USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 362 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 36 CYS SG : rot -97:sc= -0.793! USER MOD Set 1.2: A 45 SER OG : rot 134:sc= -0.731! USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ -119:sc= 0.125 (180deg=0) USER MOD Single : A 6 TYR OH : rot -43:sc= 0.925 USER MOD Single : A 7 THR OG1 : rot 42:sc= 0.32 USER MOD Single : A 8 SER OG : rot 12:sc= -0.822! USER MOD Single : A 10 THR OG1 : rot -94:sc= 1.06 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.4!) USER MOD Single : A 17 SER OG : rot 150:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00687 K(o=-0.0069,f=-1.2) USER MOD Single : A 25 SER OG : rot 121:sc= -0.215! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -4.13 K(o=-4.1,f=-10!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 38 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.4) USER MOD Single : A 41 SER OG : rot 28:sc= 0.134 USER MOD Single : A 46 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.39) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.023) USER MOD Single : A 59 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.027 -7.181 -6.090 1.00 0.00 N ATOM 2 CA ASP A 1 8.669 -6.917 -6.535 1.00 0.00 C ATOM 3 C ASP A 1 7.756 -6.778 -5.315 1.00 0.00 C ATOM 4 O ASP A 1 8.138 -7.142 -4.204 1.00 0.00 O ATOM 5 CB ASP A 1 8.138 -8.065 -7.395 1.00 0.00 C ATOM 6 CG ASP A 1 8.784 -8.191 -8.776 1.00 0.00 C ATOM 7 OD1 ASP A 1 8.850 -7.152 -9.468 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.196 -9.323 -9.109 1.00 0.00 O ATOM 0 H1 ASP A 1 10.653 -6.417 -6.415 1.00 0.00 H new ATOM 0 H2 ASP A 1 10.049 -7.229 -5.051 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.352 -8.086 -6.485 1.00 0.00 H new ATOM 0 HA ASP A 1 8.679 -6.000 -7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 1 8.284 -9.001 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 1 7.063 -7.936 -7.524 1.00 0.00 H new ATOM 13 N ILE A 2 6.566 -6.251 -5.564 1.00 0.00 N ATOM 14 CA ILE A 2 5.595 -6.059 -4.500 1.00 0.00 C ATOM 15 C ILE A 2 4.629 -7.245 -4.478 1.00 0.00 C ATOM 16 O ILE A 2 4.170 -7.657 -3.413 1.00 0.00 O ATOM 17 CB ILE A 2 4.901 -4.703 -4.646 1.00 0.00 C ATOM 18 CG1 ILE A 2 3.578 -4.843 -5.402 1.00 0.00 C ATOM 19 CG2 ILE A 2 5.831 -3.679 -5.300 1.00 0.00 C ATOM 20 CD1 ILE A 2 2.897 -3.483 -5.570 1.00 0.00 C ATOM 0 H ILE A 2 6.252 -5.951 -6.487 1.00 0.00 H new ATOM 0 HA ILE A 2 6.092 -6.034 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 2 4.664 -4.331 -3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.759 -5.286 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.917 -5.521 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.313 -2.724 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.722 -3.551 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.121 -4.031 -6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.959 -3.610 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.695 -3.053 -4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.551 -2.815 -6.131 1.00 0.00 H new ATOM 32 N GLU A 3 4.348 -7.761 -5.666 1.00 0.00 N ATOM 33 CA GLU A 3 3.444 -8.891 -5.796 1.00 0.00 C ATOM 34 C GLU A 3 3.906 -10.045 -4.903 1.00 0.00 C ATOM 35 O GLU A 3 3.086 -10.811 -4.400 1.00 0.00 O ATOM 36 CB GLU A 3 3.332 -9.338 -7.255 1.00 0.00 C ATOM 37 CG GLU A 3 4.694 -9.763 -7.805 1.00 0.00 C ATOM 38 CD GLU A 3 4.716 -11.260 -8.120 1.00 0.00 C ATOM 39 OE1 GLU A 3 4.333 -12.036 -7.218 1.00 0.00 O ATOM 40 OE2 GLU A 3 5.113 -11.595 -9.257 1.00 0.00 O ATOM 0 H GLU A 3 4.731 -7.417 -6.547 1.00 0.00 H new ATOM 0 HA GLU A 3 2.452 -8.578 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.630 -10.168 -7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.930 -8.524 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.919 -9.195 -8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.472 -9.529 -7.079 1.00 0.00 H new ATOM 47 N ASP A 4 5.217 -10.133 -4.735 1.00 0.00 N ATOM 48 CA ASP A 4 5.797 -11.180 -3.911 1.00 0.00 C ATOM 49 C ASP A 4 5.555 -10.856 -2.436 1.00 0.00 C ATOM 50 O ASP A 4 5.893 -11.650 -1.559 1.00 0.00 O ATOM 51 CB ASP A 4 7.308 -11.280 -4.131 1.00 0.00 C ATOM 52 CG ASP A 4 7.733 -11.587 -5.569 1.00 0.00 C ATOM 53 OD1 ASP A 4 6.823 -11.701 -6.418 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.959 -11.701 -5.786 1.00 0.00 O ATOM 0 H ASP A 4 5.894 -9.497 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 4 5.328 -12.125 -4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.768 -10.340 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.705 -12.057 -3.477 1.00 0.00 H new ATOM 59 N PHE A 5 4.970 -9.689 -2.207 1.00 0.00 N ATOM 60 CA PHE A 5 4.679 -9.251 -0.853 1.00 0.00 C ATOM 61 C PHE A 5 3.218 -8.817 -0.720 1.00 0.00 C ATOM 62 O PHE A 5 2.858 -8.118 0.226 1.00 0.00 O ATOM 63 CB PHE A 5 5.583 -8.051 -0.566 1.00 0.00 C ATOM 64 CG PHE A 5 6.938 -8.424 0.041 1.00 0.00 C ATOM 65 CD1 PHE A 5 7.063 -8.567 1.387 1.00 0.00 C ATOM 66 CD2 PHE A 5 8.016 -8.612 -0.767 1.00 0.00 C ATOM 67 CE1 PHE A 5 8.320 -8.913 1.950 1.00 0.00 C ATOM 68 CE2 PHE A 5 9.273 -8.957 -0.203 1.00 0.00 C ATOM 69 CZ PHE A 5 9.398 -9.101 1.143 1.00 0.00 C ATOM 0 H PHE A 5 4.690 -9.034 -2.937 1.00 0.00 H new ATOM 0 HA PHE A 5 4.853 -10.068 -0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.750 -7.505 -1.494 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.066 -7.374 0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.207 -8.418 2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.916 -8.499 -1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.420 -9.027 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.130 -9.105 -0.844 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.354 -9.365 1.571 1.00 0.00 H new ATOM 79 N TYR A 6 2.415 -9.248 -1.682 1.00 0.00 N ATOM 80 CA TYR A 6 1.002 -8.912 -1.685 1.00 0.00 C ATOM 81 C TYR A 6 0.228 -9.789 -0.698 1.00 0.00 C ATOM 82 O TYR A 6 0.189 -11.010 -0.844 1.00 0.00 O