USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 691 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 62 THR OG1 : rot -85:sc= 2.32 USER MOD Set 1.2: A 81 CYS SG : rot -102:sc= -3.37! USER MOD Set 1.3: A 95 CYS SG : rot 134:sc= 0.821 USER MOD Set 2.1: A 48 ASN :FLIP amide:sc= 1.06 F(o=-5.8,f=-3.1) USER MOD Set 2.2: A 73 ASN :FLIP amide:sc= -4.11! C(o=-3.9!,f=-3.1!) USER MOD Set 3.1: A 56 ASN : amide:sc= -2.64 K(o=-6.3,f=-11!) USER MOD Set 3.2: A 65 CYS SG : rot -92:sc= -3.63! USER MOD Set 4.1: A 32 CYS SG : rot 180:sc= -0.0113 USER MOD Set 4.2: A 44 CYS SG : rot -40:sc= -10.5! USER MOD Set 4.3: A 55 ASN : amide:sc= -0.758 X(o=-11,f=-12) USER MOD Set 5.1: A 20 CYS SG : rot 18:sc= 0.0569 USER MOD Set 5.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -133:sc= 0.999 (180deg=0.323) USER MOD Single : A 6 HIS : no HD1:sc= -3.34! X(o=-3.3!,f=-3.8) USER MOD Single : A 8 CYS SG : rot 27:sc= -0.123 USER MOD Single : A 11 THR OG1 : rot 18:sc= 0.798 USER MOD Single : A 16 LYS NZ :NH3+ 153:sc= 1.13 (180deg=0.969) USER MOD Single : A 17 ASN : amide:sc= 0.238 K(o=0.24,f=-0.48) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= 1.03 (180deg=0.731) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.0422 (180deg=-0.282) USER MOD Single : A 42 ASN : amide:sc= -0.725 X(o=-0.72,f=-0.42) USER MOD Single : A 43 THR OG1 : rot 60:sc= -1.79! USER MOD Single : A 47 ASN : amide:sc= -1.95! C(o=-1.9!,f=-2.9!) USER MOD Single : A 49 ASN : amide:sc= 0.0164 X(o=0.016,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 70:sc= -2.36! USER MOD Single : A 59 CYS SG : rot -170:sc= -5.23! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.329 F(o=-1.3!,f=-0.33) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.89 F(o=-2.9!,f=-0.89) USER MOD Single : A 70 SER OG : rot -179:sc= 0.258 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -141:sc= -0.157 (180deg=-0.518) USER MOD Single : A 76 LYS NZ :NH3+ -128:sc= 1.19 (180deg=-0.111) USER MOD Single : A 79 CYS SG : rot 123:sc= -3.72! USER MOD Single : A 80 THR OG1 : rot 92:sc= 0.125 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -24:sc= 0.957 USER MOD Single : A 87 ASN : amide:sc= -1.8! C(o=-1.8!,f=-3.5!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 133:sc= 1.88 USER MOD Single : A 97 SER OG : rot 60:sc= -0.0737 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= -0.164 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.346 -11.296 7.807 1.00 0.00 N ATOM 2 CA GLY A 1 -6.881 -11.673 6.473 1.00 0.00 C ATOM 3 C GLY A 1 -8.203 -10.995 6.175 1.00 0.00 C ATOM 4 O GLY A 1 -9.260 -11.624 6.237 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.441 -11.783 7.968 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.197 -10.267 7.843 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.025 -11.574 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.156 -11.406 5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.011 -12.754 6.428 1.00 0.00 H new ATOM 10 N VAL A 2 -8.144 -9.707 5.856 1.00 0.00 N ATOM 11 CA VAL A 2 -9.335 -8.929 5.560 1.00 0.00 C ATOM 12 C VAL A 2 -9.761 -9.157 4.111 1.00 0.00 C ATOM 13 O VAL A 2 -9.054 -9.809 3.343 1.00 0.00 O ATOM 14 CB VAL A 2 -9.078 -7.422 5.802 1.00 0.00 C ATOM 15 CG1 VAL A 2 -10.370 -6.617 5.819 1.00 0.00 C ATOM 16 CG2 VAL A 2 -8.327 -7.218 7.102 1.00 0.00 C ATOM 0 H VAL A 2 -7.274 -9.178 5.796 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.134 -9.256 6.225 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.473 -7.060 4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.141 -5.565 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.879 -6.725 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.017 -6.983 6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.153 -6.153 7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.916 -7.615 7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.370 -7.738 7.055 1.00 0.00 H new ATOM 26 N ASP A 3 -10.915 -8.619 3.758 1.00 0.00 N ATOM 27 CA ASP A 3 -11.472 -8.744 2.420 1.00 0.00 C ATOM 28 C ASP A 3 -11.348 -7.432 1.657 1.00 0.00 C ATOM 29 O ASP A 3 -12.201 -6.574 1.750 1.00 0.00 O ATOM 30 CB ASP A 3 -12.947 -9.164 2.492 1.00 0.00 C ATOM 31 CG ASP A 3 -13.763 -8.338 3.474 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.488 -8.410 4.690 1.00 0.00 O ATOM 33 OD2 ASP A 3 -14.691 -7.628 3.042 1.00 0.00 O ATOM 0 H ASP A 3 -11.498 -8.078 4.397 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.907 -9.511 1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.390 -9.078 1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.004 -10.215 2.777 1.00 0.00 H new ATOM 38 N PRO A 4 -10.282 -7.312 0.860 1.00 0.00 N ATOM 39 CA PRO A 4 -9.944 -6.156 0.014 1.00 0.00 C ATOM 40 C PRO A 4 -11.082 -5.377 -0.655 1.00 0.00 C ATOM 41 O PRO A 4 -10.859 -4.231 -0.991 1.00 0.00 O ATOM 42 CB PRO A 4 -9.141 -6.846 -1.083 1.00 0.00 C ATOM 43 CG PRO A 4 -8.414 -7.937 -0.409 1.00 0.00 C ATOM 44 CD PRO A 4 -9.194 -8.294 0.819 1.00 0.00 C ATOM 0 HA PRO A 4 -9.474 -5.387 0.627 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.795 -7.234 -1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.451 -6.151 -1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.317 -8.800 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.404 -7.622 -0.146 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.580 -9.312 0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.574 -8.237 1.714 1.00 0.00 H new ATOM 52 N LYS A 5 -12.266 -5.963 -0.842 1.00 0.00 N ATOM 53 CA LYS A 5 -13.396 -5.342 -1.602 1.00 0.00 C ATOM 54 C LYS A 5 -13.781 -3.891 -1.192 1.00 0.00 C ATOM 55 O LYS A 5 -14.778 -3.345 -1.657 1.00 0.00 O ATOM 56 CB LYS A 5 -14.606 -6.256 -1.545 1.00 0.00 C ATOM 57 CG LYS A 5 -14.943 -6.681 -0.156 1.00 0.00 C ATOM 58 CD LYS A 5 -14.988 -8.185 -0.084 1.00 0.00 C ATOM 59 CE LYS A 5 -16.364 -8.692 0.315 1.00 0.00 C ATOM 60 NZ LYS A 5 -16.824 -8.103 1.599 1.00 0.00 N ATOM 0 H LYS A 5 -12.487 -6.889 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.030 -5.235 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.463 -5.744 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.418 -7.139 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.201 -6.296 0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.906 -6.264 0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.714 -8.603 -1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.249 -8.536 0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.080 -8.453 -0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.339 -9.778 0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.197 -8.856 2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.025 -7.635 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.572 -7.405 1.413 1.00 0.00 H new ATOM 74 N HIS A 6 -12.973 -3.304 -0.340 1.00 0.00 N ATOM 75 CA HIS A 6 -13.126 -1.962 0.227 1.00 0.00 C ATOM 76 C HIS A 6 -12.918 -0.847 -0.798 1.00 0.00 C ATOM 77 O HIS A 6 -12.469 0.224 -0.433 1.00 0.00 O ATOM 78 CB HIS A 6 -12.037 -1.768 1.277 1.00 0.00 C ATOM 79 CG HIS A 6 -11.971 -2.779 2.359 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.195 -2.617 3.480 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.523 -3.994 2.460 1.00 0.00 C ATOM 82 CE1 HIS A 6 -11.273 -3.699 4.217 1.00 0.00 C ATOM 83 NE2 HIS A 6 -12.083 -4.549 3.632 1.00 0.00 N ATOM 0 H HIS A 6 -12.134 -3.771 0.005 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.141 -1.899 0.619 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.073 -1.750 0.769 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.175 -0.788 1.734 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.193 -4.453 1.748 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.756 -3.863 5.151 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.342 -5.469 3.990 1.00 0.00 H new ATOM 92 N VAL A 7 -13.194 -1.091 -2.060 1.00 0.00 N ATOM 93 CA VAL A 7 -12.828 -0.124 -3.121 1.00 0.00 C ATOM 94 C VAL A 7 -13.281 1.314 -2.851 1.00 0.00 C ATOM 95 O VAL A 7 -14.145 1.585 -2.017 1.00 0.00 O ATOM 96 CB VAL A 7 -13.334 -0.534 -4.500 1.00 0.00 C ATOM 97 CG1 VAL A 7 -12.687 -1.828 -4.910 1.00 0.00 C ATOM 98 CG2 VAL A 7 -14.847 -0.623 -4.525 1.00 0.00 C ATOM 0 H VAL A 7 -13.664 -1.933 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.738 -0.146 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.056 0.232 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -13.050 -2.120 -5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.605 -1.699 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.937 -2.605 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -15.178 -0.917 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.180 -1.364 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.273 0.348 -4.274 1.00 0.00 H new ATOM 108 N CYS A 8 -12.724 2.217 -3.639 1.00 0.00 N ATOM 109 CA CYS A 8 -12.717 3.637 -3.321 1.00 0.00 C ATOM 110 C CYS A 8 -13.384 4.464 -4.407 1.00 0.00 C ATOM 111 O CYS A 8 -13.667 3.969 -5.496 1.00 0.00 O ATOM 112 CB CYS A 8 -11.272 4.091 -3.113 1.00 0.00 C ATOM 113 SG CYS A 8 -10.148 3.617 -4.447 1.00 0.00 S ATOM 0 H CYS A 8 -12.263 1.987 -4.519 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.291 3.791 -2.408 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.255 5.176 -3.007 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.903 3.673 -2.176 1.00 0.00 H new ATOM 0 HG CYS A 8 -10.818 3.485 -5.553 1.00 0.00 H new ATOM 119 N VAL A 9 -13.635 5.732 -4.088 1.00 0.00 N ATOM 120 CA VAL A 9 -14.361 6.620 -4.980 1.00 0.00 C ATOM 121 C VAL A 9 -13.588 7.914 -5.220 1.00 0.00 C ATOM 122 O VAL A 9 -13.166 8.210 -6.334 1.00 0.00 O ATOM 123 CB VAL A 9 -15.745 6.986 -4.397 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.543 7.824 -5.384 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.519 5.739 -3.996 1.00 0.00 C ATOM 0 H VAL A 9 -13.342 6.165 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.486 6.085 -5.922 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.582 7.581 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.513 8.069 -4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.000 8.744 -5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.688 7.260 -6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.488 6.027 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.666 5.105 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.958 5.190 -3.240 1.00 0.00 H new ATOM 135 N ASP A 10 -13.413 8.673 -4.152 1.00 0.00 N ATOM 136 CA ASP A 10 -12.815 9.995 -4.205 1.00 0.00 C ATOM 137 C ASP A 10 -11.296 9.929 -4.124 1.00 0.00 C ATOM 138 O ASP A 10 -10.612 10.272 -5.085 1.00 0.00 O ATOM 139 CB ASP A 10 -13.375 10.855 -3.066 1.00 0.00 C ATOM 140 CG ASP A 10 -14.022 10.034 -1.962 1.00 0.00 C ATOM 141 OD1 ASP A 10 -13.464 8.972 -1.599 1.00 0.00 O ATOM 142 OD2 ASP A 10 -15.073 10.452 -1.441 1.00 0.00 O ATOM 0 H ASP A 10 -13.686 8.385 -3.212 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.069 10.447 -5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.569 11.454 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -14.110 