USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=37 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 -70:sc= 1.94 USER MOD Set 1.2: A 95 CYS SG : rot 136:sc= 0.541 USER MOD Set 2.1: A 87 ASN : amide:sc= -2.36! C(o=-1.8!,f=-2.4!) USER MOD Set 2.2: A 99 SER OG : rot 3:sc= 0.517 USER MOD Set 3.1: A 48 ASN :FLIP amide:sc= -0.0354 F(o=-6.7!,f=-5.1) USER MOD Set 3.2: A 73 ASN :FLIP amide:sc= -5.05! C(o=-5.9!,f=-5.1!) USER MOD Set 4.1: A 59 CYS SG : rot 28:sc= -6.13! USER MOD Set 4.2: A 79 CYS SG : rot 89:sc= -0.613 USER MOD Set 5.1: A 56 ASN : amide:sc= -2.51 K(o=-5.7,f=-12!) USER MOD Set 5.2: A 65 CYS SG : rot -127:sc= -3.2! USER MOD Set 6.1: A 32 CYS SG : rot 68:sc= 1.31 USER MOD Set 6.2: A 44 CYS SG : rot -86:sc= -6.53! USER MOD Set 6.3: A 55 ASN : amide:sc= -1.03 K(o=-6.3,f=-7.5) USER MOD Set 7.1: A 8 CYS SG : rot 8:sc= 2.16 USER MOD Set 7.2: A 20 CYS SG : rot 94:sc= 1.15 USER MOD Set 7.3: A 89 TYR OH : rot 88:sc= 1.36 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -156:sc= 1.27 (180deg=0.159) USER MOD Single : A 6 HIS : no HE2:sc= -5.42! C(o=-5.4!,f=-9.3!) USER MOD Single : A 11 THR OG1 : rot 20:sc= 0.625 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.44! X(o=-1.4!,f=-1.5) USER MOD Single : A 27 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 28 LYS NZ :NH3+ 141:sc= 1.23 (180deg=-0.634!) 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+ -163:sc= -0.0882 (180deg=-0.386) USER MOD Single : A 42 ASN : amide:sc= -0.024 K(o=-0.024,f=-1.2!) USER MOD Single : A 43 THR OG1 : rot -130:sc= -3.27! USER MOD Single : A 47 ASN : amide:sc= -3.47! C(o=-3.5!,f=-4.3!) USER MOD Single : A 49 ASN : amide:sc= -0.007 K(o=-0.007,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -40:sc= -3.55! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -2.23! C(o=-2.7!,f=-2.2!) USER MOD Single : A 67 ASN : amide:sc= -0.598 K(o=-0.6,f=-2.7) USER MOD Single : A 70 SER OG : rot 19:sc= 1.18 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= -2.23! (180deg=-2.8!) USER MOD Single : A 76 LYS NZ :NH3+ 137:sc= 1.05 (180deg=0.149) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.322 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -10:sc= 1.18 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -150:sc= -1.49 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 17:sc= 0.73 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.601 -11.409 6.805 1.00 0.00 N ATOM 2 CA GLY A 1 -7.452 -10.544 7.658 1.00 0.00 C ATOM 3 C GLY A 1 -8.819 -10.298 7.047 1.00 0.00 C ATOM 4 O GLY A 1 -9.619 -11.224 6.888 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.678 -11.549 7.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.065 -12.330 6.673 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.463 -10.955 5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.572 -11.008 8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.951 -9.589 7.818 1.00 0.00 H new ATOM 10 N VAL A 2 -9.080 -9.047 6.694 1.00 0.00 N ATOM 11 CA VAL A 2 -10.350 -8.650 6.112 1.00 0.00 C ATOM 12 C VAL A 2 -10.306 -8.754 4.590 1.00 0.00 C ATOM 13 O VAL A 2 -9.239 -8.905 3.992 1.00 0.00 O ATOM 14 CB VAL A 2 -10.711 -7.213 6.549 1.00 0.00 C ATOM 15 CG1 VAL A 2 -9.618 -6.250 6.144 1.00 0.00 C ATOM 16 CG2 VAL A 2 -12.057 -6.750 6.010 1.00 0.00 C ATOM 0 H VAL A 2 -8.416 -8.281 6.804 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.122 -9.329 6.474 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.798 -7.226 7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.887 -5.242 6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.682 -6.541 6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.497 -6.272 5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.255 -5.734 6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.039 -6.771 4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.842 -7.414 6.373 1.00 0.00 H new ATOM 26 N ASP A 3 -11.476 -8.679 3.994 1.00 0.00 N ATOM 27 CA ASP A 3 -11.646 -8.776 2.554 1.00 0.00 C ATOM 28 C ASP A 3 -11.504 -7.405 1.907 1.00 0.00 C ATOM 29 O ASP A 3 -12.267 -6.501 2.196 1.00 0.00 O ATOM 30 CB ASP A 3 -13.018 -9.358 2.203 1.00 0.00 C ATOM 31 CG ASP A 3 -13.102 -10.857 2.412 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.133 -11.301 3.579 1.00 0.00 O ATOM 33 OD2 ASP A 3 -13.151 -11.597 1.404 1.00 0.00 O ATOM 0 H ASP A 3 -12.351 -8.547 4.501 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.870 -9.440 2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.779 -8.870 2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.247 -9.129 1.162 1.00 0.00 H new ATOM 38 N PRO A 4 -10.478 -7.256 1.067 1.00 0.00 N ATOM 39 CA PRO A 4 -10.204 -6.086 0.206 1.00 0.00 C ATOM 40 C PRO A 4 -11.412 -5.352 -0.427 1.00 0.00 C ATOM 41 O PRO A 4 -11.227 -4.247 -0.905 1.00 0.00 O ATOM 42 CB PRO A 4 -9.415 -6.759 -0.918 1.00 0.00 C ATOM 43 CG PRO A 4 -8.661 -7.858 -0.279 1.00 0.00 C ATOM 44 CD PRO A 4 -9.367 -8.207 0.992 1.00 0.00 C ATOM 0 HA PRO A 4 -9.735 -5.295 0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.083 -7.140 -1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.741 -6.051 -1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.611 -8.723 -0.940 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.635 -7.552 -0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.726 -9.236 0.977 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.705 -8.113 1.853 1.00 0.00 H new ATOM 52 N LYS A 5 -12.614 -5.951 -0.433 1.00 0.00 N ATOM 53 CA LYS A 5 -13.884 -5.345 -0.975 1.00 0.00 C ATOM 54 C LYS A 5 -14.146 -3.863 -0.589 1.00 0.00 C ATOM 55 O LYS A 5 -15.197 -3.307 -0.903 1.00 0.00 O ATOM 56 CB LYS A 5 -15.053 -6.171 -0.456 1.00 0.00 C ATOM 57 CG LYS A 5 -14.939 -6.387 1.034 1.00 0.00 C ATOM 58 CD LYS A 5 -15.475 -5.220 1.844 1.00 0.00 C ATOM 59 CE LYS A 5 -16.984 -5.090 1.782 1.00 0.00 C ATOM 60 NZ LYS A 5 -17.441 -3.907 2.554 1.00 0.00 N ATOM 0 H LYS A 5 -12.754 -6.889 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.776 -5.356 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.991 -5.665 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.079 -7.134 -0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.482 -7.292 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.893 -6.552 1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.170 -5.338 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.023 -4.297 1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.304 -4.999 0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.448 -5.992 2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.430 -4.044 2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.844 -3.791 3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.370 -3.056 1.960 1.00 0.00 H new ATOM 74 N HIS A 6 -13.203 -3.266 0.095 1.00 0.00 N ATOM 75 CA HIS A 6 -13.281 -1.914 0.628 1.00 0.00 C ATOM 76 C HIS A 6 -13.395 -0.883 -0.483 1.00 0.00 C ATOM 77 O HIS A 6 -13.847 0.238 -0.251 1.00 0.00 O ATOM 78 CB HIS A 6 -12.000 -1.643 1.398 1.00 0.00 C ATOM 79 CG HIS A 6 -11.723 -2.550 2.543 1.00 0.00 C ATOM 80 ND1 HIS A 6 -10.874 -2.228 3.574 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.122 -3.803 2.770 1.00 0.00 C ATOM 82 CE1 HIS A 6 -10.765 -3.260 4.381 1.00 0.00 C ATOM 83 NE2 HIS A 6 -11.524 -4.233 3.923 1.00 0.00 N ATOM 0 H HIS A 6 -12.317 -3.723 0.309 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.164 -1.836 1.262 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.162 -1.702 0.703 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.033 -0.619 1.771 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -10.403 -1.331 3.694 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.798 -4.376 2.153 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.155 -3.302 5.271 1.00 0.00 H new ATOM 92 N VAL A 7 -12.970 -1.299 -1.677 1.00 0.00 N ATOM 93 CA VAL A 7 -12.944 -0.455 -2.898 1.00 0.00 C ATOM 94 C VAL A 7 -12.295 0.905 -2.678 1.00 0.00 C ATOM 95 O VAL A 7 -11.627 1.130 -1.676 1.00 0.00 O ATOM 96 CB VAL A 7 -14.361 -0.271 -3.509 1.00 0.00 C ATOM 97 CG1 VAL A 7 -15.072 -1.605 -3.603 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.203 0.722 -2.723 1.00 0.00 C ATOM 0 H VAL A 7 -12.626 -2.246 -1.838 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.322 -1.002 -3.607 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.230 0.138 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.063 -1.460 -4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.497 -2.280 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.168 -2.037 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.184 0.816 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.320 0.369 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.709 1.694 -2.717 1.00 0.00 H new ATOM 108 N CYS A 8 -12.395 1.761 -3.688 1.00 0.00 N ATOM 109 CA CYS A 8 -12.009 3.153 -3.552 1.00 0.00 C ATOM 110 C CYS A 8 -12.764 4.005 -4.559 1.00 0.00 C ATOM 111 O CYS A 8 -12.995 3.588 -5.693 1.00 0.00 O ATOM 112 CB CYS A 8 -10.498 3.322 -3.700 1.00 0.00 C ATOM 113 SG CYS A 8 -9.882 3.289 -5.399 1.00 0.00 S ATOM 0 H CYS A 8 -12.743 1.510 -4.613 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.275 3.491 -2.550 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.208 4.269 -3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.003 2.531 -3.136 1.00 0.00 H new ATOM 0 HG CYS A 8 -10.886 3.287 -6.225 1.00 0.00 H new ATOM 119 N VAL A 9 -13.162 5.196 -4.136 1.00 0.00 N ATOM 120 CA VAL A 9 -14.016 6.042 -4.959 1.00 0.00 C ATOM 121 C VAL A 9 -13.444 7.449 -5.105 1.00 0.00 C ATOM 122 O VAL A 9 -13.286 7.960 -6.213 1.00 0.00 O ATOM 123 CB VAL A 9 -15.436 6.148 -4.357 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.330 7.027 -5.220 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.055 4.769 -4.172 1.00 0.00 C ATOM 0 H VAL A 9 -12.909 5.597 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.065 5.573 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.347 6.614 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.323 7.085 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.903 8.028 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.405 6.599 -6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.053 4.872 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.122 4.268 -5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.434 4.179 -3.499 1.00 0.00 H new ATOM 135 N ASP A 10 -13.122 8.061 -3.976 1.00 0.00 N ATOM 136 CA ASP A 10 -12.754 9.476 -3.950 1.00 0.00 C ATOM 137 C ASP A 10 -11.251 9.644 -3.821 1.00 0.00 C ATOM 138 O ASP A 10 -10.591 10.121 -4.746 1.00 0.00 O ATOM 139 CB ASP A 10 -13.474 10.179 -2.798 1.00 0.00 C ATOM 140 CG ASP A 10 -13.006 11.605 -2.600 1.00 0.00 C ATOM 141 OD1 ASP A 10 -13.563 12.511 -3.247 1.00 0.00 O ATOM 142 OD2 ASP A 10 -12.090 11.818 -1.777 1.00 0.00 O ATOM 0 H ASP A 10 -13.107 7.604 -3.064 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.061 9.932 -4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.547 10.176 -2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.314 9.617 -1.878 1.00 0.00 H new ATOM 147 