 1.00 0.00 O ATOM 643 NE2 GLN A 46 -12.689 11.167 -9.094 1.00 0.00 N ATOM 0 H GLN A 46 -13.317 7.675 -7.825 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.126 9.347 -6.976 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.741 9.815 -5.516 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.356 10.856 -5.255 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.716 10.351 -7.926 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.908 11.783 -6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.251 10.429 -9.518 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.888 11.551 -9.596 1.00 0.00 H new ATOM 652 N LYS A 47 -11.721 7.332 -4.991 1.00 0.00 N ATOM 653 CA LYS A 47 -11.044 6.775 -3.826 1.00 0.00 C ATOM 654 C LYS A 47 -9.541 6.670 -4.068 1.00 0.00 C ATOM 655 O LYS A 47 -9.051 7.004 -5.147 1.00 0.00 O ATOM 656 CB LYS A 47 -11.614 5.395 -3.490 1.00 0.00 C ATOM 657 CG LYS A 47 -13.114 5.399 -3.250 1.00 0.00 C ATOM 658 CD LYS A 47 -13.542 4.228 -2.382 1.00 0.00 C ATOM 659 CE LYS A 47 -13.405 4.552 -0.902 1.00 0.00 C ATOM 660 NZ LYS A 47 -14.442 5.519 -0.447 1.00 0.00 N ATOM 0 H LYS A 47 -11.780 6.697 -5.787 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.213 7.446 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.387 4.709 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.113 5.011 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.404 6.334 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.637 5.355 -4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.577 3.968 -2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.935 3.355 -2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.485 3.634 -0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.415 4.965 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.494 5.510 0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.192 6.475 -0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.365 5.249 -0.842 1.00 0.00 H new ATOM 674 N THR A 48 -8.814 6.204 -3.057 1.00 0.00 N ATOM 675 CA THR A 48 -7.368 6.055 -3.160 1.00 0.00 C ATOM 676 C THR A 48 -6.946 4.610 -2.925 1.00 0.00 C ATOM 677 O THR A 48 -6.945 4.131 -1.791 1.00 0.00 O ATOM 678 CB THR A 48 -6.637 6.962 -2.153 1.00 0.00 C ATOM 679 OG1 THR A 48 -7.123 8.305 -2.260 1.00 0.00 O ATOM 680 CG2 THR A 48 -5.135 6.941 -2.396 1.00 0.00 C ATOM 0 H THR A 48 -9.204 5.923 -2.157 1.00 0.00 H new ATOM 0 HA THR A 48 -7.091 6.351 -4.172 1.00 0.00 H new ATOM 0 HB THR A 48 -6.832 6.584 -1.150 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.644 8.529 -1.461 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.640 7.589 -1.673 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.763 5.923 -2.285 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.925 7.296 -3.405 1.00 0.00 H new ATOM 688 N GLN A 49 -6.587 3.920 -4.002 1.00 0.00 N ATOM 689 CA GLN A 49 -6.163 2.528 -3.911 1.00 0.00 C ATOM 690 C GLN A 49 -4.641 2.423 -3.886 1.00 0.00 C ATOM 691 O GLN A 49 -3.942 3.231 -4.499 1.00 0.00 O ATOM 692 CB GLN A 49 -6.721 1.724 -5.087 1.00 0.00 C ATOM 693 CG GLN A 49 -6.271 0.272 -5.100 1.00 0.00 C ATOM 694 CD GLN A 49 -6.479 -0.391 -6.447 1.00 0.00 C ATOM 695 OE1 GLN A 49 -5.640 -1.371 -6.761 1.00 0.00 O flip ATOM 696 NE2 GLN A 49 -7.385 -0.028 -7.198 1.00 0.00 N flip ATOM 0 H GLN A 49 -6.581 4.302 -4.948 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.554 2.116 -2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.810 1.758 -5.055 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.414 2.199 -6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.215 0.220 -4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.820 -0.281 -4.338 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.007 0.730 -6.917 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.513 -0.485 -8.101 1.00 0.00 H new ATOM 705 N LEU A 50 -4.134 1.424 -3.172 1.00 0.00 N ATOM 706 CA LEU A 50 -2.694 1.213 -3.066 1.00 0.00 C ATOM 707 C LEU A 50 -2.252 0.032 -3.924 1.00 0.00 C ATOM 708 O LEU A 50 -2.883 -1.026 -3.915 1.00 0.00 O ATOM 709 CB LEU A 50 -2.300 0.975 -1.607 1.00 0.00 C ATOM 710 CG LEU A 50 -0.820 1.166 -1.272 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.523 2.630 -0.986 1.00 0.00 C ATOM 712 CD2 LEU A 50 -0.426 0.298 -0.087 1.00 0.00 C ATOM 0 H LEU A 50 -4.698 0.747 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.192 2.110 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.884 1.648 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.585 -0.041 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.228 0.858 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.535 2.747 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.767 3.229 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.123 2.964 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.630 0.446 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.024 0.575 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.602 -0.750 -0.329 1.00 0.00 H new ATOM 724 N LEU A 51 -1.163 0.219 -4.662 1.00 0.00 N ATOM 725 CA LEU A 51 -0.634 -0.832 -5.524 1.00 0.00 C ATOM 726 C LEU A 51 0.891 -0.805 -5.542 1.00 0.00 C ATOM 727 O LEU A 51 1.500 0.204 -5.897 1.00 0.00 O ATOM 728 CB LEU A 51 -1.175 -0.673 -6.946 1.00 0.00 C ATOM 729 CG LEU A 51 -1.218 -1.945 -7.794 1.00 0.00 C ATOM 730 CD1 LEU A 51 -2.219 -2.936 -7.221 1.00 0.00 C ATOM 731 CD2 LEU A 51 -1.562 -1.611 -9.239 1.00 0.00 C ATOM 0 H LEU A 51 -0.630 1.088 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.957 -1.793 -5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.184 -0.266 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.564 0.065 -7.465 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.230 -2.406 -7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.235 -3.834 -7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.929 -3.199 -6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.211 -2.485 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.588 -2.528 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.538 -1.127 -9.278 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.807 -0.939 -9.647 1.00 0.00 H new ATOM 743 N VAL A 52 1.502 -1.922 -5.160 1.00 0.00 N ATOM 744 CA VAL A 52 2.956 -2.028 -5.135 1.00 0.00 C ATOM 745 C VAL A 52 3.442 -3.133 -6.066 1.00 0.00 C ATOM 746 O VAL A 52 3.158 -4.311 -5.848 1.00 0.00 O ATOM 747 CB VAL A 52 3.475 -2.305 -3.712 1.00 0.00 C ATOM 748 CG1 VAL A 52 4.977 -2.543 -3.728 1.00 0.00 C ATOM 749 CG2 VAL A 52 3.118 -1.155 -2.782 1.00 0.00 C ATOM 0 H VAL A 52 1.013 -2.766 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 52 3.349 -1.070 -5.476 1.00 0.00 H new ATOM 0 HB VAL A 52 2.993 -3.208 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.325 -2.737 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.203 -3.402 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.481 -1.661 -4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.492 -1.367 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.571 -0.235 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.035 -1.038 -2.747 1.00 0.00 H new ATOM 759 N ARG A 53 4.177 -2.746 -7.103 1.00 0.00 N ATOM 760 CA ARG A 53 4.703 -3.704 -8.068 1.00 0.00 C ATOM 761 C ARG A 53 6.061 -4.236 -7.620 1.00 0.00 C ATOM 762 O ARG A 53 6.908 -3.482 -7.144 1.00 0.00 O ATOM 763 CB ARG A 53 4.827 -3.055 -9.448 1.00 0.00 C ATOM 764 CG ARG A 53 3.494 -2.627 -10.041 1.00 0.00 C ATOM 765 CD ARG A 53 3.687 -1.782 -11.291 1.00 0.00 C ATOM 766 NE ARG A 53 3.958 -2.601 -12.469 1.00 0.00 N ATOM 767 CZ ARG A 53 4.602 -2.155 -13.542 1.00 0.00 C ATOM 768 NH1 ARG A 53 5.039 -0.905 -13.584 1.00 0.00 N ATOM 769 NH2 ARG A 53 4.809 -2.961 -14.575 1.00 0.00 N ATOM 0 H ARG A 53 4.422 -1.775 -7.297 1.00 0.00 H new ATOM 0 HA ARG A 53 4.006 -4.540 -8.129 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.478 -2.184 -9.374 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.309 -3.757 -10.128 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.903 -3.510 -10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.930 -2.060 -9.300 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.794 -1.182 -11.464 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.512 -1.087 -11.135 1.00 0.00 H new ATOM 0 HE ARG A 53 3.635 -3.569 -12.468 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.881 -0.283 -12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.533 -0.565 -14.409 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.474 -3.924 -14.546 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.303 -2.618 -15.399 1.00 0.00 H new ATOM 783 N ALA A 54 6.260 -5.541 -7.777 1.00 0.00 N ATOM 784 CA ALA A 54 7.515 -6.174 -7.391 1.00 0.00 C ATOM 785 C ALA A 54 8.690 -5.579 -8.161 1.00 0.00 C ATOM 786 O ALA A 54 8.613 -5.381 -9.374 1.00 0.00 O ATOM 787 CB ALA A 54 7.440 -7.677 -7.618 1.00 0.00 C ATOM 0 H ALA A 54 5.568 -6.180 -8.169 1.00 0.00 H new ATOM 0 HA ALA A 54 7.677 -5.985 -6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.384 -8.137 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.631 -8.096 -7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.251 -7.877 -8.673 1.00 0.00 H new ATOM 793 N ASP A 55 9.775 -5.297 -7.449 1.00 0.00 N ATOM 794 CA ASP A 55 10.966 -4.725 -8.066 1.00 0.00 C ATOM 795 C ASP A 55 11.392 -5.539 -9.284 1.00 0.00 C ATOM 796 O ASP A 55 11.676 -4.985 -10.347 1.00 0.00 O ATOM 797 CB ASP A 55 12.111 -4.662 -7.053 1.00 0.00 C ATOM 798 CG ASP A 55 13.432 -4.287 -7.696 1.00 0.00 C ATOM 799 OD1 ASP A 55 13.440 -3.373 -8.546 1.00 0.00 O ATOM 800 OD2 ASP A 55 14.458 -4.909 -7.349 1.00 0.00 O ATOM 0 H ASP A 55 9.855 -5.455 -6.444 1.00 0.00 H new ATOM 0 HA ASP A 55 10.725 -3.714 -8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.868 -3.935 -6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.211 -5.630 -6.561 1.00 0.00 H new ATOM 805 N THR A 56 11.435 -6.858 -9.122 1.00 0.00 N ATOM 806 CA THR A 56 11.828 -7.748 -10.207 1.00 0.00 C ATOM 807 C THR A 56 10.975 -7.513 -11.448 1.00 0.00 C ATOM 808 O THR A 56 9.858 -7.005 -11.358 1.00 0.00 O ATOM 809 CB THR A 56 11.712 -9.226 -9.790 1.00 0.00 C ATOM 810 OG1 THR A 56 12.270 -10.067 -10.806 1.00 0.00 O ATOM 811 CG2 THR A 56 10.259 -9.608 -9.551 1.00 0.00 C ATOM 0 H THR A 56 11.202 -7.333 -8.250 1.00 0.00 H new ATOM 0 HA THR A 56 12.869 -7.524 -10.438 1.00 0.00 H new ATOM 0 HB THR A 56 12.265 -9.363 -8.861 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.194 -11.005 -10.532 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.202 -10.656 -9.258 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.845 -8.986 -8.757 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.687 -9.456 -10.467 1.00 0.00 H new ATOM 819 N ASN A 57 11.508 -7.886 -12.607 1.00 0.00 N ATOM 820 CA ASN A 57 10.794 -7.715 -13.867 1.00 0.00 C ATOM 821 C ASN A 57 9.324 -8.091 -13.714 1.00 0.00 C ATOM 822 O ASN A 57 8.435 -7.342 -14.122 1.00 0.00 O ATOM 823 CB ASN A 57 11.439 -8.568 -14.962 1.00 0.00 C ATOM 824 CG ASN A 57 10.892 -8.250 -16.340 1.00 0.00 C ATOM 825 OD1 ASN A 57 10.104 -7.319 -16.507 1.00 0.00 O ATOM 826 ND2 ASN A 57 11.309 -9.024 -17.335 1.00 0.00 N ATOM 0 H ASN A 57 12.432 -8.309 -12.700 1.00 0.00 H new ATOM 0 HA ASN A 57 10.854 -6.664 -14.151 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.517 -8.407 -14.956 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.273 -9.623 -14.743 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.975 -8.858 -18.284 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.963 -9.785 -17.150 1.00 0.00 H new ATOM 833 N LEU A 58 9.074 -9.254 -13.123 1.00 0.00 N ATOM 834 CA LEU A 58 7.711 -9.730 -12.915 1.00 0.00 C ATOM 835 C LEU A 58 6.907 -8.734 -12.085 1.00 0.00 C ATOM 836 O LEU A 58 7.206 -8.503 -10.914 1.00 0.00 O ATOM 837 CB LEU A 58 7.725 -11.094 -12.223 1.00 0.00 C ATOM 838 CG LEU A 58 6.362 -11.753 -12.009 1.00 0.00 C ATOM 839 CD1 LEU A 58 5.866 -12.384 -13.301 1.00 0.00 C ATOM 840 CD2 LEU A 58 6.440 -12.792 -10.901 1.00 0.00 C ATOM 0 H LEU A 58 9.798 -9.885 -12.779 1.00 0.00 H new ATOM 0 HA LEU A 58 7.235 -9.830 -13.891 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.345 -11.771 -12.811 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.208 -10.981 -11.252 1.00 0.00 H new ATOM 0 HG LEU A 58 5.651 -10.984 -11.708 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.895 -12.848 -13.130 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.771 -11.615 -14.068 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.577 -13.141 -13.632 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.461 -13.251 -10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.165 -13.559 -11.172 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.750 -12.312 -9.973 1.00 0.00 H new ATOM 852 N GLY A 59 5.884 -8.148 -12.700 1.00 0.00 N ATOM 853 CA GLY A 59 5.052 -7.185 -12.002 1.00 0.00 C ATOM 854 C GLY A 59 4.077 -7.846 -11.048 1.00 0.00 C ATOM 855 O GLY A 59 2.891 -7.520 -11.037 1.00 0.00 O ATOM 0 H GLY A 59 5.617 -8.323 -13.669 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.688 -6.495 -11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.498 -6.593 -12.730 1.00 0.00 H new ATOM 859 N ASN A 60 4.578 -8.778 -10.244 1.00 0.00 N ATOM 860 CA ASN A 60 3.743 -9.488 -9.283 1.00 0.00 C ATOM 861 C ASN A 60 3.262 -8.549 -8.182 1.00 0.00 C ATOM 862 O ASN A 60 4.063 -7.873 -7.535 1.00 0.00 O ATOM 863 CB ASN A 60 4.515 -10.658 -8.670 1.00 0.00 C ATOM 864 CG ASN A 60 3.838 -11.213 -7.432 1.00 0.00 C ATOM 865 OD1 ASN A 60 2.697 -11.673 -7.488 1.00 0.00 O ATOM 866 ND2 ASN A 60 4.539 -11.171 -6.305 1.00 0.00 N ATOM 0 H ASN A 60 5.559 -9.059 -10.239 1.00 0.00 H new ATOM 0 HA ASN A 60 2.872 -9.874 -9.813 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.617 -11.451 -9.411 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.522 -10.330 -8.414 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.135 -11.529 -5.439 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.481 -10.781 -6.305 1.00 0.00 H new ATOM 873 N ILE A 61 1.950 -8.512 -7.974 1.00 0.00 N ATOM 874 CA ILE A 61 1.363 -7.656 -6.950 1.00 0.00 C ATOM 875 C ILE A 61 1.796 -8.093 -5.554 1.00 0.00 C ATOM 876 O ILE A 61 1.559 -9.231 -5.146 1.00 0.00 O ATOM 877 CB ILE A 61 -0.175 -7.664 -7.024 1.00 0.00 C ATOM 878 CG1 ILE A 61 -0.644 -7.173 -8.395 1.00 0.00 C ATOM 879 CG2 ILE A 61 -0.763 -6.802 -5.917 1.00 0.00 C ATOM 880 CD1 ILE A 61 -2.119 -7.398 -8.645 1.00 0.00 C ATOM 0 H ILE A 61 1.274 -9.065 -8.501 1.00 0.00 H new ATOM 0 HA ILE A 61 1.723 -6.645 -7.140 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.525 -8.687 -6.886 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.427 -6.109 -8.485 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.071 -7.682 -9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.851 -6.818 -5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.452 -7.192 -4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.408 -5.777 -6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.381 -7.026 -9.635 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.339 -8.464 -8.588 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.701 -6.866 -7.892 1.00 0.00 H new ATOM 892 N LEU A 62 2.431 -7.182 -4.826 1.00 0.00 N ATOM 893 CA LEU A 62 2.896 -7.472 -3.474 1.00 0.00 C ATOM 894 C LEU A 62 1.806 -7.178 -2.448 1.00 0.00 C ATOM 895 O LEU A 62 1.582 -7.959 -1.523 1.00 0.00 O ATOM 896 CB LEU A 62 4.146 -6.649 -3.156 1.00 0.00 C ATOM 897 CG LEU A 62 5.457 -7.164 -3.749 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.593 -6.195 -3.457 1.00 0.00 C ATOM 899 CD2 LEU A 62 5.781 -8.548 -3.205 1.00 0.00 C ATOM 0 H LEU A 62 2.636 -6.236 -5.149 1.00 0.00 H new ATOM 0 HA LEU A 62 3.143 -8.532 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.986 -5.631 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.256 -6.597 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 62 5.340 -7.238 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.518 -6.579 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.364 -5.224 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.711 -6.087 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.718 -8.899 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.878 -8.499 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.979 -9.239 -3.466 1.00 0.00 H new ATOM 911 N LEU A 63 1.128 -6.048 -2.620 1.00 0.00 N ATOM 912 CA LEU A 63 0.058 -5.652 -1.710 1.00 0.00 C ATOM 913 C LEU A 63 -0.895 -4.671 -2.386 1.00 0.00 C ATOM 914 O LEU A 63 -0.499 -3.573 -2.773 1.00 0.00 O ATOM 915 CB LEU A 63 0.645 -5.022 -0.446 1.00 0.00 C ATOM 916 CG LEU A 63 -0.352 -4.324 0.481 1.00 0.00 C ATOM 917 CD1 LEU A 63 -1.028 -5.334 1.395 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.345 -3.246 1.298 1.00 0.00 C ATOM 0 H LEU A 63 1.300 -5.390 -3.380 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.503 -6.545 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.154 -5.801 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.403 -4.297 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.118 -3.849 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.734 -4.819 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.561 -6.070 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.275 -5.838 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.379 -2.760 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.132 -3.698 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.782 -2.506 0.627 1.00 0.00 H new ATOM 930 N ASN A 64 -2.154 -5.075 -2.521 1.00 0.00 N ATOM 931 CA ASN A 64 -3.164 -4.231 -3.147 1.00 0.00 C ATOM 932 C ASN A 64 -4.366 -4.045 -2.226 1.00 0.00 C ATOM 933 O ASN A 64 -5.157 -4.967 -2.026 1.00 0.00 O ATOM 934 CB ASN A 64 -3.616 -4.841 -4.476 1.00 0.00 C ATOM 935 CG ASN A 64 -4.771 -4.081 -5.098 1.00 0.00 C ATOM 936 OD1 ASN A 64 -5.560 -3.446 -4.398 1.00 0.00 O ATOM 937 ND2 ASN A 64 -4.876 -4.142 -6.421 1.00 0.00 N ATOM 0 H ASN A 64 -2.499 -5.982 -2.205 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.719 -3.254 -3.335 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.776 -4.853 -5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.912 -5.878 -4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.633 -3.650 -6.896 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.199 -4.680 -6.962 1.00 0.00 H new ATOM 944 N VAL A 65 -4.496 -2.846 -1.667 1.00 0.00 N ATOM 945 CA VAL A 65 -5.602 -2.538 -0.768 1.00 0.00 C ATOM 946 C VAL A 65 -6.074 -1.100 -0.950 1.00 0.00 C ATOM 947 O VAL A 65 -5.301 -0.226 -1.346 1.00 0.00 O ATOM 948 CB VAL A 65 -5.204 -2.753 0.705 1.00 0.00 C ATOM 949 CG1 VAL A 65 -5.050 -4.236 1.005 1.00 0.00 C ATOM 950 CG2 VAL A 65 -3.923 -1.999 1.025 1.00 0.00 C ATOM 0 H VAL A 65 -3.849 -2.072 -1.821 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.415 -3.219 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.998 -2.360 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.769 -4.369 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.995 -4.745 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.276 -4.658 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.656 -2.162 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.118 -2.360 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.075 -0.934 0.851 1.00 0.00 H new ATOM 960 N LEU A 66 -7.348 -0.860 -0.660 1.00 0.00 N ATOM 961 CA LEU A 66 -7.925 0.473 -0.791 1.00 