11.551 -3.471 1.00 0.00 H new ATOM 147 N THR A 11 -10.773 9.491 -2.980 1.00 0.00 N ATOM 148 CA THR A 11 -9.318 9.357 -2.773 1.00 0.00 C ATOM 149 C THR A 11 -8.557 10.632 -3.146 1.00 0.00 C ATOM 150 O THR A 11 -7.480 10.587 -3.746 1.00 0.00 O ATOM 151 CB THR A 11 -8.746 8.135 -3.527 1.00 0.00 C ATOM 152 OG1 THR A 11 -9.042 8.198 -4.930 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.324 6.859 -2.936 1.00 0.00 C ATOM 0 H THR A 11 -11.334 9.219 -2.172 1.00 0.00 H new ATOM 0 HA THR A 11 -9.172 9.194 -1.705 1.00 0.00 H new ATOM 0 HB THR A 11 -7.662 8.140 -3.413 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.294 9.114 -5.170 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.921 5.997 -3.467 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.057 6.793 -1.881 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.409 6.871 -3.035 1.00 0.00 H new ATOM 161 N ARG A 12 -9.126 11.769 -2.765 1.00 0.00 N ATOM 162 CA ARG A 12 -8.498 13.067 -2.982 1.00 0.00 C ATOM 163 C ARG A 12 -7.501 13.340 -1.865 1.00 0.00 C ATOM 164 O ARG A 12 -6.545 14.098 -2.020 1.00 0.00 O ATOM 165 CB ARG A 12 -9.563 14.158 -3.011 1.00 0.00 C ATOM 166 CG ARG A 12 -10.602 13.951 -4.089 1.00 0.00 C ATOM 167 CD ARG A 12 -11.844 14.777 -3.815 1.00 0.00 C ATOM 168 NE ARG A 12 -12.928 14.446 -4.734 1.00 0.00 N ATOM 169 CZ ARG A 12 -14.208 14.348 -4.380 1.00 0.00 C ATOM 170 NH1 ARG A 12 -14.590 14.619 -3.133 1.00 0.00 N ATOM 171 NH2 ARG A 12 -15.115 14.003 -5.281 1.00 0.00 N ATOM 0 H ARG A 12 -10.032 11.818 -2.299 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.974 13.062 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.059 14.198 -2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.080 15.123 -3.162 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.185 14.226 -5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.868 12.895 -4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.173 14.610 -2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.603 15.836 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.690 14.279 -5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.899 14.905 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.573 14.541 -2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.832 13.813 -6.243 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.096 13.927 -5.014 1.00 0.00 H new ATOM 185 N ASP A 13 -7.737 12.681 -0.738 1.00 0.00 N ATOM 186 CA ASP A 13 -6.888 12.788 0.447 1.00 0.00 C ATOM 187 C ASP A 13 -5.590 12.030 0.239 1.00 0.00 C ATOM 188 O ASP A 13 -4.676 12.092 1.059 1.00 0.00 O ATOM 189 CB ASP A 13 -7.615 12.186 1.647 1.00 0.00 C ATOM 190 CG ASP A 13 -9.038 12.696 1.768 1.00 0.00 C ATOM 191 OD1 ASP A 13 -9.916 12.212 1.015 1.00 0.00 O ATOM 192 OD2 ASP A 13 -9.280 13.599 2.590 1.00 0.00 O ATOM 0 H ASP A 13 -8.530 12.051 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.668 13.841 0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.626 11.100 1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.067 12.423 2.559 1.00 0.00 H new ATOM 197 N ILE A 14 -5.533 11.313 -0.867 1.00 0.00 N ATOM 198 CA ILE A 14 -4.448 10.398 -1.154 1.00 0.00 C ATOM 199 C ILE A 14 -3.263 11.155 -1.776 1.00 0.00 C ATOM 200 O ILE A 14 -3.351 11.672 -2.893 1.00 0.00 O ATOM 201 CB ILE A 14 -4.957 9.253 -2.077 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.793 8.210 -1.292 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.795 8.560 -2.777 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.874 8.772 -0.381 1.00 0.00 C ATOM 0 H ILE A 14 -6.245 11.350 -1.597 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.094 9.947 -0.227 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.602 9.712 -2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.263 7.537 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.113 7.609 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.178 7.764 -3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.252 9.284 -3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.122 8.135 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.393 7.953 0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.418 9.420 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.586 9.347 -0.973 1.00 0.00 H new ATOM 216 N PRO A 15 -2.163 11.263 -1.010 1.00 0.00 N ATOM 217 CA PRO A 15 -0.945 12.010 -1.392 1.00 0.00 C ATOM 218 C PRO A 15 -0.210 11.433 -2.598 1.00 0.00 C ATOM 219 O PRO A 15 -0.644 10.450 -3.205 1.00 0.00 O ATOM 220 CB PRO A 15 -0.051 11.893 -0.155 1.00 0.00 C ATOM 221 CG PRO A 15 -0.959 11.500 0.951 1.00 0.00 C ATOM 222 CD PRO A 15 -2.035 10.681 0.329 1.00 0.00 C ATOM 0 HA PRO A 15 -1.202 13.028 -1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.731 11.149 -0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.446 12.839 0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.424 10.929 1.710 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.374 12.378 1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.765 9.626 0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.968 10.748 0.889 1.00 0.00 H new ATOM 230 N LYS A 16 0.915 12.060 -2.943 1.00 0.00 N ATOM 231 CA LYS A 16 1.758 11.566 -4.022 1.00 0.00 C ATOM 232 C LYS A 16 2.498 10.324 -3.574 1.00 0.00 C ATOM 233 O LYS A 16 2.710 10.109 -2.375 1.00 0.00 O ATOM 234 CB LYS A 16 2.790 12.602 -4.477 1.00 0.00 C ATOM 235 CG LYS A 16 4.032 12.624 -3.624 1.00 0.00 C ATOM 236 CD LYS A 16 5.097 13.561 -4.183 1.00 0.00 C ATOM 237 CE LYS A 16 4.546 14.942 -4.512 1.00 0.00 C ATOM 238 NZ LYS A 16 4.005 15.635 -3.312 1.00 0.00 N ATOM 0 H LYS A 16 1.259 12.907 -2.491 1.00 0.00 H new ATOM 0 HA LYS A 16 1.097 11.345 -4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.071 12.395 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.331 13.591 -4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.771 12.936 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.439 11.616 -3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.906 13.659 -3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.527 13.121 -5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.335 15.550 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.759 14.848 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.068 16.664 -3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.010 15.364 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.558 15.362 -2.475 1.00 0.00 H new ATOM 252 N ASN A 17 2.910 9.542 -4.559 1.00 0.00 N ATOM 253 CA ASN A 17 3.609 8.268 -4.349 1.00 0.00 C ATOM 254 C ASN A 17 2.824 7.338 -3.431 1.00 0.00 C ATOM 255 O ASN A 17 3.333 6.318 -2.949 1.00 0.00 O ATOM 256 CB ASN A 17 4.992 8.531 -3.778 1.00 0.00 C ATOM 257 CG ASN A 17 5.817 9.434 -4.673 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.846 9.274 -5.895 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.447 10.425 -4.072 1.00 0.00 N ATOM 0 H ASN A 17 2.770 9.771 -5.543 1.00 0.00 H new ATOM 0 HA ASN A 17 3.702 7.770 -5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.896 8.988 -2.793 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.513 7.584 -3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.984 11.096 -4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.397 10.521 -3.058 1.00 0.00 H new ATOM 266 N ALA A 18 1.583 7.704 -3.206 1.00 0.00 N ATOM 267 CA ALA A 18 0.696 6.960 -2.353 1.00 0.00 C ATOM 268 C ALA A 18 -0.421 6.366 -3.181 1.00 0.00 C ATOM 269 O ALA A 18 -0.995 7.032 -4.047 1.00 0.00 O ATOM 270 CB ALA A 18 0.131 7.865 -1.263 1.00 0.00 C ATOM 0 H ALA A 18 1.160 8.536 -3.616 1.00 0.00 H new ATOM 0 HA ALA A 18 1.250 6.153 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.539 7.290 -0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.948 8.267 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.420 8.686 -1.721 1.00 0.00 H new ATOM 276 N GLY A 19 -0.701 5.108 -2.929 1.00 0.00 N ATOM 277 CA GLY A 19 -1.787 4.442 -3.597 1.00 0.00 C ATOM 278 C GLY A 19 -3.112 4.798 -2.963 1.00 0.00 C ATOM 279 O GLY A 19 -3.153 5.252 -1.817 1.00 0.00 O ATOM 0 H GLY A 19 -0.189 4.528 -2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.797 4.722 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.638 3.363 -3.555 1.00 0.00 H new ATOM 283 N CYS A 20 -4.193 4.609 -3.685 1.00 0.00 N ATOM 284 CA CYS A 20 -5.486 4.999 -3.182 1.00 0.00 C ATOM 285 C CYS A 20 -6.293 3.780 -2.738 1.00 0.00 C ATOM 286 O CYS A 20 -6.268 2.735 -3.390 1.00 0.00 O ATOM 287 CB CYS A 20 -6.227 5.796 -4.252 1.00 0.00 C ATOM 288 SG CYS A 20 -6.406 4.931 -5.831 1.00 0.00 S ATOM 0 H CYS A 20 -4.201 4.191 -4.615 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.351 5.631 -2.304 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.218 6.053 -3.877 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.698 6.734 -4.422 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.214 3.658 -5.653 1.00 0.00 H new ATOM 294 N PHE A 21 -6.976 3.914 -1.604 1.00 0.00 N ATOM 295 CA PHE A 21 -7.767 2.827 -1.047 1.00 0.00 C ATOM 296 C PHE A 21 -8.892 3.392 -0.186 1.00 0.00 C ATOM 297 O PHE A 21 -8.804 4.504 0.305 1.00 0.00 O ATOM 298 CB PHE A 21 -6.858 1.911 -0.218 1.00 0.00 C ATOM 299 CG PHE A 21 -7.523 0.696 0.382 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.110 -0.284 -0.418 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.530 0.524 1.756 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.694 -1.404 0.159 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.111 -0.590 2.330 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.689 -1.553 1.531 1.00 0.00 C ATOM 0 H PHE A 21 -6.995 4.771 -1.052 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.212 2.246 -1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.036 1.577 -0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.420 2.498 0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.110 -0.171 -1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.074 1.272 2.388 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.151 -2.157 -0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.112 -0.706 3.404 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.139 -2.426 1.980 1.00 0.00 H new ATOM 314 N ARG A 22 -9.975 2.656 -0.086 1.00 0.00 N ATOM 315 CA ARG A 22 -11.053 2.953 0.832 1.00 0.00 C ATOM 316 C ARG A 22 -11.182 1.774 1.773 1.00 0.00 C ATOM 317 O ARG A 22 -10.770 0.684 1.424 1.00 0.00 O ATOM 318 CB ARG A 22 -12.352 3.156 0.062 1.00 0.00 C ATOM 319 CG ARG A 22 -13.474 3.746 0.884 1.00 0.00 C ATOM 320 CD ARG A 22 -14.060 4.970 0.207 1.00 0.00 C ATOM 321 NE ARG A 22 -15.352 5.343 0.789 1.00 0.00 N ATOM 322 CZ ARG A 22 -15.949 6.529 0.636 1.00 0.00 C ATOM 323 NH1 ARG A 22 -15.368 7.502 -0.060 1.00 0.00 N ATOM 324 NH2 ARG A 22 -17.139 6.742 1.188 1.00 0.00 N ATOM 0 H ARG A 22 -10.135 1.821 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.846 3.867 1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.158 3.809 -0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.677 2.196 -0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.254 2.999 1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.102 