USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= -2.55! C(o=-2.6!,f=-4.2!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.0242 USER MOD Set 1.3: A 98 SER OG : rot 180:sc= -0.0413 USER MOD Set 2.1: A 73 SER OG : rot -172:sc= -3.26! USER MOD Set 2.2: A 82 HIS : no HD1:sc= -3.73! C(o=-7!,f=-7.4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.343 F(o=-1.2,f=-0.34) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 130:sc= -1.32 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 160:sc= -0.965 USER MOD Single : A 33 TYR OH : rot 35:sc= -1.43 USER MOD Single : A 34 SER OG : rot 23:sc= 0.0248 USER MOD Single : A 36 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 37 SER OG : rot 27:sc= 0.58 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -7.23! C(o=-8.2!,f=-7.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -78:sc= -2.54 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 65:sc= 1.1 USER MOD Single : A 56 SER OG : rot 180:sc= 0.172 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1 K(o=-1,f=-2.6!) USER MOD Single : A 68 SER OG : rot -22:sc= 0.954 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.26 X(o=-1.3,f=-0.9) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.643 F(o=-2.4,f=-0.64) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -1.23 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 67:sc= 1.85 USER MOD Single : A 97 TYR OH : rot -116:sc= -3.64 USER MOD Single : A 100 ASN : amide:sc= -5.37! C(o=-5.4!,f=-9.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -3.63! C(o=-4.7!,f=-3.6!) USER MOD Single : A 109 SER OG : rot -130:sc= -2.39! USER MOD Single : A 114 SER OG : rot -45:sc= -6.26! USER MOD Single : A 119 SER OG : rot -160:sc= -0.64 USER MOD Single : A 123 THR OG1 : rot 180:sc=-0.00494 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 -34.556 1.518 3.528 1.00 0.00 N ATOM 2 CA ARG A 7 -33.699 0.847 4.497 1.00 0.00 C ATOM 3 C ARG A 7 -32.235 0.929 4.079 1.00 0.00 C ATOM 4 O ARG A 7 -31.925 1.213 2.922 1.00 0.00 O ATOM 5 CB ARG A 7 -34.117 -0.616 4.650 1.00 0.00 C ATOM 6 CG ARG A 7 -35.556 -0.790 5.108 1.00 0.00 C ATOM 7 CD ARG A 7 -35.795 -2.178 5.677 1.00 0.00 C ATOM 8 NE ARG A 7 -37.092 -2.717 5.278 1.00 0.00 N ATOM 9 CZ ARG A 7 -37.668 -3.759 5.868 1.00 0.00 C ATOM 10 NH1 ARG A 7 -37.064 -4.368 6.879 1.00 0.00 N ATOM 11 NH2 ARG A 7 -38.849 -4.192 5.448 1.00 0.00 N ATOM 0 HA ARG A 7 -33.812 1.353 5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -33.983 -1.126 3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -33.455 -1.102 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.792 -0.040 5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -36.229 -0.619 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.005 -2.849 5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -35.738 -2.139 6.765 1.00 0.00 H new ATOM 0 HE ARG A 7 -37.583 -2.269 4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -36.156 -4.037 7.205 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -37.507 -5.168 7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -39.317 -3.725 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -39.290 -4.992 5.902 1.00 0.00 H new ATOM 25 N ARG A 8 -31.339 0.682 5.029 1.00 0.00 N ATOM 26 CA ARG A 8 -29.908 0.737 4.763 1.00 0.00 C ATOM 27 C ARG A 8 -29.419 -0.552 4.110 1.00 0.00 C ATOM 28 O ARG A 8 -30.039 -1.607 4.251 1.00 0.00 O ATOM 29 CB ARG A 8 -29.138 0.985 6.062 1.00 0.00 C ATOM 30 CG ARG A 8 -29.818 1.974 6.995 1.00 0.00 C ATOM 31 CD ARG A 8 -28.824 2.600 7.961 1.00 0.00 C ATOM 32 NE ARG A 8 -28.603 1.765 9.137 1.00 0.00 N ATOM 33 CZ ARG A 8 -27.946 2.175 10.218 1.00 0.00 C ATOM 34 NH1 ARG A 8 -27.449 3.403 10.269 1.00 0.00 N ATOM 35 NH2 ARG A 8 -27.787 1.356 11.250 1.00 0.00 N ATOM 0 H ARG A 8 -31.580 0.442 5.991 1.00 0.00 H new ATOM 0 HA ARG A 8 -29.727 1.561 4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -29.008 0.037 6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -28.142 1.354 5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -30.300 2.756 6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -30.603 1.467 7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -27.876 2.764 7.449 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -29.190 3.578 8.274 1.00 0.00 H new ATOM 0 HE ARG A 8 -28.973 0.814 9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -27.570 4.035 9.478 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -26.945 3.715 11.099 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.169 0.411 11.215 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -27.283 1.672 12.079 1.00 0.00 H new ATOM 49 N CYS A 9 -28.296 -0.458 3.405 1.00 0.00 N ATOM 50 CA CYS A 9 -27.708 -1.612 2.737 1.00 0.00 C ATOM 51 C CYS A 9 -27.146 -2.598 3.757 1.00 0.00 C ATOM 52 O CYS A 9 -26.926 -2.245 4.915 1.00 0.00 O ATOM 53 CB CYS A 9 -26.601 -1.157 1.784 1.00 0.00 C ATOM 54 SG CYS A 9 -27.204 -0.564 0.171 1.00 0.00 S ATOM 0 H CYS A 9 -27.774 0.409 3.282 1.00 0.00 H new ATOM 0 HA CYS A 9 -28.489 -2.114 2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -26.030 -0.360 2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.914 -1.987 1.620 1.00 0.00 H new ATOM 59 N PRO A 10 -26.911 -3.854 3.343 1.00 0.00 N ATOM 60 CA PRO A 10 -26.379 -4.890 4.232 1.00 0.00 C ATOM 61 C PRO A 10 -24.920 -4.644 4.595 1.00 0.00 C ATOM 62 O PRO A 10 -24.262 -3.783 4.012 1.00 0.00 O ATOM 63 CB PRO A 10 -26.523 -6.172 3.415 1.00 0.00 C ATOM 64 CG PRO A 10 -26.487 -5.717 2.000 1.00 0.00 C ATOM 65 CD PRO A 10 -27.147 -4.365 1.981 1.00 0.00 C ATOM 0 HA PRO A 10 -26.907 -4.921 5.185 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -25.714 -6.871 3.628 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.457 -6.685 3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -25.461 -5.655 1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -27.014 -6.417 1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -26.708 -3.714 1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -28.211 -4.440 1.758 1.00 0.00 H new ATOM 73 N SER A 11 -24.423 -5.404 5.564 1.00 0.00 N ATOM 74 CA SER A 11 -23.042 -5.268 6.011 1.00 0.00 C ATOM 75 C SER A 11 -22.079 -5.295 4.825 1.00 0.00 C ATOM 76 O SER A 11 -21.835 -6.351 4.241 1.00 0.00 O ATOM 77 CB SER A 11 -22.693 -6.391 6.988 1.00 0.00 C ATOM 78 OG SER A 11 -22.584 -5.900 8.313 1.00 0.00 O ATOM 0 H SER A 11 -24.956 -6.121 6.055 1.00 0.00 H new ATOM 0 HA SER A 11 -22.941 -4.307 6.515 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.459 -7.165 6.946 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.753 -6.856 6.691 1.00 0.00 H new ATOM 0 HG SER A 11 -22.362 -6.638 8.918 1.00 0.00 H new ATOM 84 N PRO A 12 -21.515 -4.133 4.451 1.00 0.00 N ATOM 85 CA PRO A 12 -20.579 -4.040 3.330 1.00 0.00 C ATOM 86 C PRO A 12 -19.513 -5.125 3.367 1.00 0.00 C ATOM 87 O PRO A 12 -19.260 -5.728 4.410 1.00 0.00 O ATOM 88 CB PRO A 12 -19.939 -2.671 3.515 1.00 0.00 C ATOM 89 CG PRO A 12 -20.968 -1.862 4.222 1.00 0.00 C ATOM 90 CD PRO A 12 -21.743 -2.821 5.087 1.00 0.00 C ATOM 0 HA PRO A 12 -21.084 -4.169 2.373 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.021 -2.739 4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.675 -2.225 2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.502 -1.084 4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -21.626 -1.363 3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -21.386 -2.808 6.117 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -22.803 -2.568 5.114 1.00 0.00 H new ATOM 98 N ARG A 13 -18.883 -5.360 2.223 1.00 0.00 N ATOM 99 CA ARG A 13 -17.822 -6.348 2.129 1.00 0.00 C ATOM 100 C ARG A 13 -16.626 -5.910 2.949 1.00 0.00 C ATOM 101 O ARG A 13 -16.539 -4.759 3.371 1.00 0.00 O ATOM 102 CB ARG A 13 -17.416 -6.558 0.670 1.00 0.00 C ATOM 103 CG ARG A 13 -17.635 -7.978 0.179 1.00 0.00 C ATOM 104 CD ARG A 13 -16.568 -8.919 0.707 1.00 0.00 C ATOM 105 NE ARG A 13 -16.405 -10.095 -0.144 1.00 0.00 N ATOM 106 CZ ARG A 13 -15.315 -10.855 -0.149 1.00 0.00 C ATOM 107 NH1 ARG A 13 -14.297 -10.564 0.648 1.00 0.00 N ATOM 108 NH2 ARG A 13 -15.243 -11.908 -0.952 1.00 0.00 N ATOM 0 H ARG A 13 -19.090 -4.878 1.348 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.191 -7.294 2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -17.984 -5.873 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.363 -6.300 0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -18.618 -8.326 0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.628 -7.993 -0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.619 -8.388 0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -16.831 -9.236 1.716 1.00 0.00 H new ATOM 0 HE ARG A 13 -17.171 -10.347 -0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.349 -9.755 1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.461 -11.149 0.642 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.025 -12.135 -1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.406 -12.491 -0.955 1.00 0.00 H new ATOM 122 N ASP A 14 -15.708 -6.832 3.178 1.00 0.00 N ATOM 123 CA ASP A 14 -14.569 -6.560 4.013 1.00 0.00 C ATOM 124 C ASP A 14 -13.256 -6.657 3.245 1.00 0.00 C ATOM 125 O ASP A 14 -13.239 -6.916 2.041 1.00 0.00 O ATOM 126 CB ASP A 14 -14.583 -7.551 5.166 1.00 0.00 C ATOM 127 CG ASP A 14 -14.210 -8.959 4.740 1.00 0.00 C ATOM 128 OD1 ASP A 14 -14.900 -9.514 3.859 1.00 0.00 O ATOM 129 OD2 ASP A 14 -13.230 -9.505 5.288 1.00 0.00 O ATOM 0 H ASP A 14 -15.736 -7.776 2.793 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.637 -5.537 4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.889 -7.214 5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.576 -7.564 5.615 1.00 0.00 H new ATOM 134 N ILE A 15 -12.159 -6.446 3.961 1.00 0.00 N ATOM 135 CA ILE A 15 -10.827 -6.518 3.376 1.00 0.00 C ATOM 136 C ILE A 15 -9.836 -7.097 4.381 1.00 0.00 C ATOM 137 O ILE A 15 -9.975 -6.897 5.587 1.00 0.00 O ATOM 138 CB ILE A 15 -10.336 -5.134 2.911 1.00 0.00 C ATOM 139 CG1 ILE A 15 -8.965 -5.251 2.243 1.00 0.00 C ATOM 140 CG2 ILE A 15 -10.280 -4.168 4.084 1.00 0.00 C ATOM 141 CD1 ILE A 15 -8.755 -4.260 1.120 1.00 0.00 C ATOM 0 H ILE A 15 -12.167 -6.222 4.956 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.889 -7.171 2.505 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.043 -4.743 2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.190 -5.106 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.845 -6.262 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.931 -3.195 3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.275 -4.064 4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.594 -4.552 4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.762 -4.400 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.508 -4.419 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.843 -3.246 1.509 1.00 0.00 H new ATOM 153 N ASP A 16 -8.851 -7.834 3.882 1.00 0.00 N ATOM 154 CA ASP A 16 -7.862 -8.469 4.746 1.00 0.00 C ATOM 155 C ASP A 16 -6.713 -7.521 5.072 1.00 0.00 C ATOM 156 O ASP A 16 -6.468 -7.206 6.236 1.00 0.00 O ATOM 157 CB ASP A 16 -7.317 -9.737 4.086 1.00 0.00 C ATOM 158 CG ASP A 16 -6.501 -10.583 5.044 1.00 0.00 C ATOM 159 OD1 ASP A 16 -6.377 -10.192 6.223 1.00 0.00 O ATOM 160 OD2 ASP A 16 -5.986 -11.637 4.614 1.00 0.00 O ATOM 0 H ASP A 16 -8.715 -8.007 2.886 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.360 -8.732 5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.148 -10.328 3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.698 -9.462 3.232 1.00 0.00 H new ATOM 165 N ASN A 17 -6.001 -7.081 4.041 1.00 0.00 N ATOM 166 CA ASN A 17 -4.865 -6.184 4.226 1.00 0.00 C ATOM 167 C ASN A 17 -5.288 -4.730 4.063 1.00 0.00 C ATOM 168 O ASN A 17 -4.522 -3.902 3.570 1.00 0.00 O ATOM 169 CB ASN A 17 -3.747 -6.519 3.232 1.00 0.00 C ATOM 170 CG ASN A 17 -3.665 -8.002 2.919 1.00 0.00 C ATOM 171 OD1 ASN A 17 -3.970 -8.835 3.908 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 -3.343 -8.394 1.797 1.00 0.00 N flip ATOM 0 H ASN A 17 -6.189 -7.330 3.070 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.489 -6.324 5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.911 -5.965 2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.793 -6.185 3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.117 -7.719 1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.303 -9.394 1.598 1.00 0.00 H new ATOM 179 N GLY A 18 -6.510 -4.426 4.484 1.00 0.00 N ATOM 180 CA GLY A 18 -7.010 -3.069 4.381 1.00 0.00 C ATOM 181 C GLY A 18 -7.998 -2.723 5.478 1.00 0.00 C ATOM 182 O GLY A 18 -8.290 -3.546 6.345 1.00 0.00 O ATOM 0 H GLY A 18 -7.162 -5.094 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.172 -2.374 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.489 -2.936 3.411 1.00 0.00 