0.00 C ATOM 962 C LEU A 66 -7.815 1.245 0.520 1.00 0.00 C ATOM 963 O LEU A 66 -8.360 0.831 1.543 1.00 0.00 O ATOM 964 CB LEU A 66 -9.391 0.376 -1.218 1.00 0.00 C ATOM 965 CG LEU A 66 -10.199 1.672 -1.142 1.00 0.00 C ATOM 966 CD1 LEU A 66 -9.786 2.624 -2.253 1.00 0.00 C ATOM 967 CD2 LEU A 66 -11.690 1.376 -1.217 1.00 0.00 C ATOM 0 H LEU A 66 -8.001 -1.572 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.365 1.011 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.426 0.009 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.882 -0.372 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.992 2.151 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.372 3.541 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.727 2.861 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.963 2.153 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.250 2.310 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.914 0.874 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.975 0.732 -0.385 1.00 0.00 H new ATOM 979 N ILE A 67 -7.110 2.371 0.480 1.00 0.00 N ATOM 980 CA ILE A 67 -6.932 3.203 1.663 1.00 0.00 C ATOM 981 C ILE A 67 -8.277 3.615 2.252 1.00 0.00 C ATOM 982 O ILE A 67 -9.005 4.431 1.688 1.00 0.00 O ATOM 983 CB ILE A 67 -6.114 4.468 1.344 1.00 0.00 C ATOM 984 CG1 ILE A 67 -4.712 4.087 0.862 1.00 0.00 C ATOM 985 CG2 ILE A 67 -6.033 5.369 2.568 1.00 0.00 C ATOM 986 CD1 ILE A 67 -3.922 5.257 0.319 1.00 0.00 C ATOM 0 H ILE A 67 -6.653 2.728 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.387 2.603 2.392 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.616 5.016 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.161 3.640 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.797 3.325 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.452 6.259 2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.038 5.663 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.551 4.831 3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.939 4.914 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.451 5.691 -0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.805 6.010 1.098 1.00 0.00 H new ATOM 998 N PRO A 68 -8.614 3.040 3.416 1.00 0.00 N ATOM 999 CA PRO A 68 -9.872 3.335 4.109 1.00 0.00 C ATOM 1000 C PRO A 68 -9.899 4.746 4.686 1.00 0.00 C ATOM 1001 O PRO A 68 -8.871 5.413 4.808 1.00 0.00 O ATOM 1002 CB PRO A 68 -9.909 2.297 5.233 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.480 1.953 5.479 1.00 0.00 C ATOM 1004 CD PRO A 68 -7.794 2.058 4.145 1.00 0.00 C ATOM 0 HA PRO A 68 -10.729 3.287 3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.379 2.701 6.130 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.483 1.418 4.941 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.033 2.635 6.202 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.385 0.947 5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.762 2.394 4.249 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.766 1.097 3.631 1.00 0.00 H new ATOM 1012 N PRO A 69 -11.102 5.214 5.051 1.00 0.00 N ATOM 1013 CA PRO A 69 -11.291 6.550 5.623 1.00 0.00 C ATOM 1014 C PRO A 69 -10.711 6.668 7.028 1.00 0.00 C ATOM 1015 O PRO A 69 -9.976 7.608 7.329 1.00 0.00 O ATOM 1016 CB PRO A 69 -12.813 6.708 5.658 1.00 0.00 C ATOM 1017 CG PRO A 69 -13.338 5.315 5.720 1.00 0.00 C ATOM 1018 CD PRO A 69 -12.370 4.474 4.935 1.00 0.00 C ATOM 0 HA PRO A 69 -10.782 7.318 5.041 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.131 7.290 6.523 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -13.177 7.229 4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.408 4.970 6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.340 5.256 5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.287 3.468 5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.680 4.369 3.895 1.00 0.00 H new ATOM 1026 N ASN A 70 -11.045 5.707 7.883 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.556 5.704 9.257 1.00 0.00 C ATOM 1028 C ASN A 70 -9.163 5.085 9.337 1.00 0.00 C ATOM 1029 O ASN A 70 -8.710 4.689 10.411 1.00 0.00 O ATOM 1030 CB ASN A 70 -11.520 4.934 10.162 1.00 0.00 C ATOM 1031 CG ASN A 70 -12.955 5.399 10.005 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -13.500 5.405 8.900 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -13.575 5.791 11.112 1.00 0.00 N ATOM 0 H ASN A 70 -11.652 4.921 7.649 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.496 6.738 9.597 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.458 3.870 9.933 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.213 5.054 11.201 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.542 6.114 11.068 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.085 5.769 12.006 1.00 0.00 H new ATOM 1040 N MET A 71 -8.489 5.008 8.195 1.00 0.00 N ATOM 1041 CA MET A 71 -7.148 4.439 8.136 1.00 0.00 C ATOM 1042 C MET A 71 -6.235 5.094 9.168 1.00 0.00 C ATOM 1043 O MET A 71 -5.818 6.243 9.023 1.00 0.00 O ATOM 1044 CB MET A 71 -6.559 4.611 6.734 1.00 0.00 C ATOM 1045 CG MET A 71 -5.453 3.618 6.414 1.00 0.00 C ATOM 1046 SD MET A 71 -4.293 4.244 5.183 1.00 0.00 S ATOM 1047 CE MET A 71 -3.434 5.496 6.133 1.00 0.00 C ATOM 0 H MET A 71 -8.849 5.332 7.298 1.00 0.00 H new ATOM 0 HA MET A 71 -7.220 3.375 8.363 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.356 4.504 5.998 1.00 0.00 H new ATOM 0 HB3 MET A 71 -6.167 5.623 6.635 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.911 3.376 7.328 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.896 2.691 6.051 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.457 5.684 5.688 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.017 6.417 6.132 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.305 5.150 7.158 1.00 0.00 H new ATOM 1057 N PRO A 72 -5.916 4.347 10.235 1.00 0.00 N ATOM 1058 CA PRO A 72 -5.048 4.835 11.312 1.00 0.00 C ATOM 1059 C PRO A 72 -3.599 4.989 10.864 1.00 0.00 C ATOM 1060 O PRO A 72 -2.996 4.048 10.345 1.00 0.00 O ATOM 1061 CB PRO A 72 -5.164 3.747 12.382 1.00 0.00 C ATOM 1062 CG PRO A 72 -5.529 2.514 11.630 1.00 0.00 C ATOM 1063 CD PRO A 72 -6.376 2.969 10.474 1.00 0.00 C ATOM 0 HA PRO A 72 -5.345 5.825 11.658 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.225 3.619 12.920 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.924 3.999 13.122 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.638 1.993 11.280 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.077 1.818 12.265 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.230 2.339 9.597 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.438 2.936 10.717 1.00 0.00 H new ATOM 1071 N CYS A 73 -3.045 6.179 11.067 1.00 0.00 N ATOM 1072 CA CYS A 73 -1.665 6.456 10.683 1.00 0.00 C ATOM 1073 C CYS A 73 -0.810 6.756 11.910 1.00 0.00 C ATOM 1074 O CYS A 73 -1.230 7.481 12.812 1.00 0.00 O ATOM 1075 CB CYS A 73 -1.612 7.633 9.709 1.00 0.00 C ATOM 1076 SG CYS A 73 -0.090 7.717 8.735 1.00 0.00 S ATOM 0 H CYS A 73 -3.530 6.968 11.495 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.265 5.569 10.192 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.462 7.567 9.030 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.723 8.561 10.270 1.00 0.00 H new ATOM 0 HG CYS A 73 0.613 8.742 9.116 1.00 0.00 H new ATOM 1082 N THR A 74 0.394 6.192 11.938 1.00 0.00 N ATOM 1083 CA THR A 74 1.308 6.397 13.054 1.00 0.00 C ATOM 1084 C THR A 74 2.719 6.699 12.562 1.00 0.00 C ATOM 1085 O THR A 74 3.416 5.815 12.064 1.00 0.00 O ATOM 1086 CB THR A 74 1.352 5.164 13.977 1.00 0.00 C ATOM 1087 OG1 THR A 74 1.444 3.969 13.194 1.00 0.00 O ATOM 1088 CG2 THR A 74 0.114 5.105 14.860 1.00 0.00 C ATOM 0 H THR A 74 0.758 5.590 11.200 1.00 0.00 H new ATOM 0 HA THR A 74 0.932 7.251 13.617 1.00 0.00 H new ATOM 0 HB THR A 74 2.231 5.247 14.616 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.698 4.198 12.276 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.167 4.226 15.503 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.063 6.003 15.476 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.776 5.043 14.234 1.00 0.00 H new ATOM 1096 N ARG A 75 3.134 7.954 12.704 1.00 0.00 N ATOM 1097 CA ARG A 75 4.462 8.373 12.273 1.00 0.00 C ATOM 1098 C ARG A 75 5.530 7.877 13.244 1.00 0.00 C ATOM 1099 O ARG A 75 5.563 8.280 14.407 1.00 0.00 O ATOM 1100 CB ARG A 75 4.528 9.897 12.160 1.00 0.00 C ATOM 1101 CG ARG A 75 5.832 10.408 11.571 1.00 0.00 C ATOM 1102 CD ARG A 75 5.963 10.036 10.102 1.00 0.00 C ATOM 1103 NE ARG A 75 6.762 11.008 9.361 1.00 0.00 N ATOM 1104 CZ ARG A 75 8.082 11.113 9.473 1.00 0.00 C ATOM 1105 NH1 ARG A 75 8.747 10.310 10.292 1.00 0.00 N ATOM 1106 NH2 ARG A 75 8.739 12.023 8.765 1.00 0.00 N ATOM 0 H ARG A 75 2.569 8.698 13.114 1.00 0.00 H new ATOM 0 HA ARG A 75 4.654 7.935 11.294 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.700 10.243 11.542 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.391 10.333 13.150 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.881 11.492 11.679 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.672 9.993 12.129 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.421 9.050 10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.971 9.966 9.656 1.00 0.00 H new ATOM 0 HE ARG A 75 6.281 11.641 8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.245 9.609 10.838 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.760 10.393 10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.231 12.643 8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.752 12.103 8.852 1.00 0.00 H new ATOM 1120 N THR A 76 6.403 7.000 12.758 1.00 0.00 N ATOM 1121 CA THR A 76 7.471 6.448 13.582 1.00 0.00 C ATOM 1122 C THR A 76 8.839 