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 0:sc=-0.00147 USER MOD Set 1.2: A 80 CYS SG : rot 105:sc= 1.51 USER MOD Set 2.1: A 25 THR OG1 : rot -29:sc= 0.645 USER MOD Set 2.2: A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.903 K(o=-0.9,f=-11!) USER MOD Single : A 10 CYS SG : rot 180:sc= -1.21 USER MOD Single : A 12 THR OG1 : rot -150:sc= -0.641 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.376 K(o=-0.38,f=0.39) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 118:sc= 0.237 USER MOD Single : A 34 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.19) 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 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0122) USER MOD Single : A 54 HIS : no HD1:sc= -6.92! C(o=-6.9!,f=-5.8!) USER MOD Single : A 55 GLN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.127 USER MOD Single : A 58 GLN : amide:sc= 0.498 K(o=0.5,f=-0.62) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00518 USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0609) USER MOD Single : A 75 SER OG : rot 105:sc= -0.412 USER MOD Single : A 77 THR OG1 : rot 150:sc= 0 USER MOD Single : A 78 TYR OH : rot -32:sc= 1.03 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.138 K(o=-0.14,f=-2.4!) USER MOD Single : A 86 GLN : amide:sc= -3.53! C(o=-3.5!,f=-3.4!) USER MOD Single : A 87 SER OG : rot 110:sc= -0.388 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 76 N ASN A 9 8.431 18.915 -0.942 1.00 0.00 N ATOM 77 CA ASN A 9 7.293 18.365 -0.213 1.00 0.00 C ATOM 78 C ASN A 9 7.748 17.306 0.786 1.00 0.00 C ATOM 79 O ASN A 9 8.896 16.862 0.757 1.00 0.00 O ATOM 80 CB ASN A 9 6.281 17.760 -1.188 1.00 0.00 C ATOM 81 CG ASN A 9 4.888 17.672 -0.594 1.00 0.00 C ATOM 82 OD1 ASN A 9 4.657 18.091 0.540 1.00 0.00 O ATOM 83 ND2 ASN A 9 3.952 17.123 -1.360 1.00 0.00 N ATOM 0 HA ASN A 9 6.818 19.178 0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.249 18.363 -2.095 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.612 16.763 -1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.997 17.035 -1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.189 16.789 -2.294 1.00 0.00 H new ATOM 90 N CYS A 10 6.840 16.905 1.669 1.00 0.00 N ATOM 91 CA CYS A 10 7.147 15.898 2.679 1.00 0.00 C ATOM 92 C CYS A 10 5.869 15.287 3.243 1.00 0.00 C ATOM 93 O CYS A 10 4.786 15.856 3.113 1.00 0.00 O ATOM 94 CB CYS A 10 7.975 16.514 3.808 1.00 0.00 C ATOM 95 SG CYS A 10 7.147 17.866 4.677 1.00 0.00 S ATOM 0 H CYS A 10 5.885 17.262 1.706 1.00 0.00 H new ATOM 0 HA CYS A 10 7.727 15.107 2.204 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.226 15.734 4.527 1.00 0.00 H new ATOM 0 HB3 CYS A 10 8.914 16.883 3.396 1.00 0.00 H new ATOM 0 HG CYS A 10 7.925 18.320 5.614 1.00 0.00 H new ATOM 101 N PHE A 11 6.003 14.122 3.870 1.00 0.00 N ATOM 102 CA PHE A 11 4.859 13.431 4.452 1.00 0.00 C ATOM 103 C PHE A 11 4.701 13.789 5.927 1.00 0.00 C ATOM 104 O PHE A 11 5.543 13.443 6.756 1.00 0.00 O ATOM 105 CB PHE A 11 5.017 11.917 4.297 1.00 0.00 C ATOM 106 CG PHE A 11 4.777 11.430 2.897 1.00 0.00 C ATOM 107 CD1 PHE A 11 5.751 11.576 1.922 1.00 0.00 C ATOM 108 CD2 PHE A 11 3.578 10.826 2.555 1.00 0.00 C ATOM 109 CE1 PHE A 11 5.534 11.128 0.633 1.00 0.00 C ATOM 110 CE2 PHE A 11 3.355 10.376 1.268 1.00 0.00 C ATOM 111 CZ PHE A 11 4.334 10.528 0.305 1.00 0.00 C ATOM 0 H PHE A 11 6.893 13.637 3.988 1.00 0.00 H new ATOM 0 HA PHE A 11 3.963 13.752 3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.023 11.631 4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.322 11.416 4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.691 12.045 2.173 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.809 10.706 3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.302 11.247 -0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.416 9.906 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.161 10.178 -0.702 1.00 0.00 H new ATOM 121 N THR A 12 3.615 14.486 6.248 1.00 0.00 N ATOM 122 CA THR A 12 3.346 14.893 7.621 1.00 0.00 C ATOM 123 C THR A 12 2.895 13.708 8.468 1.00 0.00 C ATOM 124 O THR A 12 3.210 13.626 9.654 1.00 0.00 O ATOM 125 CB THR A 12 2.267 15.991 7.681 1.00 0.00 C ATOM 126 OG1 THR A 12 1.015 15.474 7.216 1.00 0.00 O ATOM 127 CG2 THR A 12 2.670 17.191 6.838 1.00 0.00 C ATOM 0 H THR A 12 2.907 14.780 5.575 1.00 0.00 H new ATOM 0 HA THR A 12 4.280 15.288 8.021 1.00 0.00 H new ATOM 0 HB THR A 12 2.164 16.312 8.717 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.494 16.197 6.809 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.893 17.953 6.895 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.608 17.600 7.212 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.798 16.881 5.801 1.00 0.00 H new ATOM 135 N GLU A 13 2.157 12.791 7.849 1.00 0.00 N ATOM 136 CA GLU A 13 1.664 11.610 8.548 1.00 0.00 C ATOM 137 C GLU A 13 1.968 10.342 7.755 1.00 0.00 C ATOM 138 O GLU A 13 1.279 10.024 6.786 1.00 0.00 O ATOM 139 CB GLU A 13 0.157 11.725 8.789 1.00 0.00 C ATOM 140 CG GLU A 13 -0.199 12.380 10.113 1.00 0.00 C ATOM 141 CD GLU A 13 -1.689 12.616 10.264 1.00 0.00 C ATOM 142 OE1 GLU A 13 -2.475 11.832 9.691 1.00 0.00 O ATOM 143 OE2 GLU A 13 -2.070 13.584 10.955 1.00 0.00 O ATOM 0 H GLU A 13 1.888 12.843 6.867 1.00 0.00 H new ATOM 0 HA GLU A 13 2.175 11.548 9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.289 12.299 7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.285 10.729 8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.150 11.750 10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.326 13.331 10.196 1.00 0.00 H new ATOM 150 N GLU A 14 3.005 9.623 8.174 1.00 0.00 N ATOM 151 CA GLU A 14 3.401 8.391 7.502 1.00 0.00 C ATOM 152 C GLU A 14 2.313 7.329 7.629 1.00 0.00 C ATOM 153 O GLU A 14 1.505 7.359 8.558 1.00 0.00 O ATOM 154 CB GLU A 14 4.714 7.865 8.086 1.00 0.00 C ATOM 155 CG GLU A 14 5.944 8.597 7.575 1.00 0.00 C ATOM 156 CD GLU A 14 7.191 8.266 8.371 1.00 0.00 C ATOM 157 OE1 GLU A 14 7.193 7.233 9.071 1.00 0.00 O ATOM 158 OE2 GLU A 14 8.167 9.042 8.292 1.00 0.00 O ATOM 0 H GLU A 14 3.585 9.872 8.975 1.00 0.00 H new ATOM 0 HA GLU A 14 3.546 8.614 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.678 7.948 9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.808 6.805 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.107 8.340 6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.766 9.672 7.616 1.00 0.00 H new ATOM 165 N LEU A 15 2.298 6.391 6.688 1.00 0.00 N ATOM 166 CA LEU A 15 1.310 5.318 6.692 1.00 0.00 C ATOM 167 C LEU A 15 1.359 4.538 8.002 1.00 0.00 C ATOM 168 O LEU A 15 2.183 4.817 8.874 1.00 0.00 O ATOM 169 CB LEU A 15 1.549 4.373 5.514 1.00 0.00 C ATOM 170 CG LEU A 15 1.215 4.929 4.129 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.107 4.299 3.071 1.00 0.00 C ATOM 172 CD2 LEU A 15 -0.253 4.695 3.800 1.00 0.00 C ATOM 0 H LEU A 15 2.959 6.352 5.912 1.00 0.00 H new ATOM 0 HA LEU A 15 0.322 5.767 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.597 4.074 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.959 3.470 5.673 1.00 0.00 H new ATOM 0 HG LEU A 15 1.399 6.003 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.855 4.707 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.150 4.518 3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.956 3.219 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.473 5.097 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.462 3.625 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.876 5.195 4.542 1.00 0.00 H new ATOM 184 N THR A 16 0.472 3.556 8.134 1.00 0.00 N ATOM 185 CA THR A 16 0.415 2.735 9.337 1.00 0.00 C ATOM 186 C THR A 16 0.192 1.267 8.990 1.00 0.00 C ATOM 187 O THR A 16 -0.594 0.942 8.101 1.00 0.00 O ATOM 188 CB THR A 16 -0.707 3.202 10.283 1.00 0.00 C ATOM 189 OG1 THR A 16 -0.742 2.372 11.450 1.00 0.00 O ATOM 190 CG2 THR A 16 -2.058 3.160 9.584 1.00 0.00 C ATOM 0 H THR A 16 -0.216 3.310 7.423 1.00 0.00 H new ATOM 0 HA THR A 16 1.375 2.846 9.841 1.00 0.00 H new ATOM 0 HB THR A 16 -0.499 4.231 10.576 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.457 2.677 12.047 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.834 3.494 10.272 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.038 3.816 8.714 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.271 2.140 9.265 1.00 0.00 H new ATOM 198 N ASN A 17 0.890 0.384 9.698 1.00 0.00 N ATOM 199 CA ASN A 17 0.768 -1.050 9.464 1.00 0.00 C ATOM 200 C ASN A 17 -0.689 -1.493 9.551 1.00 0.00 C ATOM 201 O ASN A 17 -1.354 -1.282 10.566 1.00 0.00 O ATOM 202 CB ASN A 17 1.611 -1.826 10.478 1.00 0.00 C ATOM 203 CG ASN A 17 1.688 -1.127 11.821 1.00 0.00 C ATOM 204 OD1 ASN A 17 0.671 -0.905 12.478 1.00 0.00 O ATOM 205 ND2 ASN A 17 2.900 -0.775 12.236 1.00 0.00 N ATOM 0 H ASN A 17 1.545 0.637 10.438 1.00 0.00 H new ATOM 0 HA ASN A 17 1.134 -1.262 8.459 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.187 -2.821 10.613 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.618 -1.960 10.083 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.015 -0.301 13.132 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.716 -0.979 11.659 1.00 0.00 H new ATOM 212 N LEU A 18 -1.179 -2.110 8.481 1.00 0.00 N ATOM 213 CA LEU A 18 -2.557 -2.585 8.436 1.00 0.00 C ATOM 214 C LEU A 18 -2.622 -4.092 8.659 1.00 0.00 C ATOM 215 O LEU A 18 -1.704 -4.823 8.288 1.00 0.00 O ATOM 216 CB LEU A 18 -3.196 -2.229 7.092 1.00 0.00 C ATOM 217 CG LEU A 18 -3.280 -0.738 6.763 1.00 0.00 C ATOM 218 CD1 LEU A 18 -3.805 -0.532 5.350 1.00 0.00 C ATOM 219 CD2 LEU A 18 -4.162 -0.018 7.772 1.00 0.00 C ATOM 0 H LEU A 18 -0.642 -2.293 7.633 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.110 -2.094 9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.632 -2.724 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.204 -2.643 7.071 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.277 -0.316 6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.858 0.535 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.134 -1.014 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.800 -0.970 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.210 1.042 7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.165 -0.443 7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.743 -0.137 8.771 1.00 0.00 H new ATOM 231 N GLN A 19 -3.713 -4.550 9.265 1.00 0.00 N ATOM 232 CA GLN A 19 -3.897 -5.970 9.536 1.00 0.00 C ATOM 233 C GLN A 19 -5.331 -6.399 9.244 1.00 0.00 C ATOM 234 O GLN A 19 -6.262 -6.012 9.951 1.00 0.00 O ATOM 235 CB GLN A 19 -3.544 -6.284 10.991 1.00 0.00 C ATOM 236 CG GLN A 19 -2.083 -6.648 11.198 1.00 0.00 C ATOM 237 CD GLN A 19 -1.578 -6.273 12.577 1.00 0.00 C ATOM 238 OE1 GLN A 19 -1.994 -6.851 13.582 1.00 0.00 O ATOM 239 NE2 GLN A 19 -0.676 -5.300 12.634 1.00 0.00 N ATOM 0 H GLN A 19 -4.482 -3.958 9.577 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.230 -6.528 8.880 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.785 -5.419 11.609 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.168 -7.108 11.338 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.955 -7.720 11.047 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.477 -6.145 10.444 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.359 -4.848 11.777 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.300 -5.005 13.535 1.00 0.00 H new ATOM 248 N VAL A 20 -5.503 -7.200 8.197 1.00 0.00 N ATOM 249 CA VAL A 20 -6.824 -7.682 7.812 1.00 0.00 C ATOM 250 C VAL A 20 -6.732 -9.027 7.100 1.00 0.00 C ATOM 251 O VAL A 20 -5.724 -9.337 6.467 1.00 0.00 O ATOM 252 CB VAL A 20 -7.543 -6.675 6.894 1.00 0.00 C ATOM 253 CG1 VAL A 20 -9.038 -6.952 6.866 1.00 0.00 C ATOM 254 CG2 VAL A 20 -7.264 -5.250 7.346 1.00 0.00 C ATOM 0 H VAL A 20 -4.744 -7.529 7.600 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.399 -7.799 8.731 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.157 -6.792 5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.529 -6.231 6.213 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.214 -7.960 6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.443 -6.863 7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.779 -4.552 6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.621 -5.116 8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.191 -5.060 7.309 1.00 0.00 H new ATOM 264 N GLU A 21 -7.793 -9.821 7.208 1.00 0.00 N ATOM 265 CA GLU A 21 -7.832 -11.134 6.574 1.00 0.00 C ATOM 266 C GLU A 21 -7.834 -11.004 5.054 1.00 0.00 C ATOM 267 O GLU A 21 -8.194 -9.960 4.511 1.00 0.00 O ATOM 268 CB GLU A 21 -9.068 -11.910 7.033 1.00 0.00 C ATOM 269 CG GLU A 21 -9.118 -12.144 8.533 1.00 0.00 C ATOM 270 CD GLU A 21 -10.530 -12.351 9.045 1.00 0.00 C ATOM 271 OE1 GLU A 21 -11.366 -12.880 8.283 1.00 0.00 O ATOM 272 OE2 GLU A 21 -10.799 -11.983 10.208 1.00 0.00 O ATOM 0 H GLU A 21 -8.636 -9.578 7.728 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.938 -11.681 6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.962 -11.366 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.092 -12.873 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.514 -13.017 8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.671 -11.292 9.045 1.00 0.00 H new ATOM 279 N GLU A 22 -7.429 -12.072 4.374 1.00 0.00 N ATOM 280 CA GLU A 22 -7.383 -12.076 2.916 1.00 0.00 C ATOM 281 C GLU A 22 -8.778 -11.887 2.328 1.00 0.00 C ATOM 282 O GLU A 22 -9.784 -12.137 2.991 1.00 0.00 O ATOM 283 CB GLU A 22 -6.776 -13.386 2.407 1.00 0.00 C ATOM 284 CG GLU A 22 -7.733 -14.564 2.468 1.00 0.00 C ATOM 285 CD GLU A 22 -7.069 -15.875 2.094 1.00 0.00 C ATOM 286 OE1 GLU A 22 -6.365 -16.449 2.951 1.00 0.00 O ATOM 287 OE2 GLU A 22 -7.253 -16.326 0.944 1.00 0.00 O ATOM 0 H GLU A 22 -7.128 -12.945 4.808 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.756 -11.244 2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.448 -13.248 1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.889 -13.619 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.143 -14.643 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.572 -14.381 1.796 1.00 0.00 H new ATOM 294 N LYS A 23 -8.830 -11.442 1.077 1.00 0.00 N ATOM 295 CA LYS A 23 -10.100 -11.218 0.396 1.00 0.00 C ATOM 296 C LYS A 23 -10.925 -10.157 1.118 1.00 0.00 C ATOM 297 O LYS A 23 -12.154 -10.203 1.113 1.00 0.00 O ATOM 298 CB LYS A 23 -10.893 -12.524 0.310 1.00 0.00 C ATOM 299 CG LYS A 23 -10.278 -13.548 -0.629 1.00 0.00 C ATOM 300 CD LYS A 23 -10.604 -13.240 -2.081 1.00 0.00 C ATOM 301 CE LYS A 23 -12.035 -13.625 -2.424 1.00 0.00 C ATOM 302 NZ LYS A 23 -12.395 -13.237 -3.816 1.00 0.00 N ATOM 0 H LYS A 23 -8.007 -11.229 0.514 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.886 -10.863 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.971 -12.958 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.907 -12.302 -0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.197 -13.564 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.646 -14.542 -0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.457 -12.177 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.915 -13.778 -2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.161 -14.701 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.718 -13.144 -1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.378 -13.516 -4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.300 -12.207 -3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.759 -13.716 -4.485 1.00 0.00 H new ATOM 316 N GLY A 24 -10.239 -9.200 1.737 1.00 0.00 N ATOM 317 CA GLY A 24 -10.925 -8.141 2.453 1.00 0.00 C ATOM 318 C GLY A 24 -10.827 -6.804 1.744 1.00 0.00 C ATOM 319 O GLY A 24 -11.220 -6.677 0.584 1.00 0.00 O ATOM 0 H GLY A 24 -9.221 -9.140 1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.975 -8.409 2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.502 -8.050 3.454 1.00 0.00 H new ATOM 323 N THR A 25 -10.302 -5.803 2.443 1.00 0.00 N ATOM 324 CA THR A 25 -10.156 -4.468 1.876 1.00 0.00 C ATOM 325 C THR A 25 -9.217 -3.613 2.717 1.00 0.00 C ATOM 326 O THR A 25 -9.544 -3.237 3.842 1.00 0.00 O ATOM 327 CB THR A 25 -11.517 -3.755 1.760 1.00 0.00 C ATOM 328 OG1 THR A 25 -12.458 -4.601 1.089 1.00 0.00 O ATOM 329 CG2 THR A 25 -11.377 -2.443 1.004 1.00 0.00 C ATOM 0 H THR A 25 -9.971 -5.891 3.404 1.00 0.00 H new ATOM 0 HA THR A 25 -9.733 -4.593 0.879 1.00 0.00 H new ATOM 0 HB THR A 25 -11.877 -3.540 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.982 -5.196 0.473 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.350 -1.957 0.935 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.683 -1.790 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.997 -2.640 0.001 1.00 0.00 H new ATOM 337 N ALA A 26 -8.047 -3.307 2.164 1.00 0.00 N ATOM 338 CA ALA A 26 -7.061 -2.493 2.864 1.00 0.00 C ATOM 339 C ALA A 26 -6.919 -1.122 2.211 1.00 0.00 C ATOM 340 O ALA A 26 -6.633 -1.018 1.018 1.00 0.00 O ATOM 341 CB ALA A 26 -5.717 -3.205 2.898 1.00 0.00 C ATOM 0 H ALA A 26 -7.759 -3.611 1.234 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.407 -2.346 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.990 -2.586 3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.823 -4.158 3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.373 -3.382 1.879 1.00 0.00 H new ATOM 347 N VAL A 27 -7.121 -0.072 3.000 1.00 0.00 N ATOM 348 CA VAL A 27 -7.014 1.293 2.499 1.00 0.00 C ATOM 349 C VAL A 27 -5.859 2.034 3.163 1.00 0.00 C ATOM 350 O VAL A 27 -5.989 2.537 4.279 1.00 0.00 O ATOM 351 CB VAL A 27 -8.317 2.081 2.734 1.00 0.00 C ATOM 352 CG1 VAL A 27 -8.153 3.528 2.295 1.00 0.00 C ATOM 353 CG2 VAL A 27 -9.477 1.421 2.004 1.00 0.00 C ATOM 0 H VAL A 27 -7.360 -0.140 3.989 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.828 1.223 1.427 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.538 2.074 3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.083 4.069 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.351 3.993 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.907 3.561 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.389 1.990 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.267 1.395 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.607 0.404 2.373 1.00 0.00 H new ATOM 363 N PHE A 28 -4.727 2.098 2.468 1.00 0.00 N ATOM 364 CA PHE A 28 -3.547 2.777 2.990 1.00 0.00 C ATOM 365 C PHE A 28 -3.768 4.286 3.045 1.00 0.00 C ATOM 366 O PHE A 28 -3.683 4.975 2.028 1.00 0.00 O ATOM 367 CB PHE A 28 -2.326 2.460 2.125 1.00 0.00 C ATOM 368 CG PHE A 28 -1.652 1.167 2.489 1.00 0.00 C ATOM 369 CD1 PHE A 28 -1.178 0.956 3.773 1.00 0.00 C ATOM 370 CD2 PHE A 28 -1.493 0.164 1.546 1.00 0.00 C ATOM 371 CE1 PHE A 28 -0.558 -0.232 4.112 1.00 0.00 C ATOM 372 CE2 PHE A 28 -0.875 -1.026 1.879 1.00 0.00 C ATOM 373 CZ PHE A 28 -0.406 -1.224 3.163 1.00 0.00 C ATOM 0 H PHE A 28 -4.603 1.688 1.542 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.369 2.416 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.632 2.419 1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.606 3.274 2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.294 1.729 4.518 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.856 0.314 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.193 -0.384 5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.759 -1.801 1.136 