USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 638 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 30 CYS SG : rot -13:sc= -0.301 USER MOD Set 1.2: A 80 CYS SG : rot 112:sc= 0.137 USER MOD Single : A 9 ASN : amide:sc= -2.24! C(o=-2.2!,f=-2.3!) USER MOD Single : A 10 CYS SG : rot 23:sc= 0.742 USER MOD Single : A 12 THR OG1 : rot -150:sc= -0.98 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.008) USER MOD Single : A 19 GLN : amide:sc= -3.12! C(o=-3.1!,f=-5.5!) USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= -0.0193 (180deg=-0.761) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00205 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0497 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 118:sc= 0.135 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 7:sc= 0.163 USER MOD Single : A 53 LYS NZ :NH3+ -144:sc= 0.119 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-0.95) USER MOD Single : A 55 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 57 SER OG : rot 14:sc= 0.429 USER MOD Single : A 58 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.5!) USER MOD Single : A 62 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -87:sc= 0.909 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -33:sc= 0.511 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 84 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.12) USER MOD Single : A 86 GLN : amide:sc= -1.68 K(o=-1.7,f=-3.4!) USER MOD Single : A 87 SER OG : rot 90:sc= -1.22 USER MOD Single : A 90 GLN : amide:sc= -0.0565 K(o=-0.056,f=-1.7!) USER MOD Single : A 94 GLN : amide:sc=-0.00941 K(o=-0.0094,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 76 N ASN A 9 8.021 18.698 -0.906 1.00 0.00 N ATOM 77 CA ASN A 9 6.880 18.158 -0.176 1.00 0.00 C ATOM 78 C ASN A 9 7.341 17.233 0.947 1.00 0.00 C ATOM 79 O ASN A 9 8.517 16.875 1.026 1.00 0.00 O ATOM 80 CB ASN A 9 5.952 17.399 -1.127 1.00 0.00 C ATOM 81 CG ASN A 9 4.886 18.294 -1.730 1.00 0.00 C ATOM 82 OD1 ASN A 9 5.181 19.381 -2.227 1.00 0.00 O ATOM 83 ND2 ASN A 9 3.639 17.839 -1.689 1.00 0.00 N ATOM 0 HA ASN A 9 6.335 18.993 0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.542 16.952 -1.927 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.474 16.581 -0.588 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.880 18.397 -2.079 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.441 16.932 -1.267 1.00 0.00 H new ATOM 90 N CYS A 10 6.408 16.850 1.811 1.00 0.00 N ATOM 91 CA CYS A 10 6.719 15.967 2.930 1.00 0.00 C ATOM 92 C CYS A 10 5.457 15.289 3.453 1.00 0.00 C ATOM 93 O CYS A 10 4.344 15.762 3.224 1.00 0.00 O ATOM 94 CB CYS A 10 7.394 16.753 4.055 1.00 0.00 C ATOM 95 SG CYS A 10 9.160 17.041 3.798 1.00 0.00 S ATOM 0 H CYS A 10 5.430 17.137 1.759 1.00 0.00 H new ATOM 0 HA CYS A 10 7.403 15.197 2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 10 6.892 17.714 4.164 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.257 16.214 4.993 1.00 0.00 H new ATOM 0 HG CYS A 10 9.431 16.970 2.529 1.00 0.00 H new ATOM 101 N PHE A 11 5.638 14.176 4.156 1.00 0.00 N ATOM 102 CA PHE A 11 4.514 13.430 4.710 1.00 0.00 C ATOM 103 C PHE A 11 4.291 13.791 6.176 1.00 0.00 C ATOM 104 O PHE A 11 5.084 13.427 7.045 1.00 0.00 O ATOM 105 CB PHE A 11 4.757 11.925 4.575 1.00 0.00 C ATOM 106 CG PHE A 11 4.558 11.408 3.179 1.00 0.00 C ATOM 107 CD1 PHE A 11 5.549 11.561 2.222 1.00 0.00 C ATOM 108 CD2 PHE A 11 3.381 10.771 2.824 1.00 0.00 C ATOM 109 CE1 PHE A 11 5.369 11.086 0.936 1.00 0.00 C ATOM 110 CE2 PHE A 11 3.195 10.294 1.540 1.00 0.00 C ATOM 111 CZ PHE A 11 4.190 10.453 0.595 1.00 0.00 C ATOM 0 H PHE A 11 6.552 13.771 4.356 1.00 0.00 H new ATOM 0 HA PHE A 11 3.620 13.699 4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.774 11.699 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.085 11.395 5.249 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.472 12.057 2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.599 10.645 3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.149 11.210 0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.273 9.798 1.276 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.046 10.083 -0.409 1.00 0.00 H new ATOM 121 N THR A 12 3.205 14.510 6.443 1.00 0.00 N ATOM 122 CA THR A 12 2.878 14.922 7.802 1.00 0.00 C ATOM 123 C THR A 12 2.442 13.732 8.648 1.00 0.00 C ATOM 124 O THR A 12 2.684 13.694 9.854 1.00 0.00 O ATOM 125 CB THR A 12 1.760 15.982 7.813 1.00 0.00 C ATOM 126 OG1 THR A 12 0.602 15.480 7.137 1.00 0.00 O ATOM 127 CG2 THR A 12 2.226 17.267 7.145 1.00 0.00 C ATOM 0 H THR A 12 2.538 14.819 5.736 1.00 0.00 H new ATOM 0 HA THR A 12 3.784 15.354 8.228 1.00 0.00 H new ATOM 0 HB THR A 12 1.508 16.201 8.851 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.113 16.225 6.729 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.420 18.000 7.165 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.090 17.663 7.680 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.503 17.060 6.111 1.00 0.00 H new ATOM 135 N GLU A 13 1.798 12.760 8.008 1.00 0.00 N ATOM 136 CA GLU A 13 1.329 11.568 8.704 1.00 0.00 C ATOM 137 C GLU A 13 1.705 10.305 7.934 1.00 0.00 C ATOM 138 O GLU A 13 1.033 9.929 6.974 1.00 0.00 O ATOM 139 CB GLU A 13 -0.188 11.628 8.898 1.00 0.00 C ATOM 140 CG GLU A 13 -0.609 12.287 10.200 1.00 0.00 C ATOM 141 CD GLU A 13 -2.006 11.887 10.632 1.00 0.00 C ATOM 142 OE1 GLU A 13 -2.152 10.805 11.239 1.00 0.00 O ATOM 143 OE2 GLU A 13 -2.954 12.654 10.363 1.00 0.00 O ATOM 0 H GLU A 13 1.590 12.775 7.010 1.00 0.00 H new ATOM 0 HA GLU A 13 1.812 11.534 9.681 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.631 12.173 8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.590 10.615 8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.100 12.020 10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.564 13.370 10.086 1.00 0.00 H new ATOM 150 N GLU A 14 2.783 9.657 8.363 1.00 0.00 N ATOM 151 CA GLU A 14 3.250 8.438 7.713 1.00 0.00 C ATOM 152 C GLU A 14 2.191 7.341 7.789 1.00 0.00 C ATOM 153 O GLU A 14 1.368 7.320 8.706 1.00 0.00 O ATOM 154 CB GLU A 14 4.549 7.953 8.360 1.00 0.00 C ATOM 155 CG GLU A 14 5.732 8.873 8.112 1.00 0.00 C ATOM 156 CD GLU A 14 6.746 8.836 9.239 1.00 0.00 C ATOM 157 OE1 GLU A 14 7.155 7.724 9.633 1.00 0.00 O ATOM 158 OE2 GLU A 14 7.131 9.919 9.726 1.00 0.00 O ATOM 0 H GLU A 14 3.349 9.955 9.157 1.00 0.00 H new ATOM 0 HA GLU A 14 3.438 8.666 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.395 7.854 9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.786 6.959 7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.220 8.588 7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.373 9.894 7.985 1.00 0.00 H new ATOM 165 N LEU A 15 2.217 6.433 6.820 1.00 0.00 N ATOM 166 CA LEU A 15 1.260 5.333 6.776 1.00 0.00 C ATOM 167 C LEU A 15 1.278 4.542 8.080 1.00 0.00 C ATOM 168 O LEU A 15 2.057 4.838 8.987 1.00 0.00 O ATOM 169 CB LEU A 15 1.571 4.407 5.599 1.00 0.00 C ATOM 170 CG LEU A 15 1.229 4.947 4.210 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.145 4.338 3.160 1.00 0.00 C ATOM 172 CD2 LEU A 15 -0.229 4.669 3.875 1.00 0.00 C ATOM 0 H LEU A 15 2.890 6.437 6.054 1.00 0.00 H new ATOM 0 HA LEU A 15 0.264 5.756 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.634 4.168 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.031 3.472 5.746 1.00 0.00 H new ATOM 0 HG LEU A 15 1.381 6.026 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.887 4.734 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.180 4.588 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.025 3.255 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.455 5.060 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.407 3.594 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.870 5.154 4.611 1.00 0.00 H new ATOM 184 N THR A 16 0.417 3.533 8.166 1.00 0.00 N ATOM 185 CA THR A 16 0.335 2.699 9.358 1.00 0.00 C ATOM 186 C THR A 16 0.018 1.252 8.996 1.00 0.00 C ATOM 187 O THR A 16 -1.031 0.962 8.423 1.00 0.00 O ATOM 188 CB THR A 16 -0.737 3.218 10.335 1.00 0.00 C ATOM 189 OG1 THR A 16 -0.747 2.416 11.522 1.00 0.00 O ATOM 190 CG2 THR A 16 -2.114 3.195 9.689 1.00 0.00 C ATOM 0 H THR A 16 -0.233 3.274 7.424 1.00 0.00 H new ATOM 0 HA THR A 16 1.310 2.745 9.843 1.00 0.00 H new ATOM 0 HB THR A 16 -0.493 4.248 10.595 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.430 2.753 12.139 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.855 3.566 10.398 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.111 3.829 8.803 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.365 2.173 9.403 1.00 0.00 H new ATOM 198 N ASN A 17 0.932 0.348 9.334 1.00 0.00 N ATOM 199 CA ASN A 17 0.749 -1.069 9.044 1.00 0.00 C ATOM 200 C ASN A 17 -0.703 -1.485 9.257 1.00 0.00 C ATOM 201 O ASN A 17 -1.266 -1.283 10.334 1.00 0.00 O ATOM 202 CB ASN A 17 1.669 -1.915 9.927 1.00 0.00 C ATOM 203 CG ASN A 17 1.943 -1.262 11.268 1.00 0.00 C ATOM 204 OD1 ASN A 17 1.074 -1.220 12.140 1.00 0.00 O ATOM 205 ND2 ASN A 17 3.155 -0.748 11.439 1.00 0.00 N ATOM 0 H ASN A 17 1.807 0.572 9.809 1.00 0.00 H new ATOM 0 HA ASN A 17 1.006 -1.236 7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.215 -2.893 10.088 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.613 -2.083 9.408 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.397 -0.296 12.320 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.844 -0.806 10.689 1.00 0.00 H new ATOM 212 N LEU A 18 -1.304 -2.067 8.225 1.00 0.00 N ATOM 213 CA LEU A 18 -2.691 -2.513 8.298 1.00 0.00 C ATOM 214 C LEU A 18 -2.767 -4.022 8.504 1.00 0.00 C ATOM 215 O LEU A 18 -1.930 -4.769 7.999 1.00 0.00 O ATOM 216 CB LEU A 18 -3.441 -2.121 7.024 