6.889 13.076 1.00 0.00 C ATOM 1123 O THR A 76 9.018 7.150 11.887 1.00 0.00 O ATOM 1124 CB THR A 76 7.419 4.909 13.612 1.00 0.00 C ATOM 1125 OG1 THR A 76 8.546 4.394 14.329 1.00 0.00 O ATOM 1126 CG2 THR A 76 7.406 4.340 12.201 1.00 0.00 C ATOM 0 H THR A 76 6.391 6.657 11.798 1.00 0.00 H new ATOM 0 HA THR A 76 7.320 6.829 14.592 1.00 0.00 H new ATOM 0 HB THR A 76 6.500 4.609 14.116 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.504 3.415 14.345 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.369 3.252 12.248 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.530 4.710 11.667 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.309 4.650 11.675 1.00 0.00 H new ATOM 1134 N GLY A 77 9.804 6.970 13.987 1.00 0.00 N ATOM 1135 CA GLY A 77 11.145 7.380 13.613 1.00 0.00 C ATOM 1136 C GLY A 77 11.152 8.632 12.759 1.00 0.00 C ATOM 1137 O GLY A 77 10.331 9.529 12.952 1.00 0.00 O ATOM 0 H GLY A 77 9.681 6.759 14.977 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.732 7.556 14.514 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.631 6.570 13.069 1.00 0.00 H new ATOM 1141 N LYS A 78 12.081 8.695 11.811 1.00 0.00 N ATOM 1142 CA LYS A 78 12.193 9.847 10.924 1.00 0.00 C ATOM 1143 C LYS A 78 11.954 9.441 9.473 1.00 0.00 C ATOM 1144 O LYS A 78 11.425 10.218 8.680 1.00 0.00 O ATOM 1145 CB LYS A 78 13.574 10.492 11.063 1.00 0.00 C ATOM 1146 CG LYS A 78 14.700 9.649 10.489 1.00 0.00 C ATOM 1147 CD LYS A 78 15.328 8.761 11.550 1.00 0.00 C ATOM 1148 CE LYS A 78 16.258 7.728 10.932 1.00 0.00 C ATOM 1149 NZ LYS A 78 17.644 8.251 10.777 1.00 0.00 N ATOM 0 H LYS A 78 12.768 7.961 11.637 1.00 0.00 H new ATOM 0 HA LYS A 78 11.430 10.571 11.211 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.565 11.460 10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.773 10.680 12.118 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.316 9.031 9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.462 10.301 10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.884 9.376 12.258 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.544 8.255 12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.275 6.835 11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.872 7.429 9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.247 7.517 10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.632 9.088 10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.022 8.513 11.710 1.00 0.00 H new ATOM 1163 N ASN A 79 12.347 8.217 9.133 1.00 0.00 N ATOM 1164 CA ASN A 79 12.175 7.708 7.778 1.00 0.00 C ATOM 1165 C ASN A 79 11.259 6.488 7.767 1.00 0.00 C ATOM 1166 O ASN A 79 11.069 5.850 6.732 1.00 0.00 O ATOM 1167 CB ASN A 79 13.531 7.346 7.170 1.00 0.00 C ATOM 1168 CG ASN A 79 13.869 5.878 7.341 1.00 0.00 C ATOM 1169 OD1 ASN A 79 14.082 5.404 8.457 1.00 0.00 O ATOM 1170 ND2 ASN A 79 13.918 5.149 6.232 1.00 0.00 N ATOM 0 H ASN A 79 12.787 7.560 9.778 1.00 0.00 H new ATOM 0 HA ASN A 79 11.713 8.493 7.179 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.528 7.594 6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.308 7.951 7.636 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.139 4.155 6.285 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.734 5.583 5.328 1.00 0.00 H new ATOM 1177 N ASN A 80 10.693 6.170 8.927 1.00 0.00 N ATOM 1178 CA ASN A 80 9.796 5.026 9.052 1.00 0.00 C ATOM 1179 C ASN A 80 8.342 5.481 9.128 1.00 0.00 C ATOM 1180 O ASN A 80 8.049 6.586 9.584 1.00 0.00 O ATOM 1181 CB ASN A 80 10.152 4.206 10.294 1.00 0.00 C ATOM 1182 CG ASN A 80 11.633 3.892 10.374 1.00 0.00 C ATOM 1183 OD1 ASN A 80 12.280 3.632 9.360 1.00 0.00 O ATOM 1184 ND2 ASN A 80 12.177 3.914 11.585 1.00 0.00 N ATOM 0 H ASN A 80 10.839 6.688 9.793 1.00 0.00 H new ATOM 0 HA ASN A 80 9.917 4.402 8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.851 4.754 11.187 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.586 3.275 10.286 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.170 3.710 11.702 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.602 4.135 12.398 1.00 0.00 H new ATOM 1191 N VAL A 81 7.434 4.620 8.678 1.00 0.00 N ATOM 1192 CA VAL A 81 6.010 4.932 8.697 1.00 0.00 C ATOM 1193 C VAL A 81 5.183 3.702 9.052 1.00 0.00 C ATOM 1194 O VAL A 81 5.145 2.726 8.300 1.00 0.00 O ATOM 1195 CB VAL A 81 5.537 5.479 7.337 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.064 5.851 7.394 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.382 6.675 6.922 1.00 0.00 C ATOM 0 H VAL A 81 7.660 3.701 8.296 1.00 0.00 H new ATOM 0 HA VAL A 81 5.864 5.697 9.459 1.00 0.00 H new ATOM 0 HB VAL A 81 5.660 4.697 6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.748 6.235 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.475 4.968 7.644 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.911 6.616 8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.035 7.049 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.292 7.462 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.426 6.372 6.838 1.00 0.00 H new ATOM 1207 N LEU A 82 4.520 3.753 10.202 1.00 0.00 N ATOM 1208 CA LEU A 82 3.691 2.642 10.658 1.00 0.00 C ATOM 1209 C LEU A 82 2.223 2.885 10.324 1.00 0.00 C ATOM 1210 O LEU A 82 1.735 4.013 10.409 1.00 0.00 O ATOM 1211 CB LEU A 82 3.857 2.443 12.166 1.00 0.00 C ATOM 1212 CG LEU A 82 4.948 1.462 12.597 1.00 0.00 C ATOM 1213 CD1 LEU A 82 5.169 1.537 14.100 1.00 0.00 C ATOM 1214 CD2 LEU A 82 4.586 0.044 12.180 1.00 0.00 C ATOM 0 H LEU A 82 4.540 4.552 10.836 1.00 0.00 H new ATOM 0 HA LEU A 82 4.017 1.740 10.140 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.068 3.412 12.619 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.906 2.100 12.574 1.00 0.00 H new ATOM 0 HG LEU A 82 5.877 1.740 12.099 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.949 0.832 14.389 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.474 2.547 14.373 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.243 1.285 14.617 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.374 -0.640 12.495 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.646 -0.244 12.650 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.479 -0.000 11.096 1.00 0.00 H new ATOM 1226 N ILE A 83 1.524 1.821 9.946 1.00 0.00 N ATOM 1227 CA ILE A 83 0.111 1.918 9.602 1.00 0.00 C ATOM 1228 C ILE A 83 -0.584 0.568 9.745 1.00 0.00 C ATOM 1229 O ILE A 83 0.069 -0.468 9.870 1.00 0.00 O ATOM 1230 CB ILE A 83 -0.085 2.434 8.164 1.00 0.00 C ATOM 1231 CG1 ILE A 83 0.746 1.603 7.184 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.294 3.904 8.073 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.372 1.826 5.735 1.00 0.00 C ATOM 0 H ILE A 83 1.913 0.881 9.870 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.334 2.629 10.298 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.137 2.333 7.897 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.801 1.843 7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.626 0.546 7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.150 4.254 7.051 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.336 4.484 8.747 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.339 4.028 8.355 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.001 1.205 5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.674 1.559 5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.519 2.875 5.479 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.913 0.588 9.724 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.698 -0.635 9.848 1.00 0.00 C ATOM 1247 C VAL A 84 -3.559 -0.863 8.611 1.00 0.00 C ATOM 1248 O VAL A 84 -4.409 -0.039 8.274 1.00 0.00 O ATOM 1249 CB VAL A 84 -3.605 -0.595 11.092 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -4.185 -1.973 11.374 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.835 -0.076 12.297 1.00 0.00 C ATOM 0 H VAL A 84 -2.469 1.437 9.622 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.990 -1.457 9.950 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.431 0.088 10.896 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.823 -1.926 12.256 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.774 -2.302 10.518 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.374 -2.680 11.550 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.492 -0.055 13.167 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.988 -0.732 12.498 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.473 0.931 12.091 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.333 -1.987 7.940 1.00 0.00 N ATOM 1262 CA CYS A 85 -4.089 -2.324 6.739 1.00 0.00 C ATOM 1263 C CYS A 85 -4.115 -3.834 6.519 1.00 0.00 C ATOM 1264 O CYS A 85 -3.145 -4.532 6.815 1.00 0.00 O ATOM 1265 CB CYS A 85 -3.483 -1.630 5.518 1.00 0.00 C ATOM 1266 SG CYS A 85 -1.794 -2.149 5.135 1.00 0.00 S ATOM 0 H CYS A 85 -2.633 -2.680 8.207 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.113 -1.976 6.875 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.116 -1.824 4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.492 -0.553 5.684 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.572 -3.320 5.653 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.233 -4.331 6.000 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.387 -5.758 5.741 1.00 0.00 C ATOM 1274 C VAL A 86 -4.485 -6.209 4.598 1.00 0.00 C ATOM 1275 O VAL A 86 -4.617 -5.765 3.457 1.00 0.00 O ATOM 1276 CB VAL A 86 -6.846 -6.113 5.400 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -6.976 -7.595 5.084 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -7.771 -5.720 6.543 1.00 0.00 C ATOM 0 H VAL A 86 -6.045 -3.767 5.751 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.099 -6.278 6.655 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.141 -5.550 4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.014 -7.826 4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.344 -7.842 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.663 -8.180 5.949 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.798 -5.978 6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.479 -6.254 7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.699 -4.646 6.716 1.00 0.00 H new ATOM 1288 N PRO A 87 -3.545 -7.115 4.907 1.00 0.00 N ATOM 1289 CA PRO A 87 -2.603 -7.648 3.919 1.00 0.00 C ATOM 1290 C PRO A 87 -3.283 -8.557 2.901 1.00 0.00 C ATOM 1291 O PRO A 87 -3.873 -9.575 3.261 1.00 0.00 O ATOM 1292 CB PRO A 87 -1.610 -8.444 4.769 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.374 -8.820 5.991 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.330 -7.688 6.247 1.00 0.00 C ATOM 0 HA PRO A 87 -2.141 -6.857 3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.253 -9.327 4.238 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.734 -7.846 5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.910 -9.757 5.843 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.706 -8.966 6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.262 -8.041 6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.910 -6.955 6.935 1.00 0.00 H new ATOM 1302 N ASN A 88 -3.196 -8.184 1.629 1.00 0.00 N ATOM 1303 CA ASN A 88 -3.803 -8.967 0.559 1.00 0.00 C ATOM 1304 C ASN A 88 -2.776 -9.308 -0.516 1.00 0.00 C ATOM 1305 O ASN A 88 -2.228 -8.433 -1.187 1.00 0.00 O ATOM 1306 CB ASN A 88 -4.972 -8.199 -0.062 1.00 0.00 C ATOM 1307 CG ASN A 88 -6.217 -8.244 0.802 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -7.108 -9.066 0.586 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -6.285 -7.357 1.788 1.00 0.00 N ATOM 0 H ASN A 88 -2.711 -7.344 1.314 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.175 -9.897 0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.679 -7.161 -0.218 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.198 -8.618 -1.043 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.099 -7.339 2.402 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.523 -6.694 1.931 1.00 0.00 H new ATOM 1316 N PRO A 89 -2.508 -10.611 -0.686 1.00 0.00 N ATOM 1317 CA PRO A 89 -3.153 -11.662 0.107 1.00 0.00 C ATOM 1318 C PRO A 89 -2.693 -11.656 1.561 1.00 0.00 C ATOM 1319 O PRO A 89 -1.661 -11.082 1.908 1.00 0.00 O ATOM 1320 CB PRO A 89 -2.712 -12.952 -0.588 1.00 0.00 C ATOM 1321 CG PRO A 89 -1.428 -12.602 -1.258 1.00 0.00 C ATOM 1322 CD PRO A 89 -1.553 -11.159 -1.664 1.00 0.00 C ATOM 0 HA PRO A 89 -4.235 -11.534 0.151 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.576 -13.762 0.129 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.457 -13.287 -1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.584 -12.746 -0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.255 -13.238 -2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.593 -10.645 -1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.922 -11.059 -2.685 1.00 0.00 H new ATOM 1330 N PRO A 90 -3.476 -12.310 2.432 1.00 0.00 N ATOM 1331 CA PRO A 90 -3.168 -12.395 3.863 1.00 0.00 C ATOM 1332 C PRO A 90 -1.954 -13.274 4.143 1.00 0.00 C ATOM 1333 O PRO A 90 -1.772 -14.317 3.514 1.00 0.00 O ATOM 1334 CB PRO A 90 -4.430 -13.021 4.461 1.00 0.00 C ATOM 1335 CG PRO A 90 -5.041 -13.787 3.339 1.00 0.00 C ATOM 1336 CD PRO A 90 -4.721 -13.017 2.088 1.00 0.00 C ATOM 0 HA PRO A 90 -2.918 -11.421 4.284 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.189 -13.673 5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.111 -12.257 4.836 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.635 -14.797 3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.118 -13.883 3.473 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.584 -13.679 1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.519 -12.322 1.829 1.00 0.00 H new ATOM 1344 N ILE A 91 -1.126 -12.847 5.091 1.00 0.00 N ATOM 1345 CA ILE A 91 0.070 -13.597 5.455 1.00 0.00 C ATOM 1346 C ILE A 91 -0.279 -14.796 6.331 1.00 0.00 C ATOM 1347 O ILE A 91 0.271 -15.884 6.159 1.00 0.00 O ATOM 1348 CB ILE A 91 1.086 -12.710 6.199 1.00 0.00 C ATOM 1349 CG1 ILE A 91 1.439 -11.484 5.354 1.00 0.00 C ATOM 1350 CG2 ILE A 91 2.337 -13.507 6.536 1.00 0.00 C ATOM 1351 CD1 ILE A 91 2.000 -10.335 6.163 1.00 0.00 C ATOM 0 H ILE A 91 -1.262 -11.986 5.621 1.00 0.00 H new ATOM 0 HA ILE A 91 0.518 -13.947 4.525 1.00 0.00 H new ATOM 0 HB ILE A 91 0.635 -12.368 7.131 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.166 -11.773 4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.546 -11.146 4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 91 3.046 -12.867 7.061 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.070 -14.351 7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.793 -13.875 5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.228 -9.500 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.266 -10.020 6.905 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.911 -10.656 6.668 1.00 0.00 H new ATOM 1363 N ASP A 92 -1.196 -14.590 7.269 1.00 0.00 N ATOM 1364 CA ASP A 92 -1.621 -15.654 8.170 1.00 0.00 C ATOM 1365 C ASP A 92 -3.043 -16.103 7.849 1.00 0.00 C ATOM 1366 O ASP A 92 -3.842 -15.333 7.318 1.00 0.00 O ATOM 1367 CB ASP A 92 -1.537 -15.185 9.624 1.00 0.00 C ATOM 1368 CG ASP A 92 -2.522 -15.905 10.523 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -2.412 -17.142 10.653 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -3.403 -15.231 11.096 1.00 0.00 O ATOM 0 H ASP A 92 -1.660 -13.695 7.425 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.951 -16.503 8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.525 -15.346 9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.726 -14.112 9.668 1.00 0.00 H new ATOM 1375 N GLU A 93 -3.351 -17.355 8.175 1.00 0.00 N ATOM 1376 CA GLU A 93 -4.676 -17.906 7.919 1.00 0.00 C ATOM 1377 C GLU A 93 -5.525 -17.895 9.187 1.00 0.00 C ATOM 1378 O GLU A 93 -6.745 -17.743 9.131 1.00 0.00 O ATOM 1379 CB GLU A 93 -4.564 -19.334 7.380 1.00 0.00 C ATOM 1380 CG GLU A 93 -4.301 -20.372 8.458 1.00 0.00 C ATOM 1381 CD GLU A 93 -2.841 -20.439 8.860 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -1.994 -20.696 7.977 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -2.543 -20.236 10.055 1.00 0.00 O ATOM 0 H GLU A 93 -2.701 -18.006 8.616 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.163 -17.280 7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.486 -19.590 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.760 -19.374 6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.905 -20.140 9.335 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.621 -21.351 8.100 1.00 0.00 H new ATOM 1390 N LYS A 94 -4.869 -18.057 10.332 1.00 0.00 N ATOM 1391 CA LYS A 94 -5.561 -18.065 11.615 1.00 0.00 C ATOM 1392 C LYS A 94 -6.562 -16.917 11.701 1.00 0.00 C ATOM 1393 O LYS A 94 -7.653 -17.072 12.248 1.00 0.00 O ATOM 1394 CB LYS A 94 -4.552 -17.963 12.762 1.00 0.00 C ATOM 1395 CG LYS A 94 -3.930 -19.294 13.145 1.00 0.00 C ATOM 1396 CD LYS A 94 -4.743 -20.002 14.217 1.00 0.00 C ATOM 1397 CE LYS A 94 -5.803 -20.905 13.607 1.00 0.00 C ATOM 1398 NZ LYS A 94 -6.312 -21.904 14.587 1.00 0.00 N ATOM 0 H LYS A 94 -3.859 -18.184 10.397 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.106 -19.005 11.700 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.760 -17.270 12.478 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.048 -17.539 13.635 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.857 -19.930 12.263 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.914 -19.132 13.505 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.079 -20.593 14.848 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.220 -19.263 14.861 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.632 -20.298 13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.385 -21.423 12.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.033 -22.500 14.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.526 -22.501 14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.734 -21.410 15.399 1.00 0.00 H new ATOM 1412 N ASN A 95 -6.183 -15.765 11.157 1.00 0.00 N ATOM 1413 CA ASN A 95 -7.048 -14.591 11.171 1.00 0.00 C ATOM 1414 C ASN A 95 -6.665 -13.619 10.060 1.00 0.00 C ATOM 1415 O ASN A 95 -5.674 -12.898 10.166 1.00 0.00 O ATOM 1416 CB ASN A 95 -6.968 -13.889 12.529 1.00 0.00 C ATOM 1417 CG ASN A 95 -7.927 -14.480 13.543 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -9.140 -14.286 13.454 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -7.387 -15.206 14.515 1.00 0.00 N ATOM 0 H ASN A 95 -5.282 -15.620 10.701 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.072 -14.923 11.001 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.950 -13.960 12.912 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.187 -12.829 12.400 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.983 -15.629 15.227 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.377 -15.341 14.550 1.00 0.00 H new ATOM 1426 N ALA A 96 -7.459 -13.605 8.994 1.00 0.00 N ATOM 1427 CA ALA A 96 -7.205 -12.720 7.864 1.00 0.00 C ATOM 1428 C ALA A 96 -8.019 -11.435 7.979 1.00 0.00 C ATOM 1429 O ALA A 96 -7.506 -10.340 7.747 1.00 0.00 O ATOM 1430 CB ALA A 96 -7.520 -13.430 6.556 1.00 0.00 C ATOM 0 H ALA A 96 -8.283 -14.197 8.890 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.148 -12.453 7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.326 -12.757 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.892 -14.316 6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.569 -13.727 6.546 1.00 0.00 H new ATOM 1436 N THR A 97 -9.291 -11.576 8.339 1.00 0.00 N ATOM 1437 CA THR A 97 -10.176 -10.427 8.483 1.00 0.00 C ATOM 1438 C THR A 97 -9.515 -9.323 9.300 1.00 0.00 C ATOM 1439 O THR A 97 -9.829 -8.144 9.136 1.00 0.00 O ATOM 1440 CB THR A 97 -11.505 -10.822 9.155 1.00 0.00 C ATOM 1441 OG1 THR A 97 -12.306 -9.657 9.380 1.00 0.00 O ATOM 1442 CG2 THR A 97 -11.252 -11.533 10.476 1.00 0.00 C ATOM 0 H THR A 97 -9.731 -12.475 8.536 1.00 0.00 H new ATOM 0 HA THR A 97 -10.381 -10.058 7.478 1.00 0.00 H new ATOM 0 HB THR A 97 -12.035 -11.503 8.489 1.00 0.00 H new ATOM 0 HG1 THR A 97 -13.149 -9.917 9.806 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.204 -11.802 10.932 1.00 0.00 H new ATOM 0 HG22 THR A 97 -10.667 -12.435 10.297 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.703 -10.871 11.146 1.00 0.00 H new ATOM 1450 N MET A 98 -8.598 -9.712 10.180 1.00 0.00 N ATOM 1451 CA MET A 98 -7.891 -8.754 11.021 1.00 0.00 C ATOM 1452 C MET A 98 -6.626 -8.254 10.331 1.00 0.00 C ATOM 1453 O MET A 98 -5.808 -9.034 9.842 1.00 0.00 O ATOM 1454 CB MET A 98 -7.536 -9.388 12.367 1.00 0.00 C ATOM 1455 CG MET A 98 -7.280 -8.373 13.469 1.00 0.00 C ATOM 1456 SD MET A 98 -7.101 -9.139 15.091 1.00 0.00 S ATOM 1457 CE MET A 98 -6.252 -7.842 15.987 1.00 0.00 C ATOM 0 H MET A 98 -8.327 -10.684 10.329 1.00 0.00 H new ATOM 0 HA MET A 98 -8.550 -7.903 11.192 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.348 -10.048 12.674 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.649 -10.010 12.244 1.00 0.00 H new ATOM 0 HG2 MET A 98 -6.376 -7.810 13.236 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.103 -7.658 13.498 1.00 0.00 H new ATOM 0 HE1 MET A 98 -6.070 -8.167 17.011 1.00 0.00 H new ATOM 0 HE2 MET A 98 -5.301 -7.626 15.500 1.00 0.00 H new ATOM 0 HE3 MET A 98 -6.868 -6.943 15.996 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.459 -6.924 10.289 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.295 -6.291 9.662 1.00 0.00 C ATOM 1469 C PRO A 99 -4.012 -6.526 10.452 1.00 0.00 C ATOM 1470 O PRO A 99 -4.048 -7.001 11.587 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.657 -4.804 9.660 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.620 -4.647 10.786 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.394 -5.935 10.852 1.00 0.00 C ATOM 0 HA PRO A 99 -5.096 -6.696 8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.774 -4.181 9.805 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.105 -4.507 8.712 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.097 -4.458 11.723 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.285 -3.800 10.616 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.674 -6.184 11.876 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.316 -5.880 10.274 1.00 0.00 H new ATOM 1481 N VAL A 100 -2.878 -6.189 9.844 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.583 -6.362 10.492 1.00 0.00 C ATOM 1483 C VAL A 100 -0.746 -5.092 10.392 1.00 0.00 C ATOM 1484 O VAL A 100 -0.942 -4.273 9.493 1.00 0.00 O ATOM 1485 CB VAL A 100 -0.797 -7.532 9.872 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -1.657 -8.786 9.822 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.299 -7.162 8.483 1.00 0.00 C ATOM 0 H VAL A 100 -2.830 -5.795 8.904 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.780 -6.583 11.541 1.00 0.00 H new ATOM 0 HB VAL A 100 0.069 -7.739 10.501 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.085 -9.602 9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.960 -9.060 10.833 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.543 -8.596 9.217 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.254 -8.000 8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.149 -6.928 7.842 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.355 -6.293 8.551 1.00 0.00 H new ATOM 1497 N THR A 101 0.192 -4.933 11.322 1.00 0.00 N ATOM 1498 CA THR A 101 1.060 -3.763 11.339 1.00 0.00 C ATOM 1499 C THR A 101 2.052 -3.796 10.182 1.00 0.00 C ATOM 1500 O THR A 101 2.612 -4.844 9.863 1.00 0.00 O ATOM 1501 CB THR A 101 1.838 -3.661 12.665 1.00 0.00 C ATOM 1502 OG1 THR A 101 0.929 -3.691 13.771 1.00 0.00 O ATOM 1503 CG2 THR A 101 2.660 -2.382 12.713 1.00 0.00 C ATOM 0 H THR A 101 0.369 -5.600 12.073 1.00 0.00 H new ATOM 0 HA THR A 101 0.416 -2.890 11.235 1.00 0.00 H new ATOM 0 HB THR A 101 2.515 -4.513 12.729 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.432 -3.627 14.610 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.200 -2.332 13.658 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.372 -2.376 11.887 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.998 -1.520 12.628 1.00 0.00 H new ATOM 1511 N MET A 102 2.264 -2.642 9.558 1.00 0.00 N ATOM 1512 CA MET A 102 3.191 -2.540 8.436 1.00 0.00 C ATOM 1513 C MET A 102 4.185 -1.405 8.655 1.00 0.00 C ATOM 1514 O MET A 102 3.867 -0.401 9.294 1.00 0.00 O ATOM 1515 CB MET A 102 2.423 -2.318 7.131 1.00 0.00 C ATOM 1516 CG MET A 102 1.442 -3.432 6.806 1.00 0.00 C ATOM 1517 SD MET A 102 1.143 -3.600 5.036 1.00 0.00 S ATOM 1518 CE MET A 102 1.748 -5.260 4.745 1.00 0.00 C ATOM 0 H MET A 102 1.807 -1.765 9.810 1.00 0.00 H new ATOM 0 HA MET A 102 3.745 -3.476 8.368 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.881 -1.375 7.194 1.00 0.00 H new ATOM 0 HB3 MET A 102 3.135 -2.222 6.312 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.826 -4.374 7.197 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.497 -3.238 7.313 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.630 -5.511 3.691 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.802 -5.316 5.016 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.180 -5.966 5.351 1.00 0.00 H new ATOM 1528 N LEU A 103 5.390 -1.568 8.120 1.00 0.00 N ATOM 1529 CA LEU A 103 6.432 -0.557 8.257 1.00 0.00 C ATOM 1530 C LEU A 103 7.002 -0.174 6.894 1.00 0.00 C ATOM 1531 O LEU A 103 7.514 -1.023 6.164 1.00 0.00 O ATOM 1532 CB LEU A 103 7.552 -1.069 9.164 1.00 0.00 C ATOM 1533 CG LEU A 103 8.480 -0.004 9.750 1.00 0.00 C ATOM 1534 CD1 LEU A 103 9.194 0.751 8.640 1.00 0.00 C ATOM 1535 CD2 LEU A 103 7.700 0.956 10.635 1.00 0.00 C ATOM 0 H LEU A 103 5.670 -2.391 7.587 1.00 0.00 H new ATOM 0 HA LEU A 103 5.985 0.330 8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.101 -1.623 9.988 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.156 -1.777 8.597 1.00 0.00 H new ATOM 0 HG LEU A 103 9.231 -0.502 10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.850 1.505 9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.786 0.053 8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.458 1.237 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.377 1.707 11.043 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.926 1.448 10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.237 0.403 11.452 1.00 0.00 H new ATOM 1547 N ILE A 104 6.910 1.109 6.560 1.00 0.00 N ATOM 1548 CA ILE A 104 7.419 1.604 5.287 1.00 0.00 C ATOM 1549 C ILE A 104 8.708 2.395 5.481 1.00 0.00 C ATOM 1550 O ILE A 104 8.708 3.460 6.098 1.00 0.00 O ATOM 1551 CB ILE A 104 6.385 2.496 4.575 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.090 1.717 4.331 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.950 3.020 3.264 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.899 2.602 4.038 1.00 0.00 C ATOM 0 H ILE A 104 6.488 1.824 7.153 1.00 0.00 H new ATOM 0 HA ILE A 104 7.621 0.730 4.667 1.00 0.00 H new ATOM 0 HB ILE A 104 6.159 3.348 5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.239 1.033 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.872 1.107 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.207 3.649 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.847 3.606 3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.201 2.181 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.017 1.983 3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.724 3.268 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.097 3.194 3.144 1.00 0.00 H new ATOM 1566 N ARG A 105 9.805 1.868 4.948 1.00 0.00 N ATOM 1567 CA ARG A 105 11.102 2.526 5.061 1.00 0.00 C ATOM 1568 C ARG A 105 11.541 3.098 3.717 1.00 0.00 C ATOM 1569 O ARG A 105 11.872 2.356 2.793 1.00 0.00 O ATOM 1570 CB ARG A 105 12.153 1.541 5.577 1.00 0.00 C ATOM 1571 CG ARG A 105 12.272 1.514 7.092 1.00 0.00 C ATOM 1572 CD ARG A 105 13.664 1.091 7.534 1.00 0.00 C ATOM 1573 NE ARG A 105 13.738 0.879 8.977 1.00 0.00 N ATOM 1574 CZ ARG A 105 14.843 0.495 9.608 1.00 0.00 C ATOM 1575 NH1 ARG A 105 15.959 0.282 8.925 1.00 0.00 N ATOM 1576 NH2 ARG A 105 14.832 0.324 10.923 1.00 0.00 N ATOM 0 H ARG A 105 9.822 0.987 4.434 1.00 0.00 H new ATOM 0 HA ARG A 105 11.004 3.348 5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.905 0.540 5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 105 13.122 1.800 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 105 12.046 2.502 7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.534 0.826 7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.945 0.173 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 105 14.385 1.855 7.242 1.00 0.00 H new ATOM 0 HE ARG A 105 12.896 1.034 9.531 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.971 0.413 7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 105 16.806 -0.013 9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 105 13.975 0.487 11.451 1.00 0.00 H new ATOM 0 HH22 ARG A 105 15.681 0.029 11.406 1.00 0.00 H new ATOM 1590 N VAL A 106 11.540 4.424 3.615 1.00 0.00 N ATOM 1591 CA VAL A 106 11.939 5.096 2.385 1.00 0.00 C ATOM 1592 C VAL A 