N THR A 11 -10.726 9.247 -2.671 1.00 0.00 N ATOM 148 CA THR A 11 -9.290 9.220 -2.420 1.00 0.00 C ATOM 149 C THR A 11 -8.604 10.557 -2.737 1.00 0.00 C ATOM 150 O THR A 11 -7.591 10.602 -3.429 1.00 0.00 O ATOM 151 CB THR A 11 -8.625 8.044 -3.175 1.00 0.00 C ATOM 152 OG1 THR A 11 -8.915 8.087 -4.581 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.128 6.730 -2.594 1.00 0.00 C ATOM 0 H THR A 11 -11.287 8.932 -1.880 1.00 0.00 H new ATOM 0 HA THR A 11 -9.156 9.060 -1.350 1.00 0.00 H new ATOM 0 HB THR A 11 -7.545 8.126 -3.052 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.189 8.994 -4.831 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.663 5.897 -3.122 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.871 6.678 -1.536 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.211 6.673 -2.708 1.00 0.00 H new ATOM 161 N ARG A 12 -9.174 11.648 -2.222 1.00 0.00 N ATOM 162 CA ARG A 12 -8.547 12.963 -2.330 1.00 0.00 C ATOM 163 C ARG A 12 -7.539 13.163 -1.206 1.00 0.00 C ATOM 164 O ARG A 12 -6.635 13.991 -1.299 1.00 0.00 O ATOM 165 CB ARG A 12 -9.591 14.070 -2.273 1.00 0.00 C ATOM 166 CG ARG A 12 -10.504 14.104 -3.476 1.00 0.00 C ATOM 167 CD ARG A 12 -11.582 15.160 -3.312 1.00 0.00 C ATOM 168 NE ARG A 12 -12.505 15.187 -4.439 1.00 0.00 N ATOM 169 CZ ARG A 12 -13.290 16.221 -4.730 1.00 0.00 C ATOM 170 NH1 ARG A 12 -13.257 17.319 -3.981 1.00 0.00 N ATOM 171 NH2 ARG A 12 -14.108 16.154 -5.767 1.00 0.00 N ATOM 0 H ARG A 12 -10.066 11.645 -1.728 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.035 13.010 -3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.194 13.943 -1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.085 15.031 -2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.921 14.311 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.966 13.126 -3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.138 14.969 -2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.115 16.139 -3.204 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.552 14.365 -5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.628 17.371 -3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.861 18.109 -4.208 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.136 15.311 -6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.711 16.945 -5.993 1.00 0.00 H new ATOM 185 N ASP A 13 -7.720 12.393 -0.140 1.00 0.00 N ATOM 186 CA ASP A 13 -6.817 12.412 1.014 1.00 0.00 C ATOM 187 C ASP A 13 -5.518 11.706 0.656 1.00 0.00 C ATOM 188 O ASP A 13 -4.554 11.710 1.416 1.00 0.00 O ATOM 189 CB ASP A 13 -7.478 11.692 2.197 1.00 0.00 C ATOM 190 CG ASP A 13 -6.802 11.974 3.525 1.00 0.00 C ATOM 191 OD1 ASP A 13 -6.887 13.125 4.008 1.00 0.00 O ATOM 192 OD2 ASP A 13 -6.214 11.043 4.109 1.00 0.00 O ATOM 0 H ASP A 13 -8.495 11.737 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.606 13.445 1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.524 11.993 2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.466 10.618 2.012 1.00 0.00 H new ATOM 197 N ILE A 14 -5.516 11.120 -0.533 1.00 0.00 N ATOM 198 CA ILE A 14 -4.450 10.245 -0.984 1.00 0.00 C ATOM 199 C ILE A 14 -3.329 11.055 -1.658 1.00 0.00 C ATOM 200 O ILE A 14 -3.507 11.621 -2.738 1.00 0.00 O ATOM 201 CB ILE A 14 -5.023 9.164 -1.947 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.793 8.063 -1.176 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.913 8.528 -2.781 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.847 8.552 -0.194 1.00 0.00 C ATOM 0 H ILE A 14 -6.263 11.242 -1.217 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.017 9.741 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.722 9.670 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.276 7.409 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.071 7.456 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.341 7.777 -3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.418 9.297 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.186 8.056 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.321 7.696 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.376 9.179 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.600 9.132 -0.728 1.00 0.00 H new ATOM 216 N PRO A 15 -2.177 11.150 -0.978 1.00 0.00 N ATOM 217 CA PRO A 15 -0.999 11.897 -1.447 1.00 0.00 C ATOM 218 C PRO A 15 -0.275 11.254 -2.629 1.00 0.00 C ATOM 219 O PRO A 15 -0.718 10.248 -3.184 1.00 0.00 O ATOM 220 CB PRO A 15 -0.064 11.907 -0.240 1.00 0.00 C ATOM 221 CG PRO A 15 -0.863 11.411 0.909 1.00 0.00 C ATOM 222 CD PRO A 15 -1.954 10.565 0.341 1.00 0.00 C ATOM 0 HA PRO A 15 -1.304 12.880 -1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.803 11.270 -0.414 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.312 12.912 -0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.241 10.833 1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.276 12.242 1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.658 9.518 0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.854 10.602 0.955 1.00 0.00 H new ATOM 230 N LYS A 16 0.858 11.852 -2.994 1.00 0.00 N ATOM 231 CA LYS A 16 1.685 11.351 -4.087 1.00 0.00 C ATOM 232 C LYS A 16 2.506 10.148 -3.633 1.00 0.00 C ATOM 233 O LYS A 16 2.697 9.928 -2.434 1.00 0.00 O ATOM 234 CB LYS A 16 2.624 12.437 -4.615 1.00 0.00 C ATOM 235 CG LYS A 16 3.943 12.485 -3.883 1.00 0.00 C ATOM 236 CD LYS A 16 4.886 13.520 -4.468 1.00 0.00 C ATOM 237 CE LYS A 16 5.179 13.256 -5.935 1.00 0.00 C ATOM 238 NZ LYS A 16 6.190 14.202 -6.474 1.00 0.00 N ATOM 0 H LYS A 16 1.225 12.690 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 16 1.014 11.048 -4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.810 12.265 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.133 13.406 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.765 12.711 -2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.414 11.503 -3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.449 14.512 -4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.820 13.519 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.537 12.234 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.258 13.342 -6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.363 13.990 -7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.838 15.176 -6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.077 14.103 -5.941 1.00 0.00 H new ATOM 252 N ASN A 17 3.024 9.414 -4.618 1.00 0.00 N ATOM 253 CA ASN A 17 3.678 8.105 -4.416 1.00 0.00 C ATOM 254 C ASN A 17 2.851 7.188 -3.520 1.00 0.00 C ATOM 255 O ASN A 17 3.357 6.201 -2.974 1.00 0.00 O ATOM 256 CB ASN A 17 5.085 8.251 -3.834 1.00 0.00 C ATOM 257 CG ASN A 17 5.981 9.134 -4.679 1.00 0.00 C ATOM 258 OD1 ASN A 17 6.455 8.731 -5.742 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.265 10.322 -4.175 1.00 0.00 N ATOM 0 H ASN A 17 3.005 9.709 -5.594 1.00 0.00 H new ATOM 0 HA ASN A 17 3.755 7.652 -5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.016 8.667 -2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.539 7.264 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.901 10.947 -4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.848 10.614 -3.291 1.00 0.00 H new ATOM 266 N ALA A 18 1.584 7.515 -3.377 1.00 0.00 N ATOM 267 CA ALA A 18 0.695 6.772 -2.518 1.00 0.00 C ATOM 268 C ALA A 18 -0.443 6.191 -3.335 1.00 0.00 C ATOM 269 O ALA A 18 -0.988 6.845 -4.225 1.00 0.00 O ATOM 270 CB ALA A 18 0.169 7.672 -1.398 1.00 0.00 C ATOM 0 H ALA A 18 1.145 8.303 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 18 1.241 5.948 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.501 7.100 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.006 8.045 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.373 8.513 -1.831 1.00 0.00 H new ATOM 276 N GLY A 19 -0.769 4.949 -3.047 1.00 0.00 N ATOM 277 CA GLY A 19 -1.863 4.292 -3.723 1.00 0.00 C ATOM 278 C GLY A 19 -3.188 4.660 -3.088 1.00 0.00 C ATOM 279 O GLY A 19 -3.220 5.114 -1.943 1.00 0.00 O ATOM 0 H GLY A 19 -0.292 4.376 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.868 4.575 -4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.724 3.212 -3.684 1.00 0.00 H new ATOM 283 N CYS A 20 -4.275 4.485 -3.808 1.00 0.00 N ATOM 284 CA CYS A 20 -5.564 4.901 -3.304 1.00 0.00 C ATOM 285 C CYS A 20 -6.372 3.707 -2.796 1.00 0.00 C ATOM 286 O CYS A 20 -6.396 2.648 -3.426 1.00 0.00 O ATOM 287 CB CYS A 20 -6.316 5.644 -4.404 1.00 0.00 C ATOM 288 SG CYS A 20 -6.640 4.644 -5.874 1.00 0.00 S ATOM 0 H CYS A 20 -4.292 4.061 -4.736 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.415 5.570 -2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.265 6.002 -4.004 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.740 6.523 -4.694 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.819 4.104 -5.780 1.00 0.00 H new ATOM 294 N PHE A 21 -7.010 3.877 -1.643 1.00 0.00 N ATOM 295 CA PHE A 21 -7.789 2.814 -1.027 1.00 0.00 C ATOM 296 C PHE A 21 -8.936 3.408 -0.214 1.00 0.00 C ATOM 297 O PHE A 21 -8.911 4.578 0.130 1.00 0.00 O ATOM 298 CB PHE A 21 -6.876 1.971 -0.138 1.00 0.00 C ATOM 299 CG PHE A 21 -7.516 0.750 0.460 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.076 -0.234 -0.345 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.533 0.577 1.833 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.639 -1.365 0.219 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.094 -0.548 2.395 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.643 -1.517 1.587 1.00 0.00 C ATOM 0 H PHE A 21 -7.001 4.749 -1.114 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.217 2.177 -1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.012 1.659 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.502 2.599 0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.072 -0.115 -1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.101 1.333 2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.074 -2.126 -0.412 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.103 -0.670 3.468 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.079 -2.401 2.028 1.00 0.00 H new ATOM 314 N ARG A 22 -9.983 2.637 -0.016 1.00 0.00 N ATOM 315 CA ARG A 22 -11.042 2.985 0.914 1.00 0.00 C ATOM 316 C ARG A 22 -11.161 1.860 1.913 1.00 0.00 C ATOM 317 O ARG A 22 -10.823 0.745 1.582 1.00 0.00 O ATOM 318 CB ARG A 22 -12.366 3.175 0.184 1.00 0.00 C ATOM 319 CG ARG A 22 -13.403 3.904 1.004 1.00 0.00 C ATOM 320 CD ARG A 22 -14.135 4.922 0.155 1.00 0.00 C ATOM 321 NE ARG A 22 -15.019 5.773 0.943 1.00 0.00 N ATOM 322 CZ ARG A 22 -15.911 6.606 0.418 1.00 0.00 C ATOM 323 NH1 ARG A 22 -16.123 6.617 -0.894 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.614 7.406 1.206 1.00 0.00 N ATOM 0 H ARG A 22 -10.127 1.748 -0.495 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.804 3.924 1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.188 3.728 -0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.759 2.199 -0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.114 3.190 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.924 4.402 