H new ATOM 186 N GLN A 19 -8.513 -1.497 5.438 1.00 0.00 N ATOM 187 CA GLN A 19 -9.475 -1.033 6.433 1.00 0.00 C ATOM 188 C GLN A 19 -10.585 -0.223 5.771 1.00 0.00 C ATOM 189 O GLN A 19 -10.318 0.718 5.024 1.00 0.00 O ATOM 190 CB GLN A 19 -8.775 -0.181 7.497 1.00 0.00 C ATOM 191 CG GLN A 19 -7.339 -0.599 7.772 1.00 0.00 C ATOM 192 CD GLN A 19 -6.898 -0.277 9.186 1.00 0.00 C ATOM 193 OE1 GLN A 19 -6.529 0.858 9.491 1.00 0.00 O ATOM 194 NE2 GLN A 19 -6.933 -1.277 10.059 1.00 0.00 N ATOM 0 H GLN A 19 -8.279 -0.806 4.725 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.916 -1.907 6.912 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.785 0.861 7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.344 -0.237 8.425 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.237 -1.670 7.599 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.677 -0.097 7.066 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.246 -2.202 9.763 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.647 -1.120 11.026 1.00 0.00 H new ATOM 203 N LEU A 20 -11.831 -0.592 6.050 1.00 0.00 N ATOM 204 CA LEU A 20 -12.976 0.093 5.468 1.00 0.00 C ATOM 205 C LEU A 20 -13.234 1.432 6.147 1.00 0.00 C ATOM 206 O LEU A 20 -12.911 1.623 7.319 1.00 0.00 O ATOM 207 CB LEU A 20 -14.219 -0.780 5.586 1.00 0.00 C ATOM 208 CG LEU A 20 -14.407 -1.789 4.456 1.00 0.00 C ATOM 209 CD1 LEU A 20 -15.600 -2.677 4.748 1.00 0.00 C ATOM 210 CD2 LEU A 20 -13.152 -2.626 4.267 1.00 0.00 C ATOM 0 H LEU A 20 -12.072 -1.361 6.675 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.750 0.280 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.177 -1.320 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.096 -0.134 5.626 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.592 -1.244 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.727 -3.394 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.435 -3.212 5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.497 -2.064 4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.308 -3.338 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.314 -1.974 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.933 -3.166 5.188 1.00 0.00 H new ATOM 222 N ASP A 21 -13.848 2.345 5.403 1.00 0.00 N ATOM 223 CA ASP A 21 -14.204 3.657 5.929 1.00 0.00 C ATOM 224 C ASP A 21 -15.683 3.929 5.677 1.00 0.00 C ATOM 225 O ASP A 21 -16.043 4.642 4.740 1.00 0.00 O ATOM 226 CB ASP A 21 -13.348 4.745 5.279 1.00 0.00 C ATOM 227 CG ASP A 21 -12.975 5.846 6.251 1.00 0.00 C ATOM 228 OD1 ASP A 21 -12.276 5.551 7.243 1.00 0.00 O ATOM 229 OD2 ASP A 21 -13.382 7.005 6.021 1.00 0.00 O ATOM 0 H ASP A 21 -14.111 2.199 4.428 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.017 3.669 7.003 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.440 4.297 4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.891 5.176 4.437 1.00 0.00 H new ATOM 234 N ILE A 22 -16.533 3.340 6.511 1.00 0.00 N ATOM 235 CA ILE A 22 -17.977 3.463 6.351 1.00 0.00 C ATOM 236 C ILE A 22 -18.461 4.876 6.642 1.00 0.00 C ATOM 237 O ILE A 22 -18.631 5.264 7.798 1.00 0.00 O ATOM 238 CB ILE A 22 -18.721 2.484 7.263 1.00 0.00 C ATOM 239 CG1 ILE A 22 -18.187 1.066 7.033 1.00 0.00 C ATOM 240 CG2 ILE A 22 -20.229 2.568 7.030 1.00 0.00 C ATOM 241 CD1 ILE A 22 -18.858 0.303 5.910 1.00 0.00 C ATOM 0 H ILE A 22 -16.246 2.771 7.307 1.00 0.00 H new ATOM 0 HA ILE A 22 -18.193 3.225 5.310 1.00 0.00 H new ATOM 0 HB ILE A 22 -18.544 2.752 8.305 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.119 1.126 6.824 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -18.300 0.497 7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -20.739 1.864 7.688 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -20.574 3.580 7.243 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -20.451 2.320 5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.412 -0.688 5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.923 0.204 6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.724 0.842 4.972 1.00 0.00 H new ATOM 253 N GLY A 23 -18.695 5.632 5.579 1.00 0.00 N ATOM 254 CA GLY A 23 -19.202 6.982 5.724 1.00 0.00 C ATOM 255 C GLY A 23 -20.679 7.063 5.394 1.00 0.00 C ATOM 256 O GLY A 23 -21.190 8.127 5.041 1.00 0.00 O ATOM 0 H GLY A 23 -18.542 5.334 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -19.038 7.325 6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.645 7.652 5.069 1.00 0.00 H new ATOM 260 N GLY A 24 -21.361 5.926 5.498 1.00 0.00 N ATOM 261 CA GLY A 24 -22.776 5.868 5.188 1.00 0.00 C ATOM 262 C GLY A 24 -23.165 4.532 4.590 1.00 0.00 C ATOM 263 O GLY A 24 -22.476 4.016 3.712 1.00 0.00 O ATOM 0 H GLY A 24 -20.954 5.039 5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -23.355 6.043 6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -23.029 6.666 4.490 1.00 0.00 H new ATOM 267 N VAL A 25 -24.254 3.957 5.086 1.00 0.00 N ATOM 268 CA VAL A 25 -24.718 2.659 4.610 1.00 0.00 C ATOM 269 C VAL A 25 -26.136 2.742 4.054 1.00 0.00 C ATOM 270 O VAL A 25 -26.842 1.736 3.980 1.00 0.00 O ATOM 271 CB VAL A 25 -24.681 1.604 5.732 1.00 0.00 C ATOM 272 CG1 VAL A 25 -23.249 1.181 6.024 1.00 0.00 C ATOM 273 CG2 VAL A 25 -25.354 2.137 6.987 1.00 0.00 C ATOM 0 H VAL A 25 -24.833 4.369 5.818 1.00 0.00 H new ATOM 0 HA VAL A 25 -24.039 2.359 3.812 1.00 0.00 H new ATOM 0 HB VAL A 25 -25.232 0.725 5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -23.245 0.436 6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -22.805 0.755 5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -22.670 2.049 6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -25.319 1.378 7.769 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -24.834 3.033 7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -26.393 2.382 6.766 1.00 0.00 H new ATOM 283 N ASP A 26 -26.545 3.941 3.657 1.00 0.00 N ATOM 284 CA ASP A 26 -27.872 4.145 3.091 1.00 0.00 C ATOM 285 C ASP A 26 -27.784 4.360 1.586 1.00 0.00 C ATOM 286 O ASP A 26 -26.793 4.892 1.085 1.00 0.00 O ATOM 287 CB ASP A 26 -28.557 5.346 3.749 1.00 0.00 C ATOM 288 CG ASP A 26 -27.593 6.482 4.031 1.00 0.00 C ATOM 289 OD1 ASP A 26 -27.727 7.547 3.391 1.00 0.00 O ATOM 290 OD2 ASP A 26 -26.704 6.307 4.891 1.00 0.00 O ATOM 0 H ASP A 26 -25.977 4.786 3.717 1.00 0.00 H new ATOM 0 HA ASP A 26 -28.465 3.251 3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -29.356 5.705 3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -29.022 5.028 4.682 1.00 0.00 H new ATOM 295 N PHE A 27 -28.825 3.949 0.866 1.00 0.00 N ATOM 296 CA PHE A 27 -28.853 4.102 -0.586 1.00 0.00 C ATOM 297 C PHE A 27 -28.462 5.519 -0.990 1.00 0.00 C ATOM 298 O PHE A 27 -29.169 6.480 -0.688 1.00 0.00 O ATOM 299 CB PHE A 27 -30.239 3.767 -1.136 1.00 0.00 C ATOM 300 CG PHE A 27 -30.219 3.347 -2.578 1.00 0.00 C ATOM 301 CD1 PHE A 27 -29.942 4.266 -3.577 1.00 0.00 C ATOM 302 CD2 PHE A 27 -30.464 2.031 -2.933 1.00 0.00 C ATOM 303 CE1 PHE A 27 -29.919 3.882 -4.904 1.00 0.00 C ATOM 304 CE2 PHE A 27 -30.441 1.641 -4.258 1.00 0.00 C ATOM 305 CZ PHE A 27 -30.168 2.567 -5.245 1.00 0.00 C ATOM 0 H PHE A 27 -29.656 3.510 1.262 1.00 0.00 H new ATOM 0 HA PHE A 27 -28.128 3.407 -1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -30.676 2.968 -0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -30.886 4.637 -1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -29.742 5.295 -3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -30.675 1.301 -2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -29.707 4.609 -5.674 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -30.636 0.612 -4.522 1.00 0.00 H new ATOM 0 HZ PHE A 27 -30.149 2.264 -6.281 1.00 0.00 H new ATOM 315 N GLY A 28 -27.322 5.640 -1.658 1.00 0.00 N ATOM 316 CA GLY A 28 -26.837 6.942 -2.070 1.00 0.00 C ATOM 317 C GLY A 28 -25.570 7.351 -1.340 1.00 0.00 C ATOM 318 O GLY A 28 -25.103 8.481 -1.487 1.00 0.00 O ATOM 0 H GLY A 28 -26.724 4.857 -1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -26.646 6.932 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -27.612 7.688 -1.891 1.00 0.00 H new ATOM 322 N SER A 29 -25.009 6.435 -0.550 1.00 0.00 N ATOM 323 CA SER A 29 -23.789 6.716 0.192 1.00 0.00 C ATOM 324 C SER A 29 -22.589 6.066 -0.485 1.00 0.00 C ATOM 325 O SER A 29 -22.658 5.685 -1.654 1.00 0.00 O ATOM 326 CB SER A 29 -23.918 6.213 1.631 1.00 0.00 C ATOM 327 OG SER A 29 -23.804 7.282 2.555 1.00 0.00 O ATOM 0 H SER A 29 -25.382 5.496 -0.410 1.00 0.00 H new ATOM 0 HA SER A 29 -23.636 7.795 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 29 -24.879 5.716 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 29 -23.145 5.471 1.831 1.00 0.00 H new ATOM 0 HG SER A 29 -24.551 7.248 3.189 1.00 0.00 H new ATOM 333 N SER A 30 -21.489 5.946 0.248 1.00 0.00 N ATOM 334 CA SER A 30 -20.280 5.344 -0.297 1.00 0.00 C ATOM 335 C SER A 30 -19.258 5.074 0.800 1.00 0.00 C ATOM 336 O SER A 30 -19.128 5.848 1.748 1.00 0.00 O ATOM 337 CB SER A 30 -19.668 6.257 -1.363 1.00 0.00 C ATOM 338 OG SER A 30 -19.858 7.622 -1.035 1.00 0.00 O ATOM 0 H SER A 30 -21.410 6.256 1.216 1.00 0.00 H new ATOM 0 HA SER A 30 -20.555 4.392 -0.752 1.00 0.00 H new ATOM 0 HB2 SER A 30 -18.603 6.047 -1.458 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.122 6.046 -2.331 1.00 0.00 H new ATOM 0 HG SER A 30 -19.457 8.184 -1.730 1.00 0.00 H new ATOM 344 N ILE A 31 -18.532 3.970 0.660 1.00 0.00 N ATOM 345 CA ILE A 31 -17.508 3.599 1.633 1.00 0.00 C ATOM 346 C ILE A 31 -16.120 3.927 1.091 1.00 0.00 C ATOM 347 O ILE A 31 -15.970 4.266 -0.082 1.00 0.00 O ATOM 348 CB ILE A 31 -17.558 2.096 2.006 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.903 1.464 1.639 1.00 0.00 C ATOM 350 CG2 ILE A 31 -17.303 1.916 3.490 1.00 0.00 C ATOM 351 CD1 ILE A 31 -19.025 0.025 2.086 1.00 0.00 C ATOM 0 H ILE A 31 -18.633 3.316 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.712 4.177 2.534 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.779 1.592 1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.706 2.047 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.039 1.515 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.341 0.856 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.319 2.313 3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.065 2.450 4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -20.001 -0.365 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.242 -0.570 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.920 -0.030 3.170 1.00 0.00 H new ATOM 363 N THR A 32 -15.108 3.827 1.947 1.00 0.00 N ATOM 364 CA THR A 32 -13.738 4.114 1.538 1.00 0.00 C ATOM 365 C THR A 32 -12.793 2.997 1.962 1.00 0.00 C ATOM 366 O THR A 32 -12.571 2.772 3.151 1.00 0.00 O ATOM 367 CB THR A 32 -13.269 5.447 2.126 1.00 0.00 C ATOM 368 OG1 THR A 32 -14.373 6.213 2.576 1.00 0.00 O ATOM 369 CG2 THR A 32 -12.489 6.294 1.145 1.00 0.00 C ATOM 0 H THR A 32 -15.210 3.551 2.924 1.00 0.00 H new ATOM 0 HA THR A 32 -13.723 4.182 0.450 1.00 0.00 H new ATOM 0 HB THR A 32 -12.610 5.182 2.953 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.064 6.885 3.219 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.187 7.224 1.627 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.602 5.750 0.819 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.114 6.519 0.281 1.00 0.00 H new ATOM 377 N TYR A 33 -12.231 2.309 0.975 1.00 0.00 N ATOM 378 CA TYR A 33 -11.319 1.204 1.232 1.00 0.00 C ATOM 379 C TYR A 33 -9.868 1.671 1.256 1.00 0.00 C ATOM 380 O TYR A 33 -9.440 2.458 0.412 1.00 0.00 O ATOM 381 CB TYR A 33 -11.500 0.126 0.166 1.00 0.00 C ATOM 382 CG TYR A 33 -12.581 -0.866 0.507 1.00 0.00 C ATOM 383 CD1 TYR A 33 -12.261 -2.111 1.027 1.00 0.00 C ATOM 384 CD2 TYR A 33 -13.923 -0.548 0.336 1.00 0.00 C ATOM 385 CE1 TYR A 33 -13.246 -3.023 1.353 1.00 0.00 C ATOM 386 CE2 TYR A 33 -14.914 -1.454 0.660 1.00 0.00 C ATOM 387 CZ TYR A 33 -14.571 -2.690 1.167 1.00 0.00 C ATOM 388 OH TYR A 33 -15.555 -3.595 1.489 1.00 0.00 O ATOM 0 H TYR A 33 -12.393 2.499 -0.014 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.555 0.793 2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.738 0.601 -0.786 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.558 -0.405 0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -11.224 -2.372 1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.195 0.421 -0.056 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.980 -3.991 1.751 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -15.953 -1.196 0.517 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.283 -4.107 2.279 1.00 0.00 H new ATOM 398 N SER A 34 -9.114 1.165 2.226 1.00 0.00 N ATOM 399 CA SER A 34 -7.704 1.512 2.365 1.00 0.00 C ATOM 400 C SER A 34 -6.903 0.305 2.840 1.00 0.00 C ATOM 401 O SER A 34 -7.475 -0.687 3.284 1.00 0.00 O