4.016 1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.365 5.805 0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.183 4.773 -0.858 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.833 4.644 1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.454 7.349 -0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.836 8.402 -0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.592 6.002 1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.599 7.645 1.075 1.00 0.00 H new ATOM 338 N ASP A 23 -11.628 1.980 2.989 1.00 0.00 N ATOM 339 CA ASP A 23 -11.928 0.844 3.846 1.00 0.00 C ATOM 340 C ASP A 23 -13.437 0.675 3.962 1.00 0.00 C ATOM 341 O ASP A 23 -14.194 1.605 3.692 1.00 0.00 O ATOM 342 CB ASP A 23 -11.290 1.023 5.229 1.00 0.00 C ATOM 343 CG ASP A 23 -11.675 -0.087 6.188 1.00 0.00 C ATOM 344 OD1 ASP A 23 -11.146 -1.207 6.045 1.00 0.00 O ATOM 345 OD2 ASP A 23 -12.542 0.148 7.059 1.00 0.00 O ATOM 0 H ASP A 23 -11.790 2.897 3.405 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.506 -0.057 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.205 1.051 5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.595 1.983 5.646 1.00 0.00 H new ATOM 350 N ASP A 24 -13.854 -0.524 4.373 1.00 0.00 N ATOM 351 CA ASP A 24 -15.264 -0.902 4.444 1.00 0.00 C ATOM 352 C ASP A 24 -16.062 0.036 5.352 1.00 0.00 C ATOM 353 O ASP A 24 -17.282 0.136 5.234 1.00 0.00 O ATOM 354 CB ASP A 24 -15.381 -2.346 4.944 1.00 0.00 C ATOM 355 CG ASP A 24 -16.817 -2.811 5.079 1.00 0.00 C ATOM 356 OD1 ASP A 24 -17.563 -2.762 4.080 1.00 0.00 O ATOM 357 OD2 ASP A 24 -17.208 -3.232 6.188 1.00 0.00 O ATOM 0 H ASP A 24 -13.217 -1.264 4.668 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.686 -0.821 3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.854 -3.007 4.256 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.885 -2.431 5.911 1.00 0.00 H new ATOM 362 N ASP A 25 -15.363 0.729 6.248 1.00 0.00 N ATOM 363 CA ASP A 25 -15.995 1.695 7.147 1.00 0.00 C ATOM 364 C ASP A 25 -16.550 2.880 6.362 1.00 0.00 C ATOM 365 O ASP A 25 -17.524 3.512 6.769 1.00 0.00 O ATOM 366 CB ASP A 25 -14.978 2.205 8.174 1.00 0.00 C ATOM 367 CG ASP A 25 -15.607 3.074 9.247 1.00 0.00 C ATOM 368 OD1 ASP A 25 -15.706 4.308 9.053 1.00 0.00 O ATOM 369 OD2 ASP A 25 -15.995 2.529 10.298 1.00 0.00 O ATOM 0 H ASP A 25 -14.354 0.640 6.372 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.814 1.192 7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.487 1.354 8.645 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -14.204 2.775 7.659 1.00 0.00 H new ATOM 374 N GLY A 26 -15.937 3.157 5.222 1.00 0.00 N ATOM 375 CA GLY A 26 -16.284 4.337 4.459 1.00 0.00 C ATOM 376 C GLY A 26 -15.154 5.339 4.471 1.00 0.00 C ATOM 377 O GLY A 26 -15.240 6.409 3.873 1.00 0.00 O ATOM 0 H GLY A 26 -15.202 2.583 4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.515 4.056 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -17.183 4.792 4.874 1.00 0.00 H new ATOM 381 N THR A 27 -14.089 4.973 5.162 1.00 0.00 N ATOM 382 CA THR A 27 -12.917 5.814 5.288 1.00 0.00 C ATOM 383 C THR A 27 -11.987 5.638 4.099 1.00 0.00 C ATOM 384 O THR A 27 -11.712 4.514 3.688 1.00 0.00 O ATOM 385 CB THR A 27 -12.157 5.479 6.582 1.00 0.00 C ATOM 386 OG1 THR A 27 -13.011 5.685 7.715 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.896 6.318 6.727 1.00 0.00 C ATOM 0 H THR A 27 -14.015 4.081 5.652 1.00 0.00 H new ATOM 0 HA THR A 27 -13.253 6.850 5.320 1.00 0.00 H new ATOM 0 HB THR A 27 -11.858 4.432 6.532 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.522 5.468 8.537 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.387 6.052 7.653 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.234 6.129 5.882 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.163 7.375 6.750 1.00 0.00 H new ATOM 395 N LYS A 28 -11.517 6.739 3.535 1.00 0.00 N ATOM 396 CA LYS A 28 -10.524 6.660 2.484 1.00 0.00 C ATOM 397 C LYS A 28 -9.153 6.619 3.104 1.00 0.00 C ATOM 398 O LYS A 28 -8.835 7.395 4.007 1.00 0.00 O ATOM 399 CB LYS A 28 -10.580 7.844 1.534 1.00 0.00 C ATOM 400 CG LYS A 28 -11.948 8.444 1.376 1.00 0.00 C ATOM 401 CD LYS A 28 -11.851 9.786 0.695 1.00 0.00 C ATOM 402 CE LYS A 28 -12.950 10.718 1.165 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.741 12.102 0.685 1.00 0.00 N ATOM 0 H LYS A 28 -11.804 7.685 3.785 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.735 5.757 1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.897 8.615 1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.219 7.527 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.581 7.776 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.419 8.556 2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.878 10.233 0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.919 9.655 -0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.913 10.352 0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.989 10.713 2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.287 12.761 1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.730 12.341 0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.059 12.179 -0.302 1.00 0.00 H new ATOM 417 N GLU A 29 -8.351 5.726 2.608 1.00 0.00 N ATOM 418 CA GLU A 29 -7.015 5.558 3.088 1.00 0.00 C ATOM 419 C GLU A 29 -6.019 5.740 1.984 1.00 0.00 C ATOM 420 O GLU A 29 -6.351 5.787 0.800 1.00 0.00 O ATOM 421 CB GLU A 29 -6.804 4.182 3.667 1.00 0.00 C ATOM 422 CG GLU A 29 -7.581 3.920 4.933 1.00 0.00 C ATOM 423 CD GLU A 29 -7.051 4.702 6.115 1.00 0.00 C ATOM 424 OE1 GLU A 29 -5.810 4.785 6.271 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.868 5.217 6.901 1.00 0.00 O ATOM 0 H GLU A 29 -8.608 5.090 1.854 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.870 6.313 3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.085 3.439 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.742 4.044 3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.628 4.178 4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.546 2.855 5.162 1.00 0.00 H new ATOM 432 N TRP A 30 -4.794 5.815 2.403 1.00 0.00 N ATOM 433 CA TRP A 30 -3.676 5.868 1.506 1.00 0.00 C ATOM 434 C TRP A 30 -2.497 5.226 2.182 1.00 0.00 C ATOM 435 O TRP A 30 -2.376 5.243 3.409 1.00 0.00 O ATOM 436 CB TRP A 30 -3.334 7.295 1.107 1.00 0.00 C ATOM 437 CG TRP A 30 -3.149 8.199 2.273 1.00 0.00 C ATOM 438 CD1 TRP A 30 -4.136 8.777 3.005 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.911 8.621 2.852 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.589 9.573 3.976 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.229 9.486 3.910 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.562 8.367 2.573 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.259 10.098 4.686 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.397 8.972 3.352 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.042 9.828 4.395 1.00 0.00 C ATOM 0 H TRP A 30 -4.537 5.842 3.390 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.935 5.334 0.591 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.422 7.290 0.510 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.128 7.689 0.472 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.194 8.631 2.845 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.114 10.140 4.642 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.281 7.710 1.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.526 10.765 5.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.441 8.781 3.153 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.820 10.288 4.986 1.00 0.00 H new ATOM 456 N ARG A 31 -1.654 4.650 1.386 1.00 0.00 N ATOM 457 CA ARG A 31 -0.473 3.989 1.862 1.00 0.00 C ATOM 458 C ARG A 31 0.653 4.343 0.953 1.00 0.00 C ATOM 459 O ARG A 31 0.444 4.894 -0.127 1.00 0.00 O ATOM 460 CB ARG A 31 -0.637 2.473 1.917 1.00 0.00 C ATOM 461 CG ARG A 31 -1.691 2.012 2.894 1.00 0.00 C ATOM 462 CD ARG A 31 -1.860 0.505 2.856 1.00 0.00 C ATOM 463 NE ARG A 31 -2.647 0.005 3.979 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.233 0.006 5.247 1.00 0.00 C ATOM 465 NH1 ARG A 31 -1.006 0.424 5.557 1.00 0.00 N ATOM 466 NH2 ARG A 31 -3.038 -0.445 6.198 1.00 0.00 N ATOM 0 H ARG A 31 -1.765 4.623 0.372 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.276 4.321 2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.892 2.108 0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.318 2.023 2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.416 2.323 3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.641 2.492 2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.343 0.220 1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.878 0.032 2.865 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.575 -0.370 3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.376 0.746 4.822 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.697 0.422 6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.967 -0.790 5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.728 -0.447 7.170 1.00 0.00 H new ATOM 480 N CYS A 32 1.827 3.981 1.353 1.00 0.00 N ATOM 481 CA CYS A 32 2.999 4.381 0.638 1.00 0.00 C ATOM 482 C CYS A 32 3.519 3.172 -0.071 1.00 0.00 C ATOM 483 O CYS A 32 3.672 2.114 0.529 1.00 0.00 O ATOM 484 CB CYS A 32 4.045 4.933 1.604 1.00 0.00 C ATOM 485 SG CYS A 32 3.519 4.944 3.334 1.00 0.00 S ATOM 0 H CYS A 32 2.003 3.405 2.176 1.00 0.00 H new ATOM 0 HA CYS A 32 2.767 5.171 -0.077 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.955 4.339 1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.298 5.950 1.306 1.00 0.00 H new ATOM 0 HG CYS A 32 4.472 5.427 4.074 1.00 0.00 H new ATOM 491 N LEU A 33 3.691 3.359 -1.374 1.00 0.00 N ATOM 492 CA LEU A 33 4.014 2.304 -2.323 1.00 0.00 C ATOM 493 C LEU A 33 5.100 1.348 -1.833 1.00 0.00 C ATOM 494 O LEU A 33 5.741 1.578 -0.818 1.00 0.00 O ATOM 495 CB LEU A 33 4.410 2.958 -3.634 1.00 0.00 C ATOM 496 CG LEU A 33 3.321 2.946 -4.707 1.00 0.00 C ATOM 497 CD1 LEU A 33 1.948 3.191 -4.096 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.614 4.005 -5.745 1.00 0.00 C ATOM 0 H LEU A 33 3.607 4.277 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 33 3.130 1.679 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.696 3.991 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.292 2.452 -4.025 1.00 0.00 H new ATOM 0 HG LEU A 33 3.316 1.963 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.192 3.177 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.729 2.410 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.938 4.162 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.835 3.992 -6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.639 4.985 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.579 3.802 -6.209 1.00 0.00 H new ATOM 510 N LEU A 34 5.309 0.276 -2.572 1.00 0.00 N ATOM 511 CA LEU A 34 6.214 -0.771 -2.135 1.00 0.00 C ATOM 512 C LEU A 34 7.618 -0.237 -1.957 1.00 0.00 C ATOM 513 O LEU A 34 8.222 0.290 -2.887 1.00 0.00 O ATOM 514 CB LEU A 34 6.190 -1.930 -3.121 1.00 0.00 C ATOM 515 CG LEU A 34 4.811 -2.551 -3.312 