1.00 0.00 C ATOM 217 CG LEU A 18 -3.538 -0.622 6.736 1.00 0.00 C ATOM 218 CD1 LEU A 18 -4.128 -0.381 5.355 1.00 0.00 C ATOM 219 CD2 LEU A 18 -4.371 0.073 7.803 1.00 0.00 C ATOM 0 H LEU A 18 -0.852 -2.241 7.327 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.160 -2.025 9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.953 -2.603 6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.451 -2.526 7.082 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.533 -0.201 6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.189 0.691 5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.492 -0.845 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.126 -0.816 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.429 1.139 7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.375 -0.351 7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.906 -0.070 8.778 1.00 0.00 H new ATOM 231 N GLN A 19 -3.778 -4.462 9.246 1.00 0.00 N ATOM 232 CA GLN A 19 -3.965 -5.883 9.516 1.00 0.00 C ATOM 233 C GLN A 19 -5.397 -6.311 9.216 1.00 0.00 C ATOM 234 O GLN A 19 -6.338 -5.873 9.878 1.00 0.00 O ATOM 235 CB GLN A 19 -3.621 -6.196 10.974 1.00 0.00 C ATOM 236 CG GLN A 19 -3.857 -7.648 11.356 1.00 0.00 C ATOM 237 CD GLN A 19 -5.317 -7.948 11.636 1.00 0.00 C ATOM 238 OE1 GLN A 19 -6.029 -8.476 10.782 1.00 0.00 O ATOM 239 NE2 GLN A 19 -5.770 -7.611 12.838 1.00 0.00 N ATOM 0 H GLN A 19 -4.480 -3.856 9.671 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.295 -6.442 8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.575 -5.947 11.153 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.217 -5.556 11.625 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.505 -8.293 10.551 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.265 -7.888 12.239 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.144 -7.175 13.515 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.744 -7.788 13.084 1.00 0.00 H new ATOM 248 N VAL A 20 -5.556 -7.169 8.214 1.00 0.00 N ATOM 249 CA VAL A 20 -6.874 -7.657 7.826 1.00 0.00 C ATOM 250 C VAL A 20 -6.792 -9.069 7.257 1.00 0.00 C ATOM 251 O VAL A 20 -5.734 -9.505 6.805 1.00 0.00 O ATOM 252 CB VAL A 20 -7.531 -6.732 6.784 1.00 0.00 C ATOM 253 CG1 VAL A 20 -8.965 -7.162 6.517 1.00 0.00 C ATOM 254 CG2 VAL A 20 -7.477 -5.284 7.248 1.00 0.00 C ATOM 0 H VAL A 20 -4.788 -7.541 7.656 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.486 -7.667 8.728 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.974 -6.811 5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.413 -6.497 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.974 -8.184 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.538 -7.114 7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.946 -4.644 6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.009 -5.185 8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.438 -4.984 7.383 1.00 0.00 H new ATOM 264 N GLU A 21 -7.917 -9.777 7.281 1.00 0.00 N ATOM 265 CA GLU A 21 -7.971 -11.141 6.767 1.00 0.00 C ATOM 266 C GLU A 21 -8.166 -11.144 5.254 1.00 0.00 C ATOM 267 O GLU A 21 -8.894 -10.314 4.710 1.00 0.00 O ATOM 268 CB GLU A 21 -9.105 -11.918 7.440 1.00 0.00 C ATOM 269 CG GLU A 21 -10.469 -11.269 7.277 1.00 0.00 C ATOM 270 CD GLU A 21 -11.557 -11.997 8.041 1.00 0.00 C ATOM 271 OE1 GLU A 21 -11.524 -13.246 8.073 1.00 0.00 O ATOM 272 OE2 GLU A 21 -12.440 -11.320 8.607 1.00 0.00 O ATOM 0 H GLU A 21 -8.802 -9.429 7.650 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.022 -11.626 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.140 -12.925 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.884 -12.018 8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.419 -10.236 7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.730 -11.241 6.219 1.00 0.00 H new ATOM 279 N GLU A 22 -7.509 -12.084 4.581 1.00 0.00 N ATOM 280 CA GLU A 22 -7.609 -12.194 3.130 1.00 0.00 C ATOM 281 C GLU A 22 -9.049 -11.994 2.667 1.00 0.00 C ATOM 282 O GLU A 22 -9.990 -12.139 3.448 1.00 0.00 O ATOM 283 CB GLU A 22 -7.096 -13.558 2.664 1.00 0.00 C ATOM 284 CG GLU A 22 -8.062 -14.698 2.940 1.00 0.00 C ATOM 285 CD GLU A 22 -7.635 -15.996 2.282 1.00 0.00 C ATOM 286 OE1 GLU A 22 -7.231 -15.959 1.101 1.00 0.00 O ATOM 287 OE2 GLU A 22 -7.706 -17.050 2.949 1.00 0.00 O ATOM 0 H GLU A 22 -6.903 -12.779 5.017 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.992 -11.411 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.895 -13.515 1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.148 -13.769 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.141 -14.850 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.054 -14.423 2.583 1.00 0.00 H new ATOM 294 N LYS A 23 -9.213 -11.661 1.391 1.00 0.00 N ATOM 295 CA LYS A 23 -10.538 -11.442 0.822 1.00 0.00 C ATOM 296 C LYS A 23 -11.248 -10.289 1.524 1.00 0.00 C ATOM 297 O LYS A 23 -12.475 -10.261 1.606 1.00 0.00 O ATOM 298 CB LYS A 23 -11.379 -12.715 0.930 1.00 0.00 C ATOM 299 CG LYS A 23 -10.942 -13.816 -0.021 1.00 0.00 C ATOM 300 CD LYS A 23 -11.341 -13.505 -1.454 1.00 0.00 C ATOM 301 CE LYS A 23 -12.721 -14.055 -1.781 1.00 0.00 C ATOM 302 NZ LYS A 23 -13.796 -13.067 -1.489 1.00 0.00 N ATOM 0 H LYS A 23 -8.445 -11.537 0.731 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.416 -11.183 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.328 -13.088 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.422 -12.469 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.861 -13.941 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.389 -14.762 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.332 -12.426 -1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.607 -13.931 -2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.760 -14.334 -2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.896 -14.963 -1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.619 -13.261 -2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.075 -13.143 -0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.445 -12.106 -1.678 1.00 0.00 H new ATOM 316 N GLY A 24 -10.467 -9.338 2.028 1.00 0.00 N ATOM 317 CA GLY A 24 -11.040 -8.195 2.716 1.00 0.00 C ATOM 318 C GLY A 24 -10.812 -6.896 1.970 1.00 0.00 C ATOM 319 O GLY A 24 -10.821 -6.867 0.739 1.00 0.00 O ATOM 0 H GLY A 24 -9.449 -9.338 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.111 -8.353 2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.605 -8.119 3.713 1.00 0.00 H new ATOM 323 N THR A 25 -10.608 -5.814 2.717 1.00 0.00 N ATOM 324 CA THR A 25 -10.379 -4.505 2.119 1.00 0.00 C ATOM 325 C THR A 25 -9.347 -3.711 2.913 1.00 0.00 C ATOM 326 O THR A 25 -9.562 -3.391 4.082 1.00 0.00 O ATOM 327 CB THR A 25 -11.683 -3.690 2.035 1.00 0.00 C ATOM 328 OG1 THR A 25 -12.758 -4.529 1.599 1.00 0.00 O ATOM 329 CG2 THR A 25 -11.528 -2.517 1.079 1.00 0.00 C ATOM 0 H THR A 25 -10.597 -5.820 3.737 1.00 0.00 H new ATOM 0 HA THR A 25 -10.003 -4.679 1.111 1.00 0.00 H new ATOM 0 HB THR A 25 -11.907 -3.301 3.028 1.00 0.00 H new ATOM 0 HG1 THR A 25 -13.584 -4.004 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.462 -1.956 1.036 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.729 -1.864 1.430 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.282 -2.888 0.084 1.00 0.00 H new ATOM 337 N ALA A 26 -8.228 -3.396 2.270 1.00 0.00 N ATOM 338 CA ALA A 26 -7.164 -2.637 2.915 1.00 0.00 C ATOM 339 C ALA A 26 -6.914 -1.318 2.192 1.00 0.00 C ATOM 340 O ALA A 26 -6.611 -1.300 0.999 1.00 0.00 O ATOM 341 CB ALA A 26 -5.886 -3.461 2.970 1.00 0.00 C ATOM 0 H ALA A 26 -8.035 -3.655 1.303 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.481 -2.409 3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.100 -2.881 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.066 -4.374 3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.575 -3.719 1.957 1.00 0.00 H new ATOM 347 N VAL A 27 -7.044 -0.214 2.922 1.00 0.00 N ATOM 348 CA VAL A 27 -6.832 1.110 2.349 1.00 0.00 C ATOM 349 C VAL A 27 -5.734 1.861 3.095 1.00 0.00 C ATOM 350 O VAL A 27 -5.920 2.282 4.237 1.00 0.00 O ATOM 351 CB VAL A 27 -8.124 1.948 2.380 1.00 0.00 C ATOM 352 CG1 VAL A 27 -8.879 1.718 3.680 1.00 0.00 C ATOM 353 CG2 VAL A 27 -7.805 3.424 2.192 1.00 0.00 C ATOM 0 H VAL A 27 -7.295 -0.211 3.911 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.528 0.962 1.313 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.763 1.630 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.789 2.318 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.140 0.663 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.250 2.007 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.729 4.002 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.146 3.759 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.311 3.570 1.231 1.00 0.00 H new ATOM 363 N PHE A 28 -4.589 2.027 2.440 1.00 0.00 N ATOM 364 CA PHE A 28 -3.460 2.728 3.041 1.00 0.00 C ATOM 365 C PHE A 28 -3.711 4.233 3.077 1.00 0.00 C ATOM 366 O PHE A 28 -3.630 4.913 2.053 1.00 0.00 O ATOM 367 CB PHE A 28 -2.177 2.432 2.263 1.00 0.00 C ATOM 368 CG PHE A 28 -1.475 1.184 2.716 1.00 0.00 C ATOM 369 CD1 PHE A 28 -1.151 1.001 4.051 1.00 0.00 C ATOM 370 CD2 PHE A 28 -1.140 0.192 1.808 1.00 0.00 C ATOM 371 CE1 PHE A 28 -0.505 -0.146 4.472 1.00 0.00 C ATOM 372 CE2 PHE A 28 -0.495 -0.957 2.223 1.00 0.00 C ATOM 373 CZ PHE A 28 -0.176 -1.126 3.557 1.00 0.00 C ATOM 0 H PHE A 28 -4.419 1.686 1.494 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.346 2.372 4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.417 2.340 1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.497 3.278 2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.406 1.764 4.771 