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.079 -2.153 3.425 1.00 0.00 H new ATOM 383 N THR A 29 -4.052 4.793 4.240 1.00 0.00 N ATOM 384 CA THR A 29 -4.287 6.219 4.429 1.00 0.00 C ATOM 385 C THR A 29 -3.006 6.938 4.838 1.00 0.00 C ATOM 386 O THR A 29 -2.281 6.478 5.721 1.00 0.00 O ATOM 387 CB THR A 29 -5.369 6.474 5.495 1.00 0.00 C ATOM 388 OG1 THR A 29 -5.351 5.427 6.472 1.00 0.00 O ATOM 389 CG2 THR A 29 -6.748 6.556 4.858 1.00 0.00 C ATOM 0 H THR A 29 -4.125 4.237 5.092 1.00 0.00 H new ATOM 0 HA THR A 29 -4.631 6.612 3.472 1.00 0.00 H new ATOM 0 HB THR A 29 -5.153 7.426 5.979 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.041 5.598 7.147 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.495 6.737 5.631 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.767 7.373 4.136 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.971 5.618 4.350 1.00 0.00 H new ATOM 397 N CYS A 30 -2.735 8.067 4.193 1.00 0.00 N ATOM 398 CA CYS A 30 -1.541 8.849 4.491 1.00 0.00 C ATOM 399 C CYS A 30 -1.826 10.343 4.374 1.00 0.00 C ATOM 400 O CYS A 30 -2.955 10.751 4.102 1.00 0.00 O ATOM 401 CB CYS A 30 -0.402 8.460 3.547 1.00 0.00 C ATOM 402 SG CYS A 30 -0.922 8.187 1.837 1.00 0.00 S ATOM 0 H CYS A 30 -3.326 8.461 3.461 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.243 8.633 5.517 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.354 9.245 3.565 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.072 7.552 3.921 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.202 8.387 1.736 1.00 0.00 H new ATOM 408 N LYS A 31 -0.796 11.155 4.584 1.00 0.00 N ATOM 409 CA LYS A 31 -0.934 12.604 4.503 1.00 0.00 C ATOM 410 C LYS A 31 0.317 13.238 3.903 1.00 0.00 C ATOM 411 O LYS A 31 1.368 12.601 3.816 1.00 0.00 O ATOM 412 CB LYS A 31 -1.200 13.190 5.891 1.00 0.00 C ATOM 413 CG LYS A 31 -2.065 14.439 5.869 1.00 0.00 C ATOM 414 CD LYS A 31 -2.209 15.042 7.256 1.00 0.00 C ATOM 415 CE LYS A 31 -2.956 16.366 7.213 1.00 0.00 C ATOM 416 NZ LYS A 31 -2.890 17.083 8.517 1.00 0.00 N ATOM 0 H LYS A 31 0.145 10.834 4.812 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.780 12.827 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.684 12.434 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.247 13.426 6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.626 15.175 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.051 14.193 5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.740 14.344 7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.222 15.194 7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.533 16.996 6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.998 16.186 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.411 17.980 8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.316 16.493 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.897 17.277 8.756 1.00 0.00 H new ATOM 430 N THR A 32 0.199 14.496 3.492 1.00 0.00 N ATOM 431 CA THR A 32 1.321 15.216 2.902 1.00 0.00 C ATOM 432 C THR A 32 1.266 16.699 3.249 1.00 0.00 C ATOM 433 O THR A 32 0.187 17.271 3.402 1.00 0.00 O ATOM 434 CB THR A 32 1.344 15.059 1.369 1.00 0.00 C ATOM 435 OG1 THR A 32 0.063 15.392 0.823 1.00 0.00 O ATOM 436 CG2 THR A 32 1.715 13.638 0.976 1.00 0.00 C ATOM 0 H THR A 32 -0.663 15.038 3.557 1.00 0.00 H new ATOM 0 HA THR A 32 2.230 14.782 3.319 1.00 0.00 H new ATOM 0 HB THR A 32 2.097 15.738 0.968 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.153 16.162 0.223 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.725 13.552 -0.111 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.704 13.398 1.368 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.983 12.944 1.389 1.00 0.00 H new ATOM 444 N GLU A 33 2.437 17.317 3.371 1.00 0.00 N ATOM 445 CA GLU A 33 2.520 18.735 3.700 1.00 0.00 C ATOM 446 C GLU A 33 1.884 19.587 2.605 1.00 0.00 C ATOM 447 O GLU A 33 1.190 20.564 2.887 1.00 0.00 O ATOM 448 CB GLU A 33 3.980 19.150 3.901 1.00 0.00 C ATOM 449 CG GLU A 33 4.155 20.625 4.220 1.00 0.00 C ATOM 450 CD GLU A 33 5.440 20.910 4.973 1.00 0.00 C ATOM 451 OE1 GLU A 33 5.780 20.124 5.882 1.00 0.00 O ATOM 452 OE2 GLU A 33 6.104 21.919 4.654 1.00 0.00 O ATOM 0 H GLU A 33 3.340 16.859 3.247 1.00 0.00 H new ATOM 0 HA GLU A 33 1.972 18.899 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.409 18.559 4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.544 18.913 2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.147 21.197 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.307 20.968 4.813 1.00 0.00 H new ATOM 459 N HIS A 34 2.127 19.209 1.354 1.00 0.00 N ATOM 460 CA HIS A 34 1.579 19.938 0.215 1.00 0.00 C ATOM 461 C HIS A 34 0.744 19.016 -0.668 1.00 0.00 C ATOM 462 O HIS A 34 1.018 17.822 -0.795 1.00 0.00 O ATOM 463 CB HIS A 34 2.705 20.567 -0.605 1.00 0.00 C ATOM 464 CG HIS A 34 3.576 21.494 0.185 1.00 0.00 C ATOM 465 ND1 HIS A 34 3.079 22.549 0.921 1.00 0.00 N ATOM 466 CD2 HIS A 34 4.919 21.520 0.353 1.00 0.00 C ATOM 467 CE1 HIS A 34 4.079 23.184 1.506 1.00 0.00 C ATOM 468 NE2 HIS A 34 5.206 22.579 1.178 1.00 0.00 N ATOM 0 H HIS A 34 2.699 18.403 1.103 1.00 0.00 H new ATOM 0 HA HIS A 34 0.934 20.729 0.597 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.322 19.774 -1.028 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.272 21.114 -1.442 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.632 20.835 -0.081 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.990 24.051 2.144 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.138 22.854 1.487 1.00 0.00 H new ATOM 477 N PRO A 35 -0.301 19.580 -1.292 1.00 0.00 N ATOM 478 CA PRO A 35 -1.197 18.826 -2.174 1.00 0.00 C ATOM 479 C PRO A 35 -0.518 18.412 -3.475 1.00 0.00 C ATOM 480 O PRO A 35 -0.587 19.124 -4.476 1.00 0.00 O ATOM 481 CB PRO A 35 -2.332 19.815 -2.455 1.00 0.00 C ATOM 482 CG PRO A 35 -1.718 21.159 -2.268 1.00 0.00 C ATOM 483 CD PRO A 35 -0.687 20.997 -1.186 1.00 0.00 C ATOM 0 HA PRO A 35 -1.528 17.893 -1.717 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.721 19.695 -3.466 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.168 19.663 -1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.261 21.511 -3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.470 21.895 -1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.165 21.658 -1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.096 21.230 -0.203 1.00 0.00 H new ATOM 491 N ALA A 36 0.138 17.257 -3.453 1.00 0.00 N ATOM 492 CA ALA A 36 0.828 16.747 -4.631 1.00 0.00 C ATOM 493 C ALA A 36 -0.069 16.810 -5.863 1.00 0.00 C ATOM 494 O ALA A 36 -1.273 17.038 -5.754 1.00 0.00 O ATOM 495 CB ALA A 36 1.299 15.320 -4.391 1.00 0.00 C ATOM 0 H ALA A 36 0.206 16.656 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 36 1.697 17.379 -4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.813 14.952 -5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.983 15.300 -3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.440 14.684 -4.179 1.00 0.00 H new ATOM 501 N ALA A 37 0.526 16.608 -7.034 1.00 0.00 N ATOM 502 CA ALA A 37 -0.220 16.641 -8.285 1.00 0.00 C ATOM 503 C ALA A 37 -0.466 15.233 -8.815 1.00 0.00 C ATOM 504 O ALA A 37 -1.378 15.008 -9.611 1.00 0.00 O ATOM 505 CB ALA A 37 0.522 17.474 -9.320 1.00 0.00 C ATOM 0 H ALA A 37 1.523 16.420 -7.142 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.188 17.102 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.047 17.490 -10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.641 18.492 -8.950 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.504 17.037 -9.503 1.00 0.00 H new ATOM 511 N THR A 38 0.354 14.286 -8.370 1.00 0.00 N ATOM 512 CA THR A 38 0.227 12.900 -8.800 1.00 0.00 C ATOM 513 C THR A 38 0.824 11.947 -7.771 1.00 0.00 C ATOM 514 O THR A 38 1.781 12.288 -7.076 1.00 0.00 O ATOM 515 CB THR A 38 0.916 12.667 -10.158 1.00 0.00 C ATOM 516 OG1 THR A 38 0.641 11.342 -10.626 1.00 0.00 O ATOM 517 CG2 THR A 38 2.419 12.869 -10.043 1.00 0.00 C ATOM 0 H THR A 38 1.114 14.455 -7.711 1.00 0.00 H new ATOM 0 HA THR A 38 -0.839 12.699 -8.902 1.00 0.00 H new ATOM 0 HB THR A 38 0.522 13.392 -10.870 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.081 11.202 -11.490 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.884 12.699 -11.014 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.625 13.888 -9.715 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.826 12.165 -9.317 1.00 0.00 H new ATOM 525 N VAL A 39 0.252 10.750 -7.677 1.00 0.00 N ATOM 526 CA VAL A 39 0.730 9.747 -6.733 1.00 0.00 C ATOM 527 C VAL A 39 0.887 8.389 -7.407 1.00 0.00 C ATOM 528 O VAL A 39 -0.012 7.923 -8.109 1.00 0.00 O ATOM 529 CB VAL A 39 -0.226 9.605 -5.534 1.00 0.00 C ATOM 530 CG1 VAL A 39 0.303 8.574 -4.548 1.00 0.00 C ATOM 531 CG2 VAL A 39 -0.430 10.950 -4.853 1.00 0.00 C ATOM 0 H VAL A 39 -0.543 10.452 -8.243 1.00 0.00 H new ATOM 0 HA VAL A 39 1.702 10.086 -6.375 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.192 9.259 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.386 8.487 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.393 7.608 -5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.282 8.887 -4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.108 10.831 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.529 11.327 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.857 11.657 -5.564 1.00 0.00 H new ATOM 541 N THR A 40 2.036 7.756 -7.190 1.00 0.00 N ATOM 542 CA THR A 40 2.312 6.451 -7.777 1.00 0.00 C ATOM 543 C THR A 40 2.732 5.446 -6.710 1.00 0.00 C ATOM 544 O THR A 40 3.904 5.373 -6.340 1.00 0.00 O ATOM 545 CB THR A 40 3.416 6.538 -8.847 1.00 0.00 C ATOM 546 OG1 THR A 40 3.051 7.490 -9.852 1.00 0.00 O ATOM 547 