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.880 -3.722 -4.259 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.231 -2.981 -1.979 1.00 0.00 C ATOM 0 H LEU A 34 4.866 0.107 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 34 5.877 -1.136 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.557 -1.581 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.880 -2.701 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 34 4.155 -1.797 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.885 -4.150 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.252 -3.386 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.553 -4.478 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.247 -3.422 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.889 -3.717 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.140 -2.114 -1.325 1.00 0.00 H new ATOM 529 N GLY A 35 8.116 -0.364 -0.743 1.00 0.00 N ATOM 530 CA GLY A 35 9.419 0.165 -0.416 1.00 0.00 C ATOM 531 C GLY A 35 9.408 1.671 -0.282 1.00 0.00 C ATOM 532 O GLY A 35 10.431 2.327 -0.453 1.00 0.00 O ATOM 0 H GLY A 35 7.637 -0.828 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.765 -0.278 0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.131 -0.124 -1.189 1.00 0.00 H new ATOM 536 N TYR A 36 8.241 2.226 -0.020 1.00 0.00 N ATOM 537 CA TYR A 36 8.099 3.649 0.218 1.00 0.00 C ATOM 538 C TYR A 36 7.872 3.944 1.697 1.00 0.00 C ATOM 539 O TYR A 36 7.743 3.032 2.516 1.00 0.00 O ATOM 540 CB TYR A 36 6.939 4.201 -0.600 1.00 0.00 C ATOM 541 CG TYR A 36 7.228 4.345 -2.077 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.765 3.300 -2.818 1.00 0.00 C ATOM 543 CD2 TYR A 36 6.963 5.533 -2.728 1.00 0.00 C ATOM 544 CE1 TYR A 36 8.022 3.438 -4.165 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.216 5.682 -4.071 1.00 0.00 C ATOM 546 CZ TYR A 36 7.744 4.633 -4.790 1.00 0.00 C ATOM 547 OH TYR A 36 7.994 4.781 -6.132 1.00 0.00 O ATOM 0 H TYR A 36 7.366 1.704 0.034 1.00 0.00 H new ATOM 0 HA TYR A 36 9.026 4.134 -0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.077 3.546 -0.473 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.660 5.176 -0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.985 2.362 -2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.549 6.361 -2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.438 2.615 -4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.001 6.620 -4.561 1.00 0.00 H new ATOM 0 HH TYR A 36 7.740 5.684 -6.414 1.00 0.00 H new ATOM 557 N LYS A 37 7.839 5.226 2.028 1.00 0.00 N ATOM 558 CA LYS A 37 7.644 5.677 3.392 1.00 0.00 C ATOM 559 C LYS A 37 7.023 7.072 3.366 1.00 0.00 C ATOM 560 O LYS A 37 7.033 7.719 2.324 1.00 0.00 O ATOM 561 CB LYS A 37 9.003 5.729 4.077 1.00 0.00 C ATOM 562 CG LYS A 37 9.936 6.742 3.434 1.00 0.00 C ATOM 563 CD LYS A 37 11.275 6.817 4.149 1.00 0.00 C ATOM 564 CE LYS A 37 12.113 7.978 3.642 1.00 0.00 C ATOM 565 NZ LYS A 37 13.499 7.935 4.172 1.00 0.00 N ATOM 0 H LYS A 37 7.947 5.983 1.353 1.00 0.00 H new ATOM 0 HA LYS A 37 6.984 4.999 3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.867 5.980 5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.463 4.741 4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.097 6.475 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.465 7.725 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.111 6.927 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.819 5.884 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.140 7.957 2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.643 8.918 3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.037 8.744 3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.475 7.981 5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.957 7.050 3.875 1.00 0.00 H new ATOM 579 N LYS A 38 6.482 7.538 4.484 1.00 0.00 N ATOM 580 CA LYS A 38 5.981 8.902 4.555 1.00 0.00 C ATOM 581 C LYS A 38 7.138 9.875 4.719 1.00 0.00 C ATOM 582 O LYS A 38 7.815 9.874 5.747 1.00 0.00 O ATOM 583 CB LYS A 38 5.005 9.060 5.697 1.00 0.00 C ATOM 584 CG LYS A 38 3.823 8.117 5.601 1.00 0.00 C ATOM 585 CD LYS A 38 2.627 8.719 6.277 1.00 0.00 C ATOM 586 CE LYS A 38 1.540 7.690 6.565 1.00 0.00 C ATOM 587 NZ LYS A 38 1.959 6.676 7.568 1.00 0.00 N ATOM 0 H LYS A 38 6.380 6.999 5.344 1.00 0.00 H new ATOM 0 HA LYS A 38 5.457 9.122 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.525 8.887 6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.642 10.088 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.595 7.913 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.071 7.162 6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.938 9.185 7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.217 9.509 5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.647 8.202 6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.268 7.186 5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.118 6.199 7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.578 5.974 7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.474 7.144 8.341 1.00 0.00 H new ATOM 601 N GLY A 39 7.366 10.704 3.712 1.00 0.00 N ATOM 602 CA GLY A 39 8.536 11.553 3.722 1.00 0.00 C ATOM 603 C GLY A 39 8.207 13.018 3.872 1.00 0.00 C ATOM 604 O GLY A 39 8.661 13.679 4.806 1.00 0.00 O ATOM 0 H GLY A 39 6.766 10.803 2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.190 11.249 4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.092 11.405 2.796 1.00 0.00 H new ATOM 608 N GLU A 40 7.395 13.522 2.962 1.00 0.00 N ATOM 609 CA GLU A 40 7.142 14.945 2.865 1.00 0.00 C ATOM 610 C GLU A 40 5.882 15.368 3.624 1.00 0.00 C ATOM 611 O GLU A 40 5.174 16.284 3.208 1.00 0.00 O ATOM 612 CB GLU A 40 7.077 15.338 1.387 1.00 0.00 C ATOM 613 CG GLU A 40 6.347 14.350 0.474 1.00 0.00 C ATOM 614 CD GLU A 40 6.503 14.724 -0.978 1.00 0.00 C ATOM 615 OE1 GLU A 40 5.786 15.643 -1.428 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.348 14.120 -1.669 1.00 0.00 O ATOM 0 H GLU A 40 6.895 12.959 2.273 1.00 0.00 H new ATOM 0 HA GLU A 40 7.963 15.479 3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.587 16.309 1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.095 15.464 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.738 13.345 0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.289 14.326 0.733 1.00 0.00 H new ATOM 623 N GLY A 41 5.628 14.704 4.753 1.00 0.00 N ATOM 624 CA GLY A 41 4.461 15.011 5.572 1.00 0.00 C ATOM 625 C GLY A 41 3.172 14.528 4.938 1.00 0.00 C ATOM 626 O GLY A 41 2.799 15.010 3.869 1.00 0.00 O ATOM 0 H GLY A 41 6.214 13.953 5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.576 14.550 6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.404 16.088 5.731 1.00 0.00 H new ATOM 630 N ASN A 42 2.504 13.573 5.599 1.00 0.00 N ATOM 631 CA ASN A 42 1.288 12.929 5.073 1.00 0.00 C ATOM 632 C ASN A 42 1.410 12.687 3.575 1.00 0.00 C ATOM 633 O ASN A 42 0.654 13.219 2.770 1.00 0.00 O ATOM 634 CB ASN A 42 -0.001 13.712 5.417 1.00 0.00 C ATOM 635 CG ASN A 42 -0.050 15.147 4.906 1.00 0.00 C ATOM 636 OD1 ASN A 42 0.474 16.064 5.541 1.00 0.00 O ATOM 637 ND2 ASN A 42 -0.719 15.357 3.782 1.00 0.00 N ATOM 0 H ASN A 42 2.790 13.224 6.514 1.00 0.00 H new ATOM 0 HA ASN A 42 1.199 11.964 5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.855 13.170 5.010 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.119 13.726 6.500 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.814 16.304 3.414 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.139 14.572 3.284 1.00 0.00 H new ATOM 644 N THR A 43 2.375 11.860 3.221 1.00 0.00 N ATOM 645 CA THR A 43 2.737 11.630 1.838 1.00 0.00 C ATOM 646 C THR A 43 3.527 10.354 1.740 1.00 0.00 C ATOM 647 O THR A 43 3.633 9.608 2.714 1.00 0.00 O ATOM 648 CB THR A 43 3.616 12.761 1.300 1.00 0.00 C ATOM 649 OG1 THR A 43 4.395 13.280 2.372 1.00 0.00 O ATOM 650 CG2 THR A 43 2.806 13.872 0.656 1.00 0.00 C ATOM 0 H THR A 43 2.932 11.327 3.889 1.00 0.00 H new ATOM 0 HA THR A 43 1.817 11.576 1.255 1.00 0.00 H new ATOM 0 HB THR A 43 4.258 12.352 0.520 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.957 12.568 2.743 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.479 14.648 0.292 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.233 13.468 -0.178 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.124 14.299 1.392 1.00 0.00 H new ATOM 658 N CYS A 44 4.090 10.101 0.578 1.00 0.00 N ATOM 659 CA CYS A 44 4.920 8.939 0.396 1.00 0.00 C ATOM 660 C CYS A 44 6.099 9.256 -0.514 1.00 0.00 C ATOM 661 O CYS A 44 5.990 10.085 -1.414 1.00 0.00 O ATOM 662 CB CYS A 44 4.078 7.806 -0.168 1.00 0.00 C ATOM 663 SG CYS A 44 2.545 7.536 0.750 1.00 0.00 S ATOM 0 H CYS A 44 3.986 10.686 -0.251 1.00 0.00 H new ATOM 0 HA CYS A 44 5.327 8.630 1.359 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.838 8.023 -1.209 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.665 6.887 -0.162 1.00 0.00 H new ATOM 0 HG CYS A 44 2.774 7.660 2.024 1.00 0.00 H new ATOM 669 N VAL A 45 7.226 8.620 -0.235 1.00 0.00 N ATOM 670 CA VAL A 45 8.442 8.773 -1.015 1.00 0.00 C ATOM 671 C VAL A 45 9.194 7.455 -1.040 1.00 0.00 C ATOM 672 O VAL A 45 8.966 6.590 -0.193 1.00 0.00 O ATOM 673 CB VAL A 45 9.381 9.846 -0.428 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.788 11.240 -0.573 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.692 9.550 1.032 1.00 0.00 C ATOM 0 H VAL A 45 7.322 7.975 0.549 1.00 0.00 H new ATOM 0 HA VAL A 45 8.145 9.082 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 45 10.312 9.816 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.474 11.973 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.629 11.460 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.836 11.287 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.356 10.320 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.766 9.541 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.177 8.577 1.111 1.00 0.00 H new ATOM 685 N GLU A 46 10.084 7.313 -2.005 1.00 0.00 N ATOM 686 CA GLU A 46 10.888 6.110 -2.148 1.00 0.00 C ATOM 687 C GLU A 46 11.808 5.918 -0.951 1.00 0.00 C ATOM 688 O GLU A 46 12.809 6.621 -0.796 1.00 0.00 O ATOM 689 CB GLU A 46 11.711 6.187 -3.435 1.00 0.00 C ATOM 690 CG GLU A 46 11.340 5.151 -4.484 1.00 0.00 C ATOM 691 CD GLU A 46 11.887 5.499 -5.850 1.00 0.00 C ATOM 692 OE1 GLU A 46 11.397 6.473 -6.461 1.00 0.00 O ATOM 693 OE2 GLU A 46 12.821 4.816 -6.316 1.00 0.00 O ATOM 0 H GLU A 46 10.271 8.025 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 46 10.216 5.253 -2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.594 7.181 -3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.765 6.070 -3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.721 4.176 -4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.255 5.066 -4.540 1.00 0.00 H new ATOM 700 N ASN A 47 11.449 4.965 -0.107 1.00 0.00 N ATOM 701 CA ASN A 47 12.273 4.579 1.027 1.00 0.00 C ATOM 702 C ASN A 47 13.288 3.540 0.567 1.00 0.00 C ATOM 703 O ASN A 47 12.970 2.366 0.422 1.00 0.00 O ATOM 704 CB ASN A 47 11.396 4.032 2.156 1.00 0.00 C ATOM 705 CG ASN A 47 12.191 3.593 