1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.409 5.544 -0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.718 4.404 -0.606 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.948 5.726 1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.600 5.985 -1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.808 7.257 -1.295 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.470 7.382 2.216 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.299 8.046 0.803 1.00 0.00 H new ATOM 338 N ASP A 23 -11.536 2.140 3.146 1.00 0.00 N ATOM 339 CA ASP A 23 -11.710 1.066 4.119 1.00 0.00 C ATOM 340 C ASP A 23 -13.198 0.770 4.339 1.00 0.00 C ATOM 341 O ASP A 23 -14.052 1.528 3.874 1.00 0.00 O ATOM 342 CB ASP A 23 -11.028 1.443 5.435 1.00 0.00 C ATOM 343 CG ASP A 23 -11.137 0.355 6.474 1.00 0.00 C ATOM 344 OD1 ASP A 23 -10.556 -0.727 6.265 1.00 0.00 O ATOM 345 OD2 ASP A 23 -11.830 0.567 7.486 1.00 0.00 O ATOM 0 H ASP A 23 -11.724 3.079 3.498 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.244 0.160 3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.976 1.657 5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.475 2.358 5.823 1.00 0.00 H new ATOM 350 N ASP A 24 -13.511 -0.330 5.032 1.00 0.00 N ATOM 351 CA ASP A 24 -14.903 -0.686 5.335 1.00 0.00 C ATOM 352 C ASP A 24 -15.561 0.398 6.171 1.00 0.00 C ATOM 353 O ASP A 24 -16.775 0.605 6.108 1.00 0.00 O ATOM 354 CB ASP A 24 -14.993 -2.018 6.088 1.00 0.00 C ATOM 355 CG ASP A 24 -14.645 -3.209 5.226 1.00 0.00 C ATOM 356 OD1 ASP A 24 -15.335 -3.432 4.211 1.00 0.00 O ATOM 357 OD2 ASP A 24 -13.683 -3.928 5.567 1.00 0.00 O ATOM 0 H ASP A 24 -12.821 -0.989 5.393 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.423 -0.785 4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.322 -1.990 6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.004 -2.141 6.477 1.00 0.00 H new ATOM 362 N ASP A 25 -14.742 1.109 6.931 1.00 0.00 N ATOM 363 CA ASP A 25 -15.215 2.191 7.780 1.00 0.00 C ATOM 364 C ASP A 25 -15.792 3.321 6.933 1.00 0.00 C ATOM 365 O ASP A 25 -16.613 4.112 7.395 1.00 0.00 O ATOM 366 CB ASP A 25 -14.047 2.711 8.626 1.00 0.00 C ATOM 367 CG ASP A 25 -14.417 3.898 9.489 1.00 0.00 C ATOM 368 OD1 ASP A 25 -14.881 3.688 10.628 1.00 0.00 O ATOM 369 OD2 ASP A 25 -14.231 5.048 9.034 1.00 0.00 O ATOM 0 H ASP A 25 -13.735 0.953 6.977 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.004 1.817 8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.682 1.906 9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.226 2.992 7.966 1.00 0.00 H new ATOM 374 N GLY A 26 -15.384 3.365 5.675 1.00 0.00 N ATOM 375 CA GLY A 26 -15.799 4.435 4.797 1.00 0.00 C ATOM 376 C GLY A 26 -14.674 5.412 4.579 1.00 0.00 C ATOM 377 O GLY A 26 -14.658 6.158 3.600 1.00 0.00 O ATOM 0 H GLY A 26 -14.769 2.674 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.120 4.023 3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.658 4.951 5.226 1.00 0.00 H new ATOM 381 N THR A 27 -13.722 5.386 5.497 1.00 0.00 N ATOM 382 CA THR A 27 -12.551 6.230 5.414 1.00 0.00 C ATOM 383 C THR A 27 -11.678 5.830 4.239 1.00 0.00 C ATOM 384 O THR A 27 -11.362 4.655 4.057 1.00 0.00 O ATOM 385 CB THR A 27 -11.739 6.167 6.721 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.537 6.644 7.816 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.463 6.991 6.620 1.00 0.00 C ATOM 0 H THR A 27 -13.743 4.780 6.317 1.00 0.00 H new ATOM 0 HA THR A 27 -12.889 7.255 5.262 1.00 0.00 H new ATOM 0 HB THR A 27 -11.461 5.127 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.061 5.903 8.186 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.913 6.926 7.559 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.845 6.606 5.809 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.717 8.032 6.420 1.00 0.00 H new ATOM 395 N LYS A 28 -11.315 6.808 3.428 1.00 0.00 N ATOM 396 CA LYS A 28 -10.431 6.562 2.307 1.00 0.00 C ATOM 397 C LYS A 28 -9.003 6.564 2.812 1.00 0.00 C ATOM 398 O LYS A 28 -8.568 7.509 3.470 1.00 0.00 O ATOM 399 CB LYS A 28 -10.597 7.627 1.224 1.00 0.00 C ATOM 400 CG LYS A 28 -12.023 8.122 1.081 1.00 0.00 C ATOM 401 CD LYS A 28 -12.061 9.537 0.535 1.00 0.00 C ATOM 402 CE LYS A 28 -13.367 10.242 0.884 1.00 0.00 C ATOM 403 NZ LYS A 28 -13.312 11.700 0.582 1.00 0.00 N ATOM 0 H LYS A 28 -11.619 7.777 3.526 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.680 5.598 1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.948 8.472 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.264 7.219 0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.576 7.458 0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.521 8.090 2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.222 10.105 0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.939 9.512 -0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.185 9.787 0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.585 10.099 1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.226 12.009 0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.111 12.228 1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.560 11.882 -0.113 1.00 0.00 H new ATOM 417 N GLU A 29 -8.290 5.505 2.526 1.00 0.00 N ATOM 418 CA GLU A 29 -6.939 5.358 2.999 1.00 0.00 C ATOM 419 C GLU A 29 -5.933 5.518 1.891 1.00 0.00 C ATOM 420 O GLU A 29 -6.259 5.488 0.703 1.00 0.00 O ATOM 421 CB GLU A 29 -6.722 3.998 3.623 1.00 0.00 C ATOM 422 CG GLU A 29 -7.510 3.769 4.889 1.00 0.00 C ATOM 423 CD GLU A 29 -7.045 2.537 5.635 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.281 1.409 5.152 1.00 0.00 O ATOM 425 OE2 GLU A 29 -6.419 2.694 6.706 1.00 0.00 O ATOM 0 H GLU A 29 -8.628 4.725 1.962 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.795 6.144 3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.990 3.230 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.661 3.875 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.416 4.641 5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.567 3.666 4.644 1.00 0.00 H new ATOM 432 N TRP A 30 -4.703 5.656 2.313 1.00 0.00 N ATOM 433 CA TRP A 30 -3.578 5.701 1.425 1.00 0.00 C ATOM 434 C TRP A 30 -2.394 5.063 2.105 1.00 0.00 C ATOM 435 O TRP A 30 -2.275 5.075 3.332 1.00 0.00 O ATOM 436 CB TRP A 30 -3.238 7.128 1.038 1.00 0.00 C ATOM 437 CG TRP A 30 -3.075 8.019 2.218 1.00 0.00 C ATOM 438 CD1 TRP A 30 -4.071 8.554 2.973 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.845 8.473 2.789 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.533 9.342 3.957 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.180 9.307 3.865 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.495 8.276 2.487 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.230 9.934 4.645 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.451 8.899 3.268 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.073 9.724 4.333 1.00 0.00 C ATOM 0 H TRP A 30 -4.454 5.741 3.299 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.830 5.158 0.514 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.317 7.132 0.454 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.025 7.523 0.395 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.127 8.384 2.820 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.065 9.871 4.648 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.201 7.649 1.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.513 10.568 5.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.499 8.749 3.056 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.839 10.206 4.922 1.00 0.00 H new ATOM 456 N ARG A 31 -1.543 4.498 1.303 1.00 0.00 N ATOM 457 CA ARG A 31 -0.357 3.834 1.768 1.00 0.00 C ATOM 458 C ARG A 31 0.763 4.197 0.852 1.00 0.00 C ATOM 459 O ARG A 31 0.548 4.772 -0.215 1.00 0.00 O ATOM 460 CB ARG A 31 -0.544 2.317 1.828 1.00 0.00 C ATOM 461 CG ARG A 31 -1.595 1.909 2.832 1.00 0.00 C ATOM 462 CD ARG A 31 -1.928 0.436 2.773 1.00 0.00 C ATOM 463 NE ARG A 31 -2.829 0.047 3.861 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.124 0.377 3.922 1.00 0.00 C ATOM 465 NH1 ARG A 31 -4.678 1.092 2.956 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.868 -0.001 4.952 1.00 0.00 N ATOM 0 H ARG A 31 -1.653 4.484 0.289 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.134 4.158 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.825 1.948 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.404 1.846 2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.247 2.157 3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.502 2.488 2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.392 0.205 1.814 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.010 -0.149 2.832 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.443 -0.512 4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.117 1.394 2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.666 1.341 3.008 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.454 -0.548 5.707 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.855 0.255 4.990 1.00 0.00 H new ATOM 480 N CYS A 32 1.936 3.838 1.241 1.00 0.00 N ATOM 481 CA CYS A 32 3.107 4.263 0.540 1.00 0.00 C ATOM 482 C CYS A 32 3.629 3.064 -0.181 1.00 0.00 C ATOM 483 O CYS A 32 3.798 2.007 0.411 1.00 0.00 O ATOM 484 CB CYS A 32 4.142 4.784 1.530 1.00 0.00 C ATOM 485 SG CYS A 32 3.505 5.025 3.206 1.00 0.00 S ATOM 0 H CYS A 32 2.116 3.244 2.050 1.00 0.00 H new ATOM 0 HA CYS A 32 2.884 5.069 -0.159 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.977 4.085 1.567 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.536 5.732 1.163 1.00 0.00 H new ATOM 0 HG CYS A 32 3.229 3.870 3.736 1.00 0.00 H new ATOM 491 N LEU A 33 3.780 3.253 -1.482 1.00 0.00 N ATOM 492 CA LEU A 33 4.089 2.196 -2.432 1.00 0.00 C ATOM 493 C LEU A 33 5.184 1.245 -1.964 1.00 0.00 C ATOM 494 O LEU A 33 5.849 1.485 -0.971 1.00 0.00 O ATOM 495 CB LEU A 33 4.459 2.845 -3.749 1.00 0.00 C ATOM 496 CG LEU A 33 3.383 2.744 -4.820 1.00 0.00 C ATOM 497 CD1 LEU A 33 1.999 2.944 -4.216 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.631 3.777 -5.895 1.00 0.00 C ATOM 0 H LEU A 33 3.689 4.170 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 33 3.204 1.569 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.682 3.897 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.373 2.384 -4.124 1.00 0.00 H new ATOM 0 HG LEU A 33 3.425 1.748 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.245 2.868 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.817 2.178 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.943 3.929 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.857 3.700 -6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.608 4.774 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.607 3.604 -6.348 1.00 0.00 H new ATOM 510 N LEU A 34 5.368 0.162 -2.697 1.00 0.00 N ATOM 511 CA LEU A 34 6.293 -0.880 -2.288 1.00 0.00 C ATOM 512 C LEU A 34 7.694 -0.334 -2.096 1.00 0.00 C ATOM 513 O LEU A 34 8.325 0.151 -3.032 1.00 0.00 O ATOM 514 CB LEU A 34 6.279 -2.013 -3.303 1.00 0.00 C ATOM 515 CG LEU A 34 4.900 -2.623 -3.515 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.981 -3.835 -4.409 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.280 -2.991 -2.184 1.00 0.00 C ATOM 0 H LEU A 34 4.889 -0.019 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 34 5.967 -1.270 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.653 -1.640 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.966 -2.793 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 34 4.269 -1.881 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.984 -4.253 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.389 -3.546 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.628 -4.583 -3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.294 -3.426 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.915 -3.715 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.183 -2.097 -1.568 1.00 0.00 H new ATOM 529 N GLY A 35 8.155 -0.397 -0.860 1.00 0.00 N ATOM 530 CA GLY A 35 9.462 0.119 -0.523 1.00 0.00 C ATOM 531 C GLY A 35 9.475 1.623 -0.326 1.00 0.00 C ATOM 532 O GLY A 35 10.531 2.229 -0.221 1.00 0.00 O ATOM 0 H GLY A 35 7.642 -0.801 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.813 -0.364 0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.165 -0.144 -1.313 1.00 0.00 H new ATOM 536 N TYR A 36 8.303 2.226 -0.298 1.00 0.00 N ATOM 537 CA TYR A 36 8.166 3.654 -0.048 1.00 0.00 C ATOM 538 C TYR A 36 7.946 3.946 1.437 1.00 0.00 C ATOM 539 O TYR A 36 7.895 3.030 2.262 1.00 0.00 O ATOM 540 CB TYR A 36 6.992 4.202 -0.850 1.00 0.00 C ATOM 541 CG TYR A 36 7.253 4.338 -2.333 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.696 3.270 -3.103 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.052 5.550 -2.958 1.00 0.00 C ATOM 544 CE1 TYR A 36 7.920 3.412 -4.458 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.267 5.708 -4.306 1.00 0.00 C ATOM 546 CZ TYR A 36 7.706 4.635 -5.058 1.00 0.00 C ATOM 547 OH TYR A 36 7.913 4.772 -6.414 1.00 0.00 O ATOM 0 H TYR A 36 7.417 1.743 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 36 9.092 4.140 -0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.132 3.548 -0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.721 5.179 -0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.868 2.313 -2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.718 6.395 -2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.260 2.571 -5.044 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.094 6.665 -4.775 1.00 0.00 H new ATOM 0 HH TYR A 36 7.718 5.694 -6.683 1.00 0.00 H new ATOM 557 N LYS A 37 7.808 5.229 1.765 1.00 0.00 N ATOM 558 CA LYS A 37 7.628 5.672 3.146 1.00 0.00 C ATOM 559 C LYS A 37 7.097 7.105 3.157 1.00 0.00 C ATOM 560 O LYS A 37 7.204 7.806 2.157 1.00 0.00 O ATOM 561 CB LYS A 37 8.964 5.619 3.890 1.00 0.00 C ATOM 562 CG LYS A 37 9.918 6.749 3.527 1.00 0.00 C ATOM 563 CD LYS A 37 11.264 6.573 4.203 1.00 0.00 C ATOM 564 CE LYS A 37 12.197 7.732 3.911 1.00 0.00 C ATOM 565 NZ LYS A 37 13.584 7.435 4.350 1.00 0.00 N ATOM 0 H LYS A 37 7.818 5.988 1.084 1.00 0.00 H new ATOM 0 HA LYS A 37 6.915 5.013 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.773 5.649 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.449 4.666 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.053 6.780 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.483 7.704 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.121 6.484 5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.722 5.644 3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.190 7.946 2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.837 8.627 4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.197 8.247 4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.593 7.255 5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.935 6.595 3.847 1.00 0.00 H new ATOM 579 N LYS A 38 6.513 7.535 4.267 1.00 0.00 N ATOM 580 CA LYS A 38 6.080 8.918 4.398 1.00 0.00 C ATOM 581 C LYS A 38 7.266 9.860 4.543 1.00 0.00 C ATOM 582 O LYS A 38 8.077 9.720 5.463 1.00 0.00 O ATOM 583 CB LYS A 38 5.144 9.064 5.579 1.00 0.00 C ATOM 584 CG LYS A 38 3.980 8.116 5.475 1.00 0.00 C ATOM 585 CD LYS A 38 2.679 8.781 5.796 1.00 0.00 C ATOM 586 CE LYS A 38 2.547 9.115 7.274 1.00 0.00 C ATOM 587 NZ LYS A 38 2.651 7.905 8.135 1.00 0.00 N ATOM 0 H LYS A 38 6.330 6.951 5.083 1.00 0.00 H new ATOM 0 HA LYS A 38 5.548 9.191 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.689 8.874 6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.777 10.089 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.937 7.705 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.135 7.278 6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.587 9.696 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.858 8.129 5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.324 9.827 7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.588 9.603 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.277 8.119 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.101 7.130 7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.648 7.619 8.213 1.00 0.00 H new ATOM 601 N GLY A 39 7.359 10.823 3.636 1.00 0.00 N ATOM 602 CA GLY A 39 8.482 11.736 3.644 1.00 0.00 C ATOM 603 C GLY A 39 8.066 13.191 3.691 1.00 0.00 C ATOM 604 O GLY A 39 8.515 13.940 4.554 1.00 0.00 O ATOM 0 H GLY A 39 6.677 10.987 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.114 11.517 4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.087 11.566 2.753 1.00 0.00 H new ATOM 608 N GLU A 40 7.199 13.584 2.768 1.00 0.00 N ATOM 609 CA GLU A 40 6.824 14.989 2.606 1.00 0.00 C ATOM 610 C GLU A 40 6.074 15.515 3.833 1.00 0.00 C ATOM 611 O GLU A 40 6.406 16.567 4.386 1.00 0.00 O ATOM 612 CB GLU A 40 5.935 15.148 1.372 1.00 0.00 C ATOM 613 CG GLU A 40 6.356 14.290 0.188 1.00 0.00 C ATOM 614 CD GLU A 40 7.634 14.778 -0.457 1.00 0.00 C ATOM 615 OE1 GLU A 40 8.719 14.510 0.089 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.553 15.432 -1.516 1.00 0.00 O ATOM 0 H GLU A 40 6.738 12.949 2.116 1.00 0.00 H new ATOM 0 HA GLU A 40 7.741 15.566 2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.909 14.897 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.938 16.195 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.491 13.260 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.558 14.284 -0.554 1.00 0.00 H new ATOM 623 N GLY A 41 5.073 14.757 4.250 1.00 0.00 N ATOM 624 CA GLY A 41 4.180 15.177 5.315 1.00 0.00 C ATOM 625 C GLY A 41 2.759 14.800 4.970 1.00 0.00 C ATOM 626 O GLY A 41 2.072 15.537 4.260 1.00 0.00 O ATOM 0 H GLY A 41 4.858 13.839 3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.473 14.707 6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.255 16.255 5.461 1.00 0.00 H new ATOM 630 N ASN A 42 2.319 13.651 5.478 1.00 0.00 N ATOM 631 CA ASN A 42 1.139 12.980 4.954 1.00 0.00 C ATOM 632 C ASN A 42 1.324 12.778 3.464 1.00 0.00 C ATOM 633 O ASN A 42 0.587 13.336 2.653 1.00 0.00 O ATOM 634 CB ASN A 42 -0.138 13.777 5.211 1.00 0.00 C ATOM 635 CG ASN A 42 -0.582 13.754 6.657 1.00 0.00 C ATOM 636 OD1 ASN A 42 -0.260 12.832 7.409 1.00 0.00 O ATOM 637 ND2 ASN A 42 -1.353 14.756 7.049 1.00 0.00 N ATOM 0 H ASN A 42 2.767 13.166 6.256 1.00 0.00 H new ATOM 0 HA ASN A 42 1.030 12.024 5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.020 14.811 4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.938 13.378 4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.704 14.785 8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.596 15.499 6.394 1.00 0.00 H new ATOM 644 N THR A 43 2.351 12.015 3.108 1.00 0.00 N ATOM 645 CA THR A 43 2.739 11.834 1.715 1.00 0.00 C ATOM 646 C THR A 43 3.745 10.705 1.636 1.00 0.00 C ATOM 647 O THR A 43 4.364 10.370 2.641 1.00 0.00 O ATOM 648 CB THR A 43 3.392 13.094 1.119 1.00 0.00 C ATOM 649 OG1 THR A 43 3.074 14.257 1.891 1.00 0.00 O ATOM 650 CG2 THR A 43 2.935 13.313 -0.310 1.00 0.00 C ATOM 0 H THR A 43 2.935 11.507 3.773 1.00 0.00 H new ATOM 0 HA THR A 43 1.834 11.617 1.147 1.00 0.00 H new ATOM 0 HB THR A 43 4.470 12.937 1.137 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.750 14.966 1.297 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.409 14.209 -0.710 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.214 12.452 -0.917 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.852 13.436 -0.331 1.00 0.00 H new ATOM 658 N CYS A 44 3.938 10.138 0.461 1.00 0.00 N ATOM 659 CA CYS A 44 4.841 9.019 0.321 1.00 0.00 C ATOM 660 C CYS A 44 5.986 9.365 -0.617 1.00 0.00 C ATOM 661 O CYS A 44 5.840 10.201 -1.509 1.00 0.00 O ATOM 662 CB CYS A 44 4.071 7.807 -0.182 1.00 0.00 C ATOM 663 SG CYS A 44 2.563 7.486 0.762 1.00 0.00 S ATOM 0 H CYS A 44 3.484 10.433 -0.403 1.00 0.00 H new ATOM 0 HA CYS A 44 5.273 8.784 1.294 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.812 7.957 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.716 6.929 -0.136 1.00 0.00 H new ATOM 0 HG CYS A 44 2.849 6.764 1.805 1.00 0.00 H new ATOM 669 N VAL A 45 7.121 8.732 -0.378 1.00 0.00 N ATOM 670 CA VAL A 45 8.327 8.915 -1.161 1.00 0.00 C ATOM 671 C VAL A 45 9.084 7.603 -1.213 1.00 0.00 C ATOM 672 O VAL A 45 8.774 6.673 -0.469 1.00 0.00 O ATOM 673 CB VAL A 45 9.264 9.983 -0.558 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.660 11.373 -0.672 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.586 9.659 0.895 1.00 0.00 C ATOM 0 H VAL A 45 7.231 8.062 0.383 1.00 0.00 H new ATOM 0 HA VAL A 45 8.023 9.247 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 45 10.192 9.971 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.343 12.103 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.492 11.612 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.711 11.402 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.248 10.424 1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.663 9.633 1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.078 8.688 0.951 1.00 0.00 H new ATOM 685 N GLU A 46 10.077 7.541 -2.072 1.00 0.00 N ATOM 686 CA GLU A 46 10.874 6.341 -2.245 1.00 0.00 C ATOM 687 C GLU A 46 11.803 6.109 -1.057 1.00 0.00 C ATOM 688 O GLU A 46 12.757 6.855 -0.840 1.00 0.00 O ATOM 689 CB GLU A 46 11.681 6.469 -3.528 1.00 0.00 C ATOM 690 CG GLU A 46 11.175 5.602 -4.664 1.00 0.00 C ATOM 691 CD GLU A 46 11.858 5.917 -5.976 1.00 0.00 C ATOM 692 OE1 GLU A 46 13.004 5.476 -6.181 1.00 0.00 O ATOM 693 OE2 GLU A 46 11.250 6.617 -6.814 1.00 0.00 O ATOM 0 H GLU A 46 10.357 8.318 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 46 10.206 5.482 -2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.672 7.511 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.719 6.208 -3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.336 4.553 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.100 5.743 -4.774 1.00 0.00 H new ATOM 700 N ASN A 47 11.513 5.069 -0.294 1.00 0.00 N ATOM 701 CA ASN A 47 12.317 4.713 0.865 1.00 0.00 C ATOM 702 C ASN A 47 13.422 3.749 0.463 1.00 0.00 C ATOM 703 O ASN A 47 13.174 2.576 0.209 1.00 0.00 O ATOM 704 CB ASN A 47 11.433 4.092 1.945 1.00 0.00 C ATOM 705 CG ASN A 47 12.224 3.576 3.134 