ATOM 83 CB TYR A 6 0.503 -9.199 -3.102 1.00 0.00 C ATOM 84 CG TYR A 6 -0.924 -8.714 -3.370 1.00 0.00 C ATOM 85 CD1 TYR A 6 -1.465 -7.704 -2.600 1.00 0.00 C ATOM 86 CD2 TYR A 6 -1.669 -9.285 -4.381 1.00 0.00 C ATOM 87 CE1 TYR A 6 -2.807 -7.247 -2.852 1.00 0.00 C ATOM 88 CE2 TYR A 6 -3.011 -8.829 -4.633 1.00 0.00 C ATOM 89 CZ TYR A 6 -3.514 -7.832 -3.856 1.00 0.00 C ATOM 90 OH TYR A 6 -4.782 -7.401 -4.093 1.00 0.00 O ATOM 0 H TYR A 6 2.717 -9.827 -2.465 1.00 0.00 H new ATOM 0 HA TYR A 6 0.854 -7.873 -1.392 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.177 -8.726 -3.816 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.551 -10.273 -3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.882 -7.257 -1.809 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.245 -10.075 -4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.242 -6.458 -2.257 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.605 -9.268 -5.421 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.251 -7.281 -3.241 1.00 0.00 H new ATOM 100 N THR A 7 -0.368 -9.132 0.286 1.00 0.00 N ATOM 101 CA THR A 7 -1.139 -9.837 1.297 1.00 0.00 C ATOM 102 C THR A 7 -2.637 -9.675 1.035 1.00 0.00 C ATOM 103 O THR A 7 -3.283 -8.807 1.621 1.00 0.00 O ATOM 104 CB THR A 7 -0.702 -9.320 2.669 1.00 0.00 C ATOM 105 OG1 THR A 7 -1.044 -7.936 2.644 1.00 0.00 O ATOM 106 CG2 THR A 7 0.818 -9.325 2.841 1.00 0.00 C ATOM 0 H THR A 7 -0.333 -8.120 0.405 1.00 0.00 H new ATOM 0 HA THR A 7 -0.950 -10.910 1.262 1.00 0.00 H new ATOM 0 HB THR A 7 -1.157 -9.932 3.448 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.924 -7.824 2.227 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.073 -8.949 3.832 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.193 -10.342 2.731 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.272 -8.687 2.083 1.00 0.00 H new ATOM 114 N SER A 8 -3.147 -10.523 0.154 1.00 0.00 N ATOM 115 CA SER A 8 -4.557 -10.485 -0.193 1.00 0.00 C ATOM 116 C SER A 8 -5.406 -10.857 1.025 1.00 0.00 C ATOM 117 O SER A 8 -6.627 -10.709 1.003 1.00 0.00 O ATOM 118 CB SER A 8 -4.863 -11.426 -1.360 1.00 0.00 C ATOM 119 OG SER A 8 -6.198 -11.920 -1.311 1.00 0.00 O ATOM 0 H SER A 8 -2.608 -11.241 -0.330 1.00 0.00 H new ATOM 0 HA SER A 8 -4.805 -9.470 -0.505 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.706 -10.899 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.166 -12.264 -1.343 1.00 0.00 H new ATOM 0 HG SER A 8 -6.710 -11.413 -0.646 1.00 0.00 H new ATOM 125 N GLU A 9 -4.725 -11.332 2.058 1.00 0.00 N ATOM 126 CA GLU A 9 -5.401 -11.726 3.282 1.00 0.00 C ATOM 127 C GLU A 9 -5.941 -10.494 4.010 1.00 0.00 C ATOM 128 O GLU A 9 -7.141 -10.394 4.263 1.00 0.00 O ATOM 129 CB GLU A 9 -4.470 -12.534 4.187 1.00 0.00 C ATOM 130 CG GLU A 9 -5.145 -13.824 4.658 1.00 0.00 C ATOM 131 CD GLU A 9 -4.173 -14.689 5.464 1.00 0.00 C ATOM 132 OE1 GLU A 9 -3.118 -15.039 4.893 1.00 0.00 O ATOM 133 OE2 GLU A 9 -4.508 -14.980 6.632 1.00 0.00 O ATOM 0 H GLU A 9 -3.712 -11.453 2.072 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.243 -12.366 3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.553 -12.775 3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.184 -11.933 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.014 -13.582 5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.508 -14.385 3.796 1.00 0.00 H new ATOM 140 N THR A 10 -5.030 -9.587 4.327 1.00 0.00 N ATOM 141 CA THR A 10 -5.399 -8.365 5.022 1.00 0.00 C ATOM 142 C THR A 10 -5.856 -7.301 4.022 1.00 0.00 C ATOM 143 O THR A 10 -6.678 -6.447 4.351 1.00 0.00 O ATOM 144 CB THR A 10 -4.207 -7.926 5.874 1.00 0.00 C ATOM 145 OG1 THR A 10 -4.463 -6.552 6.148 1.00 0.00 O ATOM 146 CG2 THR A 10 -2.897 -7.911 5.084 1.00 0.00 C ATOM 0 H THR A 10 -4.036 -9.673 4.115 1.00 0.00 H new ATOM 0 HA THR A 10 -6.248 -8.529 5.686 1.00 0.00 H new ATOM 0 HB THR A 10 -4.107 -8.594 6.730 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.011 -5.995 5.480 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.083 -7.592 5.735 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.689 -8.912 4.706 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.985 -7.218 4.247 1.00 0.00 H new ATOM 154 N CYS A 11 -5.302 -7.386 2.821 1.00 0.00 N ATOM 155 CA CYS A 11 -5.641 -6.440 1.772 1.00 0.00 C ATOM 156 C CYS A 11 -7.122 -6.617 1.427 1.00 0.00 C ATOM 157 O CYS A 11 -7.609 -7.741 1.323 1.00 0.00 O ATOM 158 CB CYS A 11 -4.745 -6.612 0.543 1.00 0.00 C ATOM 159 SG CYS A 11 -4.690 -5.165 -0.575 1.00 0.00 S ATOM 0 H CYS A 11 -4.621 -8.096 2.551 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.469 -5.424 2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.732 -6.833 0.878 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.090 -7.478 -0.023 1.00 0.00 H new ATOM 164 N PRO A 12 -7.814 -5.459 1.255 1.00 0.00 N ATOM 165 CA PRO A 12 -9.228 -5.475 0.924 1.00 0.00 C ATOM 166 C PRO A 12 -9.445 -5.862 -0.540 1.00 0.00 C ATOM 167 O PRO A 12 -10.569 -6.146 -0.951 1.00 0.00 O ATOM 168 CB PRO A 12 -9.724 -4.074 1.247 1.00 0.00 C ATOM 169 CG PRO A 12 -8.484 -3.197 1.305 1.00 0.00 C ATOM 170 CD PRO A 12 -7.270 -4.109 1.370 1.00 0.00 C ATOM 0 HA PRO A 12 -9.784 -6.221 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.418 -3.720 0.485 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.259 -4.058 2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.431 -2.553 0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.518 -2.545 2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.570 -3.894 0.563 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.727 -3.979 2.306 1.00 0.00 H new ATOM 178 N TYR A 13 -8.351 -5.862 -1.287 1.00 0.00 N ATOM 179 CA TYR A 13 -8.407 -6.210 -2.697 1.00 0.00 C ATOM 180 C TYR A 13 -7.587 -7.470 -2.983 1.00 0.00 C ATOM 181 O TYR A 13 -6.494 -7.639 -2.445 1.00 0.00 O ATOM 182 CB TYR A 13 -7.786 -5.031 -3.448 1.00 0.00 C ATOM 183 CG TYR A 13 -8.393 -3.674 -3.085 1.00 0.00 C ATOM 184 CD1 TYR A 13 -9.503 -3.211 -3.763 