3.372 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.323 4.026 3.587 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.583 2.757 4.194 1.00 0.00 N ATOM 0 H ASN A 47 10.580 4.438 -0.188 1.00 0.00 H new ATOM 0 HA ASN A 47 12.805 5.448 1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.680 4.798 2.455 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.820 3.186 1.782 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.052 2.446 5.045 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.644 2.422 3.978 1.00 0.00 H new ATOM 714 N ASN A 48 14.515 3.986 0.348 1.00 0.00 N ATOM 715 CA ASN A 48 15.512 3.189 -0.364 1.00 0.00 C ATOM 716 C ASN A 48 16.145 2.127 0.529 1.00 0.00 C ATOM 717 O ASN A 48 17.216 1.595 0.236 1.00 0.00 O ATOM 718 CB ASN A 48 16.567 4.109 -0.950 1.00 0.00 C ATOM 719 CG ASN A 48 17.083 3.563 -2.254 1.00 0.00 C ATOM 720 OD1 ASN A 48 16.373 3.877 -3.322 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 18.102 2.875 -2.304 1.00 0.00 N flip ATOM 0 H ASN A 48 14.849 4.900 0.653 1.00 0.00 H new ATOM 0 HA ASN A 48 15.009 2.655 -1.170 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.145 5.101 -1.107 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.391 4.221 -0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 48 18.615 2.661 -1.449 1.00 0.00 H new ATOM 0 HD22 ASN A 48 18.434 2.519 -3.201 1.00 0.00 H new ATOM 728 N ASN A 49 15.456 1.806 1.606 1.00 0.00 N ATOM 729 CA ASN A 49 15.872 0.767 2.525 1.00 0.00 C ATOM 730 C ASN A 49 14.655 0.327 3.319 1.00 0.00 C ATOM 731 O ASN A 49 14.550 0.582 4.521 1.00 0.00 O ATOM 732 CB ASN A 49 16.969 1.271 3.462 1.00 0.00 C ATOM 733 CG ASN A 49 17.770 0.130 4.071 1.00 0.00 C ATOM 734 OD1 ASN A 49 18.772 -0.312 3.503 1.00 0.00 O ATOM 735 ND2 ASN A 49 17.338 -0.361 5.220 1.00 0.00 N ATOM 0 H ASN A 49 14.583 2.264 1.870 1.00 0.00 H new ATOM 0 HA ASN A 49 16.284 -0.074 1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.640 1.931 2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.520 1.864 4.259 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.837 -1.131 5.666 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.505 0.030 5.661 1.00 0.00 H new ATOM 742 N PRO A 50 13.702 -0.324 2.641 1.00 0.00 N ATOM 743 CA PRO A 50 12.419 -0.659 3.217 1.00 0.00 C ATOM 744 C PRO A 50 12.480 -1.907 4.075 1.00 0.00 C ATOM 745 O PRO A 50 13.130 -2.891 3.725 1.00 0.00 O ATOM 746 CB PRO A 50 11.514 -0.886 2.004 1.00 0.00 C ATOM 747 CG PRO A 50 12.399 -0.928 0.800 1.00 0.00 C ATOM 748 CD PRO A 50 13.816 -0.819 1.270 1.00 0.00 C ATOM 0 HA PRO A 50 12.061 0.128 3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.958 -1.818 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.780 -0.085 1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.250 -1.856 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.158 -0.111 0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.322 -1.784 1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.391 -0.135 0.646 1.00 0.00 H new ATOM 756 N THR A 51 11.801 -1.848 5.199 1.00 0.00 N ATOM 757 CA THR A 51 11.755 -2.942 6.135 1.00 0.00 C ATOM 758 C THR A 51 10.305 -3.355 6.316 1.00 0.00 C ATOM 759 O THR A 51 9.406 -2.529 6.170 1.00 0.00 O ATOM 760 CB THR A 51 12.380 -2.541 7.489 1.00 0.00 C ATOM 761 OG1 THR A 51 12.586 -3.697 8.305 1.00 0.00 O ATOM 762 CG2 THR A 51 11.498 -1.548 8.230 1.00 0.00 C ATOM 0 H THR A 51 11.262 -1.032 5.489 1.00 0.00 H new ATOM 0 HA THR A 51 12.336 -3.779 5.747 1.00 0.00 H new ATOM 0 HB THR A 51 13.340 -2.067 7.282 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.984 -3.428 9.159 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.965 -1.285 9.179 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.374 -0.650 7.625 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.523 -1.997 8.417 1.00 0.00 H new ATOM 770 N CYS A 52 10.065 -4.614 6.616 1.00 0.00 N ATOM 771 CA CYS A 52 8.720 -5.075 6.822 1.00 0.00 C ATOM 772 C CYS A 52 8.296 -4.723 8.241 1.00 0.00 C ATOM 773 O CYS A 52 9.098 -4.160 8.989 1.00 0.00 O ATOM 774 CB CYS A 52 8.663 -6.578 6.585 1.00 0.00 C ATOM 775 SG CYS A 52 9.811 -7.533 7.601 1.00 0.00 S ATOM 0 H CYS A 52 10.784 -5.329 6.721 1.00 0.00 H new ATOM 0 HA CYS A 52 8.035 -4.595 6.123 1.00 0.00 H new ATOM 0 HB2 CYS A 52 7.648 -6.927 6.778 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.874 -6.777 5.534 1.00 0.00 H new ATOM 0 HG CYS A 52 9.419 -7.507 8.840 1.00 0.00 H new ATOM 781 N ASP A 53 7.039 -5.011 8.590 1.00 0.00 N ATOM 782 CA ASP A 53 6.469 -4.654 9.904 1.00 0.00 C ATOM 783 C ASP A 53 6.092 -3.178 9.945 1.00 0.00 C ATOM 784 O ASP A 53 5.013 -2.808 10.407 1.00 0.00 O ATOM 785 CB ASP A 53 7.430 -4.967 11.053 1.00 0.00 C ATOM 786 CG ASP A 53 7.641 -6.451 11.275 1.00 0.00 C ATOM 787 OD1 ASP A 53 8.326 -7.093 10.447 1.00 0.00 O ATOM 788 OD2 ASP A 53 7.152 -6.979 12.295 1.00 0.00 O ATOM 0 H ASP A 53 6.385 -5.496 7.976 1.00 0.00 H new ATOM 0 HA ASP A 53 5.575 -5.263 10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.392 -4.497 10.850 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.045 -4.521 11.970 1.00 0.00 H new ATOM 793 N ILE A 54 6.985 -2.346 9.434 1.00 0.00 N ATOM 794 CA ILE A 54 6.802 -0.901 9.428 1.00 0.00 C ATOM 795 C ILE A 54 6.312 -0.472 8.074 1.00 0.00 C ATOM 796 O ILE A 54 7.030 -0.606 7.081 1.00 0.00 O ATOM 797 CB ILE A 54 8.115 -0.170 9.764 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.627 -0.638 11.127 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.904 1.338 9.747 1.00 0.00 C ATOM 800 CD1 ILE A 54 10.000 -0.115 11.480 1.00 0.00 C ATOM 0 H ILE A 54 7.860 -2.653 9.010 1.00 0.00 H new ATOM 0 HA ILE A 54 6.069 -0.640 10.191 1.00 0.00 H new ATOM 0 HB ILE A 54 8.864 -0.409 9.009 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.921 -0.324 11.896 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.650 -1.728 11.141 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.842 1.839 9.987 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.570 1.647 8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.149 1.608 10.486 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.292 -0.491 12.460 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.720 -0.450 10.734 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.980 0.975 11.501 1.00 0.00 H new ATOM 812 N ASN A 55 5.061 -0.012 8.037 1.00 0.00 N ATOM 813 CA ASN A 55 4.404 0.329 6.781 1.00 0.00 C ATOM 814 C ASN A 55 4.228 -0.933 5.957 1.00 0.00 C ATOM 815 O ASN A 55 3.878 -0.889 4.781 1.00 0.00 O ATOM 816 CB ASN A 55 5.249 1.351 6.025 1.00 0.00 C ATOM 817 CG ASN A 55 4.526 1.984 4.856 1.00 0.00 C ATOM 818 OD1 ASN A 55 3.312 2.195 4.888 1.00 0.00 O ATOM 819 ND2 ASN A 55 5.273 2.293 3.815 1.00 0.00 N ATOM 0 H ASN A 55 4.484 0.132 8.866 1.00 0.00 H new ATOM 0 HA ASN A 55 3.425 0.766 6.976 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.562 2.134 6.716 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.155 0.865 5.662 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.850 2.724 2.993 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.275 2.101 3.831 1.00 0.00 H new ATOM 826 N ASN A 56 4.487 -2.062 6.615 1.00 0.00 N ATOM 827 CA ASN A 56 4.508 -3.363 5.976 1.00 0.00 C ATOM 828 C ASN A 56 5.511 -3.346 4.817 1.00 0.00 C ATOM 829 O ASN A 56 5.364 -4.070 3.843 1.00 0.00 O ATOM 830 CB ASN A 56 3.106 -3.733 5.477 1.00 0.00 C ATOM 831 CG ASN A 56 2.838 -5.222 5.492 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.170 -5.916 6.451 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.250 -5.721 4.422 1.00 0.00 N ATOM 0 H ASN A 56 4.689 -2.092 7.614 1.00 0.00 H new ATOM 0 HA ASN A 56 4.818 -4.117 6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.363 -3.231 6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.979 -3.358 4.461 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.054 -6.720 4.367 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.992 -5.107 3.649 1.00 0.00 H new ATOM 840 N GLY A 57 6.533 -2.491 4.935 1.00 0.00 N ATOM 841 CA GLY A 57 7.513 -2.324 3.875 1.00 0.00 C ATOM 842 C GLY A 57 6.920 -1.666 2.645 1.00 0.00 C ATOM 843 O GLY A 57 7.445 -1.795 1.541 1.00 0.00 O ATOM 0 H GLY A 57 6.696 -1.908 5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.344 -1.722 4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.921 -3.298 3.603 1.00 0.00 H new ATOM 847 N GLY A 58 5.826 -0.955 2.842 1.00 0.00 N ATOM 848 CA GLY A 58 5.146 -0.305 1.747 1.00 0.00 C ATOM 849 C GLY A 58 4.044 -1.181 1.192 1.00 0.00 C ATOM 850 O GLY A 58 3.530 -0.943 0.107 1.00 0.00 O ATOM 0 H GLY A 58 5.391 -0.815 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.726 0.642 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.861 -0.072 0.958 1.00 0.00 H new ATOM 854 N CYS A 59 3.678 -2.181 1.972 1.00 0.00 N ATOM 855 CA CYS A 59 2.675 -3.161 1.591 1.00 0.00 C ATOM 856 C CYS A 59 1.441 -2.990 2.472 1.00 0.00 C ATOM 857 O CYS A 59 1.423 -2.156 3.376 1.00 0.00 O ATOM 858 CB CYS A 59 3.238 -4.572 1.755 1.00 0.00 C ATOM 859 SG CYS A 59 4.634 -4.948 0.671 1.00 0.00 S ATOM 0 H CYS A 59 4.073 -2.338 2.899 1.00 0.00 H new ATOM 0 HA CYS A 59 2.399 -3.010 0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.551 -4.707 2.790 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.442 -5.292 1.566 1.00 0.00 H new ATOM 0 HG CYS A 59 4.902 -6.219 0.734 1.00 0.00 H new ATOM 865 N ASP A 60 0.418 -3.780 2.208 1.00 0.00 N ATOM 866 CA ASP A 60 -0.796 -3.746 3.014 1.00 0.00 C ATOM 867 C ASP A 60 -0.779 -4.918 3.978 1.00 0.00 C ATOM 868 O ASP A 60 -0.305 -5.984 3.629 1.00 0.00 O ATOM 869 CB ASP A 60 -2.030 -3.860 2.117 1.00 0.00 C ATOM 870 CG ASP A 60 -3.325 -3.668 2.888 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.814 -4.648 3.490 1.00 0.00 O ATOM 872 OD2 ASP A 60 -3.850 -2.532 2.918 1.00 0.00 O ATOM 0 H ASP A 60 0.399 -4.454 1.443 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.837 -2.804 3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.969 -3.116 1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.038 -4.838 1.637 1.00 0.00 H new ATOM 877 N PRO A 61 -1.251 -4.711 5.225 1.00 0.00 N ATOM 878 CA PRO A 61 -1.294 -5.751 6.259 1.00 0.00 C ATOM 879 C PRO A 61 -1.902 -7.077 5.789 1.00 0.00 C ATOM 880 O PRO A 61 -1.673 -8.120 6.404 1.00 0.00 O ATOM 881 CB PRO A 61 -2.178 -5.130 7.337 1.00 0.00 C ATOM 882 CG PRO A 61 -2.009 -3.675 7.189 1.00 0.00 C ATOM 883 CD PRO A 61 -1.747 -3.425 5.737 1.00 0.00 C ATOM 0 HA PRO A 61 -0.288 -6.017 6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.220 -5.420 7.206 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.878 -5.462 8.331 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.902 -3.145 7.519 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.181 -3.316 7.800 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.654 -3.114 5.218 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.012 -2.632 5.597 1.00 0.00 H new ATOM 891 N THR A 62 -2.708 -7.031 4.732 1.00 0.00 N ATOM 892 CA THR A 62 -3.236 -8.250 4.126 1.00 0.00 C ATOM 893 C THR A 62 -2.189 -8.876 3.203 1.00 0.00 C ATOM 894 O THR A 62 -2.047 -10.099 3.134 