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.386 0.319 0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.258 -0.275 5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.240 -1.723 1.505 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.330 -2.023 3.883 1.00 0.00 H new ATOM 383 N THR A 29 -4.017 4.748 4.264 1.00 0.00 N ATOM 384 CA THR A 29 -4.281 6.171 4.434 1.00 0.00 C ATOM 385 C THR A 29 -3.015 6.921 4.831 1.00 0.00 C ATOM 386 O THR A 29 -2.314 6.526 5.763 1.00 0.00 O ATOM 387 CB THR A 29 -5.365 6.417 5.501 1.00 0.00 C ATOM 388 OG1 THR A 29 -5.324 5.382 6.490 1.00 0.00 O ATOM 389 CG2 THR A 29 -6.747 6.464 4.867 1.00 0.00 C ATOM 0 H THR A 29 -4.088 4.200 5.122 1.00 0.00 H new ATOM 0 HA THR A 29 -4.635 6.544 3.473 1.00 0.00 H new ATOM 0 HB THR A 29 -5.166 7.379 5.974 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.015 5.547 7.165 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.496 6.639 5.639 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.785 7.272 4.136 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.952 5.515 4.371 1.00 0.00 H new ATOM 397 N CYS A 30 -2.729 8.005 4.119 1.00 0.00 N ATOM 398 CA CYS A 30 -1.546 8.812 4.397 1.00 0.00 C ATOM 399 C CYS A 30 -1.866 10.300 4.295 1.00 0.00 C ATOM 400 O CYS A 30 -2.973 10.684 3.915 1.00 0.00 O ATOM 401 CB CYS A 30 -0.419 8.454 3.427 1.00 0.00 C ATOM 402 SG CYS A 30 -0.889 8.543 1.683 1.00 0.00 S ATOM 0 H CYS A 30 -3.300 8.346 3.345 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.222 8.597 5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.422 9.126 3.600 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.071 7.445 3.647 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.183 8.626 1.586 1.00 0.00 H new ATOM 408 N LYS A 31 -0.891 11.135 4.639 1.00 0.00 N ATOM 409 CA LYS A 31 -1.068 12.581 4.588 1.00 0.00 C ATOM 410 C LYS A 31 0.192 13.265 4.067 1.00 0.00 C ATOM 411 O LYS A 31 1.271 12.671 4.047 1.00 0.00 O ATOM 412 CB LYS A 31 -1.418 13.122 5.976 1.00 0.00 C ATOM 413 CG LYS A 31 -2.309 14.352 5.942 1.00 0.00 C ATOM 414 CD LYS A 31 -2.492 14.946 7.329 1.00 0.00 C ATOM 415 CE LYS A 31 -3.229 16.276 7.272 1.00 0.00 C ATOM 416 NZ LYS A 31 -3.229 16.966 8.592 1.00 0.00 N ATOM 0 H LYS A 31 0.031 10.834 4.956 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.888 12.798 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.916 12.339 6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.497 13.366 6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.873 15.100 5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.282 14.087 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.047 14.247 7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.518 15.088 7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.762 16.919 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.257 16.108 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.740 17.868 8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.697 16.364 9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.249 17.149 8.888 1.00 0.00 H new ATOM 430 N THR A 32 0.049 14.518 3.647 1.00 0.00 N ATOM 431 CA THR A 32 1.176 15.283 3.126 1.00 0.00 C ATOM 432 C THR A 32 1.090 16.745 3.549 1.00 0.00 C ATOM 433 O THR A 32 0.024 17.228 3.929 1.00 0.00 O ATOM 434 CB THR A 32 1.243 15.207 1.589 1.00 0.00 C ATOM 435 OG1 THR A 32 -0.018 15.584 1.024 1.00 0.00 O ATOM 436 CG2 THR A 32 1.610 13.804 1.132 1.00 0.00 C ATOM 0 H THR A 32 -0.836 15.025 3.657 1.00 0.00 H new ATOM 0 HA THR A 32 2.080 14.840 3.544 1.00 0.00 H new ATOM 0 HB THR A 32 2.015 15.897 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.098 16.382 0.467 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.651 13.775 0.043 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.584 13.532 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.859 13.098 1.486 1.00 0.00 H new ATOM 444 N GLU A 33 2.218 17.444 3.479 1.00 0.00 N ATOM 445 CA GLU A 33 2.269 18.852 3.855 1.00 0.00 C ATOM 446 C GLU A 33 1.700 19.732 2.745 1.00 0.00 C ATOM 447 O GLU A 33 0.959 20.679 3.008 1.00 0.00 O ATOM 448 CB GLU A 33 3.708 19.268 4.164 1.00 0.00 C ATOM 449 CG GLU A 33 3.867 20.756 4.432 1.00 0.00 C ATOM 450 CD GLU A 33 3.451 21.143 5.838 1.00 0.00 C ATOM 451 OE1 GLU A 33 4.312 21.116 6.741 1.00 0.00 O ATOM 452 OE2 GLU A 33 2.263 21.474 6.034 1.00 0.00 O ATOM 0 H GLU A 33 3.109 17.059 3.165 1.00 0.00 H new ATOM 0 HA GLU A 33 1.660 18.986 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.060 18.711 5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.346 18.988 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.907 21.041 4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.270 21.317 3.713 1.00 0.00 H new ATOM 459 N HIS A 34 2.054 19.412 1.504 1.00 0.00 N ATOM 460 CA HIS A 34 1.579 20.173 0.354 1.00 0.00 C ATOM 461 C HIS A 34 0.749 19.292 -0.575 1.00 0.00 C ATOM 462 O HIS A 34 0.941 18.079 -0.656 1.00 0.00 O ATOM 463 CB HIS A 34 2.760 20.770 -0.411 1.00 0.00 C ATOM 464 CG HIS A 34 3.507 21.815 0.359 1.00 0.00 C ATOM 465 ND1 HIS A 34 3.086 23.125 0.453 1.00 0.00 N ATOM 466 CD2 HIS A 34 4.652 21.737 1.077 1.00 0.00 C ATOM 467 CE1 HIS A 34 3.942 23.808 1.193 1.00 0.00 C ATOM 468 NE2 HIS A 34 4.901 22.988 1.584 1.00 0.00 N ATOM 0 H HIS A 34 2.668 18.632 1.269 1.00 0.00 H new ATOM 0 HA HIS A 34 0.946 20.982 0.720 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.448 19.969 -0.682 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.396 21.207 -1.341 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.257 20.855 1.224 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.870 24.858 1.437 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.697 23.243 2.168 1.00 0.00 H new ATOM 477 N PRO A 35 -0.198 19.915 -1.292 1.00 0.00 N ATOM 478 CA PRO A 35 -1.077 19.207 -2.228 1.00 0.00 C ATOM 479 C PRO A 35 -0.330 18.710 -3.461 1.00 0.00 C ATOM 480 O PRO A 35 -0.134 19.455 -4.422 1.00 0.00 O ATOM 481 CB PRO A 35 -2.108 20.269 -2.619 1.00 0.00 C ATOM 482 CG PRO A 35 -1.410 21.569 -2.411 1.00 0.00 C ATOM 483 CD PRO A 35 -0.482 21.359 -1.246 1.00 0.00 C ATOM 0 HA PRO A 35 -1.514 18.314 -1.781 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.424 20.151 -3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.004 20.197 -2.002 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.856 21.862 -3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.124 22.366 -2.203 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.428 21.951 -1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.948 21.647 -0.304 1.00 0.00 H new ATOM 491 N ALA A 36 0.084 17.448 -3.428 1.00 0.00 N ATOM 492 CA ALA A 36 0.807 16.852 -4.544 1.00 0.00 C ATOM 493 C ALA A 36 -0.021 16.902 -5.824 1.00 0.00 C ATOM 494 O ALA A 36 -1.228 17.135 -5.784 1.00 0.00 O ATOM 495 CB ALA A 36 1.191 15.416 -4.218 1.00 0.00 C ATOM 0 H ALA A 36 -0.069 16.818 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 36 1.716 17.432 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.730 14.983 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.828 15.402 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.290 14.833 -4.026 1.00 0.00 H new ATOM 501 N ALA A 37 0.637 16.682 -6.958 1.00 0.00 N ATOM 502 CA ALA A 37 -0.039 16.701 -8.249 1.00 0.00 C ATOM 503 C ALA A 37 -0.244 15.287 -8.782 1.00 0.00 C ATOM 504 O ALA A 37 -1.195 15.021 -9.519 1.00 0.00 O ATOM 505 CB ALA A 37 0.752 17.534 -9.246 1.00 0.00 C ATOM 0 H ALA A 37 1.637 16.489 -7.008 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.020 17.155 -8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.236 17.540 -10.206 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.842 18.555 -8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.746 17.105 -9.371 1.00 0.00 H new ATOM 511 N THR A 38 0.654 14.382 -8.407 1.00 0.00 N ATOM 512 CA THR A 38 0.573 12.996 -8.849 1.00 0.00 C ATOM 513 C THR A 38 1.098 12.046 -7.778 1.00 0.00 C ATOM 514 O THR A 38 1.997 12.392 -7.013 1.00 0.00 O ATOM 515 CB THR A 38 1.367 12.773 -10.150 1.00 0.00 C ATOM 516 OG1 THR A 38 1.087 11.473 -10.679 1.00 0.00 O ATOM 517 CG2 THR A 38 2.862 12.914 -9.903 1.00 0.00 C ATOM 0 H THR A 38 1.447 14.584 -7.798 1.00 0.00 H new ATOM 0 HA THR A 38 -0.480 12.785 -9.034 1.00 0.00 H new ATOM 0 HB THR A 38 1.060 13.531 -10.870 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.595 11.340 -11.507 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.402 12.752 -10.836 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.076 13.915 -9.529 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.180 12.176 -9.167 1.00 0.00 H new ATOM 525 N VAL A 39 0.531 10.844 -7.730 1.00 0.00 N ATOM 526 CA VAL A 39 0.943 9.843 -6.754 1.00 0.00 C ATOM 527 C VAL A 39 1.129 8.480 -7.410 1.00 0.00 C ATOM 528 O VAL A 39 0.242 7.986 -8.107 1.00 0.00 O ATOM 529 CB VAL A 39 -0.084 9.715 -5.613 1.00 0.00 C ATOM 530 CG1 VAL A 39 0.159 8.442 -4.816 1.00 0.00 C ATOM 531 CG2 VAL A 39 -0.032 10.938 -4.710 1.00 0.00 C ATOM 0 H VAL A 39 -0.215 10.541 -8.356 1.00 0.00 H new ATOM 0 HA VAL A 39 1.895 10.177 -6.341 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.081 9.657 -6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.576 8.369 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.066 7.578 -5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.161 8.466 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.764 10.831 -3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.965 11.030 -4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.260 11.830 -5.293 1.00 0.00 H new ATOM 541 N THR A 40 2.291 7.873 -7.184 1.00 0.00 N ATOM 542 CA THR A 40 2.595 6.567 -7.753 1.00 0.00 C ATOM 543 C THR A 40 2.864 5.539 -6.660 1.00 0.00 C ATOM 544 O THR A 40 3.964 5.477 -6.111 1.00 0.00 O ATOM 545 CB THR A 40 3.815 6.633 -8.691 1.00 0.00 C ATOM 546 OG1 THR A 40 3.589 7.601 -9.722 1.00 0.00 O ATOM 547 CG2 THR A 40 4.092 5.274 -9.316 1.00 0.00 C ATOM 0 H THR A 40 3.037 8.267 -6.610 1.00 0.00 H new ATOM 0 HA THR A 40 1.720 6.262 -8.327 1.00 0.00 H new ATOM 0 HB THR A 40 4.683 6.927 -8.101 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.370 7.638 -10.313 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.958 5.346 -9.974 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.293 4.546 -8.530 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.224 4.955 -9.892 1.00 0.00 H new ATOM 555 N TRP A 41 1.854 4.736 -6.348 1.00 0.00 N ATOM 556 CA TRP A 41 1.983 3.710 -5.320 1.00 0.00 C ATOM 557 C TRP A 41 2.817 2.537 -5.822 1.00 0.00 C ATOM 558 O TRP A 41 2.785 2.203 -7.007 1.00 0.00 O ATOM 559 CB TRP A 41 0.601 3.219 -4.884 1.00 0.00 C ATOM 560 CG TRP A 41 -0.267 4.306 -4.326 1.00 0.00 C ATOM 561 CD1 TRP A 41 -0.935 5.265 -5.032 1.00 0.00 C ATOM 562 CD2 TRP A 41 -0.558 4.546 -2.945 1.00 0.00 C ATOM 563 NE1 TRP A 41 -1.624 6.087 -4.173 1.00 0.00 N ATOM 564 CE2 TRP A 41 -1.410 5.666 -2.887 1.00 0.00 C ATOM 565 CE3 TRP A 41 -0.183 3.922 -1.752 1.00 0.00 C ATOM 566 CZ2 TRP A 41 -1.890 6.174 -1.683 1.00 0.00 C ATOM 567 CZ3 TRP A 41 -0.661 4.428 -0.557 1.00 0.00 C ATOM 568 CH2 TRP A 41 -1.508 5.544 -0.530 1.00 0.00 C ATOM 0 H TRP A 41 0.937 4.775 -6.792 1.00 0.00 H new ATOM 0 HA TRP A 41 2.491 4.152 -4.463 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.098 2.765 -5.738 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.721 2.438 -4.133 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.924 5.363 -6.107 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.201 6.882 -4.448 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.468 3.060 -1.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.541 7.035 -1.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.377 3.955 0.371 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.866 5.914 0.419 1.00 0.00 H new ATOM 579 N ARG A 42 3.563 1.915 -4.915 1.00 0.00 N ATOM 580 CA ARG A 42 4.407 0.780 -5.268 1.00 0.00 C ATOM 581 C ARG A 42 4.181 -0.384 -4.308 1.00 0.00 C ATOM 582 O ARG A 42 4.216 -0.214 -3.089 1.00 0.00 O ATOM 583 CB ARG A 42 5.881 1.189 -5.253 1.00 0.00 C ATOM 584 CG ARG A 42 6.834 0.046 -5.562 1.00 0.00 C ATOM 585 CD ARG A 42 8.286 0.485 -5.453 1.00 0.00 C ATOM 586 NE ARG A 42 8.697 1.301 -6.593 1.00 0.00 N ATOM 587 CZ ARG A 42 8.505 2.613 -6.664 1.00 0.00 C ATOM 588 NH1 ARG A 42 7.911 3.255 -5.668 1.00 0.00 N ATOM 589 NH2 ARG A 42 8.908 3.287 -7.734 1.00 0.00 N ATOM 0 H ARG A 42 3.600 2.178 -3.930 1.00 0.00 H new ATOM 0 HA ARG A 42 4.137 0.457 -6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.035 1.986 -5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.125 1.600 -4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.650 -0.779 -4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.641 -0.328 -6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.426 1.052 -4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.927 -0.394 -5.386 1.00 0.00 H new ATOM 0 HE ARG A 42 9.156 0.838 -7.377 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.600 2.741 -4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.765 4.263 -5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.366 2.797 -8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.760 4.295 -7.788 1.00 0.00 H new ATOM 603 N LYS A 43 3.950 -1.568 -4.865 1.00 0.00 N ATOM 604 CA LYS A 43 3.719 -2.761 -4.061 1.00 0.00 C ATOM 605 C LYS A 43 4.710 -3.863 -4.423 1.00 0.00 C ATOM 606 O LYS A 43 4.840 -4.234 -5.589 1.00 0.00 O ATOM 607 CB LYS A 43 2.287 -3.265 -4.257 1.00 0.00 C ATOM 608 CG LYS A 43 1.993 -4.563 -3.526 1.00 0.00 C ATOM 609 CD LYS A 43 0.870 -5.337 -4.194 1.00 0.00 C ATOM 610 CE LYS A 43 1.000 -6.833 -3.949 1.00 0.00 C ATOM 611 NZ LYS A 43 1.922 -7.476 -4.926 1.00 0.00 N ATOM 0 H LYS A 43 3.918 -1.726 -5.872 1.00 0.00 H new ATOM 0 HA LYS A 43 3.864 -2.495 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.591 -2.499 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.104 -3.408 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.893 -5.177 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.722 -4.346 -2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.090 -4.987 -3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.879 -5.141 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.366 -7.005 -2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.017 -7.299 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.984 -8.495 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.560 -7.334 -5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.867 -7.049 -4.845 1.00 0.00 H new ATOM 670 N GLU A 47 5.404 -1.213 -9.552 1.00 0.00 N ATOM 671 CA GLU A 47 4.612 0.001 -9.716 1.00 0.00 C ATOM 672 C GLU A 47 3.127 -0.330 -9.834 1.00 0.00 C ATOM 673 O GLU A 47 2.738 -1.237 -10.572 1.00 0.00 O ATOM 674 CB GLU A 47 5.073 0.774 -10.954 1.00 0.00 C ATOM 675 CG GLU A 47 4.251 2.020 -11.235 1.00 0.00 C ATOM 676 CD GLU A 47 5.014 3.053 -12.041 1.00 0.00 C ATOM 677 OE1 GLU A 47 5.911 3.707 -11.471 1.00 0.00 O ATOM 678 OE2 GLU A 47 4.712 3.207 -13.243 1.00 0.00 O ATOM 0 HA GLU A 47 4.759 0.622 -8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.117 1.059 -10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.027 0.115 -11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.346 1.740 -11.774 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.935 2.463 -10.290 1.00 0.00 H new ATOM 685 N LEU A 48 2.303 0.410 -9.102 1.00 0.00 N ATOM 686 CA LEU A 48 0.860 0.196 -9.123 1.00 0.00 C ATOM 687 C LEU A 48 0.162 1.270 -9.951 1.00 0.00 C ATOM 688 O LEU A 48 0.797 2.212 -10.426 1.00 0.00 O ATOM 689 CB LEU A 48 0.304 0.194 -7.697 1.00 0.00 C ATOM 690 CG LEU A 48 1.027 -0.708 -6.696 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.623 -0.358 -5.273 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.736 -2.172 -6.991 1.00 0.00 C ATOM 0 H LEU A 48 2.609 1.164 -8.486 1.00 0.00 H new ATOM 0 HA LEU A 48 0.668 -0.773 -9.583 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.327 1.216 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.743 -0.107 -7.737 1.00 0.00 H new ATOM 0 HG LEU A 48 2.100 -0.544 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.148 -1.010 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.884 0.680 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.452 -0.492 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.259 -2.799 -6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.337 -2.352 -6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.077 -2.415 -7.997 1.00 0.00 H new ATOM 704 N ARG A 49 -1.148 1.123 -10.118 1.00 0.00 N ATOM 705 CA ARG A 49 -1.933 2.081 -10.888 1.00 0.00 C ATOM 706 C ARG A 49 -3.396 2.057 -10.456 1.00 0.00 C ATOM 707 O ARG A 49 -3.801 1.224 -9.645 1.00 0.00 O ATOM 708 CB ARG A 49 -1.825 1.776 -12.383 1.00 0.00 C ATOM 709 CG ARG A 49 -0.404 1.843 -12.917 1.00 0.00 C ATOM 710 CD ARG A 49 0.133 3.265 -12.895 1.00 0.00 C ATOM 711 NE ARG A 49 -0.580 4.134 -13.828 1.00 0.00 N ATOM 712 CZ ARG A 49 -0.475 4.038 -15.148 1.00 0.00 C ATOM 713 NH1 ARG A 49 0.308 3.114 -15.689 1.00 0.00 N ATOM 714 NH2 ARG A 49 -1.156 4.865 -15.931 1.00 0.00 N ATOM 0 H ARG A 49 -1.689 0.350 -9.730 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.533 3.077 -10.698 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.229 0.781 -12.572 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.445 2.482 -12.935 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.241 1.200 -12.319 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.379 1.459 -13.937 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.048 3.669 -11.886 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.194 3.256 -13.146 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.192 4.854 -13.444 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.831 2.475 -15.091 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.387 3.043 -16.703 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.761 5.575 -15.519 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.075 4.790 -16.945 1.00 0.00 H new ATOM 728 N ALA A 50 -4.185 2.975 -11.005 1.00 0.00 N ATOM 729 CA ALA A 50 -5.603 3.058 -10.678 1.00 0.00 C ATOM 730 C ALA A 50 -6.402 1.999 -11.429 1.00 0.00 C ATOM 731 O ALA A 50 -6.694 2.153 -12.615 1.00 0.00 O ATOM 732 CB ALA A 50 -6.137 4.447 -10.994 1.00 0.00 C ATOM 0 H ALA A 50 -3.866 3.672 -11.678 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.716 2.872 -9.610 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.197 4.495 -10.745 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.593 5.188 -10.408 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.004 4.655 -12.056 1.00 0.00 H new ATOM 738 N SER A 51 -6.753 0.923 -10.732 1.00 0.00 N ATOM 739 CA SER A 51 -7.514 -0.164 -11.334 1.00 0.00 C ATOM 740 C SER A 51 -8.443 -0.810 -10.310 1.00 0.00 C ATOM 741 O SER A 51 -8.410 -0.475 -9.127 1.00 0.00 O ATOM 742 CB SER A 51 -6.568 -1.216 -11.917 1.00 0.00 C ATOM 743 OG SER A 51 -5.960 -0.751 -13.109 1.00 0.00 O ATOM 0 H SER A 51 -6.522 0.781 -9.749 1.00 0.00 H new ATOM 0 HA SER A 51 -8.122 0.253 -12.137 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.799 -1.463 -11.185 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.120 -2.133 -12.121 1.00 0.00 H new ATOM 0 HG SER A 51 -6.195 0.190 -13.251 1.00 0.00 H new ATOM 749 N GLY A 52 -9.272 -1.740 -10.776 1.00 0.00 N ATOM 750 CA GLY A 52 -10.199 -2.418 -9.889 1.00 0.00 C ATOM 751 C