1.00 0.00 C ATOM 185 CD2 TYR A 13 -7.832 -2.913 -2.080 1.00 0.00 C ATOM 186 CE1 TYR A 13 -10.074 -1.934 -3.422 1.00 0.00 C ATOM 187 CE2 TYR A 13 -8.403 -1.636 -1.739 1.00 0.00 C ATOM 188 CZ TYR A 13 -9.496 -1.209 -2.427 1.00 0.00 C ATOM 189 OH TYR A 13 -10.036 -0.003 -2.105 1.00 0.00 O ATOM 0 H TYR A 13 -7.420 -5.627 -0.943 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.435 -6.406 -3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.716 -5.006 -3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.901 -5.194 -4.519 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.943 -3.807 -4.549 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.964 -3.275 -1.549 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.942 -1.560 -3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.973 -1.031 -0.955 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.521 0.402 -1.376 1.00 0.00 H new ATOM 199 N LYS A 14 -8.146 -8.321 -3.831 1.00 0.00 N ATOM 200 CA LYS A 14 -7.480 -9.560 -4.195 1.00 0.00 C ATOM 201 C LYS A 14 -7.485 -9.708 -5.718 1.00 0.00 C ATOM 202 O LYS A 14 -7.542 -10.822 -6.237 1.00 0.00 O ATOM 203 CB LYS A 14 -8.112 -10.744 -3.460 1.00 0.00 C ATOM 204 CG LYS A 14 -9.636 -10.613 -3.417 1.00 0.00 C ATOM 205 CD LYS A 14 -10.241 -10.790 -4.811 1.00 0.00 C ATOM 206 CE LYS A 14 -10.621 -9.439 -5.420 1.00 0.00 C ATOM 207 NZ LYS A 14 -11.777 -9.587 -6.332 1.00 0.00 N ATOM 0 H LYS A 14 -9.052 -8.177 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.437 -9.539 -3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.837 -11.674 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.719 -10.798 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.050 -11.360 -2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.910 -9.636 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.527 -11.297 -5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.124 -11.426 -4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.864 -8.732 -4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.771 -9.027 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.021 -8.660 -6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.532 -10.246 -7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.591 -9.959 -5.803 1.00 0.00 H new ATOM 221 N ASN A 15 -7.426 -8.568 -6.391 1.00 0.00 N ATOM 222 CA ASN A 15 -7.423 -8.557 -7.844 1.00 0.00 C ATOM 223 C ASN A 15 -5.983 -8.425 -8.346 1.00 0.00 C ATOM 224 O ASN A 15 -5.587 -9.107 -9.290 1.00 0.00 O ATOM 225 CB ASN A 15 -8.223 -7.371 -8.387 1.00 0.00 C ATOM 226 CG ASN A 15 -9.076 -7.789 -9.586 1.00 0.00 C ATOM 227 OD1 ASN A 15 -8.866 -8.821 -10.201 1.00 0.00 O ATOM 228 ND2 ASN A 15 -10.049 -6.931 -9.883 1.00 0.00 N ATOM 0 H ASN A 15 -7.380 -7.646 -5.957 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.876 -9.486 -8.189 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.864 -6.970 -7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.542 -6.572 -8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.674 -7.120 -10.667 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.170 -6.085 -9.327 1.00 0.00 H new ATOM 235 N ASP A 16 -5.241 -7.544 -7.692 1.00 0.00 N ATOM 236 CA ASP A 16 -3.854 -7.315 -8.060 1.00 0.00 C ATOM 237 C ASP A 16 -3.153 -6.547 -6.937 1.00 0.00 C ATOM 238 O ASP A 16 -3.789 -5.787 -6.209 1.00 0.00 O ATOM 239 CB ASP A 16 -3.754 -6.479 -9.338 1.00 0.00 C ATOM 240 CG ASP A 16 -2.659 -6.916 -10.312 1.00 0.00 C ATOM 241 OD1 ASP A 16 -2.281 -8.106 -10.245 1.00 0.00 O ATOM 242 OD2 ASP A 16 -2.223 -6.051 -11.102 1.00 0.00 O ATOM 0 H ASP A 16 -5.574 -6.980 -6.910 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.385 -8.285 -8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.714 -6.515 -9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.580 -5.439 -9.061 1.00 0.00 H new ATOM 247 N SER A 17 -1.852 -6.774 -6.832 1.00 0.00 N ATOM 248 CA SER A 17 -1.058 -6.113 -5.810 1.00 0.00 C ATOM 249 C SER A 17 -0.910 -4.627 -6.141 1.00 0.00 C ATOM 250 O SER A 17 -0.891 -3.786 -5.244 1.00 0.00 O ATOM 251 CB SER A 17 0.319 -6.766 -5.674 1.00 0.00 C ATOM 252 OG SER A 17 1.000 -6.841 -6.924 1.00 0.00 O ATOM 0 H SER A 17 -1.328 -7.406 -7.437 1.00 0.00 H new ATOM 0 HA SER A 17 -1.575 -6.216 -4.856 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.922 -6.197 -4.966 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.206 -7.769 -5.262 1.00 0.00 H new ATOM 0 HG SER A 17 1.967 -6.793 -6.773 1.00 0.00 H new ATOM 258 N GLN A 18 -0.809 -4.349 -7.433 1.00 0.00 N ATOM 259 CA GLN A 18 -0.663 -2.979 -7.894 1.00 0.00 C ATOM 260 C GLN A 18 -1.986 -2.225 -7.744 1.00 0.00 C ATOM 261 O GLN A 18 -1.998 -0.998 -7.654 1.00 0.00 O ATOM 262 CB GLN A 18 -0.170 -2.937 -9.342 1.00 0.00 C ATOM 263 CG GLN A 18 1.258 -3.476 -9.450 1.00 0.00 C ATOM 264 CD GLN A 18 1.673 -3.640 -10.914 1.00 0.00 C ATOM 265 OE1 GLN A 18 0.853 -3.709 -11.814 1.00 0.00 O ATOM 266 NE2 GLN A 18 2.989 -3.697 -11.100 1.00 0.00 N ATOM 0 H GLN A 18 -0.825 -5.049 -8.174 1.00 0.00 H new ATOM 0 HA GLN A 18 0.087 -2.486 -7.275 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -0.834 -3.527 -9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.205 -1.912 -9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.946 -2.796 -8.947 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.328 -4.436 -8.939 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.620 -3.633 -10.301 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.367 -3.805 -12.041 1.00 0.00 H new ATOM 275 N LEU A 19 -3.067 -2.990 -7.721 1.00 0.00 N ATOM 276 CA LEU A 19 -4.392 -2.409 -7.583 1.00 0.00 C ATOM 277 C LEU A 19 -4.507 -1.729 -6.218 1.00 0.00 C ATOM 278 O LEU A 19 -4.753 -0.527 -6.137 1.00 0.00 O ATOM 279 CB LEU A 19 -5.469 -3.466 -7.837 1.00 0.00 C ATOM 280 CG LEU A 19 -6.875 -3.124 -7.339 1.00 0.00 C ATOM 281 CD1 LEU A 19 -6.993 -3.352 -5.831 1.00 0.00 C ATOM 282 CD2 LEU A 19 -7.265 -1.698 -7.735 1.00 0.00 C ATOM 0 H LEU A 19 -3.053 -4.007 