CG2 THR A 40 3.656 5.180 -9.490 1.00 0.00 C ATOM 0 H THR A 40 2.790 8.126 -6.612 1.00 0.00 H new ATOM 0 HA THR A 40 1.388 6.114 -8.246 1.00 0.00 H new ATOM 0 HB THR A 40 4.337 6.859 -8.361 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.759 7.540 -10.527 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.440 5.267 -10.242 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.963 4.465 -8.727 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.737 4.834 -9.962 1.00 0.00 H new ATOM 555 N TRP A 41 1.769 4.673 -6.221 1.00 0.00 N ATOM 556 CA TRP A 41 2.040 3.671 -5.196 1.00 0.00 C ATOM 557 C TRP A 41 2.918 2.553 -5.747 1.00 0.00 C ATOM 558 O TRP A 41 3.183 2.494 -6.948 1.00 0.00 O ATOM 559 CB TRP A 41 0.730 3.092 -4.661 1.00 0.00 C ATOM 560 CG TRP A 41 -0.142 4.112 -3.993 1.00 0.00 C ATOM 561 CD1 TRP A 41 -0.799 5.148 -4.593 1.00 0.00 C ATOM 562 CD2 TRP A 41 -0.449 4.195 -2.597 1.00 0.00 C ATOM 563 NE1 TRP A 41 -1.496 5.869 -3.655 1.00 0.00 N ATOM 564 CE2 TRP A 41 -1.299 5.304 -2.422 1.00 0.00 C ATOM 565 CE3 TRP A 41 -0.091 3.438 -1.478 1.00 0.00 C ATOM 566 CZ2 TRP A 41 -1.793 5.674 -1.174 1.00 0.00 C ATOM 567 CZ3 TRP A 41 -0.582 3.807 -0.240 1.00 0.00 C ATOM 568 CH2 TRP A 41 -1.426 4.916 -0.096 1.00 0.00 C ATOM 0 H TRP A 41 0.794 4.721 -6.517 1.00 0.00 H new ATOM 0 HA TRP A 41 2.574 4.157 -4.379 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.179 2.637 -5.484 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.956 2.297 -3.951 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.774 5.368 -5.650 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.068 6.692 -3.845 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.558 2.580 -1.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.443 6.529 -1.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.310 3.230 0.632 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.794 5.178 0.885 1.00 0.00 H new ATOM 579 N ARG A 42 3.366 1.667 -4.863 1.00 0.00 N ATOM 580 CA ARG A 42 4.214 0.551 -5.262 1.00 0.00 C ATOM 581 C ARG A 42 4.103 -0.599 -4.265 1.00 0.00 C ATOM 582 O ARG A 42 4.298 -0.416 -3.064 1.00 0.00 O ATOM 583 CB ARG A 42 5.671 1.005 -5.374 1.00 0.00 C ATOM 584 CG ARG A 42 6.629 -0.112 -5.756 1.00 0.00 C ATOM 585 CD ARG A 42 8.069 0.258 -5.440 1.00 0.00 C ATOM 586 NE ARG A 42 8.456 1.527 -6.051 1.00 0.00 N ATOM 587 CZ ARG A 42 8.726 1.668 -7.344 1.00 0.00 C ATOM 588 NH1 ARG A 42 8.651 0.624 -8.158 1.00 0.00 N ATOM 589 NH2 ARG A 42 9.071 2.855 -7.825 1.00 0.00 N ATOM 0 H ARG A 42 3.155 1.701 -3.866 1.00 0.00 H new ATOM 0 HA ARG A 42 3.875 0.199 -6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.739 1.800 -6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.984 1.431 -4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.360 -1.023 -5.221 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.533 -0.328 -6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.198 0.322 -4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.732 -0.532 -5.794 1.00 0.00 H new ATOM 0 HE ARG A 42 8.523 2.350 -5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.385 -0.290 -7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.859 0.735 -9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.129 3.660 -7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.278 2.962 -8.818 1.00 0.00 H new ATOM 603 N LYS A 43 3.788 -1.786 -4.773 1.00 0.00 N ATOM 604 CA LYS A 43 3.652 -2.968 -3.929 1.00 0.00 C ATOM 605 C LYS A 43 4.985 -3.697 -3.794 1.00 0.00 C ATOM 606 O LYS A 43 5.375 -4.466 -4.671 1.00 0.00 O ATOM 607 CB LYS A 43 2.597 -3.914 -4.508 1.00 0.00 C ATOM 608 CG LYS A 43 2.479 -5.227 -3.754 1.00 0.00 C ATOM 609 CD LYS A 43 1.771 -6.285 -4.584 1.00 0.00 C ATOM 610 CE LYS A 43 1.833 -7.650 -3.917 1.00 0.00 C ATOM 611 NZ LYS A 43 0.984 -8.651 -4.621 1.00 0.00 N ATOM 0 H LYS A 43 3.622 -1.955 -5.765 1.00 0.00 H new ATOM 0 HA LYS A 43 3.335 -2.642 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.629 -3.413 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.841 -4.123 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.473 -5.582 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.932 -5.066 -2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.730 -5.997 -4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.228 -6.340 -5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.866 -7.999 -3.899 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.508 -7.563 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.054 -9.568 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.006 -8.331 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.310 -8.754 -5.603 1.00 0.00 H new ATOM 670 N GLU A 47 5.162 -1.535 -9.300 1.00 0.00 N ATOM 671 CA GLU A 47 4.417 -0.284 -9.386 1.00 0.00 C ATOM 672 C GLU A 47 2.918 -0.550 -9.492 1.00 0.00 C ATOM 673 O GLU A 47 2.483 -1.419 -10.249 1.00 0.00 O ATOM 674 CB GLU A 47 4.888 0.534 -10.589 1.00 0.00 C ATOM 675 CG GLU A 47 4.392 1.970 -10.581 1.00 0.00 C ATOM 676 CD GLU A 47 4.578 2.660 -11.918 1.00 0.00 C ATOM 677 OE1 GLU A 47 5.730 3.008 -12.252 1.00 0.00 O ATOM 678 OE2 GLU A 47 3.571 2.851 -12.631 1.00 0.00 O ATOM 0 HA GLU A 47 4.604 0.284 -8.475 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.978 0.535 -10.613 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.550 0.047 -11.504 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.335 1.984 -10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.923 2.529 -9.811 1.00 0.00 H new ATOM 685 N LEU A 48 2.134 0.203 -8.730 1.00 0.00 N ATOM 686 CA LEU A 48 0.683 0.050 -8.737 1.00 0.00 C ATOM 687 C LEU A 48 0.036 1.041 -9.699 1.00 0.00 C ATOM 688 O LEU A 48 0.566 2.127 -9.937 1.00 0.00 O ATOM 689 CB LEU A 48 0.123 0.249 -7.328 1.00 0.00 C ATOM 690 CG LEU A 48 0.623 -0.727 -6.262 1.00 0.00 C ATOM 691 CD1 LEU A 48 -0.023 -0.429 -4.919 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.347 -2.163 -6.682 1.00 0.00 C ATOM 0 H LEU A 48 2.478 0.926 -8.099 1.00 0.00 H new ATOM 0 HA LEU A 48 0.450 -0.960 -9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.361 1.262 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.963 0.177 -7.377 1.00 0.00 H new ATOM 0 HG LEU A 48 1.701 -0.600 -6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.345 -1.134 -4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.227 0.587 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.105 -0.526 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.709 -2.843 -5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.726 -2.303 -6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.859 -2.372 -7.621 1.00 0.00 H new ATOM 704 N ARG A 49 -1.114 0.662 -10.246 1.00 0.00 N ATOM 705 CA ARG A 49 -1.834 1.518 -11.181 1.00 0.00 C ATOM 706 C ARG A 49 -3.321 1.566 -10.839 1.00 0.00 C ATOM 707 O ARG A 49 -3.862 0.633 -10.246 1.00 0.00 O ATOM 708 CB ARG A 49 -1.646 1.016 -12.614 1.00 0.00 C ATOM 709 CG ARG A 49 -0.212 0.631 -12.941 1.00 0.00 C ATOM 710 CD ARG A 49 0.054 -0.835 -12.635 1.00 0.00 C ATOM 711 NE ARG A 49 -0.836 -1.720 -13.381 1.00 0.00 N ATOM 712 CZ ARG A 49 -0.764 -1.897 -14.696 1.00 0.00 C ATOM 713 NH1 ARG A 49 0.153 -1.254 -15.405 1.00 0.00 N ATOM 714 NH2 ARG A 49 -1.609 -2.720 -15.303 1.00 0.00 N ATOM 0 H ARG A 49 -1.567 -0.232 -10.058 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.427 2.526 -11.100 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.291 0.152 -12.775 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.972 1.791 -13.307 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.013 0.826 -13.995 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.473 1.254 -12.366 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.089 -1.074 -12.878 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.072 -1.011 -11.567 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.552 -2.230 -12.864 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.805 -0.622 -14.941 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.206 -1.392 -16.414 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.315 -3.218 -14.760 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.553 -2.855 -16.312 1.00 0.00 H new ATOM 728 N ALA A 50 -3.974 2.660 -11.217 1.00 0.00 N ATOM 729 CA ALA A 50 -5.397 2.830 -10.951 1.00 0.00 C ATOM 730 C ALA A 50 -6.215 1.728 -11.617 1.00 0.00 C ATOM 731 O ALA A 50 -6.411 1.736 -12.833 1.00 0.00 O ATOM 732 CB ALA A 50 -5.864 4.197 -11.428 1.00 0.00 C ATOM 0 H ALA A 50 -3.540 3.442 -11.708 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.551 2.761 -9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.929 4.310 -11.223 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.309 4.975 -10.903 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.690 4.287 -12.500 1.00 0.00 H new ATOM 738 N SER A 51 -6.688 0.781 -10.814 1.00 0.00 N ATOM 739 CA SER A 51 -7.481 -0.330 -11.327 1.00 0.00 C ATOM 740 C SER A 51 -8.317 -0.959 -10.216 1.00 0.00 C ATOM 741 O SER A 51 -8.037 -0.774 -9.033 1.00 0.00 O ATOM 742 CB SER A 51 -6.570 -1.387 -11.955 1.00 0.00 C ATOM 743 OG SER A 51 -7.278 -2.177 -12.895 1.00 0.00 O ATOM 0 H SER A 51 -6.536 0.761 -9.806 1.00 0.00 H new ATOM 0 HA SER A 51 -8.155 0.059 -12.090 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.727 -0.900 -12.446 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.158 -2.027 -11.175 1.00 0.00 H new ATOM 0 HG SER A 51 -6.674 -2.844 -13.283 1.00 0.00 H new ATOM 749 N GLY A 52 -9.347 -1.703 -10.609 1.00 0.00 N ATOM 750 CA GLY A 52 -10.210 -2.348 -9.636 1.00 0.00 C ATOM 751 C GLY A 52 -9.452 -2.813 -8.408 1.00 0.00 C ATOM 752 O GLY A 52 -9.987 -2.808 -7.299 1.00 0.00 O ATOM 0 H GLY A 52 -9.599 -1.870 -11.583 