ATOM 402 CB SER A 34 -7.539 2.671 3.350 1.00 0.00 C ATOM 403 OG SER A 34 -7.728 3.919 2.707 1.00 0.00 O ATOM 0 H SER A 34 -9.457 0.511 2.930 1.00 0.00 H new ATOM 0 HA SER A 34 -7.326 1.820 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.257 2.566 4.164 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.545 2.635 3.795 1.00 0.00 H new ATOM 0 HG SER A 34 -8.263 3.791 1.896 1.00 0.00 H new ATOM 409 N CYS A 35 -5.579 0.390 2.741 1.00 0.00 N ATOM 410 CA CYS A 35 -4.714 -0.704 3.168 1.00 0.00 C ATOM 411 C CYS A 35 -4.472 -0.650 4.673 1.00 0.00 C ATOM 412 O CYS A 35 -4.827 0.327 5.334 1.00 0.00 O ATOM 413 CB CYS A 35 -3.379 -0.644 2.426 1.00 0.00 C ATOM 414 SG CYS A 35 -3.373 -1.510 0.823 1.00 0.00 S ATOM 0 H CYS A 35 -5.084 1.201 2.371 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.214 -1.643 2.931 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.114 0.401 2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.604 -1.074 3.061 1.00 0.00 H new ATOM 419 N ASN A 36 -3.863 -1.702 5.210 1.00 0.00 N ATOM 420 CA ASN A 36 -3.573 -1.771 6.639 1.00 0.00 C ATOM 421 C ASN A 36 -2.475 -0.781 7.019 1.00 0.00 C ATOM 422 O ASN A 36 -2.756 0.329 7.472 1.00 0.00 O ATOM 423 CB ASN A 36 -3.154 -3.190 7.029 1.00 0.00 C ATOM 424 CG ASN A 36 -4.214 -3.904 7.844 1.00 0.00 C ATOM 425 OD1 ASN A 36 -5.412 -4.021 7.283 1.00 0.00 O flip ATOM 426 ND2 ASN A 36 -3.959 -4.348 8.963 1.00 0.00 N flip ATOM 0 H ASN A 36 -3.561 -2.518 4.678 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.481 -1.506 7.182 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.945 -3.765 6.127 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.227 -3.148 7.601 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.024 -4.236 9.355 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.682 -4.829 9.498 1.00 0.00 H new ATOM 433 N SER A 37 -1.224 -1.192 6.835 1.00 0.00 N ATOM 434 CA SER A 37 -0.084 -0.342 7.157 1.00 0.00 C ATOM 435 C SER A 37 1.144 -0.760 6.357 1.00 0.00 C ATOM 436 O SER A 37 1.477 -1.943 6.285 1.00 0.00 O ATOM 437 CB SER A 37 0.221 -0.407 8.655 1.00 0.00 C ATOM 438 OG SER A 37 -0.595 0.495 9.382 1.00 0.00 O ATOM 0 H SER A 37 -0.975 -2.109 6.464 1.00 0.00 H new ATOM 0 HA SER A 37 -0.339 0.684 6.891 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.059 -1.422 9.018 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.271 -0.171 8.826 1.00 0.00 H new ATOM 0 HG SER A 37 -1.432 0.644 8.895 1.00 0.00 H new ATOM 444 N GLY A 38 1.812 0.218 5.756 1.00 0.00 N ATOM 445 CA GLY A 38 2.985 -0.074 4.955 1.00 0.00 C ATOM 446 C GLY A 38 2.638 -0.845 3.697 1.00 0.00 C ATOM 447 O GLY A 38 3.485 -1.533 3.127 1.00 0.00 O ATOM 0 H GLY A 38 1.563 1.206 5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.479 0.859 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.695 -0.650 5.549 1.00 0.00 H new ATOM 451 N TYR A 39 1.384 -0.733 3.269 1.00 0.00 N ATOM 452 CA TYR A 39 0.913 -1.425 2.076 1.00 0.00 C ATOM 453 C TYR A 39 0.535 -0.431 0.984 1.00 0.00 C ATOM 454 O TYR A 39 0.720 0.776 1.139 1.00 0.00 O ATOM 455 CB TYR A 39 -0.302 -2.289 2.418 1.00 0.00 C ATOM 456 CG TYR A 39 0.045 -3.697 2.843 1.00 0.00 C ATOM 457 CD1 TYR A 39 1.167 -3.954 3.621 1.00 0.00 C ATOM 458 CD2 TYR A 39 -0.757 -4.769 2.472 1.00 0.00 C ATOM 459 CE1 TYR A 39 1.483 -5.241 4.013 1.00 0.00 C ATOM 460 CE2 TYR A 39 -0.448 -6.058 2.860 1.00 0.00 C ATOM 461 CZ TYR A 39 0.672 -6.289 3.630 1.00 0.00 C ATOM 462 OH TYR A 39 0.984 -7.572 4.017 1.00 0.00 O ATOM 0 H TYR A 39 0.674 -0.167 3.734 1.00 0.00 H new ATOM 0 HA TYR A 39 1.722 -2.057 1.710 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.864 -1.807 3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.959 -2.334 1.549 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.802 -3.135 3.924 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.636 -4.592 1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.360 -5.425 4.616 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.081 -6.881 2.562 1.00 0.00 H new ATOM 0 HH TYR A 39 0.312 -8.192 3.665 1.00 0.00 H new ATOM 472 N HIS A 40 -0.010 -0.945 -0.113 1.00 0.00 N ATOM 473 CA HIS A 40 -0.451 -0.099 -1.214 1.00 0.00 C ATOM 474 C HIS A 40 -1.696 -0.686 -1.871 1.00 0.00 C ATOM 475 O HIS A 40 -1.651 -1.761 -2.467 1.00 0.00 O ATOM 476 CB HIS A 40 0.672 0.091 -2.242 1.00 0.00 C ATOM 477 CG HIS A 40 0.890 -1.083 -3.148 1.00 0.00 C ATOM 478 ND1 HIS A 40 0.993 -2.406 -2.880 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 1.055 -0.958 -4.513 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 1.206 -3.048 -4.074 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 1.243 -2.154 -5.044 1.00 0.00 N flip ATOM 0 H HIS A 40 -0.157 -1.943 -0.263 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.705 0.882 -0.812 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.446 0.967 -2.851 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.601 0.302 -1.712 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.925 -2.844 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.034 -0.028 -5.062 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.324 -4.114 -4.200 1.00 0.00 H new ATOM 490 N LEU A 41 -2.815 0.013 -1.718 1.00 0.00 N ATOM 491 CA LEU A 41 -4.085 -0.432 -2.272 1.00 0.00 C ATOM 492 C LEU A 41 -4.146 -0.160 -3.769 1.00 0.00 C ATOM 493 O LEU A 41 -3.960 0.974 -4.211 1.00 0.00 O ATOM 494 CB LEU A 41 -5.242 0.276 -1.562 1.00 0.00 C ATOM 495 CG LEU A 41 -6.637 -0.049 -2.100 1.00 0.00 C ATOM 496 CD1 LEU A 41 -7.688 0.166 -1.021 1.00 0.00 C ATOM 497 CD2 LEU A 41 -6.945 0.795 -3.326 1.00 0.00 C ATOM 0 H LEU A 41 -2.866 0.896 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.172 -1.507 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.210 0.017 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.085 1.352 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.658 -1.099 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.674 -0.070 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.476 -0.484 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.668 1.206 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.941 0.551 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.906 1.851 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.209 0.589 -4.104 1.00 0.00 H new ATOM 509 N ILE A 42 -4.395 -1.206 -4.546 1.00 0.00 N ATOM 510 CA ILE A 42 -4.470 -1.071 -5.995 1.00 0.00 C ATOM 511 C ILE A 42 -5.917 -1.010 -6.461 1.00 0.00 C ATOM 512 O ILE A 42 -6.815 -1.546 -5.812 1.00 0.00 O ATOM 513 CB ILE A 42 -3.751 -2.222 -6.730 1.00 0.00 C ATOM 514 CG1 ILE A 42 -2.572 -2.739 -5.904 1.00 0.00 C ATOM 515 CG2 ILE A 42 -3.271 -1.748 -8.091 1.00 0.00 C ATOM 516 CD1 ILE A 42 -1.591 -1.653 -5.527 1.00 0.00 C ATOM 0 H ILE A 42 -4.548 -2.153 -4.199 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.963 -0.138 -6.243 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.457 -3.041 -6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.950 -3.210 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.051 -3.511 -6.470 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.765 -2.566 -8.603 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.125 -1.421 -8.684 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.579 -0.916 -7.963 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.778 -2.084 -4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.186 -1.198 -6.431 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.100 -0.892 -4.935 1.00 0.00 H new ATOM 528 N GLY A 43 -6.135 -0.345 -7.587 1.00 0.00 N ATOM 529 CA GLY A 43 -7.478 -0.209 -8.119 1.00 0.00 C ATOM 530 C GLY A 43 -8.241 0.926 -7.465 1.00 0.00 C ATOM 531 O GLY A 43 -7.689 2.004 -7.242 1.00 0.00 O ATOM 0 H GLY A 43 -5.406 0.103 -8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.425 -0.037 -9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.022 -1.142 -7.972 1.00 0.00 H new ATOM 535 N GLU A 44 -9.508 0.684 -7.147 1.00 0.00 N ATOM 536 CA GLU A 44 -10.335 1.694 -6.504 1.00 0.00 C ATOM 537 C GLU A 44 -10.169 1.648 -4.993 1.00 0.00 C ATOM 538 O GLU A 44 -9.383 0.862 -4.465 1.00 0.00 O ATOM 539 CB GLU A 44 -11.804 1.485 -6.857 1.00 0.00 C ATOM 540 CG GLU A 44 -12.299 0.081 -6.561 1.00 0.00 C ATOM 541 CD GLU A 44 -13.009 -0.549 -7.742 1.00 0.00 C ATOM 542 OE1 GLU A 44 -13.178 -1.787 -7.742 1.00 0.00 O ATOM 543 OE2 GLU A 44 -13.397 0.195 -8.667 1.00 0.00 O ATOM 0 H GLU A 44 -9.982 -0.201 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.011 2.670 -6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.409 2.201 -6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.950 1.698 -7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.454 -0.545 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.977 0.111 -5.708 1.00 0.00 H new ATOM 550 N SER A 45 -10.944 2.471 -4.302 1.00 0.00 N ATOM 551 CA SER A 45 -10.887 2.547 -2.859 1.00 0.00 C ATOM 552 C SER A 45 -12.192 3.067 -2.284 1.00 0.00 C ATOM 553 O SER A 45 -12.219 3.611 -1.181 1.00 0.00 O ATOM 554 CB SER A 45 -9.758 3.475 -2.446 1.00 0.00 C ATOM 555 OG SER A 45 -9.699 4.615 -3.285 1.00 0.00 O ATOM 0 H SER A 45 -11.625 3.100 -4.728 1.00 0.00 H new ATOM 0 HA SER A 45 -10.713 1.543 -2.472 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.901 3.788 -1.412 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.810 2.939 -2.488 1.00 0.00 H new ATOM 0 HG SER A 45 -8.965 5.196 -2.996 1.00 0.00 H new ATOM 561 N LYS A 46 -13.276 2.900 -3.025 1.00 0.00 N ATOM 562 CA LYS A 46 -14.567 3.391 -2.574 1.00 0.00 C ATOM 563 C LYS A 46 -15.721 2.536 -3.088 1.00 0.00 C ATOM 564 O LYS A 46 -15.830 2.268 -4.284 1.00 0.00 O ATOM 565 CB LYS A 46 -14.748 4.834 -3.025 1.00 0.00 C ATOM 566 CG LYS A 46 -14.585 5.840 -1.905 1.00 0.00 C ATOM 567 CD LYS A 46 -13.526 6.880 -2.233 1.00 0.00 C ATOM 568 CE LYS A 46 -14.093 8.002 -3.087 1.00 0.00 C ATOM 569 NZ LYS A 46 -13.128 8.447 -4.131 1.00 0.00 N ATOM 0 H LYS A 46 -13.288 2.433 -3.932 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.582 3.334 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.024 5.055 -3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.739 4.948 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.538 6.336 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.313 5.321 -0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.122 7.293 -1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.698 6.404 -2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.014 7.666 -3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.354 8.847 -2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.552 9.213 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.259 8.792 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.898 7.647 -4.755 1.00 0.00 H new ATOM 583 N SER A 47 -16.597 2.143 -2.168 1.00 0.00 N ATOM 584 CA SER A 47 -17.772 1.345 -2.499 1.00 0.00 C ATOM 585 C SER A 47 -19.009 2.225 -2.556 1.00 0.00 C ATOM 586 O SER A 47 -19.069 3.258 -1.889 1.00 0.00 O ATOM 587 CB SER A 47 -17.968 0.249 -1.453 1.00 0.00 C ATOM 588 OG SER A 47 -17.087 0.431 -0.360 1.00 0.00 O ATOM 0 H SER A 47 -16.513 2.368 -1.177 1.00 0.00 H new ATOM 0 HA SER A 47 -17.619 0.888 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 47 -18.999 0.258 -1.100 1.00 0.00 H new ATOM 0 HB3 SER A 47 -17.795 -0.727 -1.906 1.00 0.00 H new ATOM 0 HG SER A 47 -16.191 0.120 -0.607 1.00 0.00 H new ATOM 594 N TYR A 48 -20.003 1.825 -3.346 1.00 0.00 N ATOM 595 CA TYR A 48 -21.224 2.636 -3.447 1.00 0.00 C ATOM 596 C TYR A 48 -22.472 1.820 -3.156 1.00 0.00 C ATOM 597 O TYR A 48 -22.767 0.833 -3.828 1.00 0.00 O ATOM 598 CB TYR A 48 -21.331 3.323 -4.812 1.00 0.00 C ATOM 599 CG TYR A 48 -19.989 3.630 -5.424 1.00 0.00 C ATOM 600 CD1 TYR A 48 -19.071 4.409 -4.738 1.00 0.00 C ATOM 601 CD2 TYR A 48 -19.625 3.114 -6.658 1.00 0.00 C ATOM 602 CE1 TYR A 48 -17.830 4.688 -5.277 1.00 0.00 C ATOM 603 CE2 TYR A 48 -18.387 3.384 -7.207 1.00 0.00 C ATOM 604 CZ TYR A 48 -17.492 4.173 -6.512 1.00 0.00 C ATOM 605 OH TYR A 48 -16.257 4.447 -7.055 1.00 0.00 O ATOM 0 H TYR A 48 -19.996 0.975 -3.910 1.00 0.00 H new ATOM 0 HA TYR A 48 -21.151 3.411 -2.684 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -21.896 2.684 -5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -21.895 4.249 -4.703 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.330 4.804 -3.767 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -20.321 2.490 -7.199 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.129 5.305 -4.735 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -18.121 2.981 -8.173 1.00 0.00 H new ATOM 0 HH TYR A 48 -16.179 4.008 -7.928 1.00 0.00 H new ATOM 615 N CYS A 49 -23.203 2.256 -2.139 1.00 0.00 N ATOM 616 CA CYS A 49 -24.426 1.582 -1.722 1.00 0.00 C ATOM 617 C CYS A 49 -25.534 1.769 -2.752 1.00 0.00 C ATOM 