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.550 -1.638 -8.337 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.520 -3.653 -8.910 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.155 -4.397 -7.366 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.582 -3.798 -7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.002 -3.101 -5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.787 -4.398 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.274 -2.719 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.268 -1.480 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.558 -0.993 -7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.246 -1.604 -8.821 1.00 0.00 H new ATOM 294 N ALA A 20 -4.322 -2.529 -5.177 1.00 0.00 N ATOM 295 CA ALA A 20 -4.402 -2.019 -3.819 1.00 0.00 C ATOM 296 C ALA A 20 -3.348 -0.927 -3.626 1.00 0.00 C ATOM 297 O ALA A 20 -3.577 0.040 -2.901 1.00 0.00 O ATOM 298 CB ALA A 20 -4.233 -3.174 -2.829 1.00 0.00 C ATOM 0 H ALA A 20 -4.117 -3.526 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.378 -1.571 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.293 -2.792 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.023 -3.908 -2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.263 -3.646 -2.983 1.00 0.00 H new ATOM 304 N TRP A 21 -2.216 -1.118 -4.287 1.00 0.00 N ATOM 305 CA TRP A 21 -1.126 -0.161 -4.197 1.00 0.00 C ATOM 306 C TRP A 21 -1.578 1.135 -4.872 1.00 0.00 C ATOM 307 O TRP A 21 -1.299 2.226 -4.379 1.00 0.00 O ATOM 308 CB TRP A 21 0.158 -0.734 -4.801 1.00 0.00 C ATOM 309 CG TRP A 21 1.200 0.325 -5.166 1.00 0.00 C ATOM 310 CD1 TRP A 21 1.164 1.203 -6.177 1.00 0.00 C ATOM 311 CD2 TRP A 21 2.442 0.582 -4.477 1.00 0.00 C ATOM 312 NE1 TRP A 21 2.288 2.005 -6.191 1.00 0.00 N ATOM 313 CE2 TRP A 21 3.089 1.615 -5.124 1.00 0.00 C ATOM 314 CE3 TRP A 21 2.999 -0.037 -3.345 1.00 0.00 C ATOM 315 CZ2 TRP A 21 4.329 2.120 -4.713 1.00 0.00 C ATOM 316 CZ3 TRP A 21 4.239 0.479 -2.947 1.00 0.00 C ATOM 317 CH2 TRP A 21 4.903 1.518 -3.587 1.00 0.00 C ATOM 0 H TRP A 21 -2.030 -1.921 -4.887 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.887 0.054 -3.156 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.600 -1.435 -4.092 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.096 -1.303 -5.695 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.357 1.275 -6.891 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.493 2.747 -6.861 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.510 -0.846 -2.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.816 2.930 -5.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.712 0.038 -2.082 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.858 1.860 -3.217 1.00 0.00 H new ATOM 328 N ASP A 22 -2.269 0.972 -5.991 1.00 0.00 N ATOM 329 CA ASP A 22 -2.763 2.116 -6.739 1.00 0.00 C ATOM 330 C ASP A 22 -3.789 2.869 -5.892 1.00 0.00 C ATOM 331 O ASP A 22 -4.155 3.999 -6.213 1.00 0.00 O ATOM 332 CB ASP A 22 -3.450 1.673 -8.032 1.00 0.00 C ATOM 333 CG ASP A 22 -2.621 1.863 -9.304 1.00 0.00 C ATOM 334 OD1 ASP A 22 -1.742 1.007 -9.541 1.00 0.00 O ATOM 335 OD2 ASP A 22 -2.885 2.860 -10.009 1.00 0.00 O ATOM 0 H ASP A 22 -2.498 0.065 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.912 2.753 -6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.714 0.619 -7.943 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.383 2.227 -8.138 1.00 0.00 H new ATOM 340 N THR A 23 -4.225 2.214 -4.826 1.00 0.00 N ATOM 341 CA THR A 23 -5.203 2.808 -3.930 1.00 0.00 C ATOM 342 C THR A 23 -4.501 3.612 -2.833 1.00 0.00 C ATOM 343 O THR A 23 -4.840 4.770 -2.594 1.00 0.00 O ATOM 344 CB THR A 23 -6.090 1.687 -3.388 1.00 0.00 C ATOM 345 OG1 THR A 23 -7.335 1.874 -4.057 1.00 0.00 O ATOM 346 CG2 THR A 23 -6.432 1.873 -1.908 1.00 0.00 C ATOM 0 H THR A 23 -3.919 1.277 -4.562 1.00 0.00 H new ATOM 0 HA THR A 23 -5.840 3.520 -4.455 1.00 0.00 H new ATOM 0 HB THR A 23 -5.588 0.729 -3.527 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.970 1.187 -3.765 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.063 1.050 -1.574 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.513 1.887 -1.321 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.963 2.815 -1.773 1.00 0.00 H new ATOM 354 N CYS A 24 -3.536 2.966 -2.196 1.00 0.00 N ATOM 355 CA CYS A 24 -2.784 3.606 -1.130 1.00 0.00 C ATOM 356 C CYS A 24 -1.657 4.426 -1.763 1.00 0.00 C ATOM 357 O CYS A 24 -1.700 5.655 -1.756 1.00 0.00 O ATOM 358 CB CYS A 24 -2.251 2.586 -0.122 1.00 0.00 C ATOM 359 SG CYS A 24 -0.560 2.923 0.490 1.00 0.00 S ATOM 0 H CYS A 24 -3.257 2.006 -2.397 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.440 4.268 -0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.930 2.549 0.730 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.265 1.599 -0.584 1.00 0.00 H new ATOM 364 N SER A 25 -0.676 3.712 -2.294 1.00 0.00 N ATOM 365 CA SER A 25 0.460 4.358 -2.929 1.00 0.00 C ATOM 366 C SER A 25 0.086 4.799 -4.346 1.00 0.00 C ATOM 367 O SER A 25 0.788 4.481 -5.304 1.00 0.00 O ATOM 368 CB SER A 25 1.673 3.426 -2.966 1.00 0.00 C ATOM 369 OG SER A 25 1.318 2.075 -2.684 1.00 0.00 O ATOM 0 H SER A 25 -0.644 2.693 -2.298 1.00 0.00 H new ATOM 0 HA SER A 25 0.728 5.236 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.142 3.480 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.413 3.765 -2.241 1.00 0.00 H new ATOM 0 HG SER A 25 1.562 1.507 -3.444 1.00 0.00 H new ATOM 375 N GLY A 26 -1.018 5.526 -4.432 1.00 0.00 N ATOM 376 CA GLY A 26 -1.493 6.015 -5.716 1.00 0.00 C ATOM 377 C GLY A 26 -1.658 7.536 -5.696 1.00 0.00 C ATOM 378 O GLY A 26 -2.023 8.137 -6.705 1.00 0.00 O ATOM 0 H GLY A 26 -1.597 5.788 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.790 5.732 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.446 5.545 -5.958 1.00 0.00 H new ATOM 382 N GLY A 27 -1.381 8.114 -4.537 1.00 0.00 N ATOM 383 CA GLY A 27 -1.493 9.554 -4.373 1.00 0.00 C ATOM 384 C GLY A 27 -2.747 9.918 -3.575 1.00 0.00 C ATOM 