GLY A 52 -9.552 -2.835 -8.583 1.00 0.00 C ATOM 752 O GLY A 52 -10.203 -2.857 -7.538 1.00 0.00 O ATOM 0 H GLY A 52 -9.318 -2.035 -11.751 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.043 -1.761 -9.679 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.598 -3.299 -10.391 1.00 0.00 H new ATOM 756 N LYS A 53 -8.266 -3.167 -8.640 1.00 0.00 N ATOM 757 CA LYS A 53 -7.530 -3.585 -7.454 1.00 0.00 C ATOM 758 C LYS A 53 -7.075 -2.377 -6.641 1.00 0.00 C ATOM 759 O LYS A 53 -7.592 -2.118 -5.554 1.00 0.00 O ATOM 760 CB LYS A 53 -6.318 -4.430 -7.853 1.00 0.00 C ATOM 761 CG LYS A 53 -5.728 -5.228 -6.703 1.00 0.00 C ATOM 762 CD LYS A 53 -6.658 -6.347 -6.266 1.00 0.00 C ATOM 763 CE LYS A 53 -6.053 -7.167 -5.136 1.00 0.00 C ATOM 764 NZ LYS A 53 -5.100 -8.192 -5.644 1.00 0.00 N ATOM 0 H LYS A 53 -7.712 -3.154 -9.497 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.197 -4.186 -6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.610 -5.116 -8.648 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.548 -3.776 -8.263 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.769 -5.648 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.534 -4.565 -5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.609 -5.925 -5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.871 -6.997 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.537 -6.504 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.849 -7.657 -4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.173 -9.052 -5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.330 -8.421 -6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.130 -7.820 -5.592 1.00 0.00 H new ATOM 778 N HIS A 54 -6.107 -1.640 -7.177 1.00 0.00 N ATOM 779 CA HIS A 54 -5.585 -0.457 -6.501 1.00 0.00 C ATOM 780 C HIS A 54 -6.216 0.813 -7.064 1.00 0.00 C ATOM 781 O HIS A 54 -5.867 1.259 -8.156 1.00 0.00 O ATOM 782 CB HIS A 54 -4.064 -0.391 -6.646 1.00 0.00 C ATOM 783 CG HIS A 54 -3.398 -1.731 -6.586 1.00 0.00 C ATOM 784 ND1 HIS A 54 -3.036 -2.443 -7.710 1.00 0.00 N ATOM 785 CD2 HIS A 54 -3.028 -2.489 -5.527 1.00 0.00 C ATOM 786 CE1 HIS A 54 -2.473 -3.581 -7.346 1.00 0.00 C ATOM 787 NE2 HIS A 54 -2.456 -3.633 -6.026 1.00 0.00 N ATOM 0 H HIS A 54 -5.669 -1.841 -8.076 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.840 -0.531 -5.444 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.818 0.086 -7.595 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.659 0.242 -5.857 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.158 -2.240 -4.484 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.092 -4.340 -8.014 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.079 -4.399 -5.468 1.00 0.00 H new ATOM 796 N GLN A 55 -7.148 1.389 -6.311 1.00 0.00 N ATOM 797 CA GLN A 55 -7.829 2.606 -6.736 1.00 0.00 C ATOM 798 C GLN A 55 -7.518 3.762 -5.790 1.00 0.00 C ATOM 799 O GLN A 55 -8.218 3.994 -4.804 1.00 0.00 O ATOM 800 CB GLN A 55 -9.339 2.375 -6.799 1.00 0.00 C ATOM 801 CG GLN A 55 -10.130 3.618 -7.177 1.00 0.00 C ATOM 802 CD GLN A 55 -10.280 3.780 -8.677 1.00 0.00 C ATOM 803 OE1 GLN A 55 -11.219 3.258 -9.278 1.00 0.00 O ATOM 804 NE2 GLN A 55 -9.353 4.507 -9.290 1.00 0.00 N ATOM 0 H GLN A 55 -7.448 1.032 -5.404 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.467 2.867 -7.731 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.548 1.588 -7.523 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.684 2.016 -5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.118 3.568 -6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.634 4.498 -6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.592 4.921 -8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.402 4.651 -10.299 1.00 0.00 H new ATOM 813 N PRO A 56 -6.444 4.505 -6.096 1.00 0.00 N ATOM 814 CA PRO A 56 -6.016 5.649 -5.286 1.00 0.00 C ATOM 815 C PRO A 56 -6.981 6.825 -5.389 1.00 0.00 C ATOM 816 O PRO A 56 -7.945 6.785 -6.154 1.00 0.00 O ATOM 817 CB PRO A 56 -4.657 6.019 -5.884 1.00 0.00 C ATOM 818 CG PRO A 56 -4.713 5.524 -7.288 1.00 0.00 C ATOM 819 CD PRO A 56 -5.565 4.285 -7.257 1.00 0.00 C ATOM 0 HA PRO A 56 -5.977 5.405 -4.224 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.490 7.096 -5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.841 5.552 -5.332 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.142 6.276 -7.950 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.714 5.301 -7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.137 4.167 -8.177 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.961 3.385 -7.139 1.00 0.00 H new ATOM 827 N SER A 57 -6.716 7.872 -4.615 1.00 0.00 N ATOM 828 CA SER A 57 -7.563 9.059 -4.617 1.00 0.00 C ATOM 829 C SER A 57 -6.763 10.299 -4.227 1.00 0.00 C ATOM 830 O SER A 57 -5.562 10.219 -3.970 1.00 0.00 O ATOM 831 CB SER A 57 -8.739 8.874 -3.656 1.00 0.00 C ATOM 832 OG SER A 57 -9.760 8.088 -4.245 1.00 0.00 O ATOM 0 H SER A 57 -5.921 7.923 -3.978 1.00 0.00 H new ATOM 0 HA SER A 57 -7.947 9.199 -5.627 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.392 8.397 -2.739 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.141 9.848 -3.376 1.00 0.00 H new ATOM 0 HG SER A 57 -9.410 7.643 -5.045 1.00 0.00 H new ATOM 838 N GLN A 58 -7.439 11.442 -4.185 1.00 0.00 N ATOM 839 CA GLN A 58 -6.791 12.699 -3.827 1.00 0.00 C ATOM 840 C GLN A 58 -7.741 13.595 -3.039 1.00 0.00 C ATOM 841 O GLN A 58 -8.862 13.859 -3.471 1.00 0.00 O ATOM 842 CB GLN A 58 -6.310 13.425 -5.084 1.00 0.00 C ATOM 843 CG GLN A 58 -5.630 14.754 -4.796 1.00 0.00 C ATOM 844 CD GLN A 58 -4.134 14.611 -4.590 1.00 0.00 C ATOM 845 OE1 GLN A 58 -3.480 13.804 -5.251 1.00 0.00 O ATOM 846 NE2 GLN A 58 -3.585 15.396 -3.671 1.00 0.00 N ATOM 0 H GLN A 58 -8.434 11.524 -4.394 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.931 12.470 -3.198 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.616 12.780 -5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.161 13.597 -5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.815 15.439 -5.623 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.075 15.200 -3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.166 16.051 -3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.583 15.345 -3.489 1.00 0.00 H new ATOM 855 N GLU A 59 -7.283 14.060 -1.880 1.00 0.00 N ATOM 856 CA GLU A 59 -8.094 14.925 -1.032 1.00 0.00 C ATOM 857 C GLU A 59 -7.231 15.988 -0.357 1.00 0.00 C ATOM 858 O GLU A 59 -6.009 15.990 -0.495 1.00 0.00 O ATOM 859 CB GLU A 59 -8.826 14.099 0.028 1.00 0.00 C ATOM 860 CG GLU A 59 -10.097 13.443 -0.483 1.00 0.00 C ATOM 861 CD GLU A 59 -11.257 14.415 -0.579 1.00 0.00 C ATOM 862 OE1 GLU A 59 -11.847 14.738 0.473 1.00 0.00 O ATOM 863 OE2 GLU A 59 -11.575 14.851 -1.705 1.00 0.00 O ATOM 0 H GLU A 59 -6.356 13.852 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.829 15.424 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.154 13.327 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.073 14.743 0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.908 13.010 -1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.370 12.622 0.180 1.00 0.00 H new ATOM 870 N GLY A 60 -7.878 16.891 0.373 1.00 0.00 N ATOM 871 CA GLY A 60 -7.155 17.947 1.058 1.00 0.00 C ATOM 872 C GLY A 60 -5.927 17.434 1.782 1.00 0.00 C ATOM 873 O GLY A 60 -6.029 16.875 2.875 1.00 0.00 O ATOM 0 H GLY A 60 -8.890 16.910 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.856 18.706 0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.819 18.432 1.774 1.00 0.00 H new ATOM 877 N LEU A 61 -4.761 17.621 1.173 1.00 0.00 N ATOM 878 CA LEU A 61 -3.507 17.171 1.766 1.00 0.00 C ATOM 879 C LEU A 61 -3.653 15.770 2.350 1.00 0.00 C ATOM 880 O LEU A 61 -2.975 15.414 3.315 1.00 0.00 O ATOM 881 CB LEU A 61 -3.056 18.146 2.855 1.00 0.00 C ATOM 882 CG LEU A 61 -2.690 19.555 2.385 1.00 0.00 C ATOM 883 CD1 LEU A 61 -2.592 20.503 3.569 1.00 0.00 C ATOM 884 CD2 LEU A 61 -1.383 19.534 1.606 1.00 0.00 C ATOM 0 H LEU A 61 -4.658 18.081 0.269 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.752 17.140 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.852 18.227 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.192 17.718 3.363 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.478 19.914 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.331 21.501 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.551 20.540 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.824 20.149 4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.138 20.545 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.585 19.155 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.489 18.887 0.735 1.00 0.00 H new ATOM 896 N THR A 62 -4.540 14.977 1.759 1.00 0.00 N ATOM 897 CA THR A 62 -4.775 13.614 2.220 1.00 0.00 C ATOM 898 C THR A 62 -4.885 12.648 1.046 1.00 0.00 C ATOM 899 O THR A 62 -5.655 12.876 0.111 1.00 0.00 O ATOM 900 CB THR A 62 -6.056 13.521 3.069 1.00 0.00 C ATOM 901 OG1 THR A 62 -6.030 14.510 4.105 1.00 0.00 O ATOM 902 CG2 THR A 62 -6.197 12.137 3.686 1.00 0.00 C ATOM 0 H THR A 62 -5.108 15.255 0.959 1.00 0.00 H new ATOM 0 HA THR A 62 -3.920 13.337 2.836 1.00 0.00 H new ATOM 0 HB THR A 62 -6.911 13.700 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.187 15.396 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.109 12.095 4.281 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.246 11.389 2.895 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.337 11.934 4.325 1.00 0.00 H new ATOM 910 N LEU A 63 -4.114 11.568 1.099 1.00 0.00 N ATOM 911 CA LEU A 63 -4.126 10.566 0.040 1.00 0.00 C ATOM 912 C LEU A 63 -4.361 9.171 0.612 1.00 0.00 C ATOM 913 O LEU A 63 -4.033 8.900 1.767 1.00 0.00 O ATOM 914 CB LEU A 63 -2.806 