1.00 0.00 O ATOM 895 CB THR A 62 -4.526 -7.970 3.331 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.307 -6.909 2.397 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.670 -7.600 4.261 1.00 0.00 C ATOM 0 H THR A 62 -3.009 -6.168 4.279 1.00 0.00 H new ATOM 0 HA THR A 62 -3.475 -8.945 4.931 1.00 0.00 H new ATOM 0 HB THR A 62 -4.795 -8.879 2.794 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.443 -6.047 2.843 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.568 -7.407 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.857 -8.422 4.952 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.406 -6.705 4.824 1.00 0.00 H new ATOM 905 N ALA A 63 -1.452 -8.011 2.517 1.00 0.00 N ATOM 906 CA ALA A 63 -0.366 -8.402 1.647 1.00 0.00 C ATOM 907 C ALA A 63 0.895 -8.689 2.468 1.00 0.00 C ATOM 908 O ALA A 63 1.708 -7.799 2.697 1.00 0.00 O ATOM 909 CB ALA A 63 -0.110 -7.291 0.635 1.00 0.00 C ATOM 0 H ALA A 63 -1.600 -7.003 2.555 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.635 -9.314 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.708 -7.581 -0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.010 -7.123 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.155 -6.374 1.161 1.00 0.00 H new ATOM 915 N SER A 64 1.044 -9.941 2.900 1.00 0.00 N ATOM 916 CA SER A 64 2.160 -10.358 3.754 1.00 0.00 C ATOM 917 C SER A 64 3.511 -9.963 3.147 1.00 0.00 C ATOM 918 O SER A 64 3.976 -10.564 2.176 1.00 0.00 O ATOM 919 CB SER A 64 2.100 -11.874 3.987 1.00 0.00 C ATOM 920 OG SER A 64 3.084 -12.303 4.920 1.00 0.00 O ATOM 0 H SER A 64 0.397 -10.695 2.669 1.00 0.00 H new ATOM 0 HA SER A 64 2.066 -9.843 4.710 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.110 -12.147 4.351 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.246 -12.394 3.040 1.00 0.00 H new ATOM 0 HG SER A 64 3.016 -13.273 5.045 1.00 0.00 H new ATOM 926 N CYS A 65 4.114 -8.934 3.727 1.00 0.00 N ATOM 927 CA CYS A 65 5.391 -8.403 3.266 1.00 0.00 C ATOM 928 C CYS A 65 6.576 -9.282 3.651 1.00 0.00 C ATOM 929 O CYS A 65 6.522 -10.045 4.618 1.00 0.00 O ATOM 930 CB CYS A 65 5.621 -7.022 3.861 1.00 0.00 C ATOM 931 SG CYS A 65 5.705 -7.012 5.666 1.00 0.00 S ATOM 0 H CYS A 65 3.730 -8.442 4.534 1.00 0.00 H new ATOM 0 HA CYS A 65 5.332 -8.366 2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.549 -6.614 3.461 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.817 -6.360 3.540 1.00 0.00 H new ATOM 0 HG CYS A 65 4.520 -6.795 6.154 1.00 0.00 H new ATOM 937 N GLN A 66 7.643 -9.153 2.873 1.00 0.00 N ATOM 938 CA GLN A 66 8.930 -9.748 3.190 1.00 0.00 C ATOM 939 C GLN A 66 10.017 -8.685 3.084 1.00 0.00 C ATOM 940 O GLN A 66 10.002 -7.872 2.161 1.00 0.00 O ATOM 941 CB GLN A 66 9.248 -10.897 2.239 1.00 0.00 C ATOM 942 CG GLN A 66 8.286 -12.068 2.347 1.00 0.00 C ATOM 943 CD GLN A 66 8.995 -13.408 2.427 1.00 0.00 C ATOM 944 OE1 GLN A 66 10.148 -13.445 3.083 1.00 0.00 O flip ATOM 945 NE2 GLN A 66 8.490 -14.415 1.933 1.00 0.00 N flip ATOM 0 H GLN A 66 7.637 -8.628 1.998 1.00 0.00 H new ATOM 0 HA GLN A 66 8.890 -10.142 4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.236 -10.523 1.215 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.260 -11.251 2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.662 -11.939 3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.620 -12.066 1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.602 -14.349 1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.959 -15.316 2.021 1.00 0.00 H new ATOM 954 N ASN A 67 10.944 -8.689 4.027 1.00 0.00 N ATOM 955 CA ASN A 67 12.017 -7.702 4.053 1.00 0.00 C ATOM 956 C ASN A 67 13.193 -8.169 3.202 1.00 0.00 C ATOM 957 O ASN A 67 13.747 -9.247 3.430 1.00 0.00 O ATOM 958 CB ASN A 67 12.468 -7.457 5.497 1.00 0.00 C ATOM 959 CG ASN A 67 13.578 -6.435 5.611 1.00 0.00 C ATOM 960 OD1 ASN A 67 13.540 -5.418 4.775 1.00 0.00 O flip ATOM 961 ND2 ASN A 67 14.450 -6.547 6.473 1.00 0.00 N flip ATOM 0 H ASN A 67 10.977 -9.367 4.789 1.00 0.00 H new ATOM 0 HA ASN A 67 11.643 -6.767 3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.614 -7.123 6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.805 -8.399 5.930 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.445 -7.350 7.102 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.177 -5.837 6.558 1.00 0.00 H new ATOM 968 N ALA A 68 13.561 -7.353 2.220 1.00 0.00 N ATOM 969 CA ALA A 68 14.634 -7.684 1.296 1.00 0.00 C ATOM 970 C ALA A 68 15.250 -6.420 0.726 1.00 0.00 C ATOM 971 O ALA A 68 14.688 -5.332 0.858 1.00 0.00 O ATOM 972 CB ALA A 68 14.111 -8.558 0.168 1.00 0.00 C ATOM 0 H ALA A 68 13.125 -6.448 2.045 1.00 0.00 H new ATOM 0 HA ALA A 68 15.400 -8.234 1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.926 -8.797 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.702 -9.480 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.329 -8.025 -0.373 1.00 0.00 H new ATOM 978 N GLU A 69 16.412 -6.567 0.118 1.00 0.00 N ATOM 979 CA GLU A 69 17.073 -5.460 -0.543 1.00 0.00 C ATOM 980 C GLU A 69 17.147 -5.731 -2.042 1.00 0.00 C ATOM 981 O GLU A 69 17.403 -6.854 -2.472 1.00 0.00 O ATOM 982 CB GLU A 69 18.467 -5.242 0.034 1.00 0.00 C ATOM 983 CG GLU A 69 19.185 -4.043 -0.564 1.00 0.00 C ATOM 984 CD GLU A 69 20.535 -3.792 0.068 1.00 0.00 C ATOM 985 OE1 GLU A 69 21.526 -4.423 -0.359 1.00 0.00 O ATOM 986 OE2 GLU A 69 20.613 -2.963 0.998 1.00 0.00 O ATOM 0 H GLU A 69 16.920 -7.450 0.069 1.00 0.00 H new ATOM 0 HA GLU A 69 16.496 -4.551 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.389 -5.109 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 69 19.066 -6.137 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.314 -4.200 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.563 -3.156 -0.444 1.00 0.00 H new ATOM 993 N SER A 70 16.944 -4.687 -2.820 1.00 0.00 N ATOM 994 CA SER A 70 16.791 -4.797 -4.261 1.00 0.00 C ATOM 995 C SER A 70 17.214 -3.489 -4.917 1.00 0.00 C ATOM 996 O SER A 70 17.481 -2.521 -4.212 1.00 0.00 O ATOM 997 CB SER A 70 15.327 -5.112 -4.584 1.00 0.00 C ATOM 998 OG SER A 70 15.013 -6.462 -4.273 1.00 0.00 O ATOM 0 H SER A 70 16.880 -3.731 -2.470 1.00 0.00 H new ATOM 0 HA SER A 70 17.421 -5.599 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.675 -4.445 -4.020 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.136 -4.925 -5.641 1.00 0.00 H new ATOM 0 HG SER A 70 14.077 -6.641 -4.502 1.00 0.00 H new ATOM 1004 N THR A 71 17.275 -3.447 -6.240 1.00 0.00 N ATOM 1005 CA THR A 71 17.612 -2.208 -6.933 1.00 0.00 C ATOM 1006 C THR A 71 16.392 -1.281 -6.961 1.00 0.00 C ATOM 1007 O THR A 71 16.518 -0.058 -6.884 1.00 0.00 O ATOM 1008 CB THR A 71 18.132 -2.475 -8.369 1.00 0.00 C ATOM 1009 OG1 THR A 71 18.683 -1.276 -8.932 1.00 0.00 O ATOM 1010 CG2 THR A 71 17.031 -3.000 -9.277 1.00 0.00 C ATOM 0 H THR A 71 17.098 -4.245 -6.851 1.00 0.00 H new ATOM 0 HA THR A 71 18.419 -1.722 -6.385 1.00 0.00 H new ATOM 0 HB THR A 71 18.908 -3.237 -8.296 1.00 0.00 H new ATOM 0 HG1 THR A 71 19.009 -1.460 -9.838 1.00 0.00 H new ATOM 0 HG21 THR A 71 17.434 -3.175 -10.274 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.642 -3.935 -8.874 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.226 -2.267 -9.335 1.00 0.00 H new ATOM 1018 N GLU A 72 15.211 -1.886 -7.018 1.00 0.00 N ATOM 1019 CA GLU A 72 13.957 -1.148 -6.981 1.00 0.00 C ATOM 1020 C GLU A 72 13.427 -1.162 -5.570 1.00 0.00 C ATOM 1021 O GLU A 72 13.378 -2.218 -4.946 1.00 0.00 O ATOM 1022 CB GLU A 72 12.907 -1.802 -7.873 1.00 0.00 C ATOM 1023 CG GLU A 72 13.199 -1.745 -9.355 1.00 0.00 C ATOM 1024 CD GLU A 72 12.970 -0.371 -9.942 1.00 0.00 C ATOM 1025 OE1 GLU A 72 11.796 0.019 -10.112 1.00 0.00 O ATOM 1026 OE2 GLU A 72 13.958 0.310 -10.263 1.00 0.00 O ATOM 0 H GLU A 72 15.097 -2.897 -7.091 1.00 0.00 H new ATOM 0 HA GLU A 72 14.149 -0.134 -7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.803 -2.846 -7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.946 -1.321 -7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.233 -2.042 -9.529 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.568 -2.467 -9.874 1.00 0.00 H new ATOM 1033 N ASN A 73 13.011 -0.009 -5.077 1.00 0.00 N ATOM 1034 CA ASN A 73 12.431 0.089 -3.750 1.00 0.00 C ATOM 1035 C ASN A 73 11.183 -0.762 -3.661 1.00 0.00 C ATOM 1036 O ASN A 73 10.878 -1.330 -2.615 1.00 0.00 O ATOM 1037 CB ASN A 73 12.095 1.537 -3.418 1.00 0.00 C ATOM 1038 CG ASN A 73 13.332 2.411 -3.347 1.00 0.00 C ATOM 1039 OD1 ASN A 73 13.295 3.428 -2.509 1.00 0.00 O flip ATOM 1040 ND2 ASN A 73 14.322 2.162 -4.026 1.00 0.00 N flip ATOM 0 H ASN A 73 13.065 0.877 -5.579 1.00 0.00 H new ATOM 0 HA ASN A 73 13.162 -0.274 -3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.416 1.933 -4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.569 1.577 -2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 73 14.316 1.367 -4.664 1.00 0.00 H new ATOM 0 HD22 ASN A 73 15.152 2.750 -3.952 1.00 0.00 H new ATOM 1047 N SER A 74 10.503 -0.879 -4.783 1.00 0.00 N ATOM 1048 CA SER A 74 9.244 -1.595 -4.842 1.00 0.00 C ATOM 1049 C SER A 74 9.465 -3.098 -5.005 1.00 0.00 C ATOM 1050 O SER A 74 8.575 -3.901 -4.729 1.00 0.00 O ATOM 1051 CB SER A 74 8.398 -1.058 -5.996 1.00 0.00 C ATOM 1052 OG SER A 74 9.100 -1.156 -7.224 1.00 0.00 O ATOM 0 H SER A 74 10.804 -0.484 -5.674 1.00 0.00 H new ATOM 0 HA SER A 74 8.717 -1.436 -3.901 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.465 -1.618 -6.060 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.133 -0.018 -5.805 1.00 0.00 H new ATOM 0 HG SER A 74 8.540 -0.809 -7.949 1.00 0.00 H new ATOM 1058 N LYS A 75 10.657 -3.479 -5.449 1.00 0.00 N ATOM 1059 CA LYS A 75 10.949 -4.884 -5.706 1.00 0.00 C ATOM 1060 C LYS A 75 11.760 -5.490 -4.570 1.00 0.00 C ATOM 1061 O LYS A 75 12.214 -6.629 -4.660 1.00 0.00 O ATOM 1062 CB LYS A 75 11.698 -5.057 -7.028 1.00 0.00 C ATOM 1063 CG LYS A 75 10.959 -4.490 -8.226 1.00 0.00 C ATOM 1064 CD LYS A 75 11.476 -5.068 -9.525 1.00 0.00 C ATOM 1065 CE LYS A 75 10.676 -4.564 -10.715 1.00 0.00 C ATOM 1066 NZ LYS A 75 9.221 -4.840 -10.564 1.00 0.00 N ATOM 0 H LYS A 75 11.431 -2.841 -5.637 1.00 0.00 H new ATOM 0 HA LYS A 75 9.996 -5.408 -5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.671 -4.573 -6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.882 -6.118 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.894 -4.702 -8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.068 -3.406 -8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.525 -4.801 -9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.426 -6.156 -9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.832 -3.491 -10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.043 -5.038 -11.