385 O GLY A 27 -2.685 10.729 -2.652 1.00 0.00 O ATOM 0 H GLY A 27 -1.079 7.612 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.609 9.935 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.528 10.034 -5.351 1.00 0.00 H new ATOM 389 N THR A 28 -3.854 9.301 -3.959 1.00 0.00 N ATOM 390 CA THR A 28 -5.120 9.550 -3.291 1.00 0.00 C ATOM 391 C THR A 28 -5.693 8.247 -2.730 1.00 0.00 C ATOM 392 O THR A 28 -5.106 7.180 -2.906 1.00 0.00 O ATOM 393 CB THR A 28 -6.052 10.245 -4.286 1.00 0.00 C ATOM 394 OG1 THR A 28 -6.178 9.310 -5.354 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.405 11.469 -4.937 1.00 0.00 C ATOM 0 H THR A 28 -3.901 8.629 -4.725 1.00 0.00 H new ATOM 0 HA THR A 28 -4.990 10.208 -2.432 1.00 0.00 H new ATOM 0 HB THR A 28 -6.968 10.546 -3.777 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.768 9.679 -6.044 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.108 11.925 -5.634 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.137 12.192 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.508 11.163 -5.475 1.00 0.00 H new ATOM 403 N GLY A 29 -6.832 8.376 -2.066 1.00 0.00 N ATOM 404 CA GLY A 29 -7.491 7.222 -1.479 1.00 0.00 C ATOM 405 C GLY A 29 -7.080 7.042 -0.016 1.00 0.00 C ATOM 406 O GLY A 29 -7.016 8.011 0.738 1.00 0.00 O ATOM 0 H GLY A 29 -7.315 9.262 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.572 7.344 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.236 6.326 -2.045 1.00 0.00 H new ATOM 410 N ASN A 30 -6.811 5.794 0.341 1.00 0.00 N ATOM 411 CA ASN A 30 -6.408 5.475 1.699 1.00 0.00 C ATOM 412 C ASN A 30 -4.880 5.441 1.779 1.00 0.00 C ATOM 413 O ASN A 30 -4.310 4.607 2.481 1.00 0.00 O ATOM 414 CB ASN A 30 -6.934 4.101 2.121 1.00 0.00 C ATOM 415 CG ASN A 30 -6.498 3.019 1.132 1.00 0.00 C ATOM 416 OD1 ASN A 30 -5.399 3.032 0.602 1.00 0.00 O ATOM 417 ND2 ASN A 30 -7.418 2.084 0.912 1.00 0.00 N ATOM 0 H ASN A 30 -6.865 4.992 -0.287 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.819 6.238 2.360 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.566 3.857 3.118 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.022 4.127 2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.223 1.319 0.267 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.318 2.132 1.389 1.00 0.00 H new ATOM 424 N CYS A 31 -4.261 6.357 1.049 1.00 0.00 N ATOM 425 CA CYS A 31 -2.811 6.443 1.028 1.00 0.00 C ATOM 426 C CYS A 31 -2.329 6.785 2.440 1.00 0.00 C ATOM 427 O CYS A 31 -2.840 7.713 3.065 1.00 0.00 O ATOM 428 CB CYS A 31 -2.319 7.458 -0.005 1.00 0.00 C ATOM 429 SG CYS A 31 -2.471 9.209 0.507 1.00 0.00 S ATOM 0 H CYS A 31 -4.737 7.046 0.467 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.392 5.484 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.273 7.249 -0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.878 7.315 -0.930 1.00 0.00 H new ATOM 434 N GLY A 32 -1.352 6.018 2.900 1.00 0.00 N ATOM 435 CA GLY A 32 -0.796 6.229 4.225 1.00 0.00 C ATOM 436 C GLY A 32 0.230 5.146 4.568 1.00 0.00 C ATOM 437 O GLY A 32 0.542 4.296 3.736 1.00 0.00 O ATOM 0 H GLY A 32 -0.931 5.249 2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.324 7.210 4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.597 6.224 4.964 1.00 0.00 H new ATOM 441 N THR A 33 0.726 5.213 5.795 1.00 0.00 N ATOM 442 CA THR A 33 1.710 4.250 6.258 1.00 0.00 C ATOM 443 C THR A 33 1.018 2.988 6.776 1.00 0.00 C ATOM 444 O THR A 33 1.680 2.014 7.131 1.00 0.00 O ATOM 445 CB THR A 33 2.587 4.937 7.306 1.00 0.00 C ATOM 446 OG1 THR A 33 3.180 6.025 6.604 1.00 0.00 O ATOM 447 CG2 THR A 33 3.778 4.074 7.730 1.00 0.00 C ATOM 0 H THR A 33 0.464 5.920 6.483 1.00 0.00 H new ATOM 0 HA THR A 33 2.353 3.918 5.443 1.00 0.00 H new ATOM 0 HB THR A 33 1.984 5.179 8.181 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.764 6.526 7.211 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.368 4.608 8.475 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.416 3.139 8.157 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.400 3.860 6.861 1.00 0.00 H new ATOM 455 N VAL A 34 -0.306 3.047 6.804 1.00 0.00 N ATOM 456 CA VAL A 34 -1.095 1.921 7.274 1.00 0.00 C ATOM 457 C VAL A 34 -1.096 0.824 6.207 1.00 0.00 C ATOM 458 O VAL A 34 -0.979 -0.358 6.527 1.00 0.00 O ATOM 459 CB VAL A 34 -2.502 2.389 7.651 1.00 0.00 C ATOM 460 CG1 VAL A 34 -3.422 1.197 7.923 1.00 0.00 C ATOM 461 CG2 VAL A 34 -2.461 3.335 8.853 1.00 0.00 C ATOM 0 H VAL A 34 -0.852 3.857 6.509 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.655 1.497 8.177 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.910 2.940 6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.416 1.558 8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.488 0.577 7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.018 0.606 8.745 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.474 3.653 9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.024 2.819 9.708 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.856 4.208 8.608 1.00 0.00 H new ATOM 471 N CYS A 35 -1.228 1.255 4.961 1.00 0.00 N ATOM 472 CA CYS A 35 -1.246 0.324 3.845 1.00 0.00 C ATOM 473 C CYS A 35 0.106 -0.391 3.795 1.00 0.00 C ATOM 474 O CYS A 35 0.249 -1.409 3.119 1.00 0.00 O ATOM 475 CB CYS A 35 -1.568 1.029 2.526 1.00 0.00 C ATOM 476 SG CYS A 35 -0.236 0.960 1.274 1.00 0.00 S ATOM 0 H CYS A 35 -1.323 2.236 4.700 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.039 -0.409 3.992 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.469 0.584 2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.797 2.074 2.735 1.00 0.00 H new ATOM 481 N CYS A 36 1.063 0.170 4.519 1.00 0.00 N ATOM 482 CA CYS A 36 2.399 -0.402 4.566 1.00 0.00 C ATOM 483 C CYS A 36 2.279 -1.868 4.985 1.00 0.00 C ATOM 484 O CYS A 36 2.801 -2.755 4.311 1.00 0.00 O ATOM 485 CB CYS A 36 3.319 0.386 5.500 1.00 0.00 C ATOM 486 SG CYS A 36 3.356 -0.216 7.228 1.00 0.00 S ATOM 0 H CYS A 36 0.941 1.014 5.078 1.00 0.00 H new ATOM 0 HA CYS A 