10.596 -0.733 1.00 0.00 C ATOM 915 CG LEU A 63 -2.362 11.965 -1.250 1.00 0.00 C ATOM 916 CD1 LEU A 63 -0.848 12.019 -1.386 1.00 0.00 C ATOM 917 CD2 LEU A 63 -3.031 12.276 -2.581 1.00 0.00 C ATOM 0 H LEU A 63 -3.472 11.364 1.865 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.944 10.803 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.021 10.202 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.890 9.919 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.668 12.721 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.551 13.001 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.389 11.843 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.518 11.252 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.703 13.254 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.757 11.516 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.113 12.281 -2.452 1.00 0.00 H new ATOM 929 N ARG A 64 -4.929 8.290 -0.205 1.00 0.00 N ATOM 930 CA ARG A 64 -5.207 6.923 0.220 1.00 0.00 C ATOM 931 C ARG A 64 -5.344 5.997 -0.985 1.00 0.00 C ATOM 932 O ARG A 64 -5.657 6.441 -2.091 1.00 0.00 O ATOM 933 CB ARG A 64 -6.484 6.878 1.060 1.00 0.00 C ATOM 934 CG ARG A 64 -7.735 7.264 0.289 1.00 0.00 C ATOM 935 CD ARG A 64 -8.955 7.313 1.195 1.00 0.00 C ATOM 936 NE ARG A 64 -9.627 6.019 1.280 1.00 0.00 N ATOM 937 CZ ARG A 64 -10.601 5.752 2.142 1.00 0.00 C ATOM 938 NH1 ARG A 64 -11.015 6.684 2.989 1.00 0.00 N ATOM 939 NH2 ARG A 64 -11.163 4.550 2.159 1.00 0.00 N ATOM 0 H ARG A 64 -5.206 8.498 -1.164 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.369 6.579 0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.610 5.872 1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.372 7.548 1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.589 8.237 -0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.905 6.546 -0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.653 7.631 2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.654 8.061 0.821 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.332 5.280 0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.585 7.609 2.980 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.763 6.476 3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.847 3.830 1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.911 4.346 2.822 1.00 0.00 H new ATOM 953 N LEU A 65 -5.109 4.709 -0.764 1.00 0.00 N ATOM 954 CA LEU A 65 -5.206 3.719 -1.831 1.00 0.00 C ATOM 955 C LEU A 65 -5.997 2.498 -1.372 1.00 0.00 C ATOM 956 O LEU A 65 -5.555 1.750 -0.499 1.00 0.00 O ATOM 957 CB LEU A 65 -3.810 3.294 -2.288 1.00 0.00 C ATOM 958 CG LEU A 65 -3.756 2.182 -3.337 1.00 0.00 C ATOM 959 CD1 LEU A 65 -4.178 2.712 -4.698 1.00 0.00 C ATOM 960 CD2 LEU A 65 -2.360 1.581 -3.405 1.00 0.00 C ATOM 0 H LEU A 65 -4.850 4.325 0.145 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.733 4.176 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.299 4.169 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.247 2.969 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.453 1.397 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.133 1.907 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.197 3.094 -4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.506 3.516 -5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.340 0.792 -4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.643 2.356 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.096 1.164 -2.433 1.00 0.00 H new ATOM 972 N THR A 66 -7.170 2.301 -1.966 1.00 0.00 N ATOM 973 CA THR A 66 -8.023 1.171 -1.618 1.00 0.00 C ATOM 974 C THR A 66 -7.568 -0.099 -2.329 1.00 0.00 C ATOM 975 O THR A 66 -7.339 -0.096 -3.538 1.00 0.00 O ATOM 976 CB THR A 66 -9.495 1.447 -1.977 1.00 0.00 C ATOM 977 OG1 THR A 66 -9.919 2.683 -1.390 1.00 0.00 O ATOM 978 CG2 THR A 66 -10.391 0.317 -1.493 1.00 0.00 C ATOM 0 H THR A 66 -7.551 2.910 -2.691 1.00 0.00 H new ATOM 0 HA THR A 66 -7.940 1.031 -0.540 1.00 0.00 H new ATOM 0 HB THR A 66 -9.575 1.514 -3.062 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.855 2.852 -1.624 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.426 0.534 -1.758 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.084 -0.617 -1.963 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.306 0.223 -0.410 1.00 0.00 H new ATOM 986 N ILE A 67 -7.440 -1.182 -1.570 1.00 0.00 N ATOM 987 CA ILE A 67 -7.015 -2.459 -2.128 1.00 0.00 C ATOM 988 C ILE A 67 -7.957 -3.583 -1.710 1.00 0.00 C ATOM 989 O ILE A 67 -7.842 -4.128 -0.613 1.00 0.00 O ATOM 990 CB ILE A 67 -5.582 -2.816 -1.689 1.00 0.00 C ATOM 991 CG1 ILE A 67 -4.643 -1.632 -1.926 1.00 0.00 C ATOM 992 CG2 ILE A 67 -5.091 -4.047 -2.436 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.364 -1.705 -1.122 1.00 0.00 C ATOM 0 H ILE A 67 -7.625 -1.200 -0.567 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.039 -2.353 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.589 -3.041 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.394 -1.583 -2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.166 -0.708 -1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.077 -4.287 -2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.749 -4.889 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.095 -3.848 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.747 -0.833 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.603 -1.723 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.819 -2.611 -1.387 1.00 0.00 H new ATOM 1005 N SER A 68 -8.889 -3.925 -2.594 1.00 0.00 N ATOM 1006 CA SER A 68 -9.854 -4.983 -2.317 1.00 0.00 C ATOM 1007 C SER A 68 -9.353 -6.326 -2.841 1.00 0.00 C ATOM 1008 O SER A 68 -8.366 -6.390 -3.572 1.00 0.00 O ATOM 1009 CB SER A 68 -11.206 -4.648 -2.950 1.00 0.00 C ATOM 1010 OG SER A 68 -12.266 -5.281 -2.254 1.00 0.00 O ATOM 0 H SER A 68 -8.996 -3.485 -3.508 1.00 0.00 H new ATOM 0 HA SER A 68 -9.975 -5.056 -1.236 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.356 -3.568 -2.944 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.211 -4.965 -3.993 1.00 0.00 H new ATOM 0 HG SER A 68 -13.119 -5.050 -2.677 1.00 0.00 H new ATOM 1016 N ALA A 69 -10.042 -7.396 -2.460 1.00 0.00 N ATOM 1017 CA ALA A 69 -9.670 -8.738 -2.892 1.00 0.00 C ATOM 1018 C ALA A 69 -8.281 -9.112 -2.385 1.00 0.00 C ATOM 1019 O ALA A 69 -7.483 -9.706 -3.111 1.00 0.00 O ATOM 1020 CB ALA A 69 -9.725 -8.838 -4.409 1.00 0.00 C ATOM 0 H ALA A 69 -10.861 -7.360 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.385 -9.442 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.445 -9.845 -4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.737 -8.622 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.033 -8.119 -4.846 1.00 0.00 H new ATOM 1026 N LEU A 70 -7.998 -8.761 -1.136 1.00 0.00 N ATOM 1027 CA LEU A 70 -6.705 -9.060 -0.531 1.00 0.00 C ATOM 1028 C LEU A 70 -6.381 -10.546 -0.644 1.00 0.00 C ATOM 1029 O LEU A 70 -7.240 -11.352 -0.999 1.00 0.00 O ATOM 1030 CB LEU A 70 -6.696 -8.634 0.938 1.00 0.00 C ATOM 1031 CG LEU A 70 -6.948 -7.151 1.209 1.00 0.00 C ATOM 1032 CD1 LEU A 70 -7.407 -6.940 2.644 1.00 0.00 C ATOM 1033 CD2 LEU A 70 -5.695 -6.336 0.923 1.00 0.00 C ATOM 0 H LEU A 70 -8.647 -8.269 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.941 -8.499 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.452 -9.213 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.731 -8.902 1.367 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.740 -6.810 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.581 -5.878 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.331 -7.492 2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.638 -7.298 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.893 -5.283 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.883 -6.680 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.410 -6.461 -0.122 1.00 0.00 H new ATOM 1045 N GLU A 71 -5.137 -10.900 -0.337 1.00 0.00 N ATOM 1046 CA GLU A 71 -4.701 -12.290 -0.404 1.00 0.00 C ATOM 1047 C GLU A 71 -3.388 -12.485 0.348 1.00 0.00 C ATOM 1048 O GLU A 71 -2.582 -11.562 0.463 1.00 0.00 O ATOM 1049 CB GLU A 71 -4.538 -12.728 -1.861 1.00 0.00 C ATOM 1050 CG GLU A 71 -3.455 -11.966 -2.607 1.00 0.00 C ATOM 1051 CD GLU A 71 -3.745 -11.844 -4.090 1.00 0.00 C ATOM 1052 OE1 GLU A 71 -4.696 -11.120 -4.452 1.00 0.00 O ATOM 1053 OE2 GLU A 71 -3.020 -12.472 -4.890 1.00 0.00 O ATOM 0 H GLU A 71 -4.414 -10.244 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.465 -12.907 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.306 -13.793 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.487 -12.595 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.355 -10.969 -2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.499 -12.471 -2.468 1.00 0.00 H new ATOM 1060 N LYS A 72 -3.179 -13.694 0.859 1.00 0.00 N ATOM 1061 CA LYS A 72 -1.964 -14.012 1.600 1.00 0.00 C ATOM 1062 C LYS A 72 -0.738 -13.417 0.916 1.00 0.00 C ATOM 1063 O LYS A 72 0.216 -13.007 1.577 1.00 0.00 O ATOM 1064 CB LYS A 72 -1.803 -15.529 1.728 1.00 0.00 C ATOM 1065 CG LYS A 72 -2.760 -16.160 2.725 1.00 0.00 C ATOM 1066 CD LYS A 72 -2.315 -15.914 4.157 1.00 0.00 C ATOM 1067 CE LYS A 72 -3.386 -16.331 5.153 1.00 0.00 C ATOM 1068 NZ LYS A 72 -3.399 -17.804 5.371 1.00 0.00 N ATOM 0 H LYS A 72 -3.836 -14.470 0.773 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.051 -13.576 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.956 -15.986 0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.779 -15.753 2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.760 -15.752 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.823 -17.233 2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.398 -16.468 4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.084 -14.857 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.215 -15.825 6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.363 -16.009 4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.143 -18.047 6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.588 -18.287 4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.476 -18.108 5.740 1.00 0.00 H new ATOM 1082 N ALA A 73 -0.771 -13.371 -0.412 1.00 0.00 N ATOM 1083 CA ALA A 73 0.336 -12.822 -1.185 1.00 0.00 C ATOM 1084 C ALA A 73 0.406 -11.305 -1.044 1.00 0.00 C ATOM 1085 O ALA A 73 1.469 -10.745 -0.778 1.00 0.00 O ATOM 1086 CB ALA A 73 0.202 -13.211 -2.650 1.00 0.00 C ATOM 0 H ALA A 73 -1.552 -13.707 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 73 1.262 -13.241 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.036 -12.794 -3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.210 -14.297 -2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.736 -12.821 -3.046 1.00 0.00 H new ATOM 1092 N ASP A 74 -0.734 -10.646 -1.223 1.00 0.00 N ATOM 1093 CA ASP A 74 -0.802 -9.193 -1.115 1.00 0.00 C ATOM 1094 C ASP A 74 0.071 -8.692 0.030 1.00 0.00 C ATOM 1095 O ASP A 74 0.774 -7.690 -0.104 1.00 0.00 O ATOM 1096 CB ASP A 74 -2.249 -8.744 -0.905 1.00 0.00 C ATOM 1097 CG ASP A 74 -3.011 -8.618 -2.209 1.00 0.00 C ATOM 1098 OD1 ASP A 74 -2.502 -9.099 -3.243 1.00 0.00 O ATOM 1099 OD2 ASP A 74 -4.118 -8.038 -2.196 1.00 0.00 O ATOM 0 H ASP A 74 -1.623 -11.095 -1.443 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.429 -8.766 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.758 -9.458 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.257 -7.784 -0.389 1.00 0.00 H new ATOM 1104 N SER A 75 0.021 -9.395 1.157 1.00 0.00 N ATOM 1105 CA SER A 75 0.804 -9.018 2.329 1.00 0.00 C ATOM 1106 C SER A 75 2.240 -8.681 1.937 1.00 0.00 C ATOM 1107 O SER A 75 3.061 -9.572 1.722 1.00 0.00 O ATOM 1108 CB SER A 75 0.796 -10.149 3.359 1.00 0.00 C ATOM 1109 OG SER A 75 1.485 -11.288 2.871 1.00 0.00 O ATOM 0 H SER A 75 -0.553 -10.228 1.284 1.00 0.00 H new ATOM 0 HA SER A 75 0.349 -8.131 2.770 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.262 -9.807 4.283 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.232 -10.418 3.601 1.00 0.00 H new ATOM 0 HG SER A 75 0.866 -11.851 2.361 1.00 0.00 H new ATOM 1115 N ASP A 76 2.534 -7.389 1.847 1.00 0.00 N ATOM 1116 CA ASP A 76 3.870 -6.932 1.483 1.00 0.00 C ATOM 1117 C ASP A 76 4.082 -5.481 1.902 1.00 0.00 C ATOM 1118 O ASP A 76 3.221 -4.876 2.542 1.00 0.00 O ATOM 1119 CB ASP A 76 4.088 -7.078 -0.024 1.00 0.00 C ATOM 1120 CG ASP A 76 5.542 -7.325 -0.378 1.00 0.00 C ATOM 1121 OD1 ASP A 76 6.313 -7.719 0.523 1.00 0.00 O ATOM 1122 OD2 ASP A 76 5.908 -7.125 -1.554 1.00 0.00 O ATOM 0 H ASP A 76 1.865 -6.639 2.021 1.00 0.00 H new ATOM 0 HA ASP A 76 4.595 -7.552 2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.481 -7.903 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.743 -6.175 -0.527 1.00 0.00 H new ATOM 1127 N THR A 77 5.235 -4.928 1.539 1.00 0.00 N ATOM 1128 CA THR A 77 5.561 -3.549 1.880 1.00 0.00 C ATOM 1129 C THR A 77 5.234 -2.606 0.728 1.00 0.00 C ATOM 1130 O THR A 77 5.772 -2.743 -0.371 1.00 0.00 O ATOM 1131 CB THR A 77 7.050 -3.398 2.245 1.00 0.00 C ATOM 1132 OG1 THR A 77 7.351 -4.178 3.408 1.00 0.00 O ATOM 1133 CG2 THR A 77 7.398 -1.940 2.503 1.00 0.00 C ATOM 0 H THR A 77 5.958 -5.414 1.009 1.00 0.00 H new ATOM 0 HA THR A 77 4.953 -3.285 2.746 1.00 0.00 H new ATOM 0 HB THR A 77 7.645 -3.755 1.405 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.300 -4.078 3.632 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.454 -1.858 2.759 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.195 -1.353 1.607 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.794 -1.562 3.328 1.00 0.00 H new ATOM 1141 N TYR A 78 4.350 -1.648 0.986 1.00 0.00 N ATOM 1142 CA TYR A 78 3.950 -0.683 -0.031 1.00 0.00 C ATOM 1143 C TYR A 78 4.678 0.644 0.162 1.00 0.00 C ATOM 1144 O TYR A 78 5.124 0.968 1.263 1.00 0.00 O ATOM 1145 CB TYR A 78 2.438 -0.459 0.015 1.00 0.00 C ATOM 1146 CG TYR A 78 1.632 -1.714 -0.237 1.00 0.00 C ATOM 1147 CD1 TYR A 78 1.724 -2.805 0.619 1.00 0.00 C ATOM 1148 CD2 TYR A 78 0.780 -1.808 -1.330 1.00 0.00 C ATOM 1149 CE1 TYR A 78 0.990 -3.954 0.392 1.00 0.00 C ATOM 1150 CE2 TYR A 78 0.042 -2.952 -1.564 1.00 0.00 C ATOM 1151 CZ TYR A 78 0.150 -4.022 -0.700 1.00 0.00 C ATOM 1152 OH TYR A 78 -0.582 -5.164 -0.930 1.00 0.00 O ATOM 0 H TYR A 78 3.897 -1.519 1.891 1.00 0.00 H new ATOM 0 HA TYR A 78 4.221 -1.087 -1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.169 -0.054 0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.168 0.292 -0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.380 -2.754 1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.693 -0.972 -2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.074 -4.794 1.066 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.616 -3.008 -2.419 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.072 -5.945 -0.631 1.00 0.00 H new ATOM 1162 N THR A 79 4.794 1.410 -0.919 1.00 0.00 N ATOM 1163 CA THR A 79 5.467 2.702 -0.871 1.00 0.00 C ATOM 1164 C THR A 79 4.687 3.757 -1.647 1.00 0.00 C ATOM 1165 O THR A 79 4.509 3.644 -2.860 1.00 0.00 O ATOM 1166 CB THR A 79 6.895 2.612 -1.442 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.723 1.835 -0.570 1.00 0.00 O ATOM 1168 CG2 THR A 79 7.496 3.999 -1.617 1.00 0.00 C ATOM 0 H THR A 79 4.430 1.158 -1.838 1.00 0.00 H new ATOM 0 HA THR A 79 5.520 2.993 0.178 1.00 0.00 H new ATOM 0 HB THR A 79 6.843 2.130 -2.418 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.629 1.781 -0.941 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.504 3.910 -2.021 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.879 4.579 -2.304 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.535 4.503 -0.651 1.00 0.00 H new ATOM 1176 N CYS A 80 4.225 4.783 -0.940 1.00 0.00 N ATOM 1177 CA CYS A 80 3.463 5.859 -1.564 1.00 0.00 C ATOM 1178 C CYS A 80 4.383 6.999 -1.990 1.00 0.00 C ATOM 1179 O CYS A 80 4.820 7.800 -1.164 1.00 0.00 O ATOM 1180 CB CYS A 80 2.397 6.382 -0.600 1.00 0.00 C ATOM 1181 SG CYS A 80 1.510 7.839 -1.200 1.00 0.00 S ATOM 0 H CYS A 80 4.365 4.892 0.064 1.00 0.00 H new ATOM 0 HA CYS A 80 2.974 5.458 -2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.678 5.587 -0.405 1.00 0.00 H new ATOM 0 HB3 CYS A 80 2.870 6.624 0.351 1.00 0.00 H new ATOM 0 HG CYS A 80 0.274 7.522 -1.450 1.00 0.00 H new ATOM 1187 N ASP A 81 4.673 7.065 -3.285 1.00 0.00 N ATOM 1188 CA ASP A 81 5.542 8.106 -3.822 1.00 0.00 C ATOM 1189 C ASP A 81 4.720 9.267 -4.374 1.00 0.00 C ATOM 1190 O ASP A 81 3.693 9.061 -5.020 1.00 0.00 O ATOM 1191 CB ASP A 81 6.441 7.534 -4.919 1.00 0.00 C ATOM 1192 CG ASP A 81 7.343 8.586 -5.535 1.00 0.00 C ATOM 1193 OD1 ASP A 81 6.816 9.498 -6.205 1.00 0.00 O ATOM 1194 OD2 ASP A 81 8.574 8.496 -5.347 1.00 0.00 O ATOM 0 H ASP A 81 4.319 6.410 -3.982 1.00 0.00 H new ATOM 0 HA ASP A 81 6.166 8.479 -3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.053 6.734 -4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.821 7.090 -5.698 1.00 0.00 H new ATOM 1199 N ILE A 82 5.180 10.486 -4.114 1.00 0.00 N ATOM 1200 CA ILE A 82 4.488 11.679 -4.585 1.00 0.00 C ATOM 1201 C ILE A 82 5.351 12.464 -5.567 1.00 0.00 C ATOM 1202 O ILE A 82 4.847 13.273 -6.345 1.00 0.00 O ATOM 1203 CB ILE A 82 4.093 12.600 -3.416 1.00 0.00 C ATOM 1204 CG1 ILE A 82 5.312 12.898 -2.539 1.00 0.00 C ATOM 1205 CG2 ILE A 82 2.984 11.964 -2.591 1.00 0.00 C ATOM 1206 CD1 ILE A 82 5.234 14.231 -1.828 1.00 0.00 C ATOM 0 H ILE A 82 6.029 10.673 -3.580 1.00 0.00 H new ATOM 0 HA ILE A 82 3.584 11.340 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 82 3.722 13.541 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.419 12.106 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.209 12.878 -3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.716 12.627 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.111 11.797 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.329 11.011 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.131 14.375 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.159 15.032 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.356 14.248 -1.182 1.00 0.00 H new ATOM 1218 N GLY A 83 6.657 12.218 -5.526 1.00 0.00 N ATOM 1219 CA GLY A 83 7.570 12.909 -6.418 1.00 0.00 C ATOM 1220 C GLY A 83 8.896 13.230 -5.756 1.00 0.00 C ATOM 1221 O GLY A 83 9.957 12.981 -6.327 1.00 0.00 O ATOM 0 H GLY A 83 7.099 11.553 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.747 12.293 -7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.106 13.833 -6.763 1.00 0.00 H new ATOM 1225 N GLN A 84 8.834 13.784 -4.549 1.00 0.00 N ATOM 1226 CA GLN A 84 10.039 14.142 -3.811 1.00 0.00 C ATOM 1227 C GLN A 84 10.158 13.319 -2.532 1.00 0.00 C ATOM 1228 O GLN A 84 11.260 13.066 -2.046 1.00 0.00 O ATOM 1229 CB GLN A 84 10.032 15.633 -3.473 1.00 0.00 C ATOM 1230 CG GLN A 84 11.422 16.239 -3.361 1.00 0.00 C ATOM 1231 CD GLN A 84 11.449 17.710 -3.724 1.00 0.00 C ATOM 1232 OE1 GLN A 84 11.991 18.534 -2.987 1.00 0.00 O ATOM 1233 NE2 GLN A 84 10.862 18.049 -4.867 1.00 0.00 N ATOM 0 H GLN A 84 7.963 13.994 -4.062 1.00 0.00 H new ATOM 0 HA GLN A 84 10.900 13.925 -4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.472 16.168 -4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.503 15.781 -2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.788 16.114 -2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.105 15.695 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.425 