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.307 4.069 3.444 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.675 2.587 3.818 1.00 0.00 N ATOM 0 H ASN A 47 10.719 4.450 -0.458 1.00 0.00 H new ATOM 0 HA ASN A 47 12.776 5.616 1.267 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.713 4.835 2.289 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.862 3.271 1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.152 2.206 4.635 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.775 2.205 3.529 1.00 0.00 H new ATOM 714 N ASN A 48 14.648 4.241 0.434 1.00 0.00 N ATOM 715 CA ASN A 48 15.776 3.482 -0.066 1.00 0.00 C ATOM 716 C ASN A 48 16.210 2.370 0.895 1.00 0.00 C ATOM 717 O ASN A 48 17.299 1.820 0.765 1.00 0.00 O ATOM 718 CB ASN A 48 16.940 4.431 -0.334 1.00 0.00 C ATOM 719 CG ASN A 48 16.773 5.262 -1.601 1.00 0.00 C ATOM 720 OD1 ASN A 48 15.553 5.691 -1.897 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 17.749 5.535 -2.300 1.00 0.00 N flip ATOM 0 H ASN A 48 14.888 5.178 0.757 1.00 0.00 H new ATOM 0 HA ASN A 48 15.466 2.994 -0.990 1.00 0.00 H new ATOM 0 HB2 ASN A 48 17.054 5.102 0.518 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.860 3.851 -0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 48 18.673 5.188 -2.043 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.633 6.108 -3.136 1.00 0.00 H new ATOM 728 N ASN A 49 15.343 2.017 1.830 1.00 0.00 N ATOM 729 CA ASN A 49 15.629 0.968 2.794 1.00 0.00 C ATOM 730 C ASN A 49 14.334 0.518 3.457 1.00 0.00 C ATOM 731 O ASN A 49 14.045 0.886 4.597 1.00 0.00 O ATOM 732 CB ASN A 49 16.622 1.471 3.841 1.00 0.00 C ATOM 733 CG ASN A 49 17.150 0.363 4.724 1.00 0.00 C ATOM 734 OD1 ASN A 49 17.185 -0.801 4.329 1.00 0.00 O ATOM 735 ND2 ASN A 49 17.583 0.717 5.920 1.00 0.00 N ATOM 0 H ASN A 49 14.425 2.448 1.942 1.00 0.00 H new ATOM 0 HA ASN A 49 16.076 0.118 2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.457 1.959 3.339 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.138 2.225 4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.964 0.014 6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.537 1.694 6.211 1.00 0.00 H new ATOM 742 N PRO A 50 13.514 -0.248 2.728 1.00 0.00 N ATOM 743 CA PRO A 50 12.223 -0.695 3.212 1.00 0.00 C ATOM 744 C PRO A 50 12.318 -1.907 4.123 1.00 0.00 C ATOM 745 O PRO A 50 13.030 -2.868 3.838 1.00 0.00 O ATOM 746 CB PRO A 50 11.452 -1.051 1.940 1.00 0.00 C ATOM 747 CG PRO A 50 12.395 -0.880 0.796 1.00 0.00 C ATOM 748 CD PRO A 50 13.767 -0.723 1.368 1.00 0.00 C ATOM 0 HA PRO A 50 11.744 0.076 3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.084 -2.076 1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.582 -0.405 1.823 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.353 -1.743 0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.124 -0.007 0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.313 -1.666 1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.361 -0.010 0.797 1.00 0.00 H new ATOM 756 N THR A 51 11.592 -1.837 5.221 1.00 0.00 N ATOM 757 CA THR A 51 11.498 -2.930 6.161 1.00 0.00 C ATOM 758 C THR A 51 10.042 -3.342 6.276 1.00 0.00 C ATOM 759 O THR A 51 9.149 -2.509 6.125 1.00 0.00 O ATOM 760 CB THR A 51 12.042 -2.533 7.554 1.00 0.00 C ATOM 761 OG1 THR A 51 11.991 -3.657 8.445 1.00 0.00 O ATOM 762 CG2 THR A 51 11.245 -1.382 8.151 1.00 0.00 C ATOM 0 H THR A 51 11.049 -1.015 5.485 1.00 0.00 H new ATOM 0 HA THR A 51 12.105 -3.759 5.797 1.00 0.00 H new ATOM 0 HB THR A 51 13.076 -2.211 7.426 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.339 -3.395 9.323 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.652 -1.127 9.129 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.310 -0.515 7.494 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.202 -1.679 8.258 1.00 0.00 H new ATOM 770 N CYS A 52 9.791 -4.608 6.543 1.00 0.00 N ATOM 771 CA CYS A 52 8.441 -5.074 6.712 1.00 0.00 C ATOM 772 C CYS A 52 7.984 -4.766 8.135 1.00 0.00 C ATOM 773 O CYS A 52 8.792 -4.307 8.947 1.00 0.00 O ATOM 774 CB CYS A 52 8.387 -6.568 6.428 1.00 0.00 C ATOM 775 SG CYS A 52 9.455 -7.562 7.489 1.00 0.00 S ATOM 0 H CYS A 52 10.507 -5.327 6.646 1.00 0.00 H new ATOM 0 HA CYS A 52 7.772 -4.569 6.016 1.00 0.00 H new ATOM 0 HB2 CYS A 52 7.359 -6.911 6.543 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.666 -6.739 5.388 1.00 0.00 H new ATOM 0 HG CYS A 52 10.587 -6.947 7.664 1.00 0.00 H new ATOM 781 N ASP A 53 6.695 -4.985 8.412 1.00 0.00 N ATOM 782 CA ASP A 53 6.061 -4.605 9.689 1.00 0.00 C ATOM 783 C ASP A 53 5.768 -3.114 9.714 1.00 0.00 C ATOM 784 O ASP A 53 4.672 -2.687 10.067 1.00 0.00 O ATOM 785 CB ASP A 53 6.916 -4.985 10.909 1.00 0.00 C ATOM 786 CG ASP A 53 6.763 -6.440 11.301 1.00 0.00 C ATOM 787 OD1 ASP A 53 5.802 -6.762 12.034 1.00 0.00 O ATOM 788 OD2 ASP A 53 7.598 -7.270 10.878 1.00 0.00 O ATOM 0 H ASP A 53 6.054 -5.433 7.757 1.00 0.00 H new ATOM 0 HA ASP A 53 5.128 -5.165 9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.964 -4.780 10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.637 -4.354 11.753 1.00 0.00 H new ATOM 793 N ILE A 54 6.748 -2.335 9.301 1.00 0.00 N ATOM 794 CA ILE A 54 6.632 -0.886 9.267 1.00 0.00 C ATOM 795 C ILE A 54 6.199 -0.459 7.892 1.00 0.00 C ATOM 796 O ILE A 54 6.955 -0.598 6.927 1.00 0.00 O ATOM 797 CB ILE A 54 7.965 -0.220 9.643 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.387 -0.700 11.034 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.835 1.297 9.594 1.00 0.00 C ATOM 800 CD1 ILE A 54 9.769 -0.260 11.451 1.00 0.00 C ATOM 0 H ILE A 54 7.649 -2.687 8.979 1.00 0.00 H new ATOM 0 HA ILE A 54 5.887 -0.571 9.998 1.00 0.00 H new ATOM 0 HB ILE A 54 8.735 -0.503 8.925 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.666 -0.335 11.766 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.342 -1.789 11.059 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.788 1.753 9.863 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.557 1.606 8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.067 1.619 10.297 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.987 -0.643 12.448 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.503 -0.648 10.744 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.816 0.829 11.462 1.00 0.00 H new ATOM 812 N ASN A 55 4.949 0.001 7.803 1.00 0.00 N ATOM 813 CA ASN A 55 4.334 0.322 6.523 1.00 0.00 C ATOM 814 C ASN A 55 4.174 -0.960 5.721 1.00 0.00 C ATOM 815 O ASN A 55 3.834 -0.944 4.543 1.00 0.00 O ATOM 816 CB ASN A 55 5.208 1.335 5.782 1.00 0.00 C ATOM 817 CG ASN A 55 4.539 1.958 4.574 1.00 0.00 C ATOM 818 OD1 ASN A 55 3.326 2.166 4.543 1.00 0.00 O ATOM 819 ND2 ASN A 55 5.338 2.268 3.567 1.00 0.00 N ATOM 0 H ASN A 55 4.344 0.158 8.609 1.00 0.00 H new ATOM 0 HA ASN A 55 3.350 0.766 6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.495 2.127 6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.126 0.842 5.462 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.954 2.696 2.725 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.338 2.079 3.633 1.00 0.00 H new ATOM 826 N ASN A 56 4.421 -2.077 6.407 1.00 0.00 N ATOM 827 CA ASN A 56 4.459 -3.397 5.797 1.00 0.00 C ATOM 828 C ASN A 56 5.496 -3.424 4.665 1.00 0.00 C ATOM 829 O ASN A 56 5.414 -4.239 3.753 1.00 0.00 O ATOM 830 CB ASN A 56 3.075 -3.784 5.266 1.00 0.00 C ATOM 831 CG ASN A 56 2.842 -5.278 5.270 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.259 -5.976 6.189 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.176 -5.775 4.243 1.00 0.00 N ATOM 0 H ASN A 56 4.601 -2.085 7.411 1.00 0.00 H new ATOM 0 HA ASN A 56 4.749 -4.124 6.555 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.310 -3.300 5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.962 -3.406 4.250 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.990 -6.777 4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.848 -5.157 3.501 1.00 0.00 H new ATOM 840 N GLY A 57 6.478 -2.521 4.744 1.00 0.00 N ATOM 841 CA GLY A 57 7.457 -2.372 3.678 1.00 0.00 C ATOM 842 C GLY A 57 6.850 -1.739 2.446 1.00 0.00 C ATOM 843 O GLY A 57 7.342 -1.910 1.334 1.00 0.00 O ATOM 0 H GLY A 57 6.611 -1.888 5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.288 -1.760 4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.867 -3.349 3.421 1.00 0.00 H new ATOM 847 N GLY A 58 5.775 -1.005 2.656 1.00 0.00 N ATOM 848 CA GLY A 58 5.075 -0.368 1.567 1.00 0.00 C ATOM 849 C GLY A 58 3.967 -1.247 1.034 1.00 0.00 C ATOM 850 O GLY A 58 3.462 -1.035 -0.061 1.00 0.00 O ATOM 0 H GLY A 58 5.369 -0.837 3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.658 0.580 1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.777 -0.139 0.765 1.00 0.00 H new ATOM 854 N CYS A 59 3.592 -2.231 1.831 1.00 0.00 N ATOM 855 CA CYS A 59 2.599 -3.220 1.443 1.00 0.00 C ATOM 856 C CYS A 59 1.348 -3.087 2.310 1.00 0.00 C ATOM 857 O CYS A 59 1.294 -2.255 3.215 1.00 0.00 O ATOM 858 CB CYS A 59 3.189 -4.627 1.554 1.00 0.00 C ATOM 859 SG CYS A 59 4.636 -4.906 0.510 1.00 0.00 S ATOM 0 H CYS A 59 3.968 -2.368 2.769 1.00 0.00 H new ATOM 0 HA CYS A 59 2.313 -3.045 0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.463 -4.813 2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.420 -5.353 1.292 1.00 0.00 H new ATOM 0 HG CYS A 59 5.256 -3.780 0.318 1.00 0.00 H new ATOM 865 N ASP A 60 0.352 -3.912 2.034 1.00 0.00 N ATOM 866 CA ASP A 60 -0.913 -3.868 2.768 1.00 0.00 C ATOM 867 C ASP A 60 -0.924 -4.957 3.828 1.00 0.00 C ATOM 868 O ASP A 60 -0.410 -6.038 3.602 1.00 0.00 O ATOM 869 CB ASP A 60 -2.074 -4.115 1.803 1.00 0.00 C ATOM 870 CG ASP A 60 -3.434 -4.014 2.471 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.855 -4.996 3.120 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.083 -2.955 2.350 1.00 0.00 O ATOM 0 H ASP A 60 0.390 -4.625 1.305 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.019 -2.890 3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.021 -3.393 0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.966 -5.105 1.360 1.00 0.00 H new ATOM 877 N PRO A 61 -1.496 -4.663 5.015 1.00 0.00 N ATOM 878 CA PRO A 61 -1.541 -5.591 6.145 1.00 0.00 C ATOM 879 C PRO A 61 -2.118 -6.963 5.789 1.00 0.00 C ATOM 880 O PRO A 61 -1.847 -7.947 6.479 1.00 0.00 O ATOM 881 CB PRO A 61 -2.450 -4.892 7.164 1.00 0.00 C ATOM 882 CG PRO A 61 -3.066 -3.745 6.458 1.00 0.00 C ATOM 883 CD PRO A 61 -2.131 -3.387 5.355 1.00 0.00 C ATOM 0 HA PRO A 61 -0.535 -5.798 6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.214 -5.575 7.535 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.877 -4.554 8.028 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.048 -4.011 6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.210 -2.903 7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.661 -2.963 4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.398 -2.647 5.675 1.00 0.00 H new ATOM 891 N THR A 62 -2.930 -7.030 4.739 1.00 0.00 N ATOM 892 CA THR A 62 -3.443 -8.310 4.262 1.00 0.00 C ATOM 893 C THR A 62 -2.431 -8.961 3.322 1.00 0.00 C ATOM 894 O THR A 62 -2.318 -10.188 3.256 1.00 0.00 O ATOM 895 CB THR A 62 -4.803 -8.158 3.543 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.673 -7.292 2.416 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.860 -7.600 4.482 1.00 0.00 C ATOM 0 H THR A 62 -3.245 -6.220 4.205 1.00 0.00 H new ATOM 0 HA THR A 62 -3.599 -8.945 5.134 1.00 0.00 H new ATOM 0 HB THR A 62 -5.115 -9.148 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.530 -6.373 2.724 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.806 -7.504 3.949 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.987 -8.275 5.329 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.546 -6.621 4.843 1.00 0.00 H new ATOM 905 N ALA A 63 -1.681 -8.123 2.615 1.00 0.00 N ATOM 906 CA ALA A 63 -0.648 -8.576 1.710 1.00 0.00 C ATOM 907 C ALA A 63 0.616 -8.963 2.479 1.00 0.00 C ATOM 908 O ALA A 63 1.332 -8.102 2.986 1.00 0.00 O ATOM 909 CB ALA A 63 -0.350 -7.481 0.696 1.00 0.00 C ATOM 0 H ALA A 63 -1.778 -7.109 2.658 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.999 -9.464 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.429 -7.820 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.254 -7.252 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.011 -6.585 1.217 1.00 0.00 H new ATOM 915 N SER A 64 0.880 -10.263 2.561 1.00 0.00 N ATOM 916 CA SER A 64 2.047 -10.781 3.279 1.00 0.00 C ATOM 917 C SER A 64 3.339 -10.175 2.731 1.00 0.00 C ATOM 918 O SER A 64 3.700 -10.407 1.578 1.00 0.00 O ATOM 919 CB SER A 64 2.089 -12.312 3.171 1.00 0.00 C ATOM 920 OG SER A 64 3.212 -12.857 3.851 1.00 0.00 O ATOM 0 H SER A 64 0.298 -10.985 2.136 1.00 0.00 H new ATOM 0 HA SER A 64 1.960 -10.499 4.328 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.173 -12.731 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.124 -12.602 2.121 1.00 0.00 H new ATOM 0 HG SER A 64 3.206 -13.833 3.763 1.00 0.00 H new ATOM 926 N CYS A 65 4.019 -9.393 3.563 1.00 0.00 N ATOM 927 CA CYS A 65 5.235 -8.701 3.158 1.00 0.00 C ATOM 928 C CYS A 65 6.484 -9.561 3.327 1.00 0.00 C ATOM 929 O CYS A 65 6.518 -10.497 4.132 1.00 0.00 O ATOM 930 CB CYS A 65 5.407 -7.429 3.979 1.00 0.00 C ATOM 931 SG CYS A 65 5.424 -7.723 5.761 1.00 0.00 S ATOM 0 H CYS A 65 3.744 -9.222 4.530 1.00 0.00 H new ATOM 0 HA CYS A 65 5.125 -8.468 2.099 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.338 -6.942 3.690 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.598 -6.739 3.740 1.00 0.00 H new ATOM 0 HG CYS A 65 4.542 -6.960 6.335 1.00 0.00 H new ATOM 937 N GLN A 66 7.503 -9.224 2.550 1.00 0.00 N ATOM 938 CA GLN A 66 8.829 -9.777 2.709 1.00 0.00 C ATOM 939 C GLN A 66 9.834 -8.640 2.773 1.00 0.00 C ATOM 940 O GLN A 66 9.788 -7.723 1.956 1.00 0.00 O ATOM 941 CB GLN A 66 9.169 -10.728 1.554 1.00 0.00 C ATOM 942 CG GLN A 66 10.561 -10.520 0.970 1.00 0.00 C ATOM 943 CD GLN A 66 11.104 -11.724 0.208 1.00 0.00 C ATOM 944 OE1 GLN A 66 10.726 -12.928 0.616 1.00 0.00 O flip ATOM 945 NE2 GLN A 66 11.884 -11.572 -0.731 1.00 0.00 N flip ATOM 0 H GLN A 66 7.426 -8.552 1.786 1.00 0.00 H new ATOM 0 HA GLN A 66 8.867 -10.353 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.084 -11.756 1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.431 -10.600 0.762 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.537 -9.660 0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.249 -10.275 1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.156 -10.633 -1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.259 -12.385 -1.219 1.00 0.00 H new ATOM 954 N ASN A 67 10.729 -8.702 3.739 1.00 0.00 N ATOM 955 CA ASN A 67 11.733 -7.663 3.909 1.00 0.00 C ATOM 956 C ASN A 67 12.999 -8.052 3.168 1.00 0.00 C ATOM 957 O ASN A 67 13.588 -9.103 3.435 1.00 0.00 O ATOM 958 CB ASN A 67 12.020 -7.427 5.390 1.00 0.00 C ATOM 959 CG ASN A 67 13.054 -6.343 5.621 1.00 0.00 C ATOM 960 OD1 ASN A 67 13.279 -5.490 4.769 1.00 0.00 O ATOM 961 ND2 ASN A 67 13.647 -6.338 6.801 1.00 0.00 N ATOM 0 H ASN A 67 10.784 -9.460 4.420 1.00 0.00 H new ATOM 0 HA ASN A 67 11.353 -6.730 3.492 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.094 -7.154 5.896 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.367 -8.357 5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.320 -5.606 7.031 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.432 -7.066 7.483 1.00 0.00 H new ATOM 968 N ALA A 68 13.411 -7.212 2.234 1.00 0.00 N ATOM 969 CA ALA A 68 14.501 -7.550 1.341 1.00 0.00 C ATOM 970 C ALA A 68 15.269 -6.307 0.914 1.00 0.00 C ATOM 971 O ALA A 68 14.800 -5.184 1.100 1.00 0.00 O ATOM 972 CB ALA A 68 13.948 -8.274 0.126 1.00 0.00 C ATOM 0 H ALA A 68 13.005 -6.290 2.076 1.00 0.00 H new ATOM 0 HA ALA A 68 15.197 -8.202 1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.765 -8.530 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.442 -9.185 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.240 -7.627 -0.392 1.00 0.00 H new ATOM 978 N GLU A 69 16.457 -6.518 0.367 1.00 0.00 N ATOM 979 CA GLU A 69 17.270 -5.440 -0.176 1.00 0.00 C ATOM 980 C GLU A 69 17.476 -5.639 -1.675 1.00 0.00 C ATOM 981 O GLU A 69 17.502 -6.770 -2.163 1.00 0.00 O ATOM 982 CB GLU A 69 18.622 -5.389 0.532 1.00 0.00 C ATOM 983 CG GLU A 69 18.607 -4.586 1.818 1.00 0.00 C ATOM 984 CD GLU A 69 18.486 -3.101 1.553 1.00 0.00 C ATOM 985 OE1 GLU A 69 17.375 -2.638 1.239 1.00 0.00 O ATOM 986 OE2 GLU A 69 19.513 -2.394 1.628 1.00 0.00 O ATOM 0 H GLU A 69 16.884 -7.441 0.287 1.00 0.00 H new ATOM 0 HA GLU A 69 16.750 -4.496 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.945 -6.406 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 69 19.361 -4.960 -0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.774 -4.913 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 69 19.521 -4.782 2.379 1.00 0.00 H new ATOM 993 N SER A 70 17.621 -4.532 -2.389 1.00 0.00 N ATOM 994 CA SER A 70 17.780 -4.531 -3.837 1.00 0.00 C ATOM 995 C SER A 70 18.187 -3.136 -4.301 1.00 0.00 C ATOM 996 O SER A 70 18.192 -2.204 -3.494 1.00 0.00 O ATOM 997 CB SER A 70 16.475 -4.956 -4.519 1.00 0.00 C ATOM 998 OG SER A 70 16.341 -6.367 -4.540 1.00 0.00 O ATOM 0 H SER A 70 17.632 -3.600 -1.976 1.00 0.00 H new ATOM 0 HA SER A 70 18.557 -5.244 -4.111 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.627 -4.516 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.453 -4.571 -5.539 1.00 0.00 H new ATOM 0 HG SER A 70 16.933 -6.762 -3.866 1.00 0.00 H new ATOM 1004 N THR A 71 18.521 -2.977 -5.576 1.00 0.00 N ATOM 1005 CA THR A 71 18.895 -1.665 -6.086 1.00 0.00 C ATOM 1006 C THR A 71 17.678 -0.746 -6.084 1.00 0.00 C ATOM 1007 O THR A 71 17.778 0.454 -5.813 1.00 0.00 O ATOM 1008 CB THR A 71 19.506 -1.745 -7.509 1.00 0.00 C ATOM 1009 OG1 THR A 71 19.976 -0.456 -7.918 1.00 0.00 O ATOM 1010 CG2 THR A 71 18.499 -2.261 -8.529 1.00 0.00 C ATOM 0 H THR A 71 18.541 -3.728 -6.266 1.00 0.00 H new ATOM 0 HA THR A 71 19.663 -1.258 -5.428 1.00 0.00 H new ATOM 0 HB THR A 71 20.338 -2.447 -7.466 1.00 0.00 H new ATOM 0 HG1 THR A 71 20.361 -0.518 -8.817 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.966 -2.302 -9.513 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.169 -3.259 -8.242 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.640 -1.591 -8.563 1.00 0.00 H new ATOM 1018 N GLU A 72 16.524 -1.337 -6.348 1.00 0.00 N ATOM 1019 CA GLU A 72 15.266 -0.620 -6.335 1.00 0.00 C ATOM 1020 C GLU A 72 14.564 -0.846 -5.014 1.00 0.00 C ATOM 1021 O GLU A 72 14.429 -1.983 -4.575 1.00 0.00 O ATOM 1022 CB GLU A 72 14.364 -1.129 -7.443 1.00 0.00 C ATOM 1023 CG GLU A 72 14.943 -0.971 -8.826 1.00 0.00 C ATOM 1024 CD GLU A 72 15.078 0.475 -9.256 1.00 0.00 C ATOM 1025 OE1 GLU A 72 16.007 1.161 -8.782 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.261 0.930 -10.080 1.00 0.00 O ATOM 0 H GLU A 72 16.436 -2.327 -6.577 1.00 0.00 H new ATOM 0 HA GLU A 72 15.472 0.441 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.150 -2.183 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.413 -0.599 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.924 -1.446 -8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.310 -1.498 -9.540 1.00 0.00 H new ATOM 1033 N ASN A 73 14.104 0.226 -4.392 1.00 0.00 N ATOM 1034 CA ASN A 73 13.339 0.114 -3.158 1.00 0.00 C ATOM 1035 C ASN A 73 11.997 -0.533 -3.440 1.00 0.00 C ATOM 1036 O ASN A 73 11.437 -1.220 -2.588 1.00 0.00 O ATOM 1037 CB ASN A 73 13.112 1.479 -2.503 1.00 0.00 C ATOM 1038 CG ASN A 73 13.738 2.625 -3.271 1.00 0.00 C ATOM 1039 OD1 ASN A 73 15.020 2.874 -3.047 1.00 0.00 O flip ATOM 1040 ND2 ASN A 73 13.082 3.264 -4.080 1.00 0.00 N flip ATOM 0 H ASN A 73 14.245 1.182 -4.718 1.00 0.00 H new ATOM 0 HA ASN A 73 13.917 -0.502 -2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.040 1.656 -2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.521 1.462 -1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.097 3.043 -4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.520 4.018 -4.610 1.00 0.00 H new ATOM 1047 N SER A 74 11.505 -0.335 -4.652 1.00 0.00 N ATOM 1048 CA SER A 74 10.207 -0.855 -5.035 1.00 0.00 C ATOM 1049 C SER A 74 10.319 -2.263 -5.615 1.00 0.00 C ATOM 1050 O SER A 74 9.338 -2.832 -6.087 1.00 0.00 O ATOM 1051 CB SER A 74 9.531 0.098 -6.023 1.00 0.00 C ATOM 1052 OG SER A 74 10.435 0.515 -7.034 1.00 0.00 O ATOM 0 H SER A 74 11.987 0.183 -5.387 1.00 0.00 H new ATOM 0 HA SER A 74 9.588 -0.925 -4.141 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.673 -0.396 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.151 0.969 -5.490 1.00 0.00 H new ATOM 0 HG SER A 74 9.977 1.122 -7.653 1.00 0.00 H new ATOM 1058 N LYS A 75 11.522 -2.823 -5.567 1.00 0.00 N ATOM 1059 CA LYS A 75 11.737 -4.196 -6.002 1.00 0.00 C ATOM 1060 C LYS A 75 12.300 -5.021 -4.852 1.00 0.00 C ATOM 1061 O LYS A 75 12.883 -6.083 -5.062 1.00 0.00 O ATOM 1062 CB LYS A 75 12.681 -4.260 -7.208 1.00 0.00 C ATOM 1063 CG LYS A 75 12.190 -3.485 -8.421 1.00 0.00 C ATOM 1064 CD LYS A 75 12.804 -4.019 -9.699 1.00 0.00 C ATOM 1065 CE LYS A 75 12.251 -3.325 -10.939 1.00 0.00 C ATOM 1066 NZ LYS A 75 12.573 -1.873 -10.964 1.00 0.00 N ATOM 0 H LYS A 75 12.361 -2.348 -5.232 1.00 0.00 H new ATOM 0 HA LYS A 75 10.776 -4.608 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.657 -3.873 -6.913 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.823 -5.303 -7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.104 -3.550 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.440 -2.430 -8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.885 -3.887 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.616 -5.090 -9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.659 -3.801 -11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.169 -3.456 -10.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.014 -1.406 -11.