36 2.857 -0.344 3.579 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.332 0.358 5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.005 1.430 5.500 1.00 0.00 H new ATOM 0 HG CYS A 36 2.536 0.488 7.950 1.00 0.00 H new ATOM 491 N GLY A 37 1.589 -2.078 6.097 1.00 0.00 N ATOM 492 CA GLY A 37 1.395 -3.422 6.614 1.00 0.00 C ATOM 493 C GLY A 37 -0.080 -3.825 6.552 1.00 0.00 C ATOM 494 O GLY A 37 -0.595 -4.453 7.476 1.00 0.00 O ATOM 0 H GLY A 37 1.158 -1.340 6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.993 -4.127 6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.747 -3.474 7.644 1.00 0.00 H new ATOM 498 N GLN A 38 -0.718 -3.448 5.454 1.00 0.00 N ATOM 499 CA GLN A 38 -2.123 -3.763 5.259 1.00 0.00 C ATOM 500 C GLN A 38 -2.309 -4.599 3.992 1.00 0.00 C ATOM 501 O GLN A 38 -3.038 -5.590 3.999 1.00 0.00 O ATOM 502 CB GLN A 38 -2.967 -2.488 5.204 1.00 0.00 C ATOM 503 CG GLN A 38 -4.334 -2.708 5.857 1.00 0.00 C ATOM 504 CD GLN A 38 -4.206 -2.804 7.378 1.00 0.00 C ATOM 505 OE1 GLN A 38 -3.149 -2.603 7.952 1.00 0.00 O ATOM 506 NE2 GLN A 38 -5.339 -3.123 7.997 1.00 0.00 N ATOM 0 H GLN A 38 -0.288 -2.927 4.690 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.466 -4.350 6.111 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.443 -1.678 5.712 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.100 -2.180 4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.002 -1.887 5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.784 -3.621 5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.190 -3.278 7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.357 -3.213 9.013 1.00 0.00 H new ATOM 515 N CYS A 39 -1.637 -4.169 2.934 1.00 0.00 N ATOM 516 CA CYS A 39 -1.720 -4.865 1.661 1.00 0.00 C ATOM 517 C CYS A 39 -0.344 -5.456 1.347 1.00 0.00 C ATOM 518 O CYS A 39 -0.239 -6.447 0.626 1.00 0.00 O ATOM 519 CB CYS A 39 -2.214 -3.945 0.543 1.00 0.00 C ATOM 520 SG CYS A 39 -4.009 -3.588 0.581 1.00 0.00 S ATOM 0 H CYS A 39 -1.033 -3.347 2.932 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.453 -5.668 1.730 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.669 -3.003 0.599 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.968 -4.399 -0.417 1.00 0.00 H new ATOM 525 N PHE A 40 0.678 -4.822 1.904 1.00 0.00 N ATOM 526 CA PHE A 40 2.043 -5.272 1.692 1.00 0.00 C ATOM 527 C PHE A 40 2.829 -5.278 3.005 1.00 0.00 C ATOM 528 O PHE A 40 2.261 -5.054 4.073 1.00 0.00 O ATOM 529 CB PHE A 40 2.696 -4.282 0.725 1.00 0.00 C ATOM 530 CG PHE A 40 1.721 -3.649 -0.269 1.00 0.00 C ATOM 531 CD1 PHE A 40 0.997 -2.555 0.091 1.00 0.00 C ATOM 532 CD2 PHE A 40 1.578 -4.178 -1.514 1.00 0.00 C ATOM 533 CE1 PHE A 40 0.092 -1.967 -0.831 1.00 0.00 C ATOM 534 CE2 PHE A 40 0.673 -3.590 -2.436 1.00 0.00 C ATOM 535 CZ PHE A 40 -0.051 -2.497 -2.076 1.00 0.00 C ATOM 0 H PHE A 40 0.588 -4.000 2.502 1.00 0.00 H new ATOM 0 HA PHE A 40 2.042 -6.287 1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.177 -3.491 1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.482 -4.796 0.171 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.111 -2.134 1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.153 -5.046 -1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.483 -1.099 -0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.559 -4.011 -3.424 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.739 -2.050 -2.778 1.00 0.00 H new ATOM 545 N SER A 41 4.122 -5.536 2.882 1.00 0.00 N ATOM 546 CA SER A 41 4.992 -5.573 4.046 1.00 0.00 C ATOM 547 C SER A 41 6.416 -5.179 3.649 1.00 0.00 C ATOM 548 O SER A 41 6.792 -5.291 2.483 1.00 0.00 O ATOM 549 CB SER A 41 4.986 -6.960 4.693 1.00 0.00 C ATOM 550 OG SER A 41 3.951 -7.093 5.663 1.00 0.00 O ATOM 0 H SER A 41 4.589 -5.722 1.994 1.00 0.00 H new ATOM 0 HA SER A 41 4.615 -4.858 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.859 -7.719 3.921 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.951 -7.144 5.165 1.00 0.00 H new ATOM 0 HG SER A 41 3.205 -6.502 5.429 1.00 0.00 H new ATOM 556 N PHE A 42 7.168 -4.724 4.640 1.00 0.00 N ATOM 557 CA PHE A 42 8.542 -4.312 4.409 1.00 0.00 C ATOM 558 C PHE A 42 9.350 -5.438 3.762 1.00 0.00 C ATOM 559 O PHE A 42 9.008 -6.611 3.900 1.00 0.00 O ATOM 560 CB PHE A 42 9.147 -3.985 5.775 1.00 0.00 C ATOM 561 CG PHE A 42 9.801 -2.604 5.852 1.00 0.00 C ATOM 562 CD1 PHE A 42 9.033 -1.484 5.787 1.00 0.00 C ATOM 563 CD2 PHE A 42 11.150 -2.497 5.986 1.00 0.00 C ATOM 564 CE1 PHE A 42 9.640 -0.202 5.859 1.00 0.00 C ATOM 565 CE2 PHE A 42 11.757 -1.215 6.058 1.00 0.00 C ATOM 566 CZ PHE A 42 10.989 -0.095 5.992 1.00 0.00 C ATOM 0 H PHE A 42 6.852 -4.632 5.605 1.00 0.00 H new ATOM 0 HA PHE A 42 8.565 -3.453 3.738 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.365 -4.048 6.532 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.891 -4.742 6.022 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.962 -1.569 5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.760 -3.387 6.038 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.030 0.688 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.828 -1.130 6.165 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.451 0.880 6.045 1.00 0.00 H new ATOM 576 N PRO A 43 10.436 -5.031 3.052 1.00 0.00 N ATOM 577 CA PRO A 43 10.771 -3.622 2.938 1.00 0.00 C ATOM 578 C PRO A 43 9.827 -2.910 1.968 1.00 0.00 C ATOM 579 O PRO A 43 10.048 -1.752 1.617 1.00 0.00 O ATOM 580 CB PRO A 43 12.221 -3.597 2.482 1.00 0.00 C ATOM 581 CG PRO A 43 12.501 -4.978 1.910 1.00 0.00 C ATOM 582 CD PRO A 43 11.371 -5.898 2.340 1.00 0.00 C ATOM 0 HA PRO A 43 10.654 -3.085 3.879 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.381 -2.823 1.731 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.889 -3.376 3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.566 -4.935 0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.458 -5.354 2.271 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.896 -6.370 