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.823 -5.120 -11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.083 -5.610 -9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.739 -3.984 -10.224 1.00 0.00 H new ATOM 1080 N LYS A 76 11.959 -4.729 -3.505 1.00 0.00 N ATOM 1081 CA LYS A 76 12.657 -5.244 -2.340 1.00 0.00 C ATOM 1082 C LYS A 76 11.677 -5.977 -1.464 1.00 0.00 C ATOM 1083 O LYS A 76 11.831 -7.157 -1.190 1.00 0.00 O ATOM 1084 CB LYS A 76 13.264 -4.114 -1.536 1.00 0.00 C ATOM 1085 CG LYS A 76 14.123 -3.184 -2.328 1.00 0.00 C ATOM 1086 CD LYS A 76 14.153 -1.902 -1.632 1.00 0.00 C ATOM 1087 CE LYS A 76 15.029 -0.896 -2.310 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.483 -1.189 -2.207 1.00 0.00 N ATOM 0 H LYS A 76 11.649 -3.760 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 76 13.450 -5.911 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.460 -3.541 -1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.859 -4.539 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.131 -3.587 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.726 -3.062 -3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.139 -1.507 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.505 -2.055 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.754 -0.842 -3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.836 0.087 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.982 -0.350 -1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.631 -1.986 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.855 -1.436 -3.146 1.00 0.00 H new ATOM 1102 N ILE A 77 10.654 -5.261 -1.035 1.00 0.00 N ATOM 1103 CA ILE A 77 9.654 -5.837 -0.176 1.00 0.00 C ATOM 1104 C ILE A 77 8.690 -6.666 -1.008 1.00 0.00 C ATOM 1105 O ILE A 77 8.267 -6.255 -2.091 1.00 0.00 O ATOM 1106 CB ILE A 77 8.865 -4.764 0.602 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.826 -3.840 1.348 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.896 -5.396 1.585 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.698 -4.562 2.356 1.00 0.00 C ATOM 0 H ILE A 77 10.500 -4.281 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 77 10.167 -6.464 0.553 1.00 0.00 H new ATOM 0 HB ILE A 77 8.290 -4.184 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.464 -3.332 0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.251 -3.070 1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.356 -4.613 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.187 -6.023 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.449 -6.006 2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.355 -3.845 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.067 -5.047 3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.299 -5.314 1.845 1.00 0.00 H new ATOM 1121 N ILE A 78 8.356 -7.828 -0.503 1.00 0.00 N ATOM 1122 CA ILE A 78 7.459 -8.738 -1.203 1.00 0.00 C ATOM 1123 C ILE A 78 6.088 -8.722 -0.553 1.00 0.00 C ATOM 1124 O ILE A 78 5.936 -9.125 0.591 1.00 0.00 O ATOM 1125 CB ILE A 78 7.986 -10.194 -1.232 1.00 0.00 C ATOM 1126 CG1 ILE A 78 9.209 -10.317 -2.142 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.901 -11.160 -1.687 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.500 -9.875 -1.497 1.00 0.00 C ATOM 0 H ILE A 78 8.690 -8.175 0.396 1.00 0.00 H new ATOM 0 HA ILE A 78 7.398 -8.385 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 78 8.280 -10.455 -0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.310 -11.355 -2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.042 -9.723 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.299 -12.175 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.057 -11.109 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.570 -10.889 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.320 -9.993 -2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.421 -8.828 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.693 -10.485 -0.614 1.00 0.00 H new ATOM 1140 N CYS A 79 5.102 -8.255 -1.286 1.00 0.00 N ATOM 1141 CA CYS A 79 3.736 -8.219 -0.798 1.00 0.00 C ATOM 1142 C CYS A 79 3.030 -9.516 -1.171 1.00 0.00 C ATOM 1143 O CYS A 79 3.263 -10.064 -2.251 1.00 0.00 O ATOM 1144 CB CYS A 79 3.010 -7.044 -1.429 1.00 0.00 C ATOM 1145 SG CYS A 79 3.472 -6.814 -3.161 1.00 0.00 S ATOM 0 H CYS A 79 5.220 -7.891 -2.232 1.00 0.00 H new ATOM 0 HA CYS A 79 3.736 -8.107 0.286 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.934 -7.203 -1.359 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.235 -6.136 -0.870 1.00 0.00 H new ATOM 0 HG CYS A 79 2.407 -6.866 -3.905 1.00 0.00 H new ATOM 1151 N THR A 80 2.183 -10.007 -0.285 1.00 0.00 N ATOM 1152 CA THR A 80 1.508 -11.266 -0.508 1.00 0.00 C ATOM 1153 C THR A 80 0.008 -11.175 -0.241 1.00 0.00 C ATOM 1154 O THR A 80 -0.429 -11.195 0.909 1.00 0.00 O ATOM 1155 CB THR A 80 2.094 -12.352 0.399 1.00 0.00 C ATOM 1156 OG1 THR A 80 3.451 -12.631 0.033 1.00 0.00 O ATOM 1157 CG2 THR A 80 1.250 -13.603 0.323 1.00 0.00 C ATOM 0 H THR A 80 1.948 -9.550 0.596 1.00 0.00 H new ATOM 0 HA THR A 80 1.660 -11.518 -1.558 1.00 0.00 H new ATOM 0 HB THR A 80 2.087 -11.993 1.428 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.055 -12.070 0.564 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.675 -14.369 0.972 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.234 -13.377 0.647 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.231 -13.967 -0.704 1.00 0.00 H new ATOM 1165 N CYS A 81 -0.774 -11.093 -1.297 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.215 -11.134 -1.173 1.00 0.00 C ATOM 1167 C CYS A 81 -2.692 -12.557 -1.437 1.00 0.00 C ATOM 1168 O CYS A 81 -2.213 -13.222 -2.356 1.00 0.00 O ATOM 1169 CB CYS A 81 -2.848 -10.136 -2.133 1.00 0.00 C ATOM 1170 SG CYS A 81 -2.213 -8.459 -1.927 1.00 0.00 S ATOM 0 H CYS A 81 -0.434 -10.997 -2.254 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.518 -10.851 -0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -2.670 -10.463 -3.158 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.928 -10.131 -1.983 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.075 -7.747 -1.264 1.00 0.00 H new ATOM 1176 N LYS A 82 -3.623 -13.021 -0.628 1.00 0.00 N ATOM 1177 CA LYS A 82 -3.948 -14.440 -0.573 1.00 0.00 C ATOM 1178 C LYS A 82 -5.386 -14.713 -1.019 1.00 0.00 C ATOM 1179 O LYS A 82 -6.077 -13.820 -1.498 1.00 0.00 O ATOM 1180 CB LYS A 82 -3.683 -14.960 0.839 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.224 -14.803 1.257 1.00 0.00 C ATOM 1182 CD LYS A 82 -1.944 -15.368 2.641 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.648 -14.582 3.733 1.00 0.00 C ATOM 1184 NZ LYS A 82 -2.193 -14.991 5.089 1.00 0.00 N ATOM 0 H LYS A 82 -4.172 -12.438 0.004 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.308 -14.976 -1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.319 -14.425 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.962 -16.012 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.586 -15.304 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.958 -13.746 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.266 -16.409 2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.870 -15.360 2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.461 -13.517 3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.725 -14.730 3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.696 -14.432 5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.394 -16.001 5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.170 -14.826 5.176 1.00 0.00 H new ATOM 1198 N GLU A 83 -5.820 -15.956 -0.886 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.146 -16.372 -1.344 1.00 0.00 C ATOM 1200 C GLU A 83 -8.280 -15.474 -0.823 1.00 0.00 C ATOM 1201 O GLU A 83 -9.131 -15.061 -1.612 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.397 -17.835 -0.969 1.00 0.00 C ATOM 1203 CG GLU A 83 -8.795 -18.324 -1.300 1.00 0.00 C ATOM 1204 CD GLU A 83 -8.970 -19.804 -1.036 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -8.994 -20.208 0.145 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -9.076 -20.572 -2.010 1.00 0.00 O ATOM 0 H GLU A 83 -5.272 -16.704 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.152 -16.267 -2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.671 -18.462 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.222 -17.961 0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.521 -17.765 -0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.010 -18.118 -2.349 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.322 -15.134 0.482 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.397 -14.296 1.033 1.00 0.00 C ATOM 1215 C PRO A 84 -9.335 -12.836 0.581 1.00 0.00 C ATOM 1216 O PRO A 84 -10.074 -11.998 1.101 1.00 0.00 O ATOM 1217 CB PRO A 84 -9.172 -14.374 2.543 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.725 -14.663 2.692 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.367 -15.542 1.533 1.00 0.00 C ATOM 0 HA PRO A 84 -10.372 -14.650 0.696 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.442 -13.438 3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.781 -15.157 2.994 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.139 -13.744 2.682 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.521 -15.161 3.640 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.335 -15.390 1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.472 -16.598 1.783 1.00 0.00 H new ATOM 1227 N THR A 85 -8.478 -12.519 -0.385 1.00 0.00 N ATOM 1228 CA THR A 85 -8.288 -11.124 -0.759 1.00 0.00 C ATOM 1229 C THR A 85 -8.709 -10.828 -2.208 1.00 0.00 C ATOM 1230 O THR A 85 -8.054 -11.256 -3.159 1.00 0.00 O ATOM 1231 CB THR A 85 -6.830 -10.644 -0.506 1.00 0.00 C ATOM 1232 OG1 THR A 85 -5.896 -11.332 -1.335 1.00 0.00 O ATOM 1233 CG2 THR A 85 -6.445 -10.842 0.953 1.00 0.00 C ATOM 0 H THR A 85 -7.918 -13.190 -0.910 1.00 0.00 H new ATOM 0 HA THR A 85 -8.952 -10.555 -0.108 1.00 0.00 H new ATOM 0 HB THR A 85 -6.796 -9.583 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.272 -12.196 -1.605 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.422 -10.500 1.109 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.120 -10.269 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.517 -11.899 1.208 1.00 0.00 H new ATOM 1241 N PRO A 86 -9.865 -10.131 -2.369 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.345 -9.594 -3.655 1.00 0.00 C ATOM 1243 C PRO A 86 -9.277 -8.962 -4.583 1.00 0.00 C ATOM 1244 O PRO A 86 -9.417 -9.058 -5.800 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.359 -8.541 -3.191 1.00 0.00 C ATOM 1246 CG PRO A 86 -11.995 -9.168 -2.005 1.00 0.00 C ATOM 1247 CD PRO A 86 -10.876 -9.896 -1.300 1.00 0.00 C ATOM 0 HA PRO A 86 -10.732 -10.394 -4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.871 -7.601 -2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.091 -8.319 -3.968 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.447 -8.417 -1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.789 -9.855 -2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.464 -9.300 -0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.222 -10.834 -0.866 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.225 -8.316 -4.050 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.247 -7.638 -4.931 1.00 0.00 C ATOM 1257 C ASN A 87 -5.935 -7.297 -4.230 1.00 0.00 C ATOM 1258 O ASN A 87 -5.817 -7.432 -3.027 1.00 0.00 O ATOM 1259 CB ASN A 87 -7.846 -6.353 -5.512 1.00 0.00 