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.345 -1.451 -10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.586 -1.745 -11.162 1.00 0.00 H new ATOM 1080 N LYS A 76 12.132 -4.514 -3.634 1.00 0.00 N ATOM 1081 CA LYS A 76 12.634 -5.200 -2.453 1.00 0.00 C ATOM 1082 C LYS A 76 11.532 -5.952 -1.744 1.00 0.00 C ATOM 1083 O LYS A 76 11.577 -7.171 -1.619 1.00 0.00 O ATOM 1084 CB LYS A 76 13.245 -4.217 -1.464 1.00 0.00 C ATOM 1085 CG LYS A 76 14.417 -3.450 -2.007 1.00 0.00 C ATOM 1086 CD LYS A 76 15.051 -2.620 -0.926 1.00 0.00 C ATOM 1087 CE LYS A 76 15.932 -1.538 -1.507 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.697 -0.804 -0.462 1.00 0.00 N ATOM 0 H LYS A 76 11.654 -3.634 -3.442 1.00 0.00 H new ATOM 0 HA LYS A 76 13.394 -5.900 -2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.477 -3.511 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.562 -4.762 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.151 -4.141 -2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.091 -2.806 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.274 -2.167 -0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.643 -3.261 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.629 -1.983 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.316 -0.833 -2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.676 -0.663 -0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.252 0.120 -0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.698 -1.356 0.419 1.00 0.00 H new ATOM 1102 N ILE A 77 10.550 -5.211 -1.263 1.00 0.00 N ATOM 1103 CA ILE A 77 9.512 -5.790 -0.443 1.00 0.00 C ATOM 1104 C ILE A 77 8.483 -6.494 -1.307 1.00 0.00 C ATOM 1105 O ILE A 77 7.993 -5.944 -2.294 1.00 0.00 O ATOM 1106 CB ILE A 77 8.802 -4.730 0.416 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.821 -3.865 1.163 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.849 -5.373 1.405 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.664 -4.636 2.157 1.00 0.00 C ATOM 0 H ILE A 77 10.453 -4.209 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 77 9.995 -6.508 0.221 1.00 0.00 H new ATOM 0 HB ILE A 77 8.225 -4.096 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.478 -3.386 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.293 -3.069 1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.362 -4.598 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.094 -5.944 0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.404 -6.039 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.362 -3.957 2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.017 -5.093 2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.221 -5.414 1.635 1.00 0.00 H new ATOM 1121 N ILE A 78 8.169 -7.706 -0.922 1.00 0.00 N ATOM 1122 CA ILE A 78 7.181 -8.507 -1.636 1.00 0.00 C ATOM 1123 C ILE A 78 5.868 -8.524 -0.868 1.00 0.00 C ATOM 1124 O ILE A 78 5.857 -8.772 0.331 1.00 0.00 O ATOM 1125 CB ILE A 78 7.659 -9.965 -1.882 1.00 0.00 C ATOM 1126 CG1 ILE A 78 8.664 -10.020 -3.036 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.486 -10.894 -2.172 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.067 -9.609 -2.657 1.00 0.00 C ATOM 0 H ILE A 78 8.582 -8.170 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 78 7.039 -8.040 -2.611 1.00 0.00 H new ATOM 0 HB ILE A 78 8.148 -10.305 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.690 -11.035 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.313 -9.373 -3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.856 -11.906 -2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.803 -10.893 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.960 -10.548 -3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.715 -9.676 -3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.059 -8.583 -2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.442 -10.271 -1.876 1.00 0.00 H new ATOM 1140 N CYS A 79 4.777 -8.230 -1.555 1.00 0.00 N ATOM 1141 CA CYS A 79 3.458 -8.297 -0.957 1.00 0.00 C ATOM 1142 C CYS A 79 2.658 -9.444 -1.559 1.00 0.00 C ATOM 1143 O CYS A 79 2.772 -9.741 -2.749 1.00 0.00 O ATOM 1144 CB CYS A 79 2.736 -6.968 -1.152 1.00 0.00 C ATOM 1145 SG CYS A 79 3.183 -6.120 -2.680 1.00 0.00 S ATOM 0 H CYS A 79 4.781 -7.941 -2.533 1.00 0.00 H new ATOM 0 HA CYS A 79 3.560 -8.485 0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.660 -7.144 -1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.957 -6.316 -0.307 1.00 0.00 H new ATOM 0 HG CYS A 79 2.395 -6.508 -3.638 1.00 0.00 H new ATOM 1151 N THR A 80 1.863 -10.090 -0.727 1.00 0.00 N ATOM 1152 CA THR A 80 1.090 -11.245 -1.146 1.00 0.00 C ATOM 1153 C THR A 80 -0.394 -11.091 -0.818 1.00 0.00 C ATOM 1154 O THR A 80 -0.780 -11.060 0.349 1.00 0.00 O ATOM 1155 CB THR A 80 1.620 -12.529 -0.471 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.778 -13.015 -1.162 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.550 -13.612 -0.415 1.00 0.00 C ATOM 0 H THR A 80 1.735 -9.832 0.251 1.00 0.00 H new ATOM 0 HA THR A 80 1.200 -11.320 -2.228 1.00 0.00 H new ATOM 0 HB THR A 80 1.896 -12.275 0.553 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.104 -13.828 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.957 -14.501 0.066 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.305 -13.250 0.156 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.231 -13.861 -1.427 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.218 -10.997 -1.849 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.652 -11.090 -1.669 1.00 0.00 C ATOM 1167 C CYS A 81 -3.058 -12.555 -1.816 1.00 0.00 C ATOM 1168 O CYS A 81 -2.375 -13.330 -2.489 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.382 -10.203 -2.681 1.00 0.00 C ATOM 1170 SG CYS A 81 -3.136 -10.689 -4.405 1.00 0.00 S ATOM 0 H CYS A 81 -0.918 -10.857 -2.814 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.931 -10.735 -0.677 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.449 -10.220 -2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.046 -9.174 -2.554 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.794 -9.881 -5.182 1.00 0.00 H new ATOM 1176 N LYS A 82 -4.153 -12.932 -1.187 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.535 -14.333 -1.087 1.00 0.00 C ATOM 1178 C LYS A 82 -5.928 -14.560 -1.665 1.00 0.00 C ATOM 1179 O LYS A 82 -6.519 -13.656 -2.253 1.00 0.00 O ATOM 1180 CB LYS A 82 -4.491 -14.782 0.372 1.00 0.00 C ATOM 1181 CG LYS A 82 -3.163 -14.510 1.058 1.00 0.00 C ATOM 1182 CD LYS A 82 -3.185 -14.968 2.506 1.00 0.00 C ATOM 1183 CE LYS A 82 -3.300 -16.482 2.619 1.00 0.00 C ATOM 1184 NZ LYS A 82 -3.408 -16.928 4.036 1.00 0.00 N ATOM 0 H LYS A 82 -4.800 -12.286 -0.734 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.826 -14.925 -1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.284 -14.275 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.702 -15.850 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.364 -15.024 0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.941 -13.444 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.276 -14.634 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.023 -14.500 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.174 -16.822 2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.429 -16.947 2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.484 -17.965 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.562 -16.626 4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.253 -16.505 4.470 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.442 -15.772 -1.530 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.804 -16.067 -1.959 1.00 0.00 C ATOM 1200 C GLU A 83 -8.834 -15.201 -1.213 1.00 0.00 C ATOM 1201 O GLU A 83 -9.703 -14.608 -1.851 1.00 0.00 O ATOM 1202 CB GLU A 83 -8.130 -17.551 -1.775 1.00 0.00 C ATOM 1203 CG GLU A 83 -9.487 -17.936 -2.334 1.00 0.00 C ATOM 1204 CD GLU A 83 -9.833 -19.381 -2.080 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -9.252 -20.261 -2.748 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -10.691 -19.643 -1.218 1.00 0.00 O ATOM 0 H GLU A 83 -5.942 -16.565 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.865 -15.826 -3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.360 -18.149 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.099 -17.795 -0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.252 -17.300 -1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.500 -17.747 -3.407 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.750 -15.086 0.138 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.671 -14.244 0.922 1.00 0.00 C ATOM 1215 C PRO A 84 -9.442 -12.750 0.713 1.00 0.00 C ATOM 1216 O PRO A 84 -9.850 -11.931 1.538 1.00 0.00 O ATOM 1217 CB PRO A 84 -9.336 -14.612 2.369 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.918 -15.030 2.315 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.785 -15.772 1.022 1.00 0.00 C ATOM 0 HA PRO A 84 -10.708 -14.418 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.476 -13.764 3.039 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.975 -15.416 2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.251 -14.169 2.347 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.660 -15.664 3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.770 -15.717 0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.026 -16.829 1.138 1.00 0.00 H new ATOM 1227 N THR A 85 -8.772 -12.390 -0.369 1.00 0.00 N ATOM 1228 CA THR A 85 -8.520 -10.993 -0.648 1.00 0.00 C ATOM 1229 C THR A 85 -8.904 -10.634 -2.085 1.00 0.00 C ATOM 1230 O THR A 85 -8.187 -10.955 -3.035 1.00 0.00 O ATOM 1231 CB THR A 85 -7.049 -10.595 -0.368 1.00 0.00 C ATOM 1232 OG1 THR A 85 -6.170 -11.277 -1.251 1.00 0.00 O ATOM 1233 CG2 THR A 85 -6.663 -10.909 1.072 1.00 0.00 C ATOM 0 H THR A 85 -8.398 -13.040 -1.060 1.00 0.00 H new ATOM 0 HA THR A 85 -9.151 -10.422 0.033 1.00 0.00 H new ATOM 0 HB THR A 85 -6.961 -9.521 -0.531 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.667 -11.965 -1.740 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.626 -10.620 1.242 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.310 -10.354 1.751 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.776 -11.978 1.254 1.00 0.00 H new ATOM 1241 N PRO A 86 -10.089 -10.010 -2.240 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.594 -9.475 -3.513 1.00 0.00 C ATOM 1243 C PRO A 86 -9.534 -8.867 -4.464 1.00 0.00 C ATOM 1244 O PRO A 86 -9.634 -9.055 -5.674 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.582 -8.419 -3.010 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.213 -9.081 -1.841 1.00 0.00 C ATOM 1247 CD PRO A 86 -11.103 -9.839 -1.164 1.00 0.00 C ATOM 0 HA PRO A 86 -11.011 -10.258 -4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.076 -7.496 -2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.317 -8.159 -3.772 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.657 -8.348 -1.167 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -13.013 -9.752 -2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.699 -9.286 -0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.448 -10.800 -0.782 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.525 -8.147 -3.949 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.532 -7.507 -4.836 1.00 0.00 C ATOM 1257 C ASN A 87 -6.223 -7.208 -4.118 1.00 0.00 C ATOM 1258 O ASN A 87 -6.106 -7.446 -2.930 1.00 0.00 O ATOM 1259 CB ASN A 87 -8.093 -6.206 -5.433 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.228 -5.591 -6.521 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.552 -6.286 -7.278 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -7.251 -4.274 -6.594 1.00 0.00 N ATOM 0 H ASN A 87 -8.374 -7.994 -2.952 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.325 -8.219 -5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.083 -6.406 -5.842 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.220 -5.478 -4.632 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.693 -3.792 -7.299 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.827 -3.737 -5.945 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.241 -6.730 -4.879 1.00 0.00 N ATOM 1270 CA ALA A 88 -4.018 -6.138 -4.348 1.00 0.00 C ATOM 1271 C ALA A 88 -3.677 -4.896 -5.171 1.00 0.00 C ATOM 1272 O ALA A 88 -3.272 -5.000 -6.327 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.869 -7.134 -4.380 1.00 0.00 C ATOM 0 H ALA A 88 -5.274 -6.744 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.176 -5.858 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.970 -6.666 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.125 -8.005 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.687 -7.446 -5.408 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.860 -3.724 -4.579 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.608 -2.465 -5.268 1.00 0.00 C ATOM 1281 C TYR A 89 -2.134 -2.170 -5.259 1.00 0.00 C ATOM 1282 O TYR A 89 -1.477 -2.398 -4.248 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.306 -1.317 -4.564 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.402 -0.661 -5.340 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -6.671 -1.178 -5.314 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -5.172 0.506 -6.057 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -7.695 -0.560 -5.981 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -6.194 1.131 -6.740 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.459 0.593 -6.697 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.495 1.212 -7.357 1.00 0.00 O ATOM 0 H TYR A 89 -4.184 -3.618 -3.618 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.983 -2.561 -6.287 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.719 -1.686 -3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.562 -0.562 -4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.866 -2.085 -4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.179 0.930 -6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.690 -0.978 -5.946 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.003 2.033 -7.302 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.938 1.843 -6.752 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.624 -1.644 -6.361 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.219 -1.295 -6.448 1.00 0.00 C ATOM 1302 C TYR A 90 0.631 -2.481 -6.040 1.00 0.00 C ATOM 1303 O TYR A 90 1.505 -2.373 -5.184 1.00 0.00 O ATOM 1304 CB TYR A 90 0.067 -0.049 -5.594 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.439 1.219 -6.248 1.00 0.00 C ATOM 1306 CD1 TYR A 90 -1.733 1.675 -6.028 1.00 0.00 C ATOM 1307 CD2 TYR A 90 0.374 1.950 -7.107 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -2.201 2.820 -6.646 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -0.086 3.097 -7.723 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.373 3.528 -7.490 1.00 0.00 C ATOM 1311 OH TYR A 90 -1.837 4.668 -8.109 1.00 0.00 O ATOM 0 H TYR A 90 -2.163 -1.450 -7.205 1.00 0.00 H new ATOM 0 HA TYR A 90 0.039 -1.047 -7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.402 -0.164 -4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.140 0.035 -5.424 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.384 1.126 -5.363 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.383 1.615 -7.296 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.211 3.158 -6.468 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.561 3.654 -8.385 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.128 5.048 -8.669 1.00 0.00 H new ATOM 1321 N GLU A 91 0.318 -3.627 -6.656 1.00 0.00 N ATOM 1322 CA GLU A 91 1.056 -4.872 -6.475 1.00 0.00 C ATOM 1323 C GLU A 91 0.755 -5.529 -5.131 1.00 0.00 C ATOM 1324 O GLU A 91 1.093 -6.692 -4.904 1.00 0.00 O ATOM 1325 CB GLU A 91 2.546 -4.602 -6.636 1.00 0.00 C ATOM 1326 CG GLU A 91 2.861 -3.753 -7.857 1.00 0.00 C ATOM 1327 CD GLU A 91 2.907 -4.553 -9.141 1.00 0.00 C ATOM 1328 OE1 GLU A 91 3.980 -5.096 -9.470 1.00 0.00 O ATOM 1329 OE2 GLU A 91 1.868 -4.644 -9.828 1.00 0.00 O ATOM 0 H GLU A 91 -0.467 -3.712 -7.302 1.00 0.00 H new ATOM 0 HA GLU A 91 0.732 -5.578 -7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.918 -4.099 -5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.077 -5.551 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.109 -2.969 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.821 -3.258 -7.710 1.00 0.00 H new ATOM 1336 N GLY A 92 0.085 -4.794 -4.265 1.00 0.00 N ATOM 1337 CA GLY A 92 -0.239 -5.294 -2.948 1.00 0.00 C ATOM 1338 C GLY A 92 0.089 -4.293 -1.859 1.00 0.00 C ATOM 1339 O GLY A 92 0.308 -4.669 -0.708 1.00 0.00 O ATOM 0 H GLY A 92 -0.245 -3.847 -4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.300 -5.540 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.310 -6.218 -2.767 1.00 0.00 H new ATOM 1343 N VAL A 93 0.150 -3.015 -2.230 1.00 0.00 N ATOM 1344 CA VAL A 93 0.238 -1.941 -1.249 1.00 0.00 C ATOM 1345 C VAL A 93 -1.091 -1.845 -0.523 1.00 0.00 C ATOM 1346 O VAL A 93 -1.174 -1.364 0.601 1.00 0.00 O ATOM 1347 CB VAL A 93 0.573 -0.576 -1.898 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.776 0.504 -0.851 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.809 -0.687 -2.774 1.00 0.00 C ATOM 0 H VAL A 93 0.140 -2.701 -3.201 1.00 0.00 H new ATOM 0 HA VAL A 93 1.048 -2.175 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.278 -0.293 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.009 1.448 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.135 0.617 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.599 0.224 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.027 0.283 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.657 -1.006 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.631 -1.418 -3.563 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.134 -2.308 -1.203 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.469 -2.396 -0.629 1.00 0.00 C ATOM 1361 C PHE A 94 -4.144 -3.610 -1.181 1.00 0.00 C ATOM 1362 O PHE A 94 -3.579 -4.329 -2.000 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.354 -1.197 -0.994 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.639 0.095 -1.058 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.809 0.361 -2.120 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.782 1.028 -0.065 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.127 1.536 -2.195 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -3.107 2.219 -0.132 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.274 2.470 -1.195 1.00 0.00 C ATOM 0 H PHE A 94 -2.076 -2.633 -2.168 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.349 -2.428 0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.822 -1.387 -1.960 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.157 -1.118 -0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.696 -0.372 -2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.430 0.824 0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.475 1.734 -3.033 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.229 2.957 0.647 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.733 3.403 -1.246 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.360 -3.814 -0.754 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.199 -4.815 -1.333 1.00 0.00 C ATOM 1381 C CYS A 95 -7.627 -4.284 -1.431 1.00 0.00 C ATOM 1382 O CYS A 95 -8.252 -3.970 -0.431 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.119 -6.059 -0.469 1.00 0.00 C ATOM 1384 SG CYS A 95 -4.496 -6.862 -0.442 1.00 0.00 S ATOM 0 H CYS A 95 -5.793 -3.288 0.005 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.872 -5.068 -2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.394 -5.794 0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.858 -6.778 -0.822 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.191 -7.183 0.780 1.00 0.00 H new ATOM 1390 N SER A 96 -8.134 -4.258 -2.650 1.00 0.00 N ATOM 1391 CA SER A 96 -9.432 -3.651 -2.987 1.00 0.00 C ATOM 1392 C SER A 96 -10.424 -4.699 -3.483 1.00 0.00 C ATOM 1393 O SER A 96 -10.101 -5.870 -3.560 1.00 0.00 O ATOM 1394 CB SER A 96 -9.252 -2.607 -4.072 1.00 0.00 C ATOM 1395 OG SER A 96 -10.356 -1.721 -4.121 1.00 0.00 O ATOM 0 H SER A 96 -7.656 -4.662 -3.455 1.00 0.00 H new ATOM 0 HA SER A 96 -9.824 -3.192 -2.079 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.338 -2.043 -3.889 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.135 -3.099 -5.037 1.00 0.00 H new ATOM 0 HG SER A 96 -10.475 -1.397 -5.038 1.00 0.00 H new ATOM 1401 N SER A 97 -11.652 -4.281 -3.772 1.00 0.00 N ATOM 1402 CA SER A 97 -12.664 -5.202 -4.275 1.00 0.00 C ATOM 1403 C SER A 97 -12.382 -5.537 -5.733 1.00 0.00 C ATOM 1404 O SER A 97 -13.135 -5.158 -6.630 1.00 0.00 O ATOM 1405 CB SER A 97 -14.064 -4.613 -4.133 1.00 0.00 C ATOM 1406 OG SER A 97 -15.064 -5.588 -4.377 1.00 0.00 O ATOM 0 H SER A 97 -11.969 -3.317 -3.667 1.00 0.00 H new ATOM 0 HA SER A 97 -12.620 -6.115 -3.681 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.189 -4.205 -3.130 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.184 -3.784 -4.831 1.00 0.00 H new ATOM 0 HG SER A 97 -15.950 -5.180 -4.277 1.00 0.00 H new ATOM 1412 N SER A 98 -11.275 -6.241 -5.933 1.00 0.00 N ATOM 1413 CA SER A 98 -10.769 -6.650 -7.247 1.00 0.00 C ATOM 1414 C SER A 98 -10.565 -5.475 -8.213 1.00 0.00 C ATOM 1415 O SER A 98 -11.000 -4.348 -7.967 1.00 0.00 O ATOM 1416 CB SER A 98 -11.645 -7.745 -7.878 1.00 0.00 C ATOM 1417 OG SER A 98 -13.014 -7.380 -7.941 1.00 0.00 O ATOM 0 H SER A 98 -10.683 -6.555 -5.164 1.00 0.00 H new ATOM 0 HA SER A 98 -9.780 -7.071 -7.065 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.283 -7.960 -8.884 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.544 -8.664 -7.300 1.00 0.00 H new ATOM 0 HG SER A 98 -13.100 -6.411 -7.820 1.00 0.00 H new ATOM 1423 N SER A 99 -9.848 -5.748 -9.291 1.00 0.00 N ATOM 1424 CA SER A 99 -9.587 -4.766 -10.329 1.00 0.00 C ATOM 1425 C SER A 99 -9.302 -5.488 -11.639 1.00 0.00 C ATOM 1426 O SER A 99 -10.191 -5.505 -12.514 1.00 0.00 O ATOM 1427 CB SER A 99 -8.409 -3.862 -9.946 1.00 0.00 C ATOM 1428 OG SER A 99 -8.709 -3.089 -8.792 1.00 0.00 O ATOM 1429 OXT SER A 99 -8.215 -6.091 -11.758 1.00 0.00 O ATOM 0 H SER A 99 -9.429 -6.661 -9.471 1.00 0.00 H new ATOM 0 HA SER A 99 -10.465 -4.131 -10.447 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.525 -4.472 -9.759 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.169 -3.200 -10.778 1.00 0.00 H new ATOM 0 HG SER A 99 -9.598 -3.331 -8.458 1.00 0.00 H new TER 1435 SER A 99