106 13.422 5.446 2.405 1.00 0.00 C ATOM 1593 O VAL A 106 14.048 5.485 3.465 1.00 0.00 O ATOM 1594 CB VAL A 106 11.122 6.383 2.158 1.00 0.00 C ATOM 1595 CG1 VAL A 106 11.415 7.400 3.251 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.416 6.965 0.784 1.00 0.00 C ATOM 0 H VAL A 106 11.267 5.053 4.370 1.00 0.00 H new ATOM 0 HA VAL A 106 11.744 4.401 1.568 1.00 0.00 H new ATOM 0 HB VAL A 106 10.062 6.133 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.830 8.302 3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.149 6.979 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 106 12.476 7.648 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.831 7.873 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.477 7.202 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.151 6.238 0.017 1.00 0.00 H new ATOM 1606 N LYS A 107 13.981 5.701 1.227 1.00 0.00 N ATOM 1607 CA LYS A 107 15.391 6.049 1.107 1.00 0.00 C ATOM 1608 C LYS A 107 15.777 7.114 2.129 1.00 0.00 C ATOM 1609 O LYS A 107 16.571 6.861 3.036 1.00 0.00 O ATOM 1610 CB LYS A 107 15.696 6.550 -0.306 1.00 0.00 C ATOM 1611 CG LYS A 107 17.089 7.137 -0.456 1.00 0.00 C ATOM 1612 CD LYS A 107 18.117 6.061 -0.765 1.00 0.00 C ATOM 1613 CE LYS A 107 18.150 5.731 -2.250 1.00 0.00 C ATOM 1614 NZ LYS A 107 19.170 4.694 -2.565 1.00 0.00 N ATOM 0 H LYS A 107 13.478 5.673 0.340 1.00 0.00 H new ATOM 0 HA LYS A 107 15.978 5.152 1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.581 5.724 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.961 7.306 -0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.088 7.880 -1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.367 7.655 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 107 19.103 6.396 -0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.885 5.161 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 107 17.167 5.381 -2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 107 18.365 6.636 -2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 19.161 4.497 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 20.111 5.037 -2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 18.951 3.822 -2.042 1.00 0.00 H new ATOM 1628 N THR A 108 15.209 8.306 1.978 1.00 0.00 N ATOM 1629 CA THR A 108 15.493 9.409 2.888 1.00 0.00 C ATOM 1630 C THR A 108 14.272 9.752 3.734 1.00 0.00 C ATOM 1631 O THR A 108 13.134 9.594 3.292 1.00 0.00 O ATOM 1632 CB THR A 108 15.943 10.667 2.122 1.00 0.00 C ATOM 1633 OG1 THR A 108 14.911 11.088 1.223 1.00 0.00 O ATOM 1634 CG2 THR A 108 17.223 10.399 1.345 1.00 0.00 C ATOM 0 H THR A 108 14.549 8.533 1.234 1.00 0.00 H new ATOM 0 HA THR A 108 16.302 9.081 3.540 1.00 0.00 H new ATOM 0 HB THR A 108 16.137 11.457 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 108 15.259 11.786 0.630 1.00 0.00 H new ATOM 0 HG21 THR A 108 17.521 11.302 0.812 1.00 0.00 H new ATOM 0 HG22 THR A 108 18.014 10.108 2.036 1.00 0.00 H new ATOM 0 HG23 THR A 108 17.052 9.595 0.629 1.00 0.00 H new ATOM 1642 N SER A 109 14.516 10.223 4.953 1.00 0.00 N ATOM 1643 CA SER A 109 13.436 10.586 5.863 1.00 0.00 C ATOM 1644 C SER A 109 12.510 11.616 5.223 1.00 0.00 C ATOM 1645 O SER A 109 11.292 11.444 5.204 1.00 0.00 O ATOM 1646 CB SER A 109 14.006 11.137 7.171 1.00 0.00 C ATOM 1647 OG SER A 109 14.707 12.349 6.951 1.00 0.00 O ATOM 0 H SER A 109 15.452 10.362 5.333 1.00 0.00 H new ATOM 0 HA SER A 109 12.857 9.688 6.078 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.197 11.305 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.675 10.402 7.618 1.00 0.00 H new ATOM 0 HG SER A 109 15.060 12.682 7.802 1.00 0.00 H new ATOM 1653 N GLU A 110 13.099 12.688 4.701 1.00 0.00 N ATOM 1654 CA GLU A 110 12.327 13.747 4.062 1.00 0.00 C ATOM 1655 C GLU A 110 11.274 13.162 3.125 1.00 0.00 C ATOM 1656 O GLU A 110 10.146 13.651 3.060 1.00 0.00 O ATOM 1657 CB GLU A 110 13.253 14.685 3.285 1.00 0.00 C ATOM 1658 CG GLU A 110 14.014 13.998 2.163 1.00 0.00 C ATOM 1659 CD GLU A 110 15.312 14.703 1.821 1.00 0.00 C ATOM 1660 OE1 GLU A 110 16.129 14.920 2.739 1.00 0.00 O ATOM 1661 OE2 GLU A 110 15.509 15.038 0.634 1.00 0.00 O ATOM 0 H GLU A 110 14.107 12.845 4.708 1.00 0.00 H new ATOM 0 HA GLU A 110 11.819 14.314 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 110 12.662 15.500 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.967 15.132 3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.229 12.969 2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 110 13.384 13.955 1.275 1.00 0.00 H new ATOM 1668 N ASP A 111 11.652 12.115 2.400 1.00 0.00 N ATOM 1669 CA ASP A 111 10.741 11.463 1.466 1.00 0.00 C ATOM 1670 C ASP A 111 9.507 10.933 2.190 1.00 0.00 C ATOM 1671 O ASP A 111 8.378 11.151 1.753 1.00 0.00 O ATOM 1672 CB ASP A 111 11.452 10.320 0.741 1.00 0.00 C ATOM 1673 CG ASP A 111 12.534 10.815 -0.199 1.00 0.00 C ATOM 1674 OD1 ASP A 111 12.978 11.970 -0.037 1.00 0.00 O ATOM 1675 OD2 ASP A 111 12.936 10.046 -1.098 1.00 0.00 O ATOM 0 H ASP A 111 12.583 11.700 2.441 1.00 0.00 H new ATOM 0 HA ASP A 111 10.420 12.204 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.893 9.646 1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.721 9.741 0.176 1.00 0.00 H new ATOM 1680 N ALA A 112 9.733 10.236 3.299 1.00 0.00 N ATOM 1681 CA ALA A 112 8.640 9.676 4.084 1.00 0.00 C ATOM 1682 C ALA A 112 7.598 10.740 4.413 1.00 0.00 C ATOM 1683 O ALA A 112 6.405 10.548 4.177 1.00 0.00 O ATOM 1684 CB ALA A 112 9.176 9.048 5.362 1.00 0.00 C ATOM 0 H ALA A 112 10.662 10.046 3.674 1.00 0.00 H new ATOM 0 HA ALA A 112 8.156 8.903 3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.349 8.634 5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 112 9.877 8.252 5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.687 9.807 5.954 1.00 0.00 H new ATOM 1690 N ASP A 113 8.056 11.862 4.958 1.00 0.00 N ATOM 1691 CA ASP A 113 7.164 12.957 5.319 1.00 0.00 C ATOM 1692 C ASP A 113 6.059 13.123 4.279 1.00 0.00 C ATOM 1693 O ASP A 113 4.874 13.056 4.603 1.00 0.00 O ATOM 1694 CB ASP A 113 7.951 14.261 5.457 1.00 0.00 C ATOM 1695 CG ASP A 113 7.189 15.318 6.231 1.00 0.00 C ATOM 1696 OD1 ASP A 113 6.376 14.945 7.101 1.00 0.00 O ATOM 1697 OD2 ASP A 113 7.405 16.520 5.965 1.00 0.00 O ATOM 0 H ASP A 113 9.041 12.037 5.159 1.00 0.00 H new ATOM 0 HA ASP A 113 6.704 12.717 6.277 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.897 14.059 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.191 14.644 4.465 1.00 0.00 H new ATOM 1702 N GLU A 114 6.458 13.340 3.029 1.00 0.00 N ATOM 1703 CA GLU A 114 5.501 13.517 1.943 1.00 0.00 C ATOM 1704 C GLU A 114 4.551 12.326 1.855 1.00 0.00 C ATOM 1705 O GLU A 114 3.337 12.493 1.729 1.00 0.00 O ATOM 1706 CB GLU A 114 6.234 13.698 0.613 1.00 0.00 C ATOM 1707 CG GLU A 114 5.323 14.100 -0.535 1.00 0.00 C ATOM 1708 CD GLU A 114 5.084 15.597 -0.592 1.00 0.00 C ATOM 1709 OE1 GLU A 114 4.555 16.151 0.394 1.00 0.00 O ATOM 1710 OE2 GLU A 114 5.425 16.213 -1.623 1.00 0.00 O ATOM 0 H GLU A 114 7.436 13.397 2.744 1.00 0.00 H new ATOM 0 HA GLU A 114 4.915 14.412 2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.007 14.456 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.738 12.766 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.763 13.770 -1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.367 13.587 -0.432 1.00 0.00 H new ATOM 1717 N LEU A 115 5.112 11.124 1.923 1.00 0.00 N ATOM 1718 CA LEU A 115 4.316 9.903 1.850 1.00 0.00 C ATOM 1719 C LEU A 115 3.247 9.885 2.938 1.00 0.00 C ATOM 1720 O LEU A 115 2.060 9.724 2.654 1.00 0.00 O ATOM 1721 CB LEU A 115 5.217 8.674 1.984 1.00 0.00 C ATOM 1722 CG LEU A 115 4.504 7.340 2.204 1.00 0.00 C ATOM 1723 CD1 LEU A 115 3.653 6.984 0.995 1.00 0.00 C ATOM 1724 CD2 LEU A 115 5.512 6.237 2.492 1.00 0.00 C ATOM 0 H LEU A 115 6.114 10.968 2.029 1.00 0.00 H new ATOM 0 HA LEU A 115 3.821 9.879 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.825 8.594 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.901 8.839 2.816 1.00 0.00 H new ATOM 0 HG LEU A 115 3.848 7.439 3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.153 6.031 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.906 7.762 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.289 6.904 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.986 5.295 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.194 6.138 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.079 6.487 3.389 1.00 0.00 H new ATOM 1736 N HIS A 116 3.676 10.052 4.185 1.00 0.00 N ATOM 1737 CA HIS A 116 2.755 10.058 5.316 1.00 0.00 C ATOM 1738 C HIS A 116 1.623 11.055 5.090 1.00 0.00 C ATOM 1739 O HIS A 116 0.471 10.791 5.436 1.00 0.00 O ATOM 1740 CB HIS A 116 3.501 10.400 6.607 1.00 0.00 C ATOM 1741 CG HIS A 116 2.630 10.381 7.825 1.00 0.00 C ATOM 1742 ND1 HIS A 116 1.730 11.382 8.122 1.00 0.00 N ATOM 1743 CD2 HIS A 116 2.524 9.473 8.823 1.00 0.00 C ATOM 1744 CE1 HIS A 116 1.109 11.092 9.252 1.00 0.00 C ATOM 1745 NE2 HIS A 116 1.573 9.938 9.697 1.00 0.00 N ATOM 0 H HIS A 116 4.655 10.185 4.438 1.00 0.00 H new ATOM 0 HA HIS A 116 2.324 9.061 5.407 1.00 0.00 H new ATOM 0 HB2 HIS A 116 4.318 9.691 6.743 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.950 11.388 6.507 1.00 0.00 H new ATOM 0 HD1 HIS A 116 1.569 12.216 7.558 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.083 8.554 8.915 1.00 0.00 H new ATOM 0 HE1 HIS A 116 0.352 11.695 9.730 1.00 0.00 H new ATOM 1753 N LYS A 117 1.958 12.201 4.508 1.00 0.00 N ATOM 1754 CA LYS A 117 0.970 13.238 4.235 1.00 0.00 C ATOM 1755 C LYS A 117 -0.030 12.773 3.181 1.00 0.00 C ATOM 1756 O LYS A 117 -1.237 12.748 3.425 1.00 0.00 O ATOM 1757 CB LYS A 117 1.662 14.520 3.766 1.00 0.00 C ATOM 1758 CG