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.994 -1.654 -9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.702 -3.202 -10.101 1.00 0.00 H new ATOM 756 N LYS A 53 -8.202 -3.220 -8.604 1.00 0.00 N ATOM 757 CA LYS A 53 -7.369 -3.691 -7.505 1.00 0.00 C ATOM 758 C LYS A 53 -6.824 -2.520 -6.694 1.00 0.00 C ATOM 759 O LYS A 53 -7.107 -2.393 -5.502 1.00 0.00 O ATOM 760 CB LYS A 53 -6.211 -4.535 -8.042 1.00 0.00 C ATOM 761 CG LYS A 53 -5.482 -5.323 -6.966 1.00 0.00 C ATOM 762 CD LYS A 53 -6.315 -6.494 -6.472 1.00 0.00 C ATOM 763 CE LYS A 53 -5.624 -7.228 -5.333 1.00 0.00 C ATOM 764 NZ LYS A 53 -4.413 -7.960 -5.798 1.00 0.00 N ATOM 0 H LYS A 53 -7.744 -3.233 -9.515 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.987 -4.306 -6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.594 -5.228 -8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.500 -3.881 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.535 -5.690 -7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.245 -4.665 -6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.288 -6.134 -6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.497 -7.185 -7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.342 -6.514 -4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.321 -7.932 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.010 -8.502 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.674 -8.611 -6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.708 -7.279 -6.146 1.00 0.00 H new ATOM 778 N HIS A 54 -6.044 -1.665 -7.347 1.00 0.00 N ATOM 779 CA HIS A 54 -5.461 -0.503 -6.686 1.00 0.00 C ATOM 780 C HIS A 54 -6.084 0.788 -7.209 1.00 0.00 C ATOM 781 O HIS A 54 -5.722 1.272 -8.281 1.00 0.00 O ATOM 782 CB HIS A 54 -3.947 -0.474 -6.897 1.00 0.00 C ATOM 783 CG HIS A 54 -3.262 -1.743 -6.492 1.00 0.00 C ATOM 784 ND1 HIS A 54 -2.795 -2.669 -7.401 1.00 0.00 N ATOM 785 CD2 HIS A 54 -2.965 -2.237 -5.268 1.00 0.00 C ATOM 786 CE1 HIS A 54 -2.242 -3.678 -6.753 1.00 0.00 C ATOM 787 NE2 HIS A 54 -2.331 -3.440 -5.456 1.00 0.00 N ATOM 0 H HIS A 54 -5.801 -1.755 -8.334 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.669 -0.581 -5.619 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.739 -0.278 -7.949 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.525 0.355 -6.328 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.186 -1.771 -4.319 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.793 -4.550 -7.206 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.985 -4.050 -4.716 1.00 0.00 H new ATOM 796 N GLN A 55 -7.022 1.339 -6.446 1.00 0.00 N ATOM 797 CA GLN A 55 -7.696 2.573 -6.834 1.00 0.00 C ATOM 798 C GLN A 55 -7.362 3.703 -5.866 1.00 0.00 C ATOM 799 O GLN A 55 -8.035 3.906 -4.856 1.00 0.00 O ATOM 800 CB GLN A 55 -9.209 2.358 -6.885 1.00 0.00 C ATOM 801 CG GLN A 55 -9.719 1.935 -8.253 1.00 0.00 C ATOM 802 CD GLN A 55 -10.114 3.115 -9.119 1.00 0.00 C ATOM 803 OE1 GLN A 55 -11.298 3.413 -9.280 1.00 0.00 O ATOM 804 NE2 GLN A 55 -9.122 3.795 -9.683 1.00 0.00 N ATOM 0 H GLN A 55 -7.333 0.951 -5.555 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.343 2.854 -7.826 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.484 1.598 -6.153 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.709 3.281 -6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.947 1.358 -8.762 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.579 1.277 -8.128 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.155 3.513 -9.523 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.327 4.599 -10.276 1.00 0.00 H new ATOM 813 N PRO A 56 -6.298 4.457 -6.180 1.00 0.00 N ATOM 814 CA PRO A 56 -5.852 5.580 -5.350 1.00 0.00 C ATOM 815 C PRO A 56 -6.821 6.756 -5.395 1.00 0.00 C ATOM 816 O PRO A 56 -7.805 6.734 -6.136 1.00 0.00 O ATOM 817 CB PRO A 56 -4.509 5.970 -5.974 1.00 0.00 C ATOM 818 CG PRO A 56 -4.602 5.514 -7.389 1.00 0.00 C ATOM 819 CD PRO A 56 -5.450 4.272 -7.369 1.00 0.00 C ATOM 0 HA PRO A 56 -5.786 5.307 -4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.342 7.046 -5.915 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.678 5.490 -5.457 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.051 6.283 -8.018 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.613 5.305 -7.797 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.046 4.178 -8.277 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.841 3.371 -7.292 1.00 0.00 H new ATOM 827 N SER A 57 -6.538 7.782 -4.599 1.00 0.00 N ATOM 828 CA SER A 57 -7.387 8.966 -4.546 1.00 0.00 C ATOM 829 C SER A 57 -6.579 10.197 -4.149 1.00 0.00 C ATOM 830 O SER A 57 -5.405 10.093 -3.793 1.00 0.00 O ATOM 831 CB SER A 57 -8.534 8.753 -3.556 1.00 0.00 C ATOM 832 OG SER A 57 -9.251 7.568 -3.853 1.00 0.00 O ATOM 0 H SER A 57 -5.727 7.817 -3.982 1.00 0.00 H new ATOM 0 HA SER A 57 -7.801 9.131 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.138 8.697 -2.542 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.209 9.608 -3.588 1.00 0.00 H new ATOM 0 HG SER A 57 -9.977 7.454 -3.205 1.00 0.00 H new ATOM 838 N GLN A 58 -7.216 11.362 -4.213 1.00 0.00 N ATOM 839 CA GLN A 58 -6.556 12.613 -3.861 1.00 0.00 C ATOM 840 C GLN A 58 -7.543 13.591 -3.231 1.00 0.00 C ATOM 841 O GLN A 58 -8.399 14.150 -3.916 1.00 0.00 O ATOM 842 CB GLN A 58 -5.917 13.243 -5.099 1.00 0.00 C ATOM 843 CG GLN A 58 -5.361 14.637 -4.855 1.00 0.00 C ATOM 844 CD GLN A 58 -4.209 14.977 -5.780 1.00 0.00 C ATOM 845 OE1 GLN A 58 -4.350 14.946 -7.003 1.00 0.00 O ATOM 846 NE2 GLN A 58 -3.060 15.304 -5.200 1.00 0.00 N ATOM 0 H GLN A 58 -8.188 11.465 -4.505 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.777 12.390 -3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.113 12.597 -5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.659 13.291 -5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.157 15.370 -4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.026 14.714 -3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.988 15.317 -4.183 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.250 15.542 -5.772 1.00 0.00 H new ATOM 855 N GLU A 59 -7.417 13.791 -1.923 1.00 0.00 N ATOM 856 CA GLU A 59 -8.300 14.700 -1.201 1.00 0.00 C ATOM 857 C GLU A 59 -7.497 15.765 -0.460 1.00 0.00 C ATOM 858 O GLU A 59 -7.075 15.560 0.677 1.00 0.00 O ATOM 859 CB GLU A 59 -9.171 13.923 -0.212 1.00 0.00 C ATOM 860 CG GLU A 59 -10.286 13.131 -0.874 1.00 0.00 C ATOM 861 CD GLU A 59 -11.438 14.009 -1.324 1.00 0.00 C ATOM 862 OE1 GLU A 59 -11.983 14.749 -0.479 1.00 0.00 O ATOM 863 OE2 GLU A 59 -11.793 13.956 -2.520 1.00 0.00 O ATOM 0 H GLU A 59 -6.713 13.336 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.943 15.195 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.540 13.240 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.607 14.622 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.885 12.595 -1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.657 12.380 -0.176 1.00 0.00 H new ATOM 870 N GLY A 60 -7.288 16.903 -1.115 1.00 0.00 N ATOM 871 CA GLY A 60 -6.535 17.983 -0.505 1.00 0.00 C ATOM 872 C GLY A 60 -5.181 17.530 0.005 1.00 0.00 C ATOM 873 O GLY A 60 -4.324 17.112 -0.775 1.00 0.00 O ATOM 0 H GLY A 60 -7.627 17.096 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.397 18.782 -1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.110 18.401 0.321 1.00 0.00 H new ATOM 877 N LEU A 61 -4.987 17.614 1.316 1.00 0.00 N ATOM 878 CA LEU A 61 -3.726 17.211 1.930 1.00 0.00 C ATOM 879 C LEU A 61 -3.837 15.816 2.536 1.00 0.00 C ATOM 880 O LEU A 61 -3.163 15.497 3.516 1.00 0.00 O ATOM 881 CB LEU A 61 -3.316 18.217 3.007 1.00 0.00 C ATOM 882 CG LEU A 61 -2.909 19.604 2.511 1.00 0.00 C ATOM 883 CD1 LEU A 61 -2.872 20.595 3.664 1.00 0.00 C ATOM 884 CD2 LEU A 61 -1.557 19.545 1.813 1.00 0.00 C ATOM 0 H LEU A 61 -5.686 17.957 1.975 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.962 17.189 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.147 18.332 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.483 17.796 3.571 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.654 19.944 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.580 21.577 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.860 20.659 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.149 20.260 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.283 20.541 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.802 19.183 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.617 18.868 0.961 1.00 0.00 H new ATOM 896 N THR A 62 -4.691 14.986 1.946 1.00 0.00 N ATOM 897 CA THR A 62 -4.890 13.624 2.426 1.00 0.00 C ATOM 898 C THR A 62 -5.010 12.644 1.265 1.00 0.00 C ATOM 899 O THR A 62 -5.866 12.799 0.393 1.00 0.00 O ATOM 900 CB THR A 62 -6.150 13.518 3.306 1.00 0.00 C ATOM 901 OG1 THR A 62 -6.146 14.552 4.296 1.00 0.00 O ATOM 902 CG2 THR A 62 -6.222 12.158 3.985 1.00 0.00 C ATOM 0 H THR A 62 -5.257 15.233 1.134 1.00 0.00 H new ATOM 0 HA THR A 62 -4.015 13.368 3.024 1.00 0.00 H new ATOM 0 HB THR A 62 -7.024 13.634 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.951 14.478 4.850 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.120 12.106 4.601 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.256 11.375 3.228 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.342 12.018 4.613 1.00 0.00 H new ATOM 910 N LEU A 63 -4.148 11.633 1.260 1.00 0.00 N ATOM 911 CA LEU A 63 -4.157 10.625 0.205 1.00 0.00 C ATOM 912 C LEU A 63 -4.488 9.248 0.772 1.00 0.00 C ATOM 913 O LEU A 63 -4.228 8.968 1.942 1.00 0.00 O ATOM 914 CB LEU A 63 -2.802 10.586 -0.502 1.00 0.00 C ATOM 915 CG LEU A 63 -2.265 11.928 -0.999 1.00 0.00 C ATOM 916 CD1 LEU A 63 -0.744 11.918 -1.026 1.00 