618 O CYS A 49 -25.989 2.886 -2.996 1.00 0.00 O ATOM 619 CB CYS A 49 -24.884 2.115 -0.362 1.00 0.00 C ATOM 620 SG CYS A 49 -26.510 1.491 0.175 1.00 0.00 S ATOM 0 H CYS A 49 -22.968 3.079 -1.584 1.00 0.00 H new ATOM 0 HA CYS A 49 -24.213 0.516 -1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -24.140 1.850 0.389 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -24.921 3.204 -0.404 1.00 0.00 H new ATOM 625 N GLU A 50 -25.973 0.663 -3.343 1.00 0.00 N ATOM 626 CA GLU A 50 -27.036 0.697 -4.339 1.00 0.00 C ATOM 627 C GLU A 50 -27.783 -0.632 -4.379 1.00 0.00 C ATOM 628 O GLU A 50 -27.495 -1.541 -3.601 1.00 0.00 O ATOM 629 CB GLU A 50 -26.462 1.014 -5.720 1.00 0.00 C ATOM 630 CG GLU A 50 -26.679 2.455 -6.153 1.00 0.00 C ATOM 631 CD GLU A 50 -25.461 3.052 -6.829 1.00 0.00 C ATOM 632 OE1 GLU A 50 -24.390 3.102 -6.187 1.00 0.00 O ATOM 633 OE2 GLU A 50 -25.578 3.473 -7.999 1.00 0.00 O ATOM 0 H GLU A 50 -25.608 -0.269 -3.149 1.00 0.00 H new ATOM 0 HA GLU A 50 -27.738 1.482 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -25.393 0.801 -5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -26.917 0.350 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -27.528 2.501 -6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -26.938 3.057 -5.282 1.00 0.00 H new ATOM 640 N LEU A 51 -28.744 -0.738 -5.290 1.00 0.00 N ATOM 641 CA LEU A 51 -29.529 -1.959 -5.429 1.00 0.00 C ATOM 642 C LEU A 51 -28.958 -2.853 -6.521 1.00 0.00 C ATOM 643 O LEU A 51 -28.142 -2.417 -7.332 1.00 0.00 O ATOM 644 CB LEU A 51 -30.989 -1.629 -5.747 1.00 0.00 C ATOM 645 CG LEU A 51 -31.198 -0.772 -6.996 1.00 0.00 C ATOM 646 CD1 LEU A 51 -32.234 0.310 -6.734 1.00 0.00 C ATOM 647 CD2 LEU A 51 -31.615 -1.639 -8.174 1.00 0.00 C ATOM 0 H LEU A 51 -28.998 0.005 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 51 -29.482 -2.492 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -31.539 -2.562 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -31.424 -1.111 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 51 -30.253 -0.288 -7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -32.369 0.910 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -33.182 -0.153 -6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -31.894 0.950 -5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -31.759 -1.012 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -30.838 -2.376 -8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -32.547 -2.151 -7.937 1.00 0.00 H new ATOM 659 N GLY A 52 -29.398 -4.106 -6.540 1.00 0.00 N ATOM 660 CA GLY A 52 -28.920 -5.041 -7.538 1.00 0.00 C ATOM 661 C GLY A 52 -29.760 -5.025 -8.800 1.00 0.00 C ATOM 662 O GLY A 52 -30.112 -3.959 -9.306 1.00 0.00 O ATOM 0 H GLY A 52 -30.077 -4.490 -5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -27.887 -4.801 -7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -28.920 -6.047 -7.118 1.00 0.00 H new ATOM 666 N SER A 53 -30.079 -6.209 -9.310 1.00 0.00 N ATOM 667 CA SER A 53 -30.878 -6.327 -10.524 1.00 0.00 C ATOM 668 C SER A 53 -32.360 -6.464 -10.192 1.00 0.00 C ATOM 669 O SER A 53 -33.211 -5.877 -10.859 1.00 0.00 O ATOM 670 CB SER A 53 -30.414 -7.531 -11.347 1.00 0.00 C ATOM 671 OG SER A 53 -30.602 -7.304 -12.733 1.00 0.00 O ATOM 0 H SER A 53 -29.797 -7.100 -8.902 1.00 0.00 H new ATOM 0 HA SER A 53 -30.740 -5.418 -11.110 1.00 0.00 H new ATOM 0 HB2 SER A 53 -29.361 -7.728 -11.147 1.00 0.00 H new ATOM 0 HB3 SER A 53 -30.968 -8.419 -11.042 1.00 0.00 H new ATOM 0 HG SER A 53 -30.296 -8.087 -13.237 1.00 0.00 H new ATOM 677 N THR A 54 -32.661 -7.242 -9.158 1.00 0.00 N ATOM 678 CA THR A 54 -34.042 -7.457 -8.741 1.00 0.00 C ATOM 679 C THR A 54 -34.431 -6.498 -7.621 1.00 0.00 C ATOM 680 O THR A 54 -35.064 -6.895 -6.642 1.00 0.00 O ATOM 681 CB THR A 54 -34.238 -8.903 -8.281 1.00 0.00 C ATOM 682 OG1 THR A 54 -33.826 -9.060 -6.934 1.00 0.00 O ATOM 683 CG2 THR A 54 -33.475 -9.908 -9.116 1.00 0.00 C ATOM 0 H THR A 54 -31.968 -7.734 -8.594 1.00 0.00 H new ATOM 0 HA THR A 54 -34.687 -7.264 -9.598 1.00 0.00 H new ATOM 0 HB THR A 54 -35.304 -9.099 -8.394 1.00 0.00 H new ATOM 0 HG1 THR A 54 -34.404 -8.525 -6.351 1.00 0.00 H new ATOM 0 HG21 THR A 54 -33.659 -10.912 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A 54 -33.807 -9.847 -10.152 1.00 0.00 H new ATOM 0 HG23 THR A 54 -32.408 -9.690 -9.063 1.00 0.00 H new ATOM 691 N GLY A 55 -34.051 -5.234 -7.772 1.00 0.00 N ATOM 692 CA GLY A 55 -34.372 -4.237 -6.767 1.00 0.00 C ATOM 693 C GLY A 55 -33.846 -4.603 -5.392 1.00 0.00 C ATOM 694 O GLY A 55 -34.312 -4.075 -4.383 1.00 0.00 O ATOM 0 H GLY A 55 -33.526 -4.882 -8.573 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -33.954 -3.276 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -35.454 -4.113 -6.717 1.00 0.00 H new ATOM 698 N SER A 56 -32.872 -5.507 -5.352 1.00 0.00 N ATOM 699 CA SER A 56 -32.282 -5.937 -4.089 1.00 0.00 C ATOM 700 C SER A 56 -31.268 -4.916 -3.587 1.00 0.00 C ATOM 701 O SER A 56 -31.164 -3.815 -4.126 1.00 0.00 O ATOM 702 CB SER A 56 -31.610 -7.301 -4.255 1.00 0.00 C ATOM 703 OG SER A 56 -31.483 -7.964 -3.008 1.00 0.00 O ATOM 0 H SER A 56 -32.475 -5.955 -6.178 1.00 0.00 H new ATOM 0 HA SER A 56 -33.081 -6.020 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 56 -32.194 -7.916 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 56 -30.625 -7.172 -4.704 1.00 0.00 H new ATOM 0 HG SER A 56 -31.052 -8.834 -3.142 1.00 0.00 H new ATOM 709 N MET A 57 -30.521 -5.291 -2.554 1.00 0.00 N ATOM 710 CA MET A 57 -29.519 -4.410 -1.968 1.00 0.00 C ATOM 711 C MET A 57 -28.119 -4.954 -2.215 1.00 0.00 C ATOM 712 O MET A 57 -27.861 -6.143 -2.027 1.00 0.00 O ATOM 713 CB MET A 57 -29.750 -4.249 -0.459 1.00 0.00 C ATOM 714 CG MET A 57 -31.159 -4.598 -0.001 1.00 0.00 C ATOM 715 SD MET A 57 -31.275 -6.261 0.685 1.00 0.00 S ATOM 716 CE MET A 57 -32.617 -6.054 1.852 1.00 0.00 C ATOM 0 H MET A 57 -30.592 -6.204 -2.104 1.00 0.00 H new ATOM 0 HA MET A 57 -29.612 -3.434 -2.445 1.00 0.00 H new ATOM 0 HB2 MET A 57 -29.040 -4.881 0.075 1.00 0.00 H new ATOM 0 HB3 MET A 57 -29.534 -3.218 -0.178 1.00 0.00 H new ATOM 0 HG2 MET A 57 -31.482 -3.876 0.749 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.844 -4.509 -0.845 1.00 0.00 H new ATOM 0 HE1 MET A 57 -32.808 -7.000 2.358 1.00 0.00 H new ATOM 0 HE2 MET A 57 -32.346 -5.297 2.588 1.00 0.00 H new ATOM 0 HE3 MET A 57 -33.515 -5.738 1.321 1.00 0.00 H new ATOM 726 N VAL A 58 -27.220 -4.078 -2.636 1.00 0.00 N ATOM 727 CA VAL A 58 -25.847 -4.468 -2.915 1.00 0.00 C ATOM 728 C VAL A 58 -24.893 -3.307 -2.675 1.00 0.00 C ATOM 729 O VAL A 58 -25.320 -2.192 -2.372 1.00 0.00 O ATOM 730 CB VAL A 58 -25.688 -4.947 -4.365 1.00 0.00 C ATOM 731 CG1 VAL A 58 -26.179 -6.379 -4.518 1.00 0.00 C ATOM 732 CG2 VAL A 58 -26.432 -4.016 -5.303 1.00 0.00 C ATOM 0 H VAL A 58 -27.417 -3.090 -2.792 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.604 -5.287 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 58 -24.630 -4.929 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -26.057 -6.697 -5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -25.600 -7.034 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -27.233 -6.434 -4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -26.314 -4.363 -6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -27.490 -4.007 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -26.027 -3.008 -5.212 1.00 0.00 H new ATOM 742 N TRP A 59 -23.603 -3.569 -2.830 1.00 0.00 N ATOM 743 CA TRP A 59 -22.591 -2.542 -2.643 1.00 0.00 C ATOM 744 C TRP A 59 -21.659 -2.471 -3.845 1.00 0.00 C ATOM 745 O TRP A 59 -21.088 -3.479 -4.263 1.00 0.00 O ATOM 746 CB TRP A 59 -21.782 -2.819 -1.378 1.00 0.00 C ATOM 747 CG TRP A 59 -22.443 -2.332 -0.127 1.00 0.00 C ATOM 748 CD1 TRP A 59 -23.274 -3.043 0.690 1.00 0.00 C ATOM 749 CD2 TRP A 59 -22.317 -1.031 0.459 1.00 0.00 C ATOM 750 NE1 TRP A 59 -23.674 -2.263 1.748 1.00 0.00 N ATOM 751 CE2 TRP A 59 -23.104 -1.022 1.626 1.00 0.00 C ATOM 752 CE3 TRP A 59 -21.622 0.130 0.107 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -23.207 0.102 2.442 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -21.726 1.240 0.920 1.00 0.00 C ATOM 755 CH2 TRP A 59 -22.510 1.218 2.073 1.00 0.00 C ATOM 0 H TRP A 59 -23.233 -4.485 -3.085 1.00 0.00 H new ATOM 0 HA TRP A 59 -23.099 -1.583 -2.541 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -21.610 -3.892 -1.294 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.805 -2.346 -1.471 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -23.573 -4.068 0.528 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -24.294 -2.559 2.502 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -21.014 0.158 -0.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.816 0.092 3.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -21.191 2.141 0.659 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.568 2.103 2.689 1.00 0.00 H new ATOM 766 N ASN A 60 -21.494 -1.271 -4.385 1.00 0.00 N ATOM 767 CA ASN A 60 -20.618 -1.064 -5.529 1.00 0.00 C ATOM 768 C ASN A 60 -19.163 -1.249 -5.117 1.00 0.00 C ATOM 769 O ASN A 60 -18.861 -1.256 -3.924 1.00 0.00 O ATOM 770 CB ASN A 60 -20.831 0.328 -6.108 1.00 0.00 C ATOM 771 CG ASN A 60 -21.826 0.340 -7.248 1.00 0.00 C ATOM 772 OD1 ASN A 60 -21.687 1.109 -8.198 1.00 0.00 O ATOM 773 ND2 ASN A 60 -22.829 -0.520 -7.169 1.00 0.00 N ATOM 0 H ASN A 60 -21.956 -0.426 -4.049 1.00 0.00 H new ATOM 0 HA ASN A 60 -20.860 -1.801 -6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.180 0.995 -5.320 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.877 0.721 -6.460 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.524 -0.563 -7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.907 -1.140 -6.363 1.00 0.00 H new ATOM 780 N PRO A 61 -18.259 -1.436 -6.109 1.00 0.00 N ATOM 781 CA PRO A 61 -16.828 -1.663 -5.923 1.00 0.00 C ATOM 782 C PRO A 61 -16.306 -1.293 -4.541 1.00 0.00 C ATOM 783 O PRO A 61 -15.932 -0.150 -4.287 1.00 0.00 O ATOM 784 CB PRO A 61 -16.244 -0.767 -7.010 1.00 0.00 C ATOM 785 CG PRO A 61 -17.289 -0.735 -8.097 1.00 0.00 C ATOM 786 CD PRO A 61 -18.547 -1.372 -7.540 1.00 0.00 C ATOM 0 HA PRO A 61 -16.557 -2.716 -5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -16.041 0.234 -6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -15.300 -1.164 -7.383 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -17.485 0.291 -8.410 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -16.943 -1.276 -8.977 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -19.433 -0.773 -7.750 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.723 -2.361 -7.964 1.00 0.00 H new ATOM 794 N GLU A 62 -16.256 -2.290 -3.661 1.00 0.00 N ATOM 795 CA GLU A 62 -15.823 -2.085 -2.285 1.00 0.00 C ATOM 796 C GLU A 62 -14.383 -2.537 -2.067 1.00 0.00 C ATOM 797 O GLU A 62 -13.469 -1.716 -2.050 1.00 0.00 O ATOM 798 CB GLU A 62 -16.751 -2.821 -1.297 1.00 0.00 C ATOM 799 CG GLU A 62 -17.882 -3.615 -1.942 1.00 0.00 C ATOM 800 CD GLU A 62 -17.435 -4.979 -2.431 1.00 0.00 C ATOM 801 OE1 GLU A 62 -18.308 -5.842 -2.663 1.00 0.00 O ATOM 802 OE2 GLU A 62 -16.213 -5.184 -2.584 1.00 0.00 O ATOM 0 H GLU A 62 -16.512 -3.253 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.876 -1.013 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.149 -3.500 -0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.184 -2.089 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.690 -3.739 -1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.287 -3.048 -2.780 1.00 0.00 H new ATOM 809 N ALA A 63 -14.198 -3.839 -1.861 1.00 0.00 N ATOM 810 CA ALA A 63 -12.882 -4.404 -1.564 1.00 0.00 C ATOM 811 C ALA A 63 -11.964 -4.431 -2.785 1.00 0.00 C ATOM 812 O ALA A 63 -12.104 -5.293 -3.653 1.00 0.00 O ATOM 813 CB ALA A 63 -13.041 -5.809 -1.006 1.00 0.00 C ATOM 0 H ALA A 63 -14.949 -4.528 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.412 -3.756 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.058 -6.226 -0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.633 -5.772 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.546 -6.437 -1.740 1.00 0.00 H new ATOM 819 N PRO A 64 -10.955 -3.539 -2.832 1.00 0.00 N ATOM 820 CA PRO A 64 -9.980 -3.484 -3.915 1.00 0.00 C ATOM 821 C PRO A 64 -8.774 -4.372 -3.616 1.00 0.00 C ATOM 822 O PRO A 64 -8.869 -5.307 -2.821 1.00 0.00 O ATOM 823 CB PRO A 64 -9.568 -1.999 -3.937 1.00 0.00 C ATOM 824 CG PRO A 64 -10.264 -1.360 -2.768 1.00 0.00 C ATOM 825 CD PRO A 64 -10.674 -2.483 -1.861 1.00 0.00 C ATOM 0 HA PRO A 64 -10.379 -3.838 -4.865 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.486 -1.893 -3.853 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.863 -1.526 -4.873 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.601 -0.665 -2.252 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.132 -0.788 -3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.882 -2.762 -1.166 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.549 -2.230 -1.262 1.00 0.00 H new ATOM 833 N ILE A 65 -7.634 -4.064 -4.226 1.00 0.00 N ATOM 834 CA ILE A 65 -6.418 -4.830 -3.987 1.00 0.00 C ATOM 835 C ILE A 65 -5.597 -4.209 -2.865 1.00 0.00 C ATOM 836 O ILE A 65 -5.820 -3.064 -2.480 1.00 0.00 O ATOM 837 CB ILE A 65 -5.541 -4.917 -5.244 1.00 0.00 C ATOM 838 CG1 ILE A 65 -6.406 -5.079 -6.495 1.00 0.00 C ATOM 839 CG2 ILE A 65 -4.550 -6.060 -5.122 1.00 0.00 C ATOM 840 CD1 ILE A 65 -6.991 -6.467 -6.657 1.00 0.00 C ATOM 0 H ILE A 65 -7.528 -3.293 -4.886 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.734 -5.834 -3.705 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.980 -3.987 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.219 -4.354 -6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.806 -4.843 -7.374 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.936 -6.107 -6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.910 -5.896 -4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.090 -6.999 -5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.592 -6.505 -7.566 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.184 -7.196 -6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.619 -6.700 -5.797 1.00 0.00 H new ATOM 852 N CYS A 66 -4.639 -4.966 -2.355 1.00 0.00 N ATOM 853 CA CYS A 66 -3.778 -4.487 -1.282 1.00 0.00 C ATOM 854 C CYS A 66 -2.618 -5.445 -1.044 1.00 0.00 C ATOM 855 O CYS A 66 -2.802 -6.661 -1.003 1.00 0.00 O ATOM 856 CB CYS A 66 -4.581 -4.319 0.006 1.00 0.00 C ATOM 857 SG CYS A 66 -4.975 -2.589 0.422 1.00 0.00 S ATOM 0 H CYS A 66 -4.437 -5.916 -2.666 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.373 -3.521 -1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.511 -4.880 -0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.021 -4.760 0.830 1.00 0.00 H new ATOM 862 N GLU A 67 -1.424 -4.889 -0.873 1.00 0.00 N ATOM 863 CA GLU A 67 -0.236 -5.695 -0.630 1.00 0.00 C ATOM 864 C GLU A 67 0.866 -4.860 0.010 1.00 0.00 C ATOM 865 O GLU A 67 0.745 -3.641 0.129 1.00 0.00 O ATOM 866 CB GLU A 67 0.267 -6.305 -1.939 1.00 0.00 C ATOM 867 CG GLU A 67 0.969 -7.641 -1.759 1.00 0.00 C ATOM 868 CD GLU A 67 0.537 -8.668 -2.786 1.00 0.00 C ATOM 869 OE1 GLU A 67 -0.686 -8.824 -2.991 1.00 0.00 O ATOM 870 OE2 GLU A 67 1.420 -9.314 -3.389 1.00 0.00 O ATOM 0 H GLU A 67 -1.254 -3.884 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.506 -6.497 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.577 -6.436 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.953 -5.605 -2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.047 -7.494 -1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.764 -8.024 -0.759 1.00 0.00 H new ATOM 877 N SER A 68 1.940 -5.524 0.421 1.00 0.00 N ATOM 878 CA SER A 68 3.064 -4.841 1.047 1.00 0.00 C ATOM 879 C SER A 68 4.081 -4.400 0.003 1.00 0.00 C ATOM 880 O SER A 68 4.804 -5.221 -0.562 1.00 0.00 O ATOM 881 CB SER A 68 3.733 -5.754 2.076 1.00 0.00 C ATOM 882 OG SER A 68 4.752 -6.538 1.479 1.00 0.00 O ATOM 0 H SER A 68 2.055 -6.534 0.332 1.00 0.00 H new ATOM 0 HA SER A 68 2.683 -3.954 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.157 -5.152 2.879 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.986 -6.407 2.528 1.00 0.00 H new ATOM 0 HG SER A 68 4.588 -6.609 0.515 1.00 0.00 H new ATOM 888 N VAL A 69 4.136 -3.094 -0.240 1.00 0.00 N ATOM 889 CA VAL A 69 5.063 -2.526 -1.214 1.00 0.00 C ATOM 890 C VAL A 69 6.450 -3.157 -1.102 1.00 0.00 C ATOM 891 O VAL A 69 7.274 -2.727 -0.296 1.00 0.00 O ATOM 892 CB VAL A 69 5.195 -1.005 -1.031 1.00 0.00 C ATOM 893 CG1 VAL A 69 5.432 -0.670 0.431 1.00 0.00 C ATOM 894 CG2 VAL A 69 3.963 -0.289 -1.556 1.00 0.00 C ATOM 0 H VAL A 69 3.546 -2.405 0.227 1.00 0.00 H new ATOM 0 HA VAL A 69 4.652 -2.741 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 69 6.053 -0.661 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.524 0.410 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.593 -1.029 1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.350 -1.150 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.079 0.786 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.841 -0.505 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.083 -0.633 -1.012 1.00 0.00 H new ATOM 904 N LYS A 70 6.696 -4.182 -1.909 1.00 0.00 N ATOM 905 CA LYS A 70 7.976 -4.880 -1.888 1.00 0.00 C ATOM 906 C LYS A 70 9.067 -4.060 -2.566 1.00 0.00 C ATOM 907 O LYS A 70 8.918 -3.632 -3.710 1.00 0.00 O ATOM 908 CB LYS A 70 7.851 -6.239 -2.578 1.00 0.00 C ATOM 909 CG LYS A 70 7.552 -7.382 -1.624 1.00 0.00 C ATOM 910 CD LYS A 70 8.792 -8.219 -1.356 1.00 0.00 C ATOM 911 CE LYS A 70 8.565 -9.202 -0.219 1.00 0.00 C ATOM 912 NZ LYS A 70 7.927 -10.461 -0.693 1.00 0.00 N ATOM 0 H LYS A 70 6.027 -4.548 -2.586 1.00 0.00 H new ATOM 0 HA LYS A 70 8.255 -5.027 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.060 -6.185 -3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.778 -6.454 -3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.170 -6.983 -0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.769 -8.013 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.067 -8.763 -2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.628 -7.564 -1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.518 -9.434 0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.935 -8.739 0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.789 -11.105 0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.006 -10.243 -1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.540 -10.916 -1.399 1.00 0.00 H new ATOM 926 N CYS A 71 10.172 -3.861 -1.856 1.00 0.00 N ATOM 927 CA CYS A 71 11.308 -3.123 -2.391 1.00 0.00 C ATOM 928 C CYS A 71 12.426 -4.084 -2.762 1.00 0.00 C ATOM 929 O CYS A 71 13.015 -4.733 -1.898 1.00 0.00 O ATOM 930 CB CYS A 71 11.837 -2.081 -1.389 1.00 0.00 C ATOM 931 SG CYS A 71 10.850 -1.873 0.135 1.00 0.00 S ATOM 0 H CYS A 71 10.304 -4.203 -0.904 1.00 0.00 H new ATOM 0 HA CYS A 71 10.965 -2.593 -3.279 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.853 -2.359 -1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.899 -1.117 -1.894 1.00 0.00 H new ATOM 936 N GLN A 72 12.710 -4.170 -4.052 1.00 0.00 N ATOM 937 CA GLN A 72 13.751 -5.057 -4.542 1.00 0.00 C ATOM 938 C GLN A 72 15.125 -4.554 -4.118 1.00 0.00 C ATOM 939 O GLN A 72 15.244 -3.767 -3.179 1.00 0.00 O ATOM 940 CB GLN A 72 13.666 -5.164 -6.066 1.00 0.00 C ATOM 941 CG GLN A 72 14.103 -3.906 -6.800 1.00 0.00 C ATOM 942 CD GLN A 72 12.987 -2.886 -6.918 1.00 0.00 C ATOM 943 OE1 GLN A 72 13.155 -1.721 -6.559 1.00 0.00 O ATOM 944 NE2 GLN A 72 11.839 -3.323 -7.420 1.00 0.00 N ATOM 0 H GLN A 72 12.233 -3.636 -4.778 1.00 0.00 H new ATOM 0 HA GLN A 72 13.603 -6.047 -4.110 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.285 -5.998 -6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.639 -5.398 -6.347 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.947 -3.458 -6.276 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.453 -4.174 -7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.745 -4.298 -7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.051 -2.684 -7.521 1.00 0.00 H new ATOM 953 N SER A 73 16.160 -5.003 -4.818 1.00 0.00 N ATOM 954 CA SER A 73 17.528 -4.602 -4.510 1.00 0.00 C ATOM 955 C SER A 73 17.620 -3.094 -4.254 1.00 0.00 C ATOM 956 O SER A 73 17.042 -2.297 -4.993 1.00 0.00 O ATOM 957 CB SER A 73 18.450 -4.997 -5.665 1.00 0.00 C ATOM 958 OG SER A 73 19.558 -4.120 -5.766 1.00 0.00 O ATOM 0 H SER A 73 16.078 -5.647 -5.605 1.00 0.00 H new ATOM 0 HA SER A 73 17.841 -5.115 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.804 -6.017 -5.517 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.889 -4.986 -6.600 1.00 0.00 H new ATOM 0 HG SER A 73 20.059 -4.319 -6.584 1.00 0.00 H new ATOM 964 N PRO A 74 18.343 -2.682 -3.196 1.00 0.00 N ATOM 965 CA PRO A 74 18.494 -1.263 -2.851 1.00 0.00 C ATOM 966 C PRO A 74 19.098 -0.453 -3.998 1.00 0.00 C ATOM 967 O PRO A 74 19.680 -1.015 -4.926 1.00 0.00 O ATOM 968 CB PRO A 74 19.432 -1.277 -1.637 1.00 0.00 C ATOM 969 CG PRO A 74 19.333 -2.659 -1.086 1.00 0.00 C ATOM 970 CD PRO A 74 19.064 -3.558 -2.257 1.00 0.00 C ATOM 0 HA PRO A 74 17.534 -0.790 -2.645 1.00 0.00 H new ATOM 0 HB2 PRO A 74 20.456 -1.041 -1.927 1.00 0.00 H new ATOM 0 HB3 PRO A 74 19.131 -0.535 -0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 74 20.256 -2.944 -0.581 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.532 -2.728 -0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.988 -3.940 -2.692 1.00 0.00 H new ATOM 0 HD3 PRO A 74 18.464 -4.422 -1.972 1.00 0.00 H new ATOM 978 N PRO A 75 18.944 0.883 -3.961 1.00 0.00 N ATOM 979 CA PRO A 75 19.460 1.769 -5.005 1.00 0.00 C ATOM 980 C PRO A 75 20.868 1.400 -5.453 1.00 0.00 C ATOM 981 O PRO A 75 21.625 0.774 -4.712 1.00 0.00 O ATOM 982 CB PRO A 75 19.463 3.137 -4.328 1.00 0.00 C ATOM 983 CG PRO A 75 18.348 3.071 -3.342 1.00 0.00 C ATOM 984 CD PRO A 75 18.257 1.634 -2.894 1.00 0.00 C ATOM 0 HA PRO A 75 18.857 1.718 -5.912 1.00 0.00 H new ATOM 0 HB2 PRO A 75 20.416 3.334 -3.836 1.00 0.00 H new ATOM 0 HB3 PRO A 75 19.306 3.937 -5.051 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.540 3.730 -2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.411 3.397 -3.794 1.00 0.00 H new ATOM 0 HD2 PRO A 75 18.739 1.486 -1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.220 1.315 -2.785 1.00 0.00 H new ATOM 992 N SER A 76 21.214 1.807 -6.668 1.00 0.00 N ATOM 993 CA SER A 76 22.537 1.545 -7.217 1.00 0.00 C ATOM 994 C SER A 76 23.381 2.814 -7.196 1.00 0.00 C ATOM 995 O SER A 76 23.368 3.597 -8.145 1.00 0.00 O ATOM 996 CB SER A 76 22.424 1.014 -8.648 1.00 0.00 C ATOM 997 OG SER A 76 23.530 0.191 -8.976 1.00 0.00 O ATOM 0 H SER A 76 20.594 2.322 -7.293 1.00 0.00 H new ATOM 0 HA SER A 76 23.023 0.790 -6.600 1.00 0.00 H new ATOM 0 HB2 SER A 76 21.500 0.447 -8.757 1.00 0.00 H new ATOM 0 HB3 SER A 76 22.369 1.849 -9.346 1.00 0.00 H new ATOM 0 HG SER A 76 23.433 -0.137 -9.894 1.00 0.00 H new ATOM 1003 N ILE A 77 24.110 3.013 -6.103 1.00 0.00 N ATOM 1004 CA ILE A 77 24.940 4.201 -5.947 1.00 0.00 C ATOM 1005 C ILE A 77 26.126 4.179 -6.901 1.00 0.00 C ATOM 1006 O ILE A 77 26.346 3.199 -7.614 1.00 0.00 O ATOM 1007 CB ILE A 77 25.463 4.338 -4.504 1.00 0.00 C ATOM 1008 CG1 ILE A 77 26.391 3.170 -4.154 1.00 0.00 C ATOM 1009 CG2 ILE A 77 24.303 4.409 -3.524 1.00 0.00 C ATOM 1010 CD1 ILE A 77 27.401 3.502 -3.078 1.00 0.00 C ATOM 0 H ILE A 77 24.143 2.368 -5.314 1.00 0.00 H new ATOM 0 HA ILE A 77 24.306 5.056 -6.181 1.00 0.00 H new ATOM 0 HB ILE A 77 26.034 5.263 -4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 77 25.788 2.323 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 77 26.920 2.855 -5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.689 4.506 -2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 77 23.680 5.272 -3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.706 3.500 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 77 28.024 2.629 -2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 77 28.029 4.328 -3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 77 26.879 3.788 -2.165 1.00 0.00 H new ATOM 1022 N SER A 78 26.890 5.264 -6.904 1.00 0.00 N ATOM 1023 CA SER A 78 28.065 5.368 -7.758 1.00 0.00 C ATOM 1024 C SER A 78 29.314 4.932 -7.006 1.00 0.00 C ATOM 1025 O SER A 78 29.468 5.219 -5.819 1.00 0.00 O ATOM 1026 CB SER A 78 28.235 6.803 -8.259 1.00 0.00 C ATOM 1027 OG SER A 78 27.984 7.739 -7.225 1.00 0.00 O ATOM 0 H SER A 78 26.716 6.085 -6.324 1.00 0.00 H new ATOM 0 HA SER A 78 27.923 4.708 -8.614 1.00 0.00 H new ATOM 0 HB2 SER A 78 29.247 6.941 -8.640 1.00 0.00 H new ATOM 0 HB3 SER A 78 27.554 6.984 -9.090 1.00 0.00 H new ATOM 0 HG SER A 78 28.101 8.648 -7.571 1.00 0.00 H new ATOM 1033 N ASN A 79 30.200 4.231 -7.701 1.00 0.00 N ATOM 1034 CA ASN A 79 31.436 3.761 -7.100 1.00 0.00 C ATOM 1035 C ASN A 79 31.155 2.873 -5.896 1.00 0.00 C ATOM 1036 O ASN A 79 31.962 2.794 -4.969 1.00 0.00 O ATOM 1037 CB ASN A 79 32.299 4.951 -6.679 1.00 0.00 C ATOM 1038 CG ASN A 79 32.284 6.065 -7.700 1.00 0.00 C ATOM 1039 OD1 ASN A 79 31.352 6.991 -7.546 1.00 0.00 O flip ATOM 1040 ND2 ASN A 79 33.107 6.096 -8.615 1.00 0.00 N flip ATOM 0 H ASN A 79 30.084 3.976 -8.682 1.00 0.00 H new ATOM 0 HA ASN A 79 31.972 3.171 -7.843 1.00 0.00 H new ATOM 0 HB2 ASN A 79 31.943 5.334 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 79 33.325 4.616 -6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 79 33.809 5.360 -8.695 1.00 0.00 H new ATOM 0 HD22 ASN A 79 33.087 6.858 -9.293 1.00 0.00 H new ATOM 1047 N GLY A 80 30.010 