LYS A 117 0.749 15.734 3.752 1.00 0.00 C ATOM 1759 CD LYS A 117 1.544 17.029 3.734 1.00 0.00 C ATOM 1760 CE LYS A 117 0.687 18.203 3.287 1.00 0.00 C ATOM 1761 NZ LYS A 117 0.651 18.331 1.804 1.00 0.00 N ATOM 0 H LYS A 117 2.907 12.435 4.216 1.00 0.00 H new ATOM 0 HA LYS A 117 0.429 13.441 5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.512 14.723 4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.059 14.363 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.100 15.692 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.103 15.715 4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.943 17.226 4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.397 16.924 3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -0.327 18.077 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.077 19.123 3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.057 19.143 1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.616 18.477 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.255 17.463 1.390 1.00 0.00 H new ATOM 1775 N ILE A 118 0.480 12.404 2.010 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.369 11.937 0.921 1.00 0.00 C ATOM 1777 C ILE A 118 -1.450 10.992 1.433 1.00 0.00 C ATOM 1778 O ILE A 118 -2.618 11.106 1.059 1.00 0.00 O ATOM 1779 CB ILE A 118 0.453 11.219 -0.165 1.00 0.00 C ATOM 1780 CG1 ILE A 118 1.500 12.167 -0.754 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -0.462 10.687 -1.257 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.631 11.454 -1.461 1.00 0.00 C ATOM 0 H ILE A 118 1.476 12.420 1.792 1.00 0.00 H new ATOM 0 HA ILE A 118 -0.838 12.819 0.486 1.00 0.00 H new ATOM 0 HB ILE A 118 0.971 10.375 0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 118 1.012 12.843 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.913 12.782 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 118 0.134 10.182 -2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.172 9.982 -0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.005 11.515 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.335 12.188 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 118 3.144 10.799 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 118 2.230 10.861 -2.283 1.00 0.00 H new ATOM 1794 N LEU A 119 -1.054 10.059 2.292 1.00 0.00 N ATOM 1795 CA LEU A 119 -1.990 9.094 2.859 1.00 0.00 C ATOM 1796 C LEU A 119 -3.142 9.802 3.565 1.00 0.00 C ATOM 1797 O LEU A 119 -4.310 9.468 3.358 1.00 0.00 O ATOM 1798 CB LEU A 119 -1.268 8.169 3.839 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.131 7.328 3.256 1.00 0.00 C ATOM 1800 CD1 LEU A 119 0.802 6.853 4.359 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -0.687 6.145 2.478 1.00 0.00 C ATOM 0 H LEU A 119 -0.091 9.950 2.611 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.399 8.500 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.865 8.775 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.003 7.495 4.279 1.00 0.00 H new ATOM 0 HG LEU A 119 0.441 7.952 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.604 6.256 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.228 7.715 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.244 6.246 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.136 5.558 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.284 5.520 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -1.313 6.508 1.662 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.807 10.782 4.396 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.813 11.540 5.132 1.00 0.00 C ATOM 1815 C LEU A 120 -4.658 12.385 4.184 1.00 0.00 C ATOM 1816 O LEU A 120 -5.858 12.155 4.035 1.00 0.00 O ATOM 1817 CB LEU A 120 -3.144 12.436 6.175 1.00 0.00 C ATOM 1818 CG LEU A 120 -2.275 11.726 7.213 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -1.588 12.737 8.117 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -3.112 10.756 8.034 1.00 0.00 C ATOM 0 H LEU A 120 -1.846 11.071 4.577 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.468 10.831 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.527 13.168 5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.921 12.991 6.700 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.506 11.159 6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.974 12.212 8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.957 13.392 7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.340 13.333 8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.478 10.259 8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.903 11.303 8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.556 10.010 7.375 1.00 0.00 H new ATOM 1832 N GLU A 121 -4.023 13.362 3.545 1.00 0.00 N ATOM 1833 CA GLU A 121 -4.717 14.241 2.611 1.00 0.00 C ATOM 1834 C GLU A 121 -5.682 13.449 1.734 1.00 0.00 C ATOM 1835 O GLU A 121 -6.828 13.852 1.531 1.00 0.00 O ATOM 1836 CB GLU A 121 -3.709 14.987 1.734 1.00 0.00 C ATOM 1837 CG GLU A 121 -2.962 14.087 0.765 1.00 0.00 C ATOM 1838 CD GLU A 121 -1.872 14.821 0.008 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -0.768 14.986 0.567 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -2.125 15.231 -1.145 1.00 0.00 O ATOM 0 H GLU A 121 -3.030 13.565 3.657 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.290 14.965 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.232 15.759 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.988 15.494 2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -2.521 13.255 1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -3.669 13.660 0.053 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.211 12.319 1.216 1.00 0.00 N ATOM 1848 CA LYS A 122 -6.031 11.469 0.362 1.00 0.00 C ATOM 1849 C LYS A 122 -7.071 10.713 1.183 1.00 0.00 C ATOM 1850 O LYS A 122 -8.231 10.604 0.786 1.00 0.00 O ATOM 1851 CB LYS A 122 -5.150 10.477 -0.401 1.00 0.00 C ATOM 1852 CG LYS A 122 -4.157 11.143 -1.339 1.00 0.00 C ATOM 1853 CD LYS A 122 -4.856 11.795 -2.519 1.00 0.00 C ATOM 1854 CE LYS A 122 -5.050 10.813 -3.665 1.00 0.00 C ATOM 1855 NZ LYS A 122 -5.618 11.475 -4.872 1.00 0.00 N ATOM 0 H LYS A 122 -4.265 11.971 1.373 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.551 12.108 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.605 9.862 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.787 9.806 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.586 11.894 -0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.444 10.402 -1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.825 12.181 -2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.271 12.647 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.093 10.356 -3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.713 10.009 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.735 10.773 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.543 11.889 -4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.973 12.226 -5.192 1.00 0.00 H new ATOM 1869 N LYS A 123 -6.648 10.194 2.331 1.00 0.00 N ATOM 1870 CA LYS A 123 -7.543 9.451 3.210 1.00 0.00 C ATOM 1871 C LYS A 123 -8.900 10.139 3.314 1.00 0.00 C ATOM 1872 O LYS A 123 -9.932 9.550 2.994 1.00 0.00 O ATOM 1873 CB LYS A 123 -6.922 9.310 4.602 1.00 0.00 C ATOM 1874 CG LYS A 123 -7.884 8.766 5.645 1.00 0.00 C ATOM 1875 CD LYS A 123 -7.543 9.273 7.036 1.00 0.00 C ATOM 1876 CE LYS A 123 -6.286 8.609 7.578 1.00 0.00 C ATOM 1877 NZ LYS A 123 -6.201 8.712 9.062 1.00 0.00 N ATOM 0 H LYS A 123 -5.691 10.274 2.674 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.691 8.459 2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -6.056 8.651 4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.558 10.284 4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.902 9.059 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.854 7.676 5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -7.401 10.353 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -8.378 9.079 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -6.275 7.559 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -5.408 9.074 7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -5.382 9.298 9.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.070 9.148 9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -6.091 7.762 9.470 1.00 0.00 H new ATOM 1891 N ASP A 124 -8.890 11.390 3.763 1.00 0.00 N ATOM 1892 CA ASP A 124 -10.120 12.160 3.906 1.00 0.00 C ATOM 1893 C ASP A 124 -10.923 12.149 2.609 1.00 0.00 C ATOM 1894 O ASP A 124 -12.111 11.830 2.605 1.00 0.00 O ATOM 1895 CB ASP A 124 -9.801 13.600 4.311 1.00 0.00 C ATOM 1896 CG ASP A 124 -8.645 14.181 3.522 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -7.486 14.011 3.955 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -8.899 14.807 2.471 1.00 0.00 O ATOM 0 H ASP A 124 -8.044 11.892 4.034 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.721 11.695 4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.685 14.220 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.563 13.631 5.374 1.00 0.00 H new ATOM 1903 N ALA A 125 -10.265 12.502 1.509 1.00 0.00 N ATOM 1904 CA ALA A 125 -10.916 12.532 0.206 1.00 0.00 C ATOM 1905 C ALA A 125 -11.519 11.175 -0.138 1.00 0.00 C ATOM 1906 O ALA A 125 -11.009 10.135 0.279 1.00 0.00 O ATOM 1907 CB ALA A 125 -9.927 12.960 -0.869 1.00 0.00 C ATOM 0 H ALA A 125 -9.281 12.771 1.495 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.726 13.260 0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -10.427 12.978 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -9.547 13.955 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.097 12.254 -0.902 1.00 0.00 H new TER 1913 ALA A 125