0.00 C ATOM 917 CD2 LEU A 63 -2.823 12.249 -2.378 1.00 0.00 C ATOM 0 H LEU A 63 -3.434 11.489 1.974 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.928 10.896 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.070 10.155 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.879 9.910 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.590 12.706 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.380 12.882 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.363 11.736 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.397 11.130 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.430 13.208 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.529 11.469 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.911 12.300 -2.327 1.00 0.00 H new ATOM 929 N ARG A 64 -5.062 8.391 -0.067 1.00 0.00 N ATOM 930 CA ARG A 64 -5.427 7.042 0.350 1.00 0.00 C ATOM 931 C ARG A 64 -5.563 6.119 -0.857 1.00 0.00 C ATOM 932 O ARG A 64 -5.962 6.549 -1.940 1.00 0.00 O ATOM 933 CB ARG A 64 -6.738 7.067 1.137 1.00 0.00 C ATOM 934 CG ARG A 64 -7.960 7.348 0.278 1.00 0.00 C ATOM 935 CD ARG A 64 -9.197 7.587 1.129 1.00 0.00 C ATOM 936 NE ARG A 64 -10.422 7.558 0.334 1.00 0.00 N ATOM 937 CZ ARG A 64 -11.038 6.437 -0.025 1.00 0.00 C ATOM 938 NH1 ARG A 64 -10.547 5.260 0.338 1.00 0.00 N ATOM 939 NH2 ARG A 64 -12.150 6.492 -0.748 1.00 0.00 N ATOM 0 H ARG A 64 -5.284 8.607 -1.039 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.633 6.659 0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.869 6.108 1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.670 7.826 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.773 8.221 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.136 6.507 -0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.253 6.827 1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.112 8.552 1.629 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.826 8.447 0.038 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.694 5.213 0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.023 4.401 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.532 7.395 -1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.622 5.631 -1.023 1.00 0.00 H new ATOM 953 N LEU A 65 -5.229 4.848 -0.664 1.00 0.00 N ATOM 954 CA LEU A 65 -5.313 3.862 -1.736 1.00 0.00 C ATOM 955 C LEU A 65 -6.122 2.647 -1.296 1.00 0.00 C ATOM 956 O LEU A 65 -5.707 1.897 -0.411 1.00 0.00 O ATOM 957 CB LEU A 65 -3.911 3.427 -2.167 1.00 0.00 C ATOM 958 CG LEU A 65 -3.836 2.178 -3.045 1.00 0.00 C ATOM 959 CD1 LEU A 65 -4.254 2.503 -4.471 1.00 0.00 C ATOM 960 CD2 LEU A 65 -2.433 1.591 -3.019 1.00 0.00 C ATOM 0 H LEU A 65 -4.897 4.475 0.226 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.819 4.325 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.445 4.253 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.315 3.253 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.526 1.435 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.194 1.602 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.278 2.876 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.589 3.264 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.399 0.703 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.723 2.329 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.171 1.320 -1.996 1.00 0.00 H new ATOM 972 N THR A 66 -7.280 2.455 -1.921 1.00 0.00 N ATOM 973 CA THR A 66 -8.147 1.330 -1.596 1.00 0.00 C ATOM 974 C THR A 66 -7.689 0.060 -2.303 1.00 0.00 C ATOM 975 O THR A 66 -7.451 0.063 -3.512 1.00 0.00 O ATOM 976 CB THR A 66 -9.610 1.619 -1.980 1.00 0.00 C ATOM 977 OG1 THR A 66 -10.020 2.879 -1.436 1.00 0.00 O ATOM 978 CG2 THR A 66 -10.531 0.519 -1.474 1.00 0.00 C ATOM 0 H THR A 66 -7.639 3.065 -2.656 1.00 0.00 H new ATOM 0 HA THR A 66 -8.084 1.184 -0.518 1.00 0.00 H new ATOM 0 HB THR A 66 -9.676 1.654 -3.067 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.951 3.056 -1.686 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.559 0.746 -1.758 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.235 -0.434 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.460 0.456 -0.388 1.00 0.00 H new ATOM 986 N ILE A 67 -7.569 -1.024 -1.544 1.00 0.00 N ATOM 987 CA ILE A 67 -7.141 -2.302 -2.101 1.00 0.00 C ATOM 988 C ILE A 67 -8.112 -3.417 -1.727 1.00 0.00 C ATOM 989 O ILE A 67 -8.201 -3.812 -0.564 1.00 0.00 O ATOM 990 CB ILE A 67 -5.729 -2.682 -1.617 1.00 0.00 C ATOM 991 CG1 ILE A 67 -4.813 -1.457 -1.634 1.00 0.00 C ATOM 992 CG2 ILE A 67 -5.154 -3.793 -2.483 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.554 -1.632 -0.814 1.00 0.00 C ATOM 0 H ILE A 67 -7.762 -1.043 -0.543 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.126 -2.185 -3.185 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.798 -3.046 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.537 -1.234 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.365 -0.596 -1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.156 -4.051 -2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.798 -4.671 -2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.096 -3.455 -3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.953 -0.725 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.820 -1.825 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.980 -2.473 -1.203 1.00 0.00 H new ATOM 1005 N SER A 68 -8.837 -3.921 -2.720 1.00 0.00 N ATOM 1006 CA SER A 68 -9.803 -4.990 -2.496 1.00 0.00 C ATOM 1007 C SER A 68 -9.281 -6.317 -3.038 1.00 0.00 C ATOM 1008 O SER A 68 -8.340 -6.349 -3.830 1.00 0.00 O ATOM 1009 CB SER A 68 -11.139 -4.646 -3.157 1.00 0.00 C ATOM 1010 OG SER A 68 -11.719 -3.495 -2.568 1.00 0.00 O ATOM 0 H SER A 68 -8.774 -3.606 -3.688 1.00 0.00 H new ATOM 0 HA SER A 68 -9.953 -5.091 -1.421 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.988 -4.476 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.823 -5.490 -3.063 1.00 0.00 H new ATOM 0 HG SER A 68 -12.571 -3.296 -3.010 1.00 0.00 H new ATOM 1016 N ALA A 69 -9.900 -7.410 -2.604 1.00 0.00 N ATOM 1017 CA ALA A 69 -9.500 -8.740 -3.047 1.00 0.00 C ATOM 1018 C ALA A 69 -8.074 -9.059 -2.610 1.00 0.00 C ATOM 1019 O ALA A 69 -7.271 -9.563 -3.396 1.00 0.00 O ATOM 1020 CB ALA A 69 -9.629 -8.855 -4.558 1.00 0.00 C ATOM 0 H ALA A 69 -10.680 -7.401 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.166 -9.466 -2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.327 -9.853 -4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.665 -8.680 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.988 -8.114 -5.035 1.00 0.00 H new ATOM 1026 N LEU A 70 -7.764 -8.760 -1.353 1.00 0.00 N ATOM 1027 CA LEU A 70 -6.434 -9.014 -0.812 1.00 0.00 C ATOM 1028 C LEU A 70 -6.083 -10.496 -0.900 1.00 0.00 C ATOM 1029 O LEU A 70 -6.920 -11.319 -1.269 1.00 0.00 O ATOM 1030 CB LEU A 70 -6.355 -8.545 0.642 1.00 0.00 C ATOM 1031 CG LEU A 70 -6.859 -7.128 0.918 1.00 0.00 C ATOM 1032 CD1 LEU A 70 -7.191 -6.958 2.393 1.00 0.00 C ATOM 1033 CD2 LEU A 70 -5.826 -6.100 0.481 1.00 0.00 C ATOM 0 H LEU A 70 -8.416 -8.341 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.714 -8.453 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.927 -9.239 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.317 -8.610 0.968 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.769 -6.968 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.548 -5.944 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.966 -7.670 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.297 -7.138 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.202 -5.097 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.899 -6.259 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.636 -6.206 -0.587 1.00 0.00 H new ATOM 1045 N GLU A 71 -4.842 -10.827 -0.557 1.00 0.00 N ATOM 1046 CA GLU A 71 -4.383 -12.210 -0.597 1.00 0.00 C ATOM 1047 C GLU A 71 -3.052 -12.362 0.134 1.00 0.00 C ATOM 1048 O GLU A 71 -2.413 -11.375 0.496 1.00 0.00 O ATOM 1049 CB GLU A 71 -4.239 -12.682 -2.045 1.00 0.00 C ATOM 1050 CG GLU A 71 -3.709 -11.611 -2.984 1.00 0.00 C ATOM 1051 CD GLU A 71 -4.108 -11.852 -4.427 1.00 0.00 C ATOM 1052 OE1 GLU A 71 -5.293 -12.161 -4.672 1.00 0.00 O ATOM 1053 OE2 GLU A 71 -3.235 -11.730 -5.312 1.00 0.00 O ATOM 0 H GLU A 71 -4.137 -10.157 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.127 -12.828 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.570 -13.542 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.210 -13.022 -2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.081 -10.637 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.622 -11.576 -2.912 1.00 0.00 H new ATOM 1060 N LYS A 72 -2.641 -13.608 0.348 1.00 0.00 N ATOM 1061 CA LYS A 72 -1.386 -13.892 1.035 1.00 0.00 C ATOM 1062 C LYS A 72 -0.222 -13.170 0.363 1.00 0.00 C ATOM 1063 O LYS A 72 0.723 -12.745 1.026 1.00 0.00 O ATOM 1064 CB LYS A 72 -1.122 -15.399 1.055 1.00 0.00 C ATOM 1065 CG LYS A 72 -2.096 -16.176 1.923 1.00 0.00 C ATOM 1066 CD LYS A 72 -3.377 -16.499 1.172 1.00 0.00 C ATOM 1067 CE LYS A 72 -4.124 -17.657 1.816 1.00 0.00 C ATOM 1068 NZ LYS A 72 -3.476 -18.966 1.524 1.00 0.00 N ATOM 0 H LYS A 72 -3.159 -14.437 0.056 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.472 -13.530 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.172 -15.782 0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.108 -15.577 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.627 -17.101 2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.333 -15.596 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.019 -15.618 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.141 -16.748 