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 -19:sc= -0.109 USER MOD Set 1.2: A 80 CYS SG : rot 111:sc= 1.26 USER MOD Single : A 9 ASN : amide:sc= -1.97! C(o=-2!,f=-11!) USER MOD Single : A 10 CYS SG : rot 180:sc= 0.135 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.9) USER MOD Single : A 19 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.6) USER MOD Single : A 23 LYS NZ :NH3+ 149:sc= -0.391 (180deg=-1.61!) USER MOD Single : A 25 THR OG1 : rot -39:sc= -0.0599! USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 113:sc= 0.593 USER MOD Single : A 34 HIS : no HD1:sc= -0.115 X(o=-0.11,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 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0411) USER MOD Single : A 54 HIS : no HD1:sc= -0.0938 X(o=-0.094,f=-0.13) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.3) USER MOD Single : A 62 THR OG1 : rot 66:sc= 1.45 USER MOD Single : A 66 THR OG1 : rot 170:sc= -0.216 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0581 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0589 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 56:sc= 0.309 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.686 K(o=-0.69,f=-2.9!) USER MOD Single : A 86 GLN : amide:sc= -1.99 K(o=-2,f=-3.6!) USER MOD Single : A 87 SER OG : rot 90:sc= -0.275 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 76 N ASN A 9 8.297 18.742 -0.982 1.00 0.00 N ATOM 77 CA ASN A 9 7.119 18.223 -0.296 1.00 0.00 C ATOM 78 C ASN A 9 7.511 17.170 0.736 1.00 0.00 C ATOM 79 O ASN A 9 8.598 16.594 0.669 1.00 0.00 O ATOM 80 CB ASN A 9 6.138 17.624 -1.306 1.00 0.00 C ATOM 81 CG ASN A 9 4.699 17.708 -0.833 1.00 0.00 C ATOM 82 OD1 ASN A 9 4.431 18.047 0.319 1.00 0.00 O ATOM 83 ND2 ASN A 9 3.765 17.397 -1.725 1.00 0.00 N ATOM 0 HA ASN A 9 6.636 19.051 0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.236 18.146 -2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.398 16.581 -1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.779 17.434 -1.465 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.034 17.121 -2.670 1.00 0.00 H new ATOM 90 N CYS A 10 6.619 16.923 1.689 1.00 0.00 N ATOM 91 CA CYS A 10 6.871 15.939 2.736 1.00 0.00 C ATOM 92 C CYS A 10 5.572 15.280 3.187 1.00 0.00 C ATOM 93 O CYS A 10 4.487 15.649 2.736 1.00 0.00 O ATOM 94 CB CYS A 10 7.564 16.599 3.929 1.00 0.00 C ATOM 95 SG CYS A 10 8.643 15.489 4.863 1.00 0.00 S ATOM 0 H CYS A 10 5.715 17.390 1.758 1.00 0.00 H new ATOM 0 HA CYS A 10 7.524 15.169 2.327 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.152 17.444 3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.805 17.000 4