2.200 -5.915 1.00 0.00 N ATOM 1048 CA GLY A 80 29.657 1.324 -4.815 1.00 0.00 C ATOM 1049 C GLY A 80 28.491 0.408 -5.131 1.00 0.00 C ATOM 1050 O GLY A 80 28.046 0.323 -6.275 1.00 0.00 O ATOM 0 H GLY A 80 29.324 2.245 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 80 30.524 0.719 -4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 80 29.409 1.929 -3.943 1.00 0.00 H new ATOM 1054 N ARG A 81 28.008 -0.288 -4.107 1.00 0.00 N ATOM 1055 CA ARG A 81 26.900 -1.217 -4.258 1.00 0.00 C ATOM 1056 C ARG A 81 26.221 -1.463 -2.919 1.00 0.00 C ATOM 1057 O ARG A 81 26.550 -0.832 -1.914 1.00 0.00 O ATOM 1058 CB ARG A 81 27.396 -2.540 -4.840 1.00 0.00 C ATOM 1059 CG ARG A 81 28.746 -2.972 -4.302 1.00 0.00 C ATOM 1060 CD ARG A 81 29.364 -4.041 -5.183 1.00 0.00 C ATOM 1061 NE ARG A 81 29.247 -5.370 -4.592 1.00 0.00 N ATOM 1062 CZ ARG A 81 29.990 -6.409 -4.959 1.00 0.00 C ATOM 1063 NH1 ARG A 81 29.823 -7.587 -4.373 1.00 0.00 N ATOM 1064 NH2 ARG A 81 30.902 -6.271 -5.912 1.00 0.00 N ATOM 0 H ARG A 81 28.372 -0.223 -3.156 1.00 0.00 H new ATOM 0 HA ARG A 81 26.174 -0.777 -4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 81 26.663 -3.318 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 81 27.459 -2.449 -5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 81 29.412 -2.111 -4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 81 28.632 -3.353 -3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 81 28.877 -4.034 -6.158 1.00 0.00 H new ATOM 0 HD3 ARG A 81 30.416 -3.810 -5.350 1.00 0.00 H new ATOM 0 HE ARG A 81 28.556 -5.510 -3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 81 29.123 -7.697 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 81 30.394 -8.383 -4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 81 31.034 -5.366 -6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 81 31.471 -7.069 -6.192 1.00 0.00 H new ATOM 1078 N HIS A 82 25.282 -2.394 -2.914 1.00 0.00 N ATOM 1079 CA HIS A 82 24.541 -2.734 -1.706 1.00 0.00 C ATOM 1080 C HIS A 82 24.785 -4.182 -1.300 1.00 0.00 C ATOM 1081 O HIS A 82 25.391 -4.955 -2.041 1.00 0.00 O ATOM 1082 CB HIS A 82 23.046 -2.518 -1.934 1.00 0.00 C ATOM 1083 CG HIS A 82 22.579 -3.026 -3.262 1.00 0.00 C ATOM 1084 ND1 HIS A 82 22.410 -4.368 -3.535 1.00 0.00 N ATOM 1085 CD2 HIS A 82 22.271 -2.369 -4.405 1.00 0.00 C ATOM 1086 CE1 HIS A 82 22.007 -4.513 -4.785 1.00 0.00 C ATOM 1087 NE2 HIS A 82 21.915 -3.316 -5.333 1.00 0.00 N ATOM 0 H HIS A 82 25.012 -2.932 -3.737 1.00 0.00 H new ATOM 0 HA HIS A 82 24.891 -2.085 -0.903 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.487 -3.018 -1.143 1.00 0.00 H new ATOM 0 HB3 HIS A 82 22.822 -1.454 -1.859 1.00 0.00 H new ATOM 0 HD2 HIS A 82 22.300 -1.300 -4.558 1.00 0.00 H new ATOM 0 HE1 HIS A 82 21.790 -5.451 -5.275 1.00 0.00 H new ATOM 0 HE2 HIS A 82 21.626 -3.125 -6.292 1.00 0.00 H new ATOM 1096 N ASN A 83 24.285 -4.545 -0.125 1.00 0.00 N ATOM 1097 CA ASN A 83 24.408 -5.908 0.376 1.00 0.00 C ATOM 1098 C ASN A 83 23.023 -6.526 0.550 1.00 0.00 C ATOM 1099 O ASN A 83 22.066 -6.103 -0.099 1.00 0.00 O ATOM 1100 CB ASN A 83 25.170 -5.919 1.704 1.00 0.00 C ATOM 1101 CG ASN A 83 26.453 -5.117 1.641 1.00 0.00 C ATOM 1102 OD1 ASN A 83 27.003 -4.886 0.563 1.00 0.00 O ATOM 1103 ND2 ASN A 83 26.939 -4.689 2.799 1.00 0.00 N ATOM 0 H ASN A 83 23.788 -3.911 0.501 1.00 0.00 H new ATOM 0 HA ASN A 83 24.968 -6.501 -0.347 1.00 0.00 H new ATOM 0 HB2 ASN A 83 24.531 -5.516 2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 83 25.401 -6.948 1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 83 27.802 -4.145 2.820 1.00 0.00 H new ATOM 0 HD22 ASN A 83 26.450 -4.904 3.668 1.00 0.00 H new ATOM 1110 N GLY A 84 22.911 -7.520 1.426 1.00 0.00 N ATOM 1111 CA GLY A 84 21.626 -8.152 1.654 1.00 0.00 C ATOM 1112 C GLY A 84 21.695 -9.661 1.563 1.00 0.00 C ATOM 1113 O GLY A 84 22.645 -10.216 1.011 1.00 0.00 O ATOM 0 H GLY A 84 23.682 -7.896 1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.255 -7.868 2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.908 -7.780 0.923 1.00 0.00 H new ATOM 1117 N TYR A 85 20.683 -10.326 2.107 1.00 0.00 N ATOM 1118 CA TYR A 85 20.623 -11.781 2.084 1.00 0.00 C ATOM 1119 C TYR A 85 19.509 -12.254 1.164 1.00 0.00 C ATOM 1120 O TYR A 85 19.663 -13.227 0.426 1.00 0.00 O ATOM 1121 CB TYR A 85 20.402 -12.339 3.496 1.00 0.00 C ATOM 1122 CG TYR A 85 20.902 -11.440 4.607 1.00 0.00 C ATOM 1123 CD1 TYR A 85 22.092 -10.736 4.474 1.00 0.00 C ATOM 1124 CD2 TYR A 85 20.182 -11.295 5.786 1.00 0.00 C ATOM 1125 CE1 TYR A 85 22.551 -9.914 5.486 1.00 0.00 C ATOM 1126 CE2 TYR A 85 20.634 -10.474 6.802 1.00 0.00 C ATOM 1127 CZ TYR A 85 21.819 -9.786 6.647 1.00 0.00 C ATOM 1128 OH TYR A 85 22.273 -8.967 7.656 1.00 0.00 O ATOM 0 H TYR A 85 19.892 -9.879 2.570 1.00 0.00 H new ATOM 0 HA TYR A 85 21.576 -12.151 1.706 1.00 0.00 H new ATOM 0 HB2 TYR A 85 19.336 -12.517 3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 85 20.901 -13.305 3.574 1.00 0.00 H new ATOM 0 HD1 TYR A 85 22.668 -10.832 3.565 1.00 0.00 H new ATOM 0 HD2 TYR A 85 19.254 -11.833 5.911 1.00 0.00 H new ATOM 0 HE1 TYR A 85 23.479 -9.374 5.368 1.00 0.00 H new ATOM 0 HE2 TYR A 85 20.062 -10.372 7.712 1.00 0.00 H new ATOM 0 HH TYR A 85 21.640 -8.988 8.404 1.00 0.00 H new ATOM 1138 N GLU A 86 18.392 -11.546 1.209 1.00 0.00 N ATOM 1139 CA GLU A 86 17.237 -11.876 0.405 1.00 0.00 C ATOM 1140 C GLU A 86 17.341 -11.279 -0.989 1.00 0.00 C ATOM 1141 O GLU A 86 18.331 -10.635 -1.335 1.00 0.00 O ATOM 1142 CB GLU A 86 15.981 -11.347 1.088 1.00 0.00 C ATOM 1143 CG GLU A 86 15.930 -11.648 2.572 1.00 0.00 C ATOM 1144 CD GLU A 86 16.111 -10.410 3.427 1.00 0.00 C ATOM 1145 OE1 GLU A 86 17.179 -9.771 3.328 1.00 0.00 O ATOM 1146 OE2 GLU A 86 15.185 -10.079 4.197 1.00 0.00 O ATOM 0 H GLU A 86 18.265 -10.728 1.805 1.00 0.00 H new ATOM 0 HA GLU A 86 17.188 -12.961 0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.924 -10.268 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.105 -11.781 0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.974 -12.113 2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.707 -12.372 2.819 1.00 0.00 H new ATOM 1153 N ASP A 87 16.294 -11.485 -1.773 1.00 0.00 N ATOM 1154 CA ASP A 87 16.218 -10.934 -3.118 1.00 0.00 C ATOM 1155 C ASP A 87 15.245 -9.756 -3.162 1.00 0.00 C ATOM 1156 O ASP A 87 15.239 -8.982 -4.118 1.00 0.00 O ATOM 1157 CB ASP A 87 15.779 -12.011 -4.111 1.00 0.00 C ATOM 1158 CG ASP A 87 16.950 -12.625 -4.853 1.00 0.00 C ATOM 1159 OD1 ASP A 87 17.954 -12.970 -4.196 1.00 0.00 O ATOM 1160 OD2 ASP A 87 16.863 -12.761 -6.091 1.00 0.00 O ATOM 0 H ASP A 87 15.479 -12.034 -1.498 1.00 0.00 H new ATOM 0 HA ASP A 87 17.210 -10.579 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.239 -12.794 -3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.084 -11.577 -4.830 1.00 0.00 H new ATOM 1165 N PHE A 88 14.424 -9.626 -2.118 1.00 0.00 N ATOM 1166 CA PHE A 88 13.456 -8.542 -2.036 1.00 0.00 C ATOM 1167 C PHE A 88 13.405 -7.983 -0.619 1.00 0.00 C ATOM 1168 O PHE A 88 14.100 -8.471 0.272 1.00 0.00 O ATOM 1169 CB PHE A 88 12.071 -9.039 -2.451 1.00 0.00 C ATOM 1170 CG PHE A 88 11.769 -8.833 -3.903 1.00 0.00 C ATOM 1171 CD1 PHE A 88 12.290 -9.686 -4.861 1.00 0.00 C ATOM 1172 CD2 PHE A 88 10.955 -7.790 -4.307 1.00 0.00 C ATOM 1173 CE1 PHE A 88 12.008 -9.498 -6.199 1.00 0.00 C ATOM 1174 CE2 PHE A 88 10.669 -7.596 -5.642 1.00 0.00 C ATOM 1175 CZ PHE A 88 11.196 -8.451 -6.592 1.00 0.00 C ATOM 0 H PHE A 88 14.414 -10.261 -1.320 1.00 0.00 H new ATOM 0 HA PHE A 88 13.766 -7.748 -2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.991 -10.101 -2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.317 -8.525 -1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.923 -10.507 -4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.539 -7.120 -3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.421 -10.168 -6.938 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.034 -6.777 -5.945 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.974 -8.301 -7.638 1.00 0.00 H new ATOM 1185 N TYR A 89 12.580 -6.963 -0.410 1.00 0.00 N ATOM 1186 CA TYR A 89 12.458 -6.350 0.906 1.00 0.00 C ATOM 1187 C TYR A 89 11.104 -5.662 1.063 1.00 0.00 C ATOM 1188 O TYR A 89 10.394 -5.445 0.083 1.00 0.00 O ATOM 1189 CB TYR A 89 13.594 -5.348 1.123 1.00 0.00 C ATOM 1190 CG TYR A 89 14.975 -5.950 0.954 1.00 0.00 C ATOM 1191 CD1 TYR A 89 15.567 -6.046 -0.301 1.00 0.00 C ATOM 1192 CD2 TYR A 89 15.684 -6.428 2.049 1.00 0.00 C ATOM 1193 CE1 TYR A 89 16.828 -6.587 -0.456 1.00 0.00 C ATOM 1194 CE2 TYR A 89 16.944 -6.977 1.900 1.00 0.00 C ATOM 1195 CZ TYR A 89 17.511 -7.053 0.646 1.00 0.00 C ATOM 1196 OH TYR A 89 18.766 -7.598 0.494 1.00 0.00 O ATOM 0 H TYR A 89 11.990 -6.546 -1.130 1.00 0.00 H new ATOM 0 HA TYR A 89 12.527 -7.134 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.478 -4.523 0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.510 -4.928 2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 89 15.031 -5.691 -1.169 1.00 0.00 H new ATOM 0 HD2 TYR A 89 15.243 -6.370 3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 89 17.277 -6.645 -1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 89 17.481 -7.344 2.762 1.00 0.00 H new ATOM 0 HH TYR A 89 19.213 -7.180 -0.271 1.00 0.00 H new ATOM 1206 N THR A 90 10.742 -5.338 2.301 1.00 0.00 N ATOM 1207 CA THR A 90 9.460 -4.695 2.573 1.00 0.00 C ATOM 1208 C THR A 90 9.547 -3.755 3.773 1.00 0.00 C ATOM 1209 O THR A 90 10.621 -3.539 4.332 1.00 0.00 O ATOM 1210 CB THR A 90 8.387 -5.755 2.819 1.00 0.00 C ATOM 1211 OG1 THR A 90 8.845 -6.729 3.740 1.00 0.00 O ATOM 1212 CG2 THR A 90 7.971 -6.474 1.558 1.00 0.00 C ATOM 0 H THR A 90 11.315 -5.509 3.128 1.00 0.00 H new ATOM 0 HA THR A 90 9.192 -4.100 1.700 1.00 0.00 H new ATOM 0 HB THR A 90 7.527 -5.216 3.216 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.143 -7.397 3.885 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.207 -7.214 1.796 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.569 -5.755 0.845 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.836 -6.973 1.121 1.00 0.00 H new ATOM 1220 N ASP A 91 8.404 -3.196 4.159 1.00 0.00 N ATOM 1221 CA ASP A 91 8.340 -2.270 5.280 1.00 0.00 C ATOM 1222 C ASP A 91 8.970 -2.865 6.524 1.00 0.00 C ATOM 1223 O ASP A 91 8.325 -3.589 7.283 1.00 0.00 O ATOM 1224 CB ASP A 91 6.893 -1.875 5.568 1.00 0.00 C ATOM 1225 CG ASP A 91 6.028 -3.067 5.927 1.00 0.00 C ATOM 1226 OD1 ASP A 91 5.005 -2.873 6.617 1.00 0.00 O ATOM 1227 OD2 ASP A 91 6.374 -4.196 5.519 1.00 0.00 O ATOM 0 H ASP A 91 7.506 -3.371 3.708 1.00 0.00 H new ATOM 0 HA ASP A 91 8.904 -1.379 5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.872 -1.155 6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.475 -1.376 4.694 1.00 0.00 H new ATOM 1232 N GLY A 92 10.231 -2.533 6.730 1.00 0.00 N ATOM 1233 CA GLY A 92 10.940 -3.001 7.901 1.00 0.00 C ATOM 1234 C GLY A 92 12.214 -3.752 7.569 1.00 0.00 C ATOM 1235 O GLY A 92 12.719 -4.515 8.393 1.00 0.00 O ATOM 0 H GLY A 92 10.781 -1.944 6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.184 -2.148 8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.283 -3.651 8.479 1.00 0.00 H new ATOM 1239 N SER A 93 12.743 -3.544 6.366 1.00 0.00 N ATOM 1240 CA SER A 93 13.975 -4.216 5.963 1.00 0.00 C ATOM 1241 C SER A 93 15.129 -3.226 5.865 1.00 0.00 C ATOM 1242 O SER A 93 14.931 -2.062 5.524 1.00 0.00 O ATOM 1243 CB SER A 93 13.785 -4.934 4.626 1.00 0.00 C ATOM 1244 OG SER A 93 12.413 -5.166 4.359 1.00 0.00 O ATOM 0 H SER A 93 12.344 -2.924 5.661 1.00 0.00 H new ATOM 0 HA SER A 93 14.218 -4.955 6.727 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.218 -4.336 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.321 -5.883 4.641 1.00 0.00 H new ATOM 0 HG SER A 93 11.959 -4.310 4.214 1.00 0.00 H new ATOM 1250 N VAL A 94 16.335 -3.691 6.172 1.00 0.00 N ATOM 1251 CA VAL A 94 17.515 -2.839 6.115 1.00 0.00 C ATOM 1252 C VAL A 94 18.624 -3.487 5.290 1.00 0.00 C ATOM 1253 O VAL A 94 18.647 -4.704 5.103 1.00 0.00 O ATOM 1254 CB VAL A 94 18.049 -2.515 7.527 1.00 0.00 C ATOM 1255 CG1 VAL A 94 16.992 -1.780 8.335 1.00 0.00 C ATOM 1256 CG2 VAL A 94 19.329 -1.693 7.450 1.00 0.00 C ATOM 0 H VAL A 94 16.520 -4.651 6.462 1.00 0.00 H new ATOM 0 HA VAL A 94 17.210 -1.909 5.635 1.00 0.00 H new ATOM 0 HB VAL A 94 18.281 -3.455 8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.382 -1.558 9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.731 -0.849 7.831 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.104 -2.405 8.426 1.00 0.00 H new ATOM 0 HG21 VAL A 94 19.685 -1.478 8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 94 20.090 -2.255 6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 94 19.129 -0.757 6.928 1.00 0.00 H new ATOM 1266 N VAL A 95 