1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.736 -6.699 2.983 1.00 0.00 H new ATOM 590 N VAL A 44 8.793 -3.632 1.561 1.00 0.00 N ATOM 591 CA VAL A 44 7.814 -3.084 0.638 1.00 0.00 C ATOM 592 C VAL A 44 6.966 -2.037 1.363 1.00 0.00 C ATOM 593 O VAL A 44 6.627 -1.003 0.790 1.00 0.00 O ATOM 594 CB VAL A 44 6.979 -4.213 0.031 1.00 0.00 C ATOM 595 CG1 VAL A 44 6.374 -3.787 -1.309 1.00 0.00 C ATOM 596 CG2 VAL A 44 7.810 -5.488 -0.123 1.00 0.00 C ATOM 0 H VAL A 44 8.612 -4.592 1.854 1.00 0.00 H new ATOM 0 HA VAL A 44 8.311 -2.582 -0.192 1.00 0.00 H new ATOM 0 HB VAL A 44 6.159 -4.429 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.785 -4.607 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.732 -2.919 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.174 -3.531 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.192 -6.275 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.660 -5.292 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.171 -5.807 0.855 1.00 0.00 H new ATOM 606 N SER A 45 6.648 -2.341 2.613 1.00 0.00 N ATOM 607 CA SER A 45 5.847 -1.439 3.422 1.00 0.00 C ATOM 608 C SER A 45 6.444 -0.031 3.385 1.00 0.00 C ATOM 609 O SER A 45 5.745 0.951 3.630 1.00 0.00 O ATOM 610 CB SER A 45 5.748 -1.935 4.866 1.00 0.00 C ATOM 611 OG SER A 45 5.919 -0.879 5.807 1.00 0.00 O ATOM 0 H SER A 45 6.931 -3.200 3.085 1.00 0.00 H new ATOM 0 HA SER A 45 4.840 -1.411 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.777 -2.405 5.022 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.505 -2.700 5.039 1.00 0.00 H new ATOM 0 HG SER A 45 5.223 -0.938 6.495 1.00 0.00 H new ATOM 617 N GLN A 46 7.732 0.022 3.076 1.00 0.00 N ATOM 618 CA GLN A 46 8.432 1.294 3.003 1.00 0.00 C ATOM 619 C GLN A 46 8.067 2.027 1.710 1.00 0.00 C ATOM 620 O GLN A 46 8.033 3.256 1.678 1.00 0.00 O ATOM 621 CB GLN A 46 9.944 1.094 3.112 1.00 0.00 C ATOM 622 CG GLN A 46 10.592 2.231 3.905 1.00 0.00 C ATOM 623 CD GLN A 46 12.113 2.216 3.743 1.00 0.00 C ATOM 624 OE1 GLN A 46 12.725 1.195 3.478 1.00 0.00 O ATOM 625 NE2 GLN A 46 12.687 3.403 3.915 1.00 0.00 N ATOM 0 H GLN A 46 8.309 -0.795 2.873 1.00 0.00 H new ATOM 0 HA GLN A 46 8.118 1.909 3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.154 0.141 3.598 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.381 1.046 2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.196 3.188 3.565 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.334 2.136 4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.116 4.219 4.135 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.699 3.498 3.826 1.00 0.00 H new ATOM 634 N SER A 47 7.805 1.241 0.676 1.00 0.00 N ATOM 635 CA SER A 47 7.445 1.800 -0.616 1.00 0.00 C ATOM 636 C SER A 47 5.995 2.288 -0.589 1.00 0.00 C ATOM 637 O SER A 47 5.667 3.305 -1.198 1.00 0.00 O ATOM 638 CB SER A 47 7.639 0.774 -1.734 1.00 0.00 C ATOM 639 OG SER A 47 8.806 -0.019 -1.533 1.00 0.00 O ATOM 0 H SER A 47 7.835 0.222 0.707 1.00 0.00 H new ATOM 0 HA SER A 47 8.103 2.645 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.764 0.126 -1.787 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.712 1.290 -2.691 1.00 0.00 H new ATOM 0 HG SER A 47 8.894 -0.663 -2.266 1.00 0.00 H new ATOM 645 N CYS A 48 5.166 1.539 0.123 1.00 0.00 N ATOM 646 CA CYS A 48 3.758 1.883 0.237 1.00 0.00 C ATOM 647 C CYS A 48 3.652 3.268 0.877 1.00 0.00 C ATOM 648 O CYS A 48 2.997 4.158 0.336 1.00 0.00 O ATOM 649 CB CYS A 48 2.981 0.828 1.027 1.00 0.00 C ATOM 650 SG CYS A 48 1.525 1.467 1.933 1.00 0.00 S ATOM 0 H CYS A 48 5.442 0.696 0.627 1.00 0.00 H new ATOM 0 HA CYS A 48 3.305 1.907 -0.754 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.651 0.050 0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.657 0.357 1.740 1.00 0.00 H new ATOM 655 N ALA A 49 4.307 3.409 2.021 1.00 0.00 N ATOM 656 CA ALA A 49 4.294 4.671 2.740 1.00 0.00 C ATOM 657 C ALA A 49 5.249 5.652 2.057 1.00 0.00 C ATOM 658 O ALA A 49 5.397 6.790 2.499 1.00 0.00 O ATOM 659 CB ALA A 49 4.659 4.427 4.206 1.00 0.00 C ATOM 0 H ALA A 49 4.850 2.670 2.467 1.00 0.00 H new ATOM 0 HA ALA A 49 3.298 5.113 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.649 5.374 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.934 3.747 4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.654 3.986 4.265 1.00 0.00 H new ATOM 665 N GLY A 50 5.873 5.175 0.990 1.00 0.00 N ATOM 666 CA GLY A 50 6.810 5.995 0.242 1.00 0.00 C ATOM 667 C GLY A 50 6.152 6.573 -1.013 1.00 0.00 C ATOM 668 O GLY A 50 6.279 7.764 -1.293 1.00 0.00 O ATOM 0 H GLY A 50 5.748 4.231 0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.173 6.806 0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.677 5.398 -0.040 1.00 0.00 H new ATOM 672 N MET A 51 5.464 5.701 -1.736 1.00 0.00 N ATOM 673 CA MET A 51 4.786 6.110 -2.954 1.00 0.00 C ATOM 674 C MET A 51 3.392 6.662 -2.648 1.00 0.00 C ATOM 675 O MET A 51 2.591 6.874 -3.556 1.00 0.00 O ATOM 676 CB MET A 51 4.664 4.911 -3.897 1.00 0.00 C ATOM 677 CG MET A 51 4.214 5.353 -5.291 1.00 0.00 C ATOM 678 SD MET A 51 5.570 5.210 -6.443 1.00 0.00 S ATOM 679 CE MET A 51 4.746 5.687 -7.953 1.00 0.00 C ATOM 0 H MET A 51 5.362 4.714 -1.502 1.00 0.00 H new ATOM 0 HA MET A 51 5.372 6.898 -3.426 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.624 4.399 -3.966 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.950 4.195 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.377 4.739 -5.624 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.861 6.384 -5.258 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.454 5.652 -8.781 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.923 5.000 -8.151 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.357 6.700 -7.851 1.00 0.00 H new ATOM 689 N ALA A 52 3.146 6.880 -1.364 1.00 0.00 N ATOM 690 CA ALA A 52 1.864 7.404 -0.926 1.00 0.00 C ATOM 691 C ALA A 52 1.921 8.932 -0.909 1.00 0.00 C ATOM 692 O ALA A 52 1.298 9.571 -0.062 1.00 0.00 O ATOM 693 CB ALA A 52 1.514 6.818 0.444 1.00 0.00 C ATOM 0 