17.333 -5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.849 19.025 -5.164 1.00 0.00 H new ATOM 1242 N ALA A 85 9.016 12.905 -1.993 1.00 0.00 N ATOM 1243 CA ALA A 85 8.993 12.110 -0.771 1.00 0.00 C ATOM 1244 C ALA A 85 8.168 10.841 -0.958 1.00 0.00 C ATOM 1245 O ALA A 85 7.327 10.763 -1.853 1.00 0.00 O ATOM 1246 CB ALA A 85 8.443 12.933 0.384 1.00 0.00 C ATOM 0 H ALA A 85 8.095 13.107 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 85 10.017 11.817 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.432 12.327 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.074 13.808 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.428 13.255 0.150 1.00 0.00 H new ATOM 1252 N GLN A 86 8.416 9.849 -0.109 1.00 0.00 N ATOM 1253 CA GLN A 86 7.696 8.583 -0.183 1.00 0.00 C ATOM 1254 C GLN A 86 7.511 7.980 1.206 1.00 0.00 C ATOM 1255 O GLN A 86 8.288 8.254 2.121 1.00 0.00 O ATOM 1256 CB GLN A 86 8.445 7.598 -1.083 1.00 0.00 C ATOM 1257 CG GLN A 86 8.883 8.199 -2.409 1.00 0.00 C ATOM 1258 CD GLN A 86 10.195 8.951 -2.303 1.00 0.00 C ATOM 1259 OE1 GLN A 86 11.007 8.685 -1.416 1.00 0.00 O ATOM 1260 NE2 GLN A 86 10.411 9.896 -3.210 1.00 0.00 N ATOM 0 H GLN A 86 9.109 9.897 0.638 1.00 0.00 H new ATOM 0 HA GLN A 86 6.712 8.778 -0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.323 7.229 -0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.805 6.737 -1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.983 7.405 -3.149 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.109 8.876 -2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.711 10.084 -3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 86 11.277 10.434 -3.189 1.00 0.00 H new ATOM 1269 N SER A 87 6.476 7.159 1.356 1.00 0.00 N ATOM 1270 CA SER A 87 6.186 6.521 2.635 1.00 0.00 C ATOM 1271 C SER A 87 6.328 5.005 2.530 1.00 0.00 C ATOM 1272 O SER A 87 6.639 4.472 1.465 1.00 0.00 O ATOM 1273 CB SER A 87 4.774 6.882 3.100 1.00 0.00 C ATOM 1274 OG SER A 87 4.444 6.205 4.300 1.00 0.00 O ATOM 0 H SER A 87 5.825 6.920 0.608 1.00 0.00 H new ATOM 0 HA SER A 87 6.906 6.886 3.367 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.703 7.959 3.255 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.055 6.623 2.323 1.00 0.00 H new ATOM 0 HG SER A 87 4.711 6.752 5.068 1.00 0.00 H new ATOM 1280 N ARG A 88 6.096 4.317 3.643 1.00 0.00 N ATOM 1281 CA ARG A 88 6.199 2.863 3.678 1.00 0.00 C ATOM 1282 C ARG A 88 5.302 2.281 4.767 1.00 0.00 C ATOM 1283 O ARG A 88 5.152 2.866 5.839 1.00 0.00 O ATOM 1284 CB ARG A 88 7.649 2.439 3.916 1.00 0.00 C ATOM 1285 CG ARG A 88 8.531 2.567 2.684 1.00 0.00 C ATOM 1286 CD ARG A 88 9.764 1.683 2.787 1.00 0.00 C ATOM 1287 NE ARG A 88 10.881 2.374 3.426 1.00 0.00 N ATOM 1288 CZ ARG A 88 11.044 2.447 4.742 1.00 0.00 C ATOM 1289 NH1 ARG A 88 10.168 1.874 5.555 1.00 0.00 N ATOM 1290 NH2 ARG A 88 12.087 3.094 5.247 1.00 0.00 N ATOM 0 H ARG A 88 5.835 4.743 4.532 1.00 0.00 H new ATOM 0 HA ARG A 88 5.868 2.477 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.069 3.046 4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.665 1.404 4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.960 2.295 1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.836 3.606 2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.520 0.785 3.355 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.061 1.358 1.790 1.00 0.00 H new ATOM 0 HE ARG A 88 11.574 2.825 2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.366 1.375 5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.296 1.932 6.565 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.764 3.535 4.624 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.212 3.150 6.258 1.00 0.00 H new ATOM 1304 N ALA A 89 4.709 1.126 4.483 1.00 0.00 N ATOM 1305 CA ALA A 89 3.829 0.464 5.438 1.00 0.00 C ATOM 1306 C ALA A 89 3.679 -1.017 5.110 1.00 0.00 C ATOM 1307 O ALA A 89 3.504 -1.391 3.951 1.00 0.00 O ATOM 1308 CB ALA A 89 2.468 1.143 5.459 1.00 0.00 C ATOM 0 H ALA A 89 4.822 0.629 3.599 1.00 0.00 H new ATOM 0 HA ALA A 89 4.279 0.546 6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.821 0.639 6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.587 2.187 5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.020 1.091 4.467 1.00 0.00 H new ATOM 1314 N GLN A 90 3.750 -1.856 6.139 1.00 0.00 N ATOM 1315 CA GLN A 90 3.623 -3.298 5.958 1.00 0.00 C ATOM 1316 C GLN A 90 2.170 -3.739 6.108 1.00 0.00 C ATOM 1317 O GLN A 90 1.430 -3.206 6.936 1.00 0.00 O ATOM 1318 CB GLN A 90 4.500 -4.039 6.969 1.00 0.00 C ATOM 1319 CG GLN A 90 5.990 -3.834 6.747 1.00 0.00 C ATOM 1320 CD GLN A 90 6.814 -4.166 7.975 1.00 0.00 C ATOM 1321 OE1 GLN A 90 6.271 -4.458 9.041 1.00 0.00 O ATOM 1322 NE2 GLN A 90 8.133 -4.123 7.832 1.00 0.00 N ATOM 0 H GLN A 90 3.895 -1.563 7.105 1.00 0.00 H new ATOM 0 HA GLN A 90 3.956 -3.544 4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.242 -3.706 7.974 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.277 -5.105 6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.318 -4.456 5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.172 -2.798 6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.540 -3.876 6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.739 -4.337 8.624 1.00 0.00 H new ATOM 1331 N LEU A 91 1.768 -4.715 5.301 1.00 0.00 N ATOM 1332 CA LEU A 91 0.403 -5.229 5.343 1.00 0.00 C ATOM 1333 C LEU A 91 0.382 -6.680 5.811 1.00 0.00 C ATOM 1334 O LEU A 91 1.280 -7.460 5.492 1.00 0.00 O ATOM 1335 CB LEU A 91 -0.247 -5.116 3.963 1.00 0.00 C ATOM 1336 CG LEU A 91 -1.646 -5.720 3.830 1.00 0.00 C ATOM 1337 CD1 LEU A 91 -2.655 -4.910 4.628 1.00 0.00 C ATOM 1338 CD2 LEU A 91 -2.057 -5.795 2.366 1.00 0.00 C ATOM 0 H LEU A 91 2.367 -5.166 4.610 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.164 -4.629 6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.301 -4.061 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.406 -5.598 3.235 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.624 -6.732 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.644 -5.355 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.370 -4.908 5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.675 -3.886 4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.055 -6.227 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.062 -4.793 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.349 -6.419 1.821 1.00 0.00 H new ATOM 1350 N LEU A 92 -0.650 -7.037 6.569 1.00 0.00 N ATOM 1351 CA LEU A 92 -0.790 -8.396 7.080 1.00 0.00 C ATOM 1352 C LEU A 92 -2.126 -9.001 6.659 1.00 0.00 C ATOM 1353 O LEU A 92 -3.186 -8.559 7.101 1.00 0.00 O ATOM 1354 CB LEU A 92 -0.673 -8.403 8.605 1.00 0.00 C ATOM 1355 CG LEU A 92 -0.960 -9.737 9.294 1.00 0.00 C ATOM 1356 CD1 LEU A 92 0.101 -10.765 8.932 1.00 0.00 C ATOM 1357 CD2 LEU A 92 -1.034 -9.554 10.803 1.00 0.00 C ATOM 0 H LEU A 92 -1.402 -6.404 6.843 1.00 0.00 H new ATOM 0 HA LEU A 92 0.012 -9.001 6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.335 -8.088 8.873 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.358 -7.655 9.005 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.925 -10.103 8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.120 -11.708 9.432 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.105 -10.919 7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.079 -10.406 9.251 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.239 -10.514 11.276 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.084 -9.164 11.169 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.832 -8.852 11.046 1.00 0.00 H new ATOM 1369 N VAL A 93 -2.066 -10.015 5.801 1.00 0.00 N ATOM 1370 CA VAL A 93 -3.270 -10.683 5.323 1.00 0.00 C ATOM 1371 C VAL A 93 -3.571 -11.931 6.146 1.00 0.00 C ATOM 1372 O VAL A 93 -3.103 -13.023 5.827 1.00 0.00 O ATOM 1373 CB VAL A 93 -3.140 -11.079 3.840 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -4.207 -12.096 3.463 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -3.228 -9.848 2.951 1.00 0.00 C ATOM 0 H VAL A 93 -1.196 -10.391 5.423 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.090 -9.973 5.432 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.164 -11.540 3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.099 -12.364 2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.093 -12.988 4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.195 -11.665 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.134 -10.146 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.189 -9.357 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.424 -9.158 3.205 1.00 0.00 H new ATOM 1385 N GLN A 94 -4.353 -11.759 7.206 1.00 0.00 N ATOM 1386 CA GLN A 94 -4.716 -12.872 8.076 1.00 0.00 C ATOM 1387 C GLN A 94 -5.497 -13.932 7.306 1.00 0.00 C ATOM 1388 O GLN A 94 -5.909 -13.710 6.168 1.00 0.00 O ATOM 1389 CB GLN A 94 -5.544 -12.372 9.261 1.00 0.00 C ATOM 1390 CG GLN A 94 -4.758 -11.500 10.227 1.00 0.00 C ATOM 1391 CD GLN A 94 -4.027 -12.308 11.280 1.00 0.00 C ATOM 1392 OE1 GLN A 94 -3.882 -13.525 11.156 1.00 0.00 O ATOM 1393 NE2 GLN A 94 -3.560 -11.635 12.325 1.00 0.00 N ATOM 0 H GLN A 94 -4.748 -10.860 7.484 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.797 -13.323 8.449 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.396 -11.806 8.885 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.944 -13.230 9.802 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.038 -10.903 9.668 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.438 -10.803 10.717 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.703 -10.627 12.388 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -3.059 -12.126 13.065 1.00 0.00 H new