19.541 -2.659 4.801 1.00 0.00 N ATOM 1267 CA VAL A 95 20.660 -3.133 3.996 1.00 0.00 C ATOM 1268 C VAL A 95 21.863 -2.209 4.148 1.00 0.00 C ATOM 1269 O VAL A 95 21.710 -1.002 4.336 1.00 0.00 O ATOM 1270 CB VAL A 95 20.282 -3.223 2.506 1.00 0.00 C ATOM 1271 CG1 VAL A 95 21.349 -3.962 1.717 1.00 0.00 C ATOM 1272 CG2 VAL A 95 18.931 -3.898 2.339 1.00 0.00 C ATOM 0 H VAL A 95 19.530 -1.650 4.950 1.00 0.00 H new ATOM 0 HA VAL A 95 20.916 -4.129 4.356 1.00 0.00 H new ATOM 0 HB VAL A 95 20.214 -2.209 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 95 21.057 -4.011 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 95 22.298 -3.433 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 95 21.459 -4.972 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.680 -3.953 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 95 18.973 -4.905 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 95 18.169 -3.321 2.863 1.00 0.00 H new ATOM 1282 N THR A 96 23.058 -2.782 4.073 1.00 0.00 N ATOM 1283 CA THR A 96 24.283 -2.004 4.203 1.00 0.00 C ATOM 1284 C THR A 96 24.977 -1.856 2.855 1.00 0.00 C ATOM 1285 O THR A 96 25.162 -2.832 2.128 1.00 0.00 O ATOM 1286 CB THR A 96 25.229 -2.661 5.210 1.00 0.00 C ATOM 1287 OG1 THR A 96 24.816 -3.987 5.493 1.00 0.00 O ATOM 1288 CG2 THR A 96 25.317 -1.915 6.524 1.00 0.00 C ATOM 0 H THR A 96 23.205 -3.780 3.923 1.00 0.00 H new ATOM 0 HA THR A 96 24.016 -1.011 4.565 1.00 0.00 H new ATOM 0 HB THR A 96 26.211 -2.646 4.738 1.00 0.00 H new ATOM 0 HG1 THR A 96 25.434 -4.392 6.137 1.00 0.00 H new ATOM 0 HG21 THR A 96 26.004 -2.434 7.192 1.00 0.00 H new ATOM 0 HG22 THR A 96 25.681 -0.903 6.344 1.00 0.00 H new ATOM 0 HG23 THR A 96 24.330 -1.869 6.983 1.00 0.00 H new ATOM 1296 N TYR A 97 25.354 -0.628 2.527 1.00 0.00 N ATOM 1297 CA TYR A 97 26.008 -0.342 1.259 1.00 0.00 C ATOM 1298 C TYR A 97 27.522 -0.485 1.366 1.00 0.00 C ATOM 1299 O TYR A 97 28.086 -0.443 2.459 1.00 0.00 O ATOM 1300 CB TYR A 97 25.639 1.063 0.790 1.00 0.00 C ATOM 1301 CG TYR A 97 24.378 1.100 -0.035 1.00 0.00 C ATOM 1302 CD1 TYR A 97 23.204 0.528 0.437 1.00 0.00 C ATOM 1303 CD2 TYR A 97 24.362 1.697 -1.286 1.00 0.00 C ATOM 1304 CE1 TYR A 97 22.048 0.555 -0.313 1.00 0.00 C ATOM 1305 CE2 TYR A 97 23.209 1.729 -2.044 1.00 0.00 C ATOM 1306 CZ TYR A 97 22.054 1.159 -1.552 1.00 0.00 C ATOM 1307 OH TYR A 97 20.906 1.184 -2.306 1.00 0.00 O ATOM 0 H TYR A 97 25.217 0.188 3.124 1.00 0.00 H new ATOM 0 HA TYR A 97 25.659 -1.070 0.526 1.00 0.00 H new ATOM 0 HB2 TYR A 97 25.516 1.709 1.659 1.00 0.00 H new ATOM 0 HB3 TYR A 97 26.462 1.471 0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 97 23.197 0.054 1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 97 25.266 2.144 -1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 97 21.143 0.106 0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 97 23.212 2.198 -3.017 1.00 0.00 H new ATOM 0 HH TYR A 97 21.046 0.674 -3.131 1.00 0.00 H new ATOM 1317 N SER A 98 28.173 -0.674 0.223 1.00 0.00 N ATOM 1318 CA SER A 98 29.623 -0.833 0.187 1.00 0.00 C ATOM 1319 C SER A 98 30.191 -0.356 -1.146 1.00 0.00 C ATOM 1320 O SER A 98 29.620 -0.614 -2.203 1.00 0.00 O ATOM 1321 CB SER A 98 30.001 -2.296 0.422 1.00 0.00 C ATOM 1322 OG SER A 98 29.519 -2.754 1.673 1.00 0.00 O ATOM 0 H SER A 98 27.720 -0.721 -0.690 1.00 0.00 H new ATOM 0 HA SER A 98 30.051 -0.222 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 98 29.591 -2.913 -0.377 1.00 0.00 H new ATOM 0 HB3 SER A 98 31.085 -2.405 0.385 1.00 0.00 H new ATOM 0 HG SER A 98 29.773 -3.692 1.798 1.00 0.00 H new ATOM 1328 N CYS A 99 31.323 0.336 -1.087 1.00 0.00 N ATOM 1329 CA CYS A 99 31.963 0.868 -2.286 1.00 0.00 C ATOM 1330 C CYS A 99 32.624 -0.238 -3.105 1.00 0.00 C ATOM 1331 O CYS A 99 32.966 -1.296 -2.576 1.00 0.00 O ATOM 1332 CB CYS A 99 32.993 1.924 -1.898 1.00 0.00 C ATOM 1333 SG CYS A 99 32.281 3.327 -0.979 1.00 0.00 S ATOM 0 H CYS A 99 31.818 0.543 -0.220 1.00 0.00 H new ATOM 0 HA CYS A 99 31.192 1.324 -2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 99 33.769 1.458 -1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 99 33.476 2.298 -2.801 1.00 0.00 H new ATOM 1338 N ASN A 100 32.799 0.014 -4.402 1.00 0.00 N ATOM 1339 CA ASN A 100 33.406 -0.963 -5.298 1.00 0.00 C ATOM 1340 C ASN A 100 34.918 -0.771 -5.386 1.00 0.00 C ATOM 1341 O ASN A 100 35.687 -1.584 -4.873 1.00 0.00 O ATOM 1342 CB ASN A 100 32.787 -0.858 -6.694 1.00 0.00 C ATOM 1343 CG ASN A 100 31.273 -0.824 -6.661 1.00 0.00 C ATOM 1344 OD1 ASN A 100 30.636 -1.647 -6.005 1.00 0.00 O ATOM 1345 ND2 ASN A 100 30.689 0.126 -7.380 1.00 0.00 N ATOM 0 H ASN A 100 32.528 0.888 -4.853 1.00 0.00 H new ATOM 0 HA ASN A 100 33.211 -1.955 -4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 100 33.156 0.043 -7.184 1.00 0.00 H new ATOM 0 HB3 ASN A 100 33.114 -1.705 -7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 100 29.672 0.195 -7.404 1.00 0.00 H new ATOM 0 HD22 ASN A 100 31.257 0.787 -7.909 1.00 0.00 H new ATOM 1352 N SER A 101 35.341 0.298 -6.056 1.00 0.00 N ATOM 1353 CA SER A 101 36.761 0.587 -6.216 1.00 0.00 C ATOM 1354 C SER A 101 37.468 0.612 -4.866 1.00 0.00 C ATOM 1355 O SER A 101 38.680 0.413 -4.785 1.00 0.00 O ATOM 1356 CB SER A 101 36.953 1.927 -6.930 1.00 0.00 C ATOM 1357 OG SER A 101 38.230 2.004 -7.538 1.00 0.00 O ATOM 0 H SER A 101 34.720 0.977 -6.496 1.00 0.00 H new ATOM 0 HA SER A 101 37.201 -0.206 -6.821 1.00 0.00 H new ATOM 0 HB2 SER A 101 36.179 2.053 -7.687 1.00 0.00 H new ATOM 0 HB3 SER A 101 36.837 2.743 -6.216 1.00 0.00 H new ATOM 0 HG SER A 101 38.326 2.869 -7.988 1.00 0.00 H new ATOM 1363 N GLY A 102 36.703 0.858 -3.807 1.00 0.00 N ATOM 1364 CA GLY A 102 37.275 0.904 -2.477 1.00 0.00 C ATOM 1365 C GLY A 102 37.072 2.246 -1.803 1.00 0.00 C ATOM 1366 O GLY A 102 37.884 2.660 -0.976 1.00 0.00 O ATOM 0 H GLY A 102 35.698 1.026 -3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 102 36.826 0.122 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 102 38.342 0.689 -2.536 1.00 0.00 H new ATOM 1370 N TYR A 103 35.989 2.933 -2.160 1.00 0.00 N ATOM 1371 CA TYR A 103 35.680 4.221 -1.572 1.00 0.00 C ATOM 1372 C TYR A 103 35.171 4.045 -0.149 1.00 0.00 C ATOM 1373 O TYR A 103 35.140 2.934 0.381 1.00 0.00 O ATOM 1374 CB TYR A 103 34.619 4.933 -2.418 1.00 0.00 C ATOM 1375 CG TYR A 103 35.185 5.707 -3.588 1.00 0.00 C ATOM 1376 CD1 TYR A 103 35.620 7.018 -3.433 1.00 0.00 C ATOM 1377 CD2 TYR A 103 35.273 5.131 -4.849 1.00 0.00 C ATOM 1378 CE1 TYR A 103 36.132 7.730 -4.501 1.00 0.00 C ATOM 1379 CE2 TYR A 103 35.786 5.837 -5.922 1.00 0.00 C ATOM 1380 CZ TYR A 103 36.214 7.135 -5.742 1.00 0.00 C ATOM 1381 OH TYR A 103 36.725 7.841 -6.807 1.00 0.00 O ATOM 0 H TYR A 103 35.314 2.613 -2.855 1.00 0.00 H new ATOM 0 HA TYR A 103 36.588 4.823 -1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 103 33.911 4.194 -2.793 1.00 0.00 H new ATOM 0 HB3 TYR A 103 34.058 5.616 -1.780 1.00 0.00 H new ATOM 0 HD1 TYR A 103 35.557 7.488 -2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 103 34.935 4.115 -4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 103 36.466 8.748 -4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 103 35.851 5.374 -6.896 1.00 0.00 H new ATOM 0 HH TYR A 103 36.714 7.277 -7.609 1.00 0.00 H new ATOM 1391 N SER A 104 34.755 5.145 0.455 1.00 0.00 N ATOM 1392 CA SER A 104 34.177 5.118 1.790 1.00 0.00 C ATOM 1393 C SER A 104 32.795 5.739 1.743 1.00 0.00 C ATOM 1394 O SER A 104 32.658 6.962 1.700 1.00 0.00 O ATOM 1395 CB SER A 104 35.056 5.875 2.781 1.00 0.00 C ATOM 1396 OG SER A 104 36.399 5.934 2.334 1.00 0.00 O ATOM 0 H SER A 104 34.807 6.075 0.039 1.00 0.00 H new ATOM 0 HA SER A 104 34.108 4.083 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 104 34.670 6.885 2.915 1.00 0.00 H new ATOM 0 HB3 SER A 104 35.015 5.386 3.754 1.00 0.00 H new ATOM 0 HG SER A 104 36.940 6.426 2.987 1.00 0.00 H new ATOM 1402 N LEU A 105 31.771 4.901 1.688 1.00 0.00 N ATOM 1403 CA LEU A 105 30.427 5.387 1.539 1.00 0.00 C ATOM 1404 C LEU A 105 30.077 6.429 2.567 1.00 0.00 C ATOM 1405 O LEU A 105 30.666 6.513 3.645 1.00 0.00 O ATOM 1406 CB LEU A 105 29.423 4.257 1.531 1.00 0.00 C ATOM 1407 CG LEU A 105 29.354 3.446 2.808 1.00 0.00 C ATOM 1408 CD1 LEU A 105 30.028 2.110 2.587 1.00 0.00 C ATOM 1409 CD2 LEU A 105 27.909 3.278 3.238 1.00 0.00 C ATOM 0 H LEU A 105 31.855 3.886 1.745 1.00 0.00 H new ATOM 0 HA LEU A 105 30.379 5.877 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 105 28.435 4.671 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 105 29.662 3.586 0.706 1.00 0.00 H new ATOM 0 HG LEU A 105 29.878 3.967 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.981 1.523 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.519 1.574 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 105 31.071 2.270 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 105 27.869 2.694 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 105 27.465 4.258 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 105 27.354 2.761 2.455 1.00 0.00 H new ATOM 1421 N ILE A 106 29.153 7.266 2.159 1.00 0.00 N ATOM 1422 CA ILE A 106 28.734 8.410 2.937 1.00 0.00 C ATOM 1423 C ILE A 106 27.260 8.323 3.288 1.00 0.00 C ATOM 1424 O ILE A 106 26.475 7.765 2.539 1.00 0.00 O ATOM 1425 CB ILE A 106 29.002 9.688 2.133 1.00 0.00 C ATOM 1426 CG1 ILE A 106 30.499 9.833 1.899 1.00 0.00 C ATOM 1427 CG2 ILE A 106 28.447 10.916 2.840 1.00 0.00 C ATOM 1428 CD1 ILE A 106 31.295 10.021 3.170 1.00 0.00 C ATOM 0 H ILE A 106 28.665 7.172 1.268 1.00 0.00 H new ATOM 0 HA ILE A 106 29.301 8.427 3.868 1.00 0.00 H new ATOM 0 HB ILE A 106 28.492 9.609 1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 106 30.864 8.947 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 106 30.675 10.684 1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 106 28.654 11.804 2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 106 27.370 10.807 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 106 28.919 11.017 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 106 32.353 10.117 2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 106 30.957 10.923 3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 106 31.150 9.159 3.821 1.00 0.00 H new ATOM 1440 N GLY A 107 26.888 8.897 4.418 1.00 0.00 N ATOM 1441 CA GLY A 107 25.501 8.840 4.839 1.00 0.00 C ATOM 1442 C GLY A 107 25.117 7.459 5.315 1.00 0.00 C ATOM 1443 O GLY A 107 24.001 6.997 5.088 1.00 0.00 O ATOM 0 H GLY A 107 27.513 9.398 5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 107 25.334 9.560 5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 107 24.857 9.131 4.009 1.00 0.00 H new ATOM 1447 N ASN A 108 26.089 6.808 5.925 1.00 0.00 N ATOM 1448 CA ASN A 108 25.961 5.457 6.474 1.00 0.00 C ATOM 1449 C ASN A 108 25.457 4.444 5.452 1.00 0.00 C ATOM 1450 O ASN A 108 24.652 4.752 4.575 1.00 0.00 O ATOM 1451 CB ASN A 108 25.077 5.453 7.720 1.00 0.00 C ATOM 1452 CG ASN A 108 23.653 5.889 7.447 1.00 0.00 C ATOM 1453 OD1 ASN A 108 23.409 7.191 7.535 1.00 0.00 O flip ATOM 1454 ND2 ASN A 108 22.783 5.068 7.155 1.00 0.00 N flip ATOM 0 H ASN A 108 27.017 7.209 6.060 1.00 0.00 H new ATOM 0 HA ASN A 108 26.967 5.144 6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 108 25.067 4.450 8.146 1.00 0.00 H new ATOM 0 HB3 ASN A 108 25.514 6.113 8.469 1.00 0.00 H new ATOM 0 HD21 ASN A 108 23.016 4.076 7.099 1.00 0.00 H new ATOM 0 HD22 ASN A 108 21.830 5.379 6.969 1.00 0.00 H new ATOM 1461 N SER A 109 25.956 3.222 5.588 1.00 0.00 N ATOM 1462 CA SER A 109 25.613 2.129 4.690 1.00 0.00 C ATOM 1463 C SER A 109 24.187 1.642 4.912 1.00 0.00 C ATOM 1464 O SER A 109 23.573 1.058 4.020 1.00 0.00 O ATOM 1465 CB SER A 109 26.595 0.982 4.895 1.00 0.00 C ATOM 1466 OG SER A 109 27.765 1.422 5.562 1.00 0.00 O ATOM 0 H SER A 109 26.611 2.961 6.325 1.00 0.00 H new ATOM 0 HA SER A 109 25.677 2.496 3.666 1.00 0.00 H new ATOM 0 HB2 SER A 109 26.119 0.191 5.474 1.00 0.00 H new ATOM 0 HB3 SER A 109 26.863 0.553 3.930 1.00 0.00 H new ATOM 0 HG SER A 109 28.556 1.117 5.070 1.00 0.00 H new ATOM 1472 N GLY A 110 23.668 1.886 6.104 1.00 0.00 N ATOM 1473 CA GLY A 110 22.323 1.451 6.431 1.00 0.00 C ATOM 1474 C GLY A 110 21.263 2.090 5.553 1.00 0.00 C ATOM 1475 O GLY A 110 21.214 3.312 5.413 1.00 0.00 O ATOM 0 H GLY A 110 24.153 2.378 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 110 22.264 0.367 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 110 22.114 1.688 7.474 1.00 0.00 H new ATOM 1479 N VAL A 111 20.408 1.257 4.965 1.00 0.00 N ATOM 1480 CA VAL A 111 19.316 1.737 4.122 1.00 0.00 C ATOM 1481 C VAL A 111 18.000 1.116 4.566 1.00 0.00 C ATOM 1482 O VAL A 111 17.886 -0.104 4.659 1.00 0.00 O ATOM 1483 CB VAL A 111 19.541 1.410 2.637 1.00 0.00 C ATOM 1484 CG1 VAL A 111 18.697 2.321 1.757 1.00 0.00 C ATOM 