H ALA A 52 3.813 6.703 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 52 1.074 7.112 -1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.552 7.211 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.457 5.732 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.284 7.093 1.165 1.00 0.00 H new ATOM 699 N ASP A 53 2.674 9.475 -1.855 1.00 0.00 N ATOM 700 CA ASP A 53 2.821 10.917 -1.959 1.00 0.00 C ATOM 701 C ASP A 53 3.222 11.484 -0.596 1.00 0.00 C ATOM 702 O ASP A 53 3.329 10.745 0.381 1.00 0.00 O ATOM 703 CB ASP A 53 1.504 11.576 -2.376 1.00 0.00 C ATOM 704 CG ASP A 53 1.426 11.988 -3.848 1.00 0.00 C ATOM 705 OD1 ASP A 53 2.468 12.444 -4.366 1.00 0.00 O ATOM 706 OD2 ASP A 53 0.325 11.837 -4.421 1.00 0.00 O ATOM 0 H ASP A 53 3.189 8.942 -2.556 1.00 0.00 H new ATOM 0 HA ASP A 53 3.583 11.125 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.687 10.887 -2.163 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.345 12.460 -1.758 1.00 0.00 H new ATOM 711 N SER A 54 3.432 12.792 -0.574 1.00 0.00 N ATOM 712 CA SER A 54 3.820 13.467 0.653 1.00 0.00 C ATOM 713 C SER A 54 2.752 14.490 1.047 1.00 0.00 C ATOM 714 O SER A 54 2.029 14.293 2.023 1.00 0.00 O ATOM 715 CB SER A 54 5.179 14.152 0.500 1.00 0.00 C ATOM 716 OG SER A 54 6.192 13.506 1.266 1.00 0.00 O ATOM 0 H SER A 54 3.341 13.402 -1.386 1.00 0.00 H new ATOM 0 HA SER A 54 3.908 12.719 1.441 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.467 14.156 -0.551 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.097 15.193 0.812 1.00 0.00 H new ATOM 0 HG SER A 54 7.045 13.972 1.140 1.00 0.00 H new ATOM 722 N ASN A 55 2.686 15.559 0.268 1.00 0.00 N ATOM 723 CA ASN A 55 1.718 16.613 0.523 1.00 0.00 C ATOM 724 C ASN A 55 0.384 16.243 -0.128 1.00 0.00 C ATOM 725 O ASN A 55 -0.651 16.820 0.200 1.00 0.00 O ATOM 726 CB ASN A 55 2.182 17.943 -0.073 1.00 0.00 C ATOM 727 CG ASN A 55 1.884 19.104 0.878 1.00 0.00 C ATOM 728 OD1 ASN A 55 0.857 19.154 1.535 1.00 0.00 O ATOM 729 ND2 ASN A 55 2.836 20.032 0.915 1.00 0.00 N ATOM 0 H ASN A 55 3.287 15.719 -0.540 1.00 0.00 H new ATOM 0 HA ASN A 55 1.612 16.719 1.603 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.252 17.901 -0.277 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.682 18.112 -1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.731 20.847 1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.671 19.929 0.339 1.00 0.00 H new ATOM 736 N ASP A 56 0.453 15.283 -1.038 1.00 0.00 N ATOM 737 CA ASP A 56 -0.737 14.829 -1.738 1.00 0.00 C ATOM 738 C ASP A 56 -1.580 13.966 -0.796 1.00 0.00 C ATOM 739 O ASP A 56 -2.807 13.964 -0.881 1.00 0.00 O ATOM 740 CB ASP A 56 -0.369 13.979 -2.956 1.00 0.00 C ATOM 741 CG ASP A 56 -1.225 14.227 -4.199 1.00 0.00 C ATOM 742 OD1 ASP A 56 -1.060 15.314 -4.794 1.00 0.00 O ATOM 743 OD2 ASP A 56 -2.024 13.324 -4.528 1.00 0.00 O ATOM 0 H ASP A 56 1.314 14.807 -1.307 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.291 15.708 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.675 14.166 -3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.448 12.927 -2.683 1.00 0.00 H new ATOM 748 N CYS A 57 -0.887 13.253 0.080 1.00 0.00 N ATOM 749 CA CYS A 57 -1.556 12.388 1.037 1.00 0.00 C ATOM 750 C CYS A 57 -2.298 13.268 2.044 1.00 0.00 C ATOM 751 O CYS A 57 -1.844 14.364 2.369 1.00 0.00 O ATOM 752 CB CYS A 57 -0.573 11.438 1.725 1.00 0.00 C ATOM 753 SG CYS A 57 -1.114 9.691 1.794 1.00 0.00 S ATOM 0 H CYS A 57 0.131 13.257 0.147 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.271 11.751 0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.383 11.487 1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.400 11.791 2.742 1.00 0.00 H new ATOM 758 N PRO A 58 -3.459 12.743 2.521 1.00 0.00 N ATOM 759 CA PRO A 58 -4.269 13.469 3.484 1.00 0.00 C ATOM 760 C PRO A 58 -3.636 13.425 4.876 1.00 0.00 C ATOM 761 O PRO A 58 -4.258 12.962 5.831 1.00 0.00 O ATOM 762 CB PRO A 58 -5.634 12.804 3.431 1.00 0.00 C ATOM 763 CG PRO A 58 -5.411 11.444 2.789 1.00 0.00 C ATOM 764 CD PRO A 58 -4.028 11.449 2.157 1.00 0.00 C ATOM 0 HA PRO A 58 -4.349 14.531 3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -6.056 12.699 4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.337 13.400 2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.487 10.653 3.535 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.174 11.247 2.036 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -3.418 10.628 2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.087 11.332 1.075 1.00 0.00 H new ATOM 772 N ASN A 59 -2.406 13.914 4.948 1.00 0.00 N ATOM 773 CA ASN A 59 -1.683 13.936 6.208 1.00 0.00 C ATOM 774 C ASN A 59 -1.983 15.245 6.941 1.00 0.00 C ATOM 775 O ASN A 59 -2.427 16.215 6.329 1.00 0.00 O ATOM 776 CB ASN A 59 -0.172 13.860 5.976 1.00 0.00 C ATOM 777 CG ASN A 59 0.207 12.567 5.252 1.00 0.00 C ATOM 778 OD1 ASN A 59 -0.622 11.720 4.964 1.00 0.00 O ATOM 779 ND2 ASN A 59 1.504 12.463 4.973 1.00 0.00 N ATOM 0 H ASN A 59 -1.893 14.298 4.155 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.002 13.075 6.795 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.153 14.719 5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.349 13.912 6.932 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.857 11.637 4.490 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.145 13.209 5.242 1.00 0.00 H new ATOM 786 N ALA A 60 -1.730 15.230 8.241 1.00 0.00 N ATOM 787 CA ALA A 60 -1.968 16.404 9.064 1.00 0.00 C ATOM 788 C ALA A 60 -1.459 16.138 10.482 1.00 0.00 C ATOM 789 O ALA A 60 -0.802 15.129 10.731 1.00 0.00 O ATOM 790 CB ALA A 60 -3.456 16.754 9.034 1.00 0.00 C ATOM 0 H ALA A 60 -1.362 14.423 8.745 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.423 17.264 8.674 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.635 17.634 9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.760 16.962 8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.035 15.916 9.421 1.00 0.00 H new TER 796 ALA A 60