0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.168 -17.506 2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.152 -17.672 1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.100 -19.739 1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.303 -19.047 0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.572 -19.027 2.034 1.00 0.00 H new ATOM 1082 N ALA A 73 -0.299 -13.035 -0.957 1.00 0.00 N ATOM 1083 CA ALA A 73 0.747 -12.362 -1.718 1.00 0.00 C ATOM 1084 C ALA A 73 0.776 -10.869 -1.408 1.00 0.00 C ATOM 1085 O ALA A 73 1.841 -10.293 -1.182 1.00 0.00 O ATOM 1086 CB ALA A 73 0.544 -12.589 -3.209 1.00 0.00 C ATOM 0 H ALA A 73 -1.074 -13.383 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 73 1.707 -12.787 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.332 -12.081 -3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.580 -13.657 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.426 -12.192 -3.509 1.00 0.00 H new ATOM 1092 N ASP A 74 -0.398 -10.248 -1.399 1.00 0.00 N ATOM 1093 CA ASP A 74 -0.506 -8.821 -1.117 1.00 0.00 C ATOM 1094 C ASP A 74 0.387 -8.431 0.057 1.00 0.00 C ATOM 1095 O ASP A 74 0.861 -7.298 0.138 1.00 0.00 O ATOM 1096 CB ASP A 74 -1.959 -8.449 -0.814 1.00 0.00 C ATOM 1097 CG ASP A 74 -2.809 -8.371 -2.067 1.00 0.00 C ATOM 1098 OD1 ASP A 74 -2.493 -9.083 -3.043 1.00 0.00 O ATOM 1099 OD2 ASP A 74 -3.791 -7.598 -2.071 1.00 0.00 O ATOM 0 H ASP A 74 -1.288 -10.710 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.175 -8.274 -2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.386 -9.186 -0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.986 -7.488 -0.300 1.00 0.00 H new ATOM 1104 N SER A 75 0.611 -9.376 0.964 1.00 0.00 N ATOM 1105 CA SER A 75 1.444 -9.129 2.135 1.00 0.00 C ATOM 1106 C SER A 75 2.825 -8.628 1.725 1.00 0.00 C ATOM 1107 O SER A 75 3.713 -9.417 1.402 1.00 0.00 O ATOM 1108 CB SER A 75 1.578 -10.405 2.969 1.00 0.00 C ATOM 1109 OG SER A 75 0.312 -10.859 3.414 1.00 0.00 O ATOM 0 H SER A 75 0.227 -10.320 0.911 1.00 0.00 H new ATOM 0 HA SER A 75 0.962 -8.358 2.737 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.058 -11.183 2.375 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.222 -10.216 3.828 1.00 0.00 H new ATOM 0 HG SER A 75 0.041 -11.639 2.887 1.00 0.00 H new ATOM 1115 N ASP A 76 2.998 -7.311 1.739 1.00 0.00 N ATOM 1116 CA ASP A 76 4.271 -6.703 1.370 1.00 0.00 C ATOM 1117 C ASP A 76 4.331 -5.249 1.826 1.00 0.00 C ATOM 1118 O ASP A 76 3.379 -4.729 2.409 1.00 0.00 O ATOM 1119 CB ASP A 76 4.479 -6.785 -0.143 1.00 0.00 C ATOM 1120 CG ASP A 76 5.106 -8.097 -0.571 1.00 0.00 C ATOM 1121 OD1 ASP A 76 6.310 -8.295 -0.305 1.00 0.00 O ATOM 1122 OD2 ASP A 76 4.392 -8.927 -1.172 1.00 0.00 O ATOM 0 H ASP A 76 2.273 -6.644 2.002 1.00 0.00 H new ATOM 0 HA ASP A 76 5.068 -7.254 1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.520 -6.663 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 76 5.115 -5.960 -0.465 1.00 0.00 H new ATOM 1127 N THR A 77 5.458 -4.595 1.558 1.00 0.00 N ATOM 1128 CA THR A 77 5.643 -3.202 1.942 1.00 0.00 C ATOM 1129 C THR A 77 5.242 -2.261 0.812 1.00 0.00 C ATOM 1130 O THR A 77 5.906 -2.200 -0.223 1.00 0.00 O ATOM 1131 CB THR A 77 7.105 -2.918 2.337 1.00 0.00 C ATOM 1132 OG1 THR A 77 7.490 -3.760 3.429 1.00 0.00 O ATOM 1133 CG2 THR A 77 7.287 -1.459 2.726 1.00 0.00 C ATOM 0 H THR A 77 6.256 -5.009 1.076 1.00 0.00 H new ATOM 0 HA THR A 77 5.000 -3.024 2.804 1.00 0.00 H new ATOM 0 HB THR A 77 7.738 -3.129 1.475 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.450 -3.947 3.375 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.327 -1.283 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.022 -0.822 1.882 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.643 -1.225 3.574 1.00 0.00 H new ATOM 1141 N TYR A 78 4.153 -1.530 1.016 1.00 0.00 N ATOM 1142 CA TYR A 78 3.662 -0.593 0.013 1.00 0.00 C ATOM 1143 C TYR A 78 4.347 0.763 0.152 1.00 0.00 C ATOM 1144 O TYR A 78 4.510 1.280 1.258 1.00 0.00 O ATOM 1145 CB TYR A 78 2.147 -0.426 0.138 1.00 0.00 C ATOM 1146 CG TYR A 78 1.373 -1.699 -0.120 1.00 0.00 C ATOM 1147 CD1 TYR A 78 1.486 -2.789 0.735 1.00 0.00 C ATOM 1148 CD2 TYR A 78 0.532 -1.814 -1.220 1.00 0.00 C ATOM 1149 CE1 TYR A 78 0.782 -3.955 0.503 1.00 0.00 C ATOM 1150 CE2 TYR A 78 -0.177 -2.975 -1.459 1.00 0.00 C ATOM 1151 CZ TYR A 78 -0.048 -4.043 -0.596 1.00 0.00 C ATOM 1152 OH TYR A 78 -0.751 -5.202 -0.831 1.00 0.00 O ATOM 0 H TYR A 78 3.593 -1.568 1.867 1.00 0.00 H new ATOM 0 HA TYR A 78 3.896 -0.999 -0.971 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.911 -0.064 1.139 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.815 0.339 -0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.135 -2.723 1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.431 -0.981 -1.900 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.881 -4.793 1.178 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.829 -3.046 -2.317 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.232 -5.970 -0.513 1.00 0.00 H new ATOM 1162 N THR A 79 4.748 1.335 -0.980 1.00 0.00 N ATOM 1163 CA THR A 79 5.416 2.630 -0.986 1.00 0.00 C ATOM 1164 C THR A 79 4.596 3.669 -1.743 1.00 0.00 C ATOM 1165 O THR A 79 4.378 3.542 -2.949 1.00 0.00 O ATOM 1166 CB THR A 79 6.817 2.537 -1.621 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.632 1.625 -0.876 1.00 0.00 O ATOM 1168 CG2 THR A 79 7.484 3.903 -1.663 1.00 0.00 C ATOM 0 H THR A 79 4.621 0.921 -1.904 1.00 0.00 H new ATOM 0 HA THR A 79 5.516 2.938 0.055 1.00 0.00 H new ATOM 0 HB THR A 79 6.706 2.174 -2.643 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.520 1.570 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.472 3.812 -2.115 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.876 4.587 -2.255 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.584 4.291 -0.649 1.00 0.00 H new ATOM 1176 N CYS A 80 4.145 4.694 -1.030 1.00 0.00 N ATOM 1177 CA CYS A 80 3.349 5.756 -1.636 1.00 0.00 C ATOM 1178 C CYS A 80 4.228 6.937 -2.032 1.00 0.00 C ATOM 1179 O CYS A 80 4.639 7.730 -1.185 1.00 0.00 O ATOM 1180 CB CYS A 80 2.258 6.218 -0.668 1.00 0.00 C ATOM 1181 SG CYS A 80 1.154 7.478 -1.349 1.00 0.00 S ATOM 0 H CYS A 80 4.317 4.813 -0.032 1.00 0.00 H new ATOM 0 HA CYS A 80 2.882 5.358 -2.537 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.665 5.355 -0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 80 2.729 6.611 0.233 1.00 0.00 H new ATOM 0 HG CYS A 80 0.012 6.936 -1.652 1.00 0.00 H new ATOM 1187 N ASP A 81 4.514 7.047 -3.325 1.00 0.00 N ATOM 1188 CA ASP A 81 5.346 8.131 -3.835 1.00 0.00 C ATOM 1189 C ASP A 81 4.485 9.286 -4.336 1.00 0.00 C ATOM 1190 O ASP A 81 3.463 9.073 -4.989 1.00 0.00 O ATOM 1191 CB ASP A 81 6.248 7.624 -4.961 1.00 0.00 C ATOM 1192 CG ASP A 81 6.602 8.714 -5.954 1.00 0.00 C ATOM 1193 OD1 ASP A 81 5.708 9.135 -6.716 1.00 0.00 O ATOM 1194 OD2 ASP A 81 7.774 9.145 -5.968 1.00 0.00 O ATOM 0 H ASP A 81 4.182 6.399 -4.039 1.00 0.00 H new ATOM 0 HA ASP A 81 5.969 8.494 -3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.163 7.215 -4.533 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.748 6.808 -5.484 1.00 0.00 H new ATOM 1199 N ILE A 82 4.905 10.508 -4.026 1.00 0.00 N ATOM 1200 CA ILE A 82 4.172 11.696 -4.445 1.00 0.00 C ATOM 1201 C ILE A 82 4.957 12.487 -5.487 1.00 0.00 C ATOM 1202 O ILE A 82 4.392 13.292 -6.226 1.00 0.00 O ATOM 1203 CB ILE A 82 3.858 12.615 -3.250 1.00 0.00 C ATOM 1204 CG1 ILE A 82 5.145 12.976 -2.504 1.00 0.00 C ATOM 1205 CG2 ILE A 82 2.866 11.944 -2.312 1.00 0.00 C ATOM 1206 CD1 ILE A 82 4.954 14.046 -1.452 1.00 0.00 C ATOM 0 H ILE A 82 5.749 10.701 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 82 3.236 11.351 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 82 3.408 13.534 -3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.544 12.079 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.890 13.315 -3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.654 12.606 -1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.942 11.733 -2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.290 11.011 -1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.907 14.251 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.584 14.957 -1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.233 13.702 -0.710 1.00 0.00 H new ATOM 1218 N GLY A 83 6.264 12.249 -5.542 1.00 0.00 N ATOM 1219 CA GLY A 83 7.105 12.945 -6.498 1.00 0.00 C ATOM 1220 C GLY A 83 8.403 13.431 -5.882 1.00 0.00 C ATOM 1221 O GLY A 83 9.433 13.483 -6.553 1.00 0.00 O ATOM 0 H GLY A 83 6.755 11.587 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.329 12.280 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.559 13.796 -6.906 1.00 0.00 H new ATOM 1225 N GLN A 84 8.352 13.789 -4.603 1.00 0.00 N ATOM 1226 CA GLN A 84 9.532 14.275 -3.899 1.00 0.00 C ATOM 1227 C GLN A 84 9.873 13.372 -2.719 1.00 0.00 C ATOM 1228 O GLN A 84 11.030 13.276 -2.311 1.00 0.00 O ATOM 1229 CB GLN A 84 9.307 15.708 -3.412 1.00 0.00 C ATOM 1230 CG GLN A 84 10.591 16.506 -3.257 1.00 0.00 C ATOM 1231 CD GLN A 84 11.104 17.049 -4.576 1.00 0.00 C ATOM 1232 OE1 GLN A 84 11.410 16.289 -5.497 1.00 0.00 O ATOM 1233 NE2 GLN A 84 11.202 18.369 -4.676 1.00 0.00 N ATOM 0 H GLN A 84 7.506 13.752 -4.034 1.00 0.00 H new ATOM 0 HA GLN A 84 10.370 14.263 -4.596 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.651 16.223 -4.114 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.788 15.680 -2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.419 17.334 -2.570 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.356 15.873 -2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.938 18.961 -3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.542 18.791 -5.540 1.00 0.00 H new ATOM 1242 N ALA A 85 8.857 12.710 -2.174 1.00 0.00 N ATOM 1243 CA ALA A 85 9.049 11.813 -1.041 1.00 0.00 C ATOM 1244 C ALA A 85 8.260 10.521 -1.224 1.00 0.00 C ATOM 1245 O ALA A 85 7.433 10.412 -2.129 1.00 0.00 O ATOM 1246 CB ALA A 85 8.644 12.503 0.253 1.00 0.00 C ATOM 0 H ALA A 85 7.893 12.778 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 85 10.107 11.557 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.793 11.822 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.255 13.394 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.593 12.789 0.200 1.00 0.00 H new ATOM 1252 N GLN A 86 8.521 9.546 -0.359 1.00 0.00 N ATOM 1253 CA GLN A 86 7.836 8.261 -0.428 1.00 0.00 C ATOM 1254 C GLN A 86 7.708 7.638 0.958 1.00 0.00 C ATOM 1255 O GLN A 86 8.649 7.666 1.751 1.00 0.00 O ATOM 1256 CB GLN A 86 8.584 7.309 -1.361 1.00 0.00 C ATOM 1257 CG GLN A 86 8.850 7.892 -2.740 1.00 0.00 C ATOM 1258 CD GLN A 86 10.075 8.785 -2.769 1.00 0.00 C ATOM 1259 OE1 GLN A 86 11.112 8.455 -2.194 1.00 0.00 O ATOM 1260 NE2 GLN A 86 9.960 9.924 -3.442 1.00 0.00 N ATOM 0 H GLN A 86 9.201 9.622 0.397 1.00 0.00 H new ATOM 0 HA GLN A 86 6.835 8.432 -0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.534 7.036 -0.902 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.006 6.391 -1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.980 7.080 -3.455 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.980 8.464 -3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.081 10.157 -3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.751 10.566 -3.497 1.00 0.00 H new ATOM 1269 N SER A 87 6.538 7.076 1.244 1.00 0.00 N ATOM 1270 CA SER A 87 6.285 6.450 2.536 1.00 0.00 C ATOM 1271 C SER A 87 6.349 4.930 2.425 1.00 0.00 C ATOM 1272 O SER A 87 6.569 4.384 1.343 1.00 0.00 O ATOM 1273 CB SER A 87 4.919 6.876 3.075 1.00 0.00 C ATOM 1274 OG SER A 87 4.636 6.239 4.310 1.00 0.00 O ATOM 0 H SER A 87 5.750 7.041 0.598 1.00 0.00 H new ATOM 0 HA SER A 87 7.059 6.779 3.229 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.898 7.958 3.207 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.145 6.628 2.349 1.00 0.00 H new ATOM 0 HG SER A 87 4.667 6.899 5.033 1.00 0.00 H new ATOM 1280 N ARG A 88 6.156 4.251 3.551 1.00 0.00 N ATOM 1281 CA ARG A 88 6.192 2.794 3.581 1.00 0.00 C ATOM 1282 C ARG A 88 5.282 2.250 4.678 1.00 0.00 C ATOM 1283 O ARG A 88 5.147 2.852 5.742 1.00 0.00 O ATOM 1284 CB ARG A 88 7.624 2.303 3.802 1.00 0.00 C ATOM 1285 CG ARG A 88 8.480 2.335 2.546 1.00 0.00 C ATOM 1286 CD ARG A 88 9.821 1.655 2.769 1.00 0.00 C ATOM 1287 NE ARG A 88 9.668 0.256 3.159 1.00 0.00 N ATOM 1288 CZ ARG A 88 10.601 -0.669 2.961 1.00 0.00 C ATOM 1289 NH1 ARG A 88 11.748 -0.345 2.380 1.00 0.00 N ATOM 1290 NH2 ARG A 88 10.387 -1.921 3.344 1.00 0.00 N ATOM 0 H ARG A 88 5.973 4.687 4.455 1.00 0.00 H new ATOM 0 HA ARG A 88 5.833 2.427 2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.096 2.918 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.594 1.283 4.185 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.951 1.841 1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.641 3.369 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.413 1.714 1.856 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.374 2.188 3.542 1.00 0.00 H new ATOM 0 HE ARG A 88 8.797 -0.027 3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.916 0.616 2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.462 -1.057 2.229 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.506 -2.174 3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.104 -2.631 3.192 1.00 0.00 H new ATOM 1304 N ALA A 89 4.658 1.107 4.409 1.00 0.00 N ATOM 1305 CA ALA A 89 3.761 0.481 5.373 1.00 0.00 C ATOM 1306 C ALA A 89 3.718 -1.031 5.181 1.00 0.00 C ATOM 1307 O ALA A 89 3.878 -1.528 4.067 1.00 0.00 O ATOM 1308 CB ALA A 89 2.364 1.071 5.254 1.00 0.00 C ATOM 0 H ALA A 89 4.757 0.596 3.532 1.00 0.00 H new ATOM 0 HA ALA A 89 4.144 0.683 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.705 0.594 5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.404 2.143 5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.981 0.899 4.248 1.00 0.00 H new ATOM 1314 N GLN A 90 3.502 -1.755 6.274 1.00 0.00 N ATOM 1315 CA GLN A 90 3.439 -3.211 6.224 1.00 0.00 C ATOM 1316 C GLN A 90 1.996 -3.697 6.310 1.00 0.00 C ATOM 1317 O GLN A 90 1.212 -3.208 7.125 1.00 0.00 O ATOM 1318 CB GLN A 90 4.262 -3.817 7.362 1.00 0.00 C ATOM 1319 CG GLN A 90 5.734 -3.437 7.318 1.00 0.00 C ATOM 1320 CD GLN A 90 6.631 -4.509 7.904 1.00 0.00 C ATOM 1321 OE1 GLN A 90 6.690 -4.688 9.121 1.00 0.00 O ATOM 1322 NE2 GLN A 90 7.337 -5.228 7.040 1.00 0.00 N ATOM 0 H GLN A 90 3.368 -1.358 7.204 1.00 0.00 H new ATOM 0 HA GLN A 90 3.856 -3.535 5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 90 3.841 -3.496 8.315 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.174 -4.903 7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.026 -3.249 6.285 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.882 -2.506 7.865 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.257 -5.046 6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.959 -5.963 7.376 1.00 0.00 H new ATOM 1331 N LEU A 91 1.650 -4.662 5.465 1.00 0.00 N ATOM 1332 CA LEU A 91 0.300 -5.215 5.445 1.00 0.00 C ATOM 1333 C LEU A 91 0.300 -6.668 5.909 1.00 0.00 C ATOM 1334 O LEU A 91 1.190 -7.443 5.557 1.00 0.00 O ATOM 1335 CB LEU A 91 -0.291 -5.116 4.038 1.00 0.00 C ATOM 1336 CG LEU A 91 -1.457 -6.058 3.733 1.00 0.00 C ATOM 1337 CD1 LEU A 91 -2.693 -5.649 4.519 1.00 0.00 C ATOM 1338 CD2 LEU A 91 -1.753 -6.074 2.240 1.00 0.00 C ATOM 0 H LEU A 91 2.286 -5.078 4.784 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.315 -4.634 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.626 -4.091 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.504 -5.308 3.317 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.175 -7.066 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.512 -6.330 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.475 -5.690 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.978 -4.633 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.585 -6.749 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.015 -5.069 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.871 -6.416 1.698 1.00 0.00 H new ATOM 1350 N LEU A 92 -0.704 -7.031 6.699 1.00 0.00 N ATOM 1351 CA LEU A 92 -0.822 -8.392 7.210 1.00 0.00 C ATOM 1352 C LEU A 92 -2.109 -9.048 6.719 1.00 0.00 C ATOM 1353 O LEU A 92 -3.207 -8.670 7.129 1.00 0.00 O ATOM 1354 CB LEU A 92 -0.789 -8.389 8.739 1.00 0.00 C ATOM 1355 CG LEU A 92 -0.858 -9.759 9.415 1.00 0.00 C ATOM 1356 CD1 LEU A 92 -0.164 -10.810 8.562 1.00 0.00 C ATOM 1357 CD2 LEU A 92 -0.237 -9.701 10.803 1.00 0.00 C ATOM 0 H LEU A 92 -1.448 -6.402 7.000 1.00 0.00 H new ATOM 0 HA LEU A 92 0.024 -8.969 6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.126 -7.893 9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.623 -7.786 9.099 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.906 -10.039 9.519 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.223 -11.779 9.059 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.653 -10.870 7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.882 -10.535 8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.295 -10.685 11.269 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.807 -9.399 10.722 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.778 -8.978 11.414 1.00 0.00 H new ATOM 1369 N VAL A 93 -1.966 -10.035 5.840 1.00 0.00 N ATOM 1370 CA VAL A 93 -3.117 -10.747 5.296 1.00 0.00 C ATOM 1371 C VAL A 93 -3.394 -12.024 6.081 1.00 0.00 C ATOM 1372 O VAL A 93 -2.864 -13.088 5.761 1.00 0.00 O ATOM 1373 CB VAL A 93 -2.906 -11.104 3.813 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -3.923 -12.141 3.363 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -2.988 -9.855 2.948 1.00 0.00 C ATOM 0 H VAL A 93 -1.065 -10.360 5.489 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.973 -10.078 5.382 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.911 -11.533 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.758 -12.380 2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.812 -13.044 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.930 -11.743 3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.837 -10.126 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.969 -9.395 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.217 -9.148 3.255 1.00 0.00 H new ATOM 1385 N GLN A 94 -4.229 -11.912 7.109 1.00 0.00 N ATOM 1386 CA GLN A 94 -4.577 -13.058 7.939 1.00 0.00 C ATOM 1387 C GLN A 94 -5.435 -14.052 7.163 1.00 0.00 C ATOM 1388 O GLN A 94 -6.639 -13.856 7.003 1.00 0.00 O ATOM 1389 CB GLN A 94 -5.318 -12.599 9.196 1.00 0.00 C ATOM 1390 CG GLN A 94 -4.461 -11.770 10.139 1.00 0.00 C ATOM 1391 CD GLN A 94 -5.075 -11.636 11.519 1.00 0.00 C ATOM 1392 OE1 GLN A 94 -6.296 -11.667 11.673 1.00 0.00 O ATOM 1393 NE2 GLN A 94 -4.229 -11.485 12.531 1.00 0.00 N ATOM 0 H GLN A 94 -4.677 -11.039 7.387 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.653 -13.555 8.233 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.189 -12.014 8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.688 -13.474 9.730 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.476 -12.228 10.227 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.314 -10.778 9.713 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.224 -11.465 12.357 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -4.584 -11.389 13.482 1.00 0.00 H new