C ATOM 1260 CG ASN A 87 -6.970 -5.676 -6.555 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.309 -6.331 -7.358 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -6.944 -4.352 -6.524 1.00 0.00 N ATOM 0 H ASN A 87 -8.030 -8.247 -3.051 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.021 -8.349 -5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.812 -6.585 -5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.032 -5.652 -4.699 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.360 -3.838 -7.183 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.508 -3.847 -5.841 1.00 0.00 H new ATOM 1269 N ALA A 88 -4.954 -6.886 -5.035 1.00 0.00 N ATOM 1270 CA ALA A 88 -3.727 -6.248 -4.571 1.00 0.00 C ATOM 1271 C ALA A 88 -3.539 -4.934 -5.320 1.00 0.00 C ATOM 1272 O ALA A 88 -3.301 -4.929 -6.528 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.525 -7.149 -4.803 1.00 0.00 C ATOM 0 H ALA A 88 -4.994 -6.991 -6.049 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.808 -6.061 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.623 -6.650 -4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.661 -8.084 -4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.428 -7.360 -5.868 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.673 -3.825 -4.615 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.521 -2.517 -5.214 1.00 0.00 C ATOM 1281 C TYR A 89 -2.072 -2.111 -5.168 1.00 0.00 C ATOM 1282 O TYR A 89 -1.395 -2.361 -4.166 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.330 -1.491 -4.451 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.354 -0.769 -5.258 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -6.624 -1.259 -5.347 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -5.058 0.429 -5.889 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -7.591 -0.586 -6.042 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -6.018 1.115 -6.600 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.293 0.603 -6.674 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.271 1.281 -7.368 1.00 0.00 O ATOM 0 H TYR A 89 -3.889 -3.808 -3.618 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.872 -2.564 -6.245 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.829 -1.989 -3.620 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.647 -0.759 -4.020 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.870 -2.192 -4.862 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.058 0.831 -5.822 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.592 -0.987 -6.096 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.773 2.044 -7.094 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.892 2.100 -7.751 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.604 -1.483 -6.235 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.224 -1.034 -6.310 1.00 0.00 C ATOM 1302 C TYR A 90 0.714 -2.175 -5.955 1.00 0.00 C ATOM 1303 O TYR A 90 1.619 -2.031 -5.140 1.00 0.00 O ATOM 1304 CB TYR A 90 -0.014 0.196 -5.417 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.705 1.422 -5.971 1.00 0.00 C ATOM 1306 CD1 TYR A 90 -2.044 1.663 -5.707 1.00 0.00 C ATOM 1307 CD2 TYR A 90 -0.024 2.328 -6.779 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -2.689 2.767 -6.228 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -0.662 3.439 -7.300 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.995 3.653 -7.021 1.00 0.00 C ATOM 1311 OH TYR A 90 -2.636 4.753 -7.537 1.00 0.00 O ATOM 0 H TYR A 90 -2.162 -1.273 -7.063 1.00 0.00 H new ATOM 0 HA TYR A 90 0.006 -0.730 -7.331 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.393 -0.013 -4.417 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.053 0.395 -5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.593 0.974 -5.082 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.019 2.161 -7.003 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.734 2.935 -6.014 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.119 4.135 -7.922 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.005 5.277 -8.074 1.00 0.00 H new ATOM 1321 N GLU A 91 0.434 -3.323 -6.572 1.00 0.00 N ATOM 1322 CA GLU A 91 1.269 -4.519 -6.499 1.00 0.00 C ATOM 1323 C GLU A 91 1.159 -5.258 -5.164 1.00 0.00 C ATOM 1324 O GLU A 91 1.401 -6.463 -5.104 1.00 0.00 O ATOM 1325 CB GLU A 91 2.731 -4.166 -6.775 1.00 0.00 C ATOM 1326 CG GLU A 91 2.934 -3.157 -7.896 1.00 0.00 C ATOM 1327 CD GLU A 91 3.011 -3.794 -9.261 1.00 0.00 C ATOM 1328 OE1 GLU A 91 4.069 -4.373 -9.589 1.00 0.00 O ATOM 1329 OE2 GLU A 91 2.016 -3.725 -10.011 1.00 0.00 O ATOM 0 H GLU A 91 -0.398 -3.449 -7.149 1.00 0.00 H new ATOM 0 HA GLU A 91 0.895 -5.197 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.175 -3.770 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.272 -5.079 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.114 -2.439 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.851 -2.597 -7.711 1.00 0.00 H new ATOM 1336 N GLY A 92 0.756 -4.564 -4.117 1.00 0.00 N ATOM 1337 CA GLY A 92 0.893 -5.109 -2.777 1.00 0.00 C ATOM 1338 C GLY A 92 0.697 -4.083 -1.687 1.00 0.00 C ATOM 1339 O GLY A 92 0.813 -4.405 -0.508 1.00 0.00 O ATOM 0 H GLY A 92 0.337 -3.635 -4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.168 -5.912 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.883 -5.553 -2.673 1.00 0.00 H new ATOM 1343 N VAL A 93 0.396 -2.856 -2.070 1.00 0.00 N ATOM 1344 CA VAL A 93 0.304 -1.772 -1.106 1.00 0.00 C ATOM 1345 C VAL A 93 -1.068 -1.747 -0.457 1.00 0.00 C ATOM 1346 O VAL A 93 -1.222 -1.282 0.663 1.00 0.00 O ATOM 1347 CB VAL A 93 0.604 -0.407 -1.762 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.742 0.685 -0.722 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.857 -0.488 -2.614 1.00 0.00 C ATOM 0 H VAL A 93 0.212 -2.585 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 93 1.056 -1.952 -0.338 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.240 -0.154 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.953 1.633 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.186 0.769 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.559 0.440 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.052 0.484 -3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.704 -0.773 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.717 -1.233 -3.397 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.064 -2.250 -1.169 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.415 -2.356 -0.627 1.00 0.00 C ATOM 1361 C PHE A 94 -4.081 -3.539 -1.244 1.00 0.00 C ATOM 1362 O PHE A 94 -3.475 -4.273 -2.021 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.301 -1.142 -0.942 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.579 0.145 -1.013 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.784 0.415 -2.096 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.686 1.075 -0.008 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.103 1.583 -2.190 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -3.009 2.261 -0.093 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.212 2.515 -1.183 1.00 0.00 C ATOM 0 H PHE A 94 -1.965 -2.592 -2.125 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.308 -2.432 0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.805 -1.314 -1.893 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.076 -1.067 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.699 -0.315 -2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.306 0.870 0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.479 1.781 -3.049 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.101 2.995 0.694 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.670 3.447 -1.250 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.338 -3.690 -0.926 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.141 -4.713 -1.507 1.00 0.00 C ATOM 1381 C CYS A 95 -7.584 -4.221 -1.624 1.00 0.00 C ATOM 1382 O CYS A 95 -8.207 -3.901 -0.631 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.042 -5.939 -0.615 1.00 0.00 C ATOM 1384 SG CYS A 95 -4.390 -6.665 -0.492 1.00 0.00 S ATOM 0 H CYS A 95 -5.829 -3.101 -0.253 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.797 -4.967 -2.510 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.379 -5.669 0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.729 -6.698 -0.989 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.119 -6.918 0.754 1.00 0.00 H new ATOM 1390 N SER A 96 -8.098 -4.215 -2.843 1.00 0.00 N ATOM 1391 CA SER A 96 -9.452 -3.728 -3.176 1.00 0.00 C ATOM 1392 C SER A 96 -10.344 -4.838 -3.756 1.00 0.00 C ATOM 1393 O SER A 96 -9.930 -5.979 -3.818 1.00 0.00 O ATOM 1394 CB SER A 96 -9.372 -2.561 -4.139 1.00 0.00 C ATOM 1395 OG SER A 96 -8.959 -1.391 -3.461 1.00 0.00 O ATOM 0 H SER A 96 -7.584 -4.554 -3.656 1.00 0.00 H new ATOM 0 HA SER A 96 -9.912 -3.395 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.671 -2.791 -4.942 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.345 -2.396 -4.603 1.00 0.00 H new ATOM 0 HG SER A 96 -8.253 -0.946 -3.976 1.00 0.00 H new ATOM 1401 N SER A 97 -11.602 -4.525 -4.088 1.00 0.00 N ATOM 1402 CA SER A 97 -12.516 -5.518 -4.672 1.00 0.00 C ATOM 1403 C SER A 97 -12.128 -5.812 -6.123 1.00 0.00 C ATOM 1404 O SER A 97 -12.952 -5.716 -7.035 1.00 0.00 O ATOM 1405 CB SER A 97 -13.981 -5.037 -4.605 1.00 0.00 C ATOM 1406 OG SER A 97 -14.280 -4.076 -5.599 1.00 0.00 O ATOM 0 H SER A 97 -12.010 -3.598 -3.964 1.00 0.00 H new ATOM 0 HA SER A 97 -12.431 -6.434 -4.087 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.647 -5.892 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.176 -4.610 -3.621 1.00 0.00 H new ATOM 0 HG SER A 97 -14.124 -4.463 -6.486 1.00 0.00 H new ATOM 1412 N SER A 98 -10.865 -6.175 -6.315 1.00 0.00 N ATOM 1413 CA SER A 98 -10.279 -6.350 -7.643 1.00 0.00 C ATOM 1414 C SER A 98 -10.143 -5.004 -8.360 1.00 0.00 C ATOM 1415 O SER A 98 -9.033 -4.515 -8.566 1.00 0.00 O ATOM 1416 CB SER A 98 -11.093 -7.343 -8.474 1.00 0.00 C ATOM 1417 OG SER A 98 -10.501 -7.567 -9.742 1.00 0.00 O ATOM 0 H SER A 98 -10.214 -6.358 -5.551 1.00 0.00 H new ATOM 0 HA SER A 98 -9.278 -6.764 -7.521 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.174 -8.288 -7.937 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.106 -6.964 -8.606 1.00 0.00 H new ATOM 0 HG SER A 98 -11.044 -8.207 -10.248 1.00 0.00 H new ATOM 1423 N SER A 99 -11.260 -4.399 -8.727 1.00 0.00 N ATOM 1424 CA SER A 99 -11.248 -3.099 -9.379 1.00 0.00 C ATOM 1425 C SER A 99 -12.577 -2.395 -9.153 1.00 0.00 C ATOM 1426 O SER A 99 -12.577 -1.305 -8.547 1.00 0.00 O ATOM 1427 CB SER A 99 -10.967 -3.239 -10.879 1.00 0.00 C ATOM 1428 OG SER A 99 -9.711 -3.864 -11.110 1.00 0.00 O ATOM 1429 OXT SER A 99 -13.617 -2.960 -9.551 1.00 0.00 O ATOM 0 H SER A 99 -12.192 -4.789 -8.584 1.00 0.00 H new ATOM 0 HA SER A 99 -10.448 -2.501 -8.942 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.759 -3.824 -11.347 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.978 -2.255 -11.347 1.00 0.00 H new ATOM 0 HG SER A 99 -9.557 -3.943 -12.075 1.00 0.00 H new TER 1435 SER A 99