1485 CG2 VAL A 111 21.014 1.516 2.274 1.00 0.00 C ATOM 0 H VAL A 111 20.451 0.242 5.057 1.00 0.00 H new ATOM 0 HA VAL A 111 19.283 2.821 4.233 1.00 0.00 H new ATOM 0 HB VAL A 111 19.228 0.381 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 111 18.869 2.076 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 111 17.642 2.181 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 111 18.975 3.360 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 111 21.146 1.280 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.364 2.530 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 111 21.589 0.814 2.878 1.00 0.00 H new ATOM 1495 N LEU A 112 17.013 1.954 4.851 1.00 0.00 N ATOM 1496 CA LEU A 112 15.719 1.464 5.311 1.00 0.00 C ATOM 1497 C LEU A 112 14.811 1.107 4.142 1.00 0.00 C ATOM 1498 O LEU A 112 14.693 1.865 3.179 1.00 0.00 O ATOM 1499 CB LEU A 112 15.035 2.512 6.195 1.00 0.00 C ATOM 1500 CG LEU A 112 13.571 2.230 6.536 1.00 0.00 C ATOM 1501 CD1 LEU A 112 12.686 2.667 5.390 1.00 0.00 C ATOM 1502 CD2 LEU A 112 13.355 0.758 6.859 1.00 0.00 C ATOM 0 H LEU A 112 17.081 2.969 4.773 1.00 0.00 H new ATOM 0 HA LEU A 112 15.898 0.560 5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.596 2.600 7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.094 3.479 5.695 1.00 0.00 H new ATOM 0 HG LEU A 112 13.305 2.801 7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.644 2.464 5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.817 3.735 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.959 2.117 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.305 0.588 7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.634 0.152 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.971 0.479 7.714 1.00 0.00 H new ATOM 1514 N CYS A 113 14.149 -0.040 4.247 1.00 0.00 N ATOM 1515 CA CYS A 113 13.211 -0.477 3.225 1.00 0.00 C ATOM 1516 C CYS A 113 11.781 -0.361 3.738 1.00 0.00 C ATOM 1517 O CYS A 113 11.340 -1.180 4.551 1.00 0.00 O ATOM 1518 CB CYS A 113 13.475 -1.925 2.823 1.00 0.00 C ATOM 1519 SG CYS A 113 12.257 -2.599 1.646 1.00 0.00 S ATOM 0 H CYS A 113 14.246 -0.684 5.032 1.00 0.00 H new ATOM 0 HA CYS A 113 13.346 0.165 2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.469 -1.994 2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 113 13.481 -2.545 3.719 1.00 0.00 H new ATOM 1524 N SER A 114 11.063 0.652 3.267 1.00 0.00 N ATOM 1525 CA SER A 114 9.682 0.863 3.683 1.00 0.00 C ATOM 1526 C SER A 114 8.964 1.834 2.752 1.00 0.00 C ATOM 1527 O SER A 114 9.406 2.967 2.556 1.00 0.00 O ATOM 1528 CB SER A 114 9.632 1.384 5.118 1.00 0.00 C ATOM 1529 OG SER A 114 10.707 0.873 5.885 1.00 0.00 O ATOM 0 H SER A 114 11.413 1.338 2.599 1.00 0.00 H new ATOM 0 HA SER A 114 9.170 -0.098 3.633 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.670 2.473 5.114 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.686 1.100 5.578 1.00 0.00 H new ATOM 0 HG SER A 114 10.800 -0.088 5.719 1.00 0.00 H new ATOM 1535 N GLY A 115 7.845 1.384 2.192 1.00 0.00 N ATOM 1536 CA GLY A 115 7.076 2.222 1.291 1.00 0.00 C ATOM 1537 C GLY A 115 7.404 1.958 -0.165 1.00 0.00 C ATOM 1538 O GLY A 115 7.246 2.835 -1.013 1.00 0.00 O ATOM 0 H GLY A 115 7.457 0.453 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.013 2.050 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.269 3.270 1.520 1.00 0.00 H new ATOM 1542 N GLY A 116 7.863 0.745 -0.454 1.00 0.00 N ATOM 1543 CA GLY A 116 8.218 0.394 -1.815 1.00 0.00 C ATOM 1544 C GLY A 116 9.447 1.136 -2.307 1.00 0.00 C ATOM 1545 O GLY A 116 9.736 1.144 -3.504 1.00 0.00 O ATOM 0 H GLY A 116 7.995 -0.000 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.398 -0.679 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.378 0.613 -2.474 1.00 0.00 H new ATOM 1549 N GLU A 117 10.174 1.761 -1.384 1.00 0.00 N ATOM 1550 CA GLU A 117 11.379 2.502 -1.730 1.00 0.00 C ATOM 1551 C GLU A 117 12.416 2.393 -0.619 1.00 0.00 C ATOM 1552 O GLU A 117 12.134 1.871 0.459 1.00 0.00 O ATOM 1553 CB GLU A 117 11.046 3.973 -1.988 1.00 0.00 C ATOM 1554 CG GLU A 117 10.420 4.227 -3.349 1.00 0.00 C ATOM 1555 CD GLU A 117 11.365 4.929 -4.303 1.00 0.00 C ATOM 1556 OE1 GLU A 117 12.173 5.759 -3.836 1.00 0.00 O ATOM 1557 OE2 GLU A 117 11.298 4.648 -5.519 1.00 0.00 O ATOM 0 H GLU A 117 9.947 1.768 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 117 11.794 2.068 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 117 10.364 4.324 -1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 117 11.958 4.564 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.109 3.278 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 117 9.521 4.830 -3.224 1.00 0.00 H new ATOM 1564 N TRP A 118 13.615 2.895 -0.888 1.00 0.00 N ATOM 1565 CA TRP A 118 14.697 2.852 0.083 1.00 0.00 C ATOM 1566 C TRP A 118 15.027 4.248 0.589 1.00 0.00 C ATOM 1567 O TRP A 118 15.007 5.216 -0.171 1.00 0.00 O ATOM 1568 CB TRP A 118 15.931 2.217 -0.547 1.00 0.00 C ATOM 1569 CG TRP A 118 15.765 0.758 -0.822 1.00 0.00 C ATOM 1570 CD1 TRP A 118 15.284 0.189 -1.965 1.00 0.00 C ATOM 1571 CD2 TRP A 118 16.072 -0.321 0.066 1.00 0.00 C ATOM 1572 NE1 TRP A 118 15.286 -1.177 -1.847 1.00 0.00 N ATOM 1573 CE2 TRP A 118 15.762 -1.513 -0.609 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.580 -0.394 1.365 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 15.943 -2.762 -0.032 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.770 -1.637 1.936 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.443 -2.808 1.240 1.00 0.00 C ATOM 0 H TRP A 118 13.861 3.337 -1.773 1.00 0.00 H new ATOM 0 HA TRP A 118 14.376 2.249 0.933 1.00 0.00 H new ATOM 0 HB2 TRP A 118 16.161 2.732 -1.480 1.00 0.00 H new ATOM 0 HB3 TRP A 118 16.784 2.361 0.116 1.00 0.00 H new ATOM 0 HD1 TRP A 118 14.951 0.735 -2.835 1.00 0.00 H new ATOM 0 HE1 TRP A 118 14.982 -1.835 -2.565 1.00 0.00 H new ATOM 0 HE3 TRP A 118 16.820 0.505 1.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 15.698 -3.666 -0.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 17.177 -1.707 2.934 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.589 -3.766 1.717 1.00 0.00 H new ATOM 1588 N SER A 119 15.328 4.346 1.877 1.00 0.00 N ATOM 1589 CA SER A 119 15.643 5.628 2.487 1.00 0.00 C ATOM 1590 C SER A 119 17.064 5.647 3.042 1.00 0.00 C ATOM 1591 O SER A 119 17.690 4.600 3.220 1.00 0.00 O ATOM 1592 CB SER A 119 14.644 5.935 3.603 1.00 0.00 C ATOM 1593 OG SER A 119 13.499 5.107 3.505 1.00 0.00 O ATOM 0 H SER A 119 15.360 3.553 2.518 1.00 0.00 H new ATOM 0 HA SER A 119 15.573 6.394 1.714 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.121 5.788 4.572 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.345 6.982 3.550 1.00 0.00 H new ATOM 0 HG SER A 119 12.758 5.513 4.002 1.00 0.00 H new ATOM 1599 N ASP A 120 17.555 6.853 3.310 1.00 0.00 N ATOM 1600 CA ASP A 120 18.893 7.055 3.859 1.00 0.00 C ATOM 1601 C ASP A 120 19.952 6.230 3.127 1.00 0.00 C ATOM 1602 O ASP A 120 20.792 5.589 3.759 1.00 0.00 O ATOM 1603 CB ASP A 120 18.919 6.734 5.358 1.00 0.00 C ATOM 1604 CG ASP A 120 18.263 5.408 5.690 1.00 0.00 C ATOM 1605 OD1 ASP A 120 18.997 4.419 5.899 1.00 0.00 O ATOM 1606 OD2 ASP A 120 17.016 5.359 5.740 1.00 0.00 O ATOM 0 H ASP A 120 17.037 7.718 3.153 1.00 0.00 H new ATOM 0 HA ASP A 120 19.138 8.107 3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 120 19.953 6.718 5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 120 18.413 7.530 5.904 1.00 0.00 H new ATOM 1611 N PRO A 121 19.962 6.276 1.783 1.00 0.00 N ATOM 1612 CA PRO A 121 20.976 5.590 0.980 1.00 0.00 C ATOM 1613 C PRO A 121 22.280 6.385 0.969 1.00 0.00 C ATOM 1614 O PRO A 121 22.251 7.614 1.023 1.00 0.00 O ATOM 1615 CB PRO A 121 20.347 5.556 -0.408 1.00 0.00 C ATOM 1616 CG PRO A 121 19.513 6.792 -0.466 1.00 0.00 C ATOM 1617 CD PRO A 121 19.027 7.047 0.942 1.00 0.00 C ATOM 0 HA PRO A 121 21.233 4.601 1.358 1.00 0.00 H new ATOM 0 HB2 PRO A 121 21.107 5.552 -1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 121 19.741 4.661 -0.548 1.00 0.00 H new ATOM 0 HG2 PRO A 121 20.096 7.636 -0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 121 18.673 6.662 -1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 121 19.051 8.109 1.187 1.00 0.00 H new ATOM 0 HD3 PRO A 121 17.999 6.712 1.077 1.00 0.00 H new ATOM 1625 N PRO A 122 23.446 5.718 0.918 1.00 0.00 N ATOM 1626 CA PRO A 122 24.723 6.397 0.984 1.00 0.00 C ATOM 1627 C PRO A 122 25.370 6.647 -0.367 1.00 0.00 C ATOM 1628 O PRO A 122 24.820 6.321 -1.419 1.00 0.00 O ATOM 1629 CB PRO A 122 25.577 5.424 1.786 1.00 0.00 C ATOM 1630 CG PRO A 122 24.978 4.073 1.559 1.00 0.00 C ATOM 1631 CD PRO A 122 23.631 4.262 0.902 1.00 0.00 C ATOM 0 HA PRO A 122 24.612 7.392 1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 122 26.616 5.452 1.456 1.00 0.00 H new ATOM 0 HB3 PRO A 122 25.572 5.681 2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 122 25.629 3.469 0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 122 24.869 3.541 2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 122 23.620 3.867 -0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 122 22.841 3.750 1.451 1.00 0.00 H new ATOM 1639 N THR A 123 26.562 7.220 -0.302 1.00 0.00 N ATOM 1640 CA THR A 123 27.369 7.502 -1.478 1.00 0.00 C ATOM 1641 C THR A 123 28.669 6.724 -1.384 1.00 0.00 C ATOM 1642 O THR A 123 28.731 5.718 -0.682 1.00 0.00 O ATOM 1643 CB THR A 123 27.655 9.003 -1.567 1.00 0.00 C ATOM 1644 OG1 THR A 123 26.781 9.728 -0.719 1.00 0.00 O ATOM 1645 CG2 THR A 123 27.511 9.563 -2.962 1.00 0.00 C ATOM 0 H THR A 123 26.999 7.504 0.575 1.00 0.00 H new ATOM 0 HA THR A 123 26.830 7.199 -2.376 1.00 0.00 H new ATOM 0 HB THR A 123 28.694 9.117 -1.258 1.00 0.00 H new ATOM 0 HG1 THR A 123 26.979 10.685 -0.787 1.00 0.00 H new ATOM 0 HG21 THR A 123 27.728 10.631 -2.950 1.00 0.00 H new ATOM 0 HG22 THR A 123 28.209 9.058 -3.630 1.00 0.00 H new ATOM 0 HG23 THR A 123 26.492 9.404 -3.314 1.00 0.00 H new ATOM 1653 N CYS A 124 29.706 7.194 -2.069 1.00 0.00 N ATOM 1654 CA CYS A 124 31.010 6.551 -1.997 1.00 0.00 C ATOM 1655 C CYS A 124 32.122 7.554 -2.264 1.00 0.00 C ATOM 1656 O CYS A 124 32.541 7.749 -3.405 1.00 0.00 O ATOM 1657 CB CYS A 124 31.106 5.380 -2.973 1.00 0.00 C ATOM 1658 SG CYS A 124 30.557 3.791 -2.270 1.00 0.00 S ATOM 0 H CYS A 124 29.668 8.013 -2.676 1.00 0.00 H new ATOM 0 HA CYS A 124 31.129 6.160 -0.987 1.00 0.00 H new ATOM 0 HB2 CYS A 124 30.505 5.604 -3.855 1.00 0.00 H new ATOM 0 HB3 CYS A 124 32.139 5.281 -3.307 1.00 0.00 H new ATOM 1663 N GLN A 125 32.587 8.194 -1.199 1.00 0.00 N ATOM 1664 CA GLN A 125 33.642 9.185 -1.298 1.00 0.00 C ATOM 1665 C GLN A 125 34.835 8.787 -0.440 1.00 0.00 C ATOM 1666 O GLN A 125 34.711 7.977 0.479 1.00 0.00 O ATOM 1667 CB GLN A 125 33.117 10.551 -0.857 1.00 0.00 C ATOM 1668 CG GLN A 125 32.440 11.331 -1.971 1.00 0.00 C ATOM 1669 CD GLN A 125 31.304 12.199 -1.468 1.00 0.00 C ATOM 1670 OE1 GLN A 125 31.529 13.223 -0.821 1.00 0.00 O ATOM 1671 NE2 GLN A 125 30.074 11.794 -1.762 1.00 0.00 N ATOM 0 H GLN A 125 32.244 8.040 -0.251 1.00 0.00 H new ATOM 0 HA GLN A 125 33.966 9.242 -2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 125 32.409 10.412 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 125 33.946 11.140 -0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 125 33.178 11.959 -2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 125 32.057 10.634 -2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 125 29.934 10.939 -2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 125 29.270 12.338 -1.449 1.00 0.00 H new ATOM 1680 N ILE A 126 35.989 9.362 -0.745 1.00 0.00 N ATOM 1681 CA ILE A 126 37.209 9.068 -0.005 1.00 0.00 C ATOM 1682 C ILE A 126 37.321 9.945 1.237 1.00 0.00 C ATOM 1683 O ILE A 126 38.238 10.758 1.357 1.00 0.00 O ATOM 1684 CB ILE A 126 38.458 9.267 -0.882 1.00 0.00 C ATOM 1685 CG1 ILE A 126 38.348 8.422 -2.153 1.00 0.00 C ATOM 1686 CG2 ILE A 126 39.716 8.909 -0.107 1.00 0.00 C ATOM 1687 CD1 ILE A 126 38.544 6.940 -1.917 1.00 0.00 C ATOM 0 H ILE A 126 36.107 10.036 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 126 37.154 8.023 0.298 1.00 0.00 H new ATOM 0 HB ILE A 126 38.522 10.317 -1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 126 37.368 8.583 -2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 126 39.089 8.767 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 126 40.589 9.056 -0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 126 39.796 9.548 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 126 39.666 7.866 0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 126 38.452 6.406 -2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 126 39.535 6.766 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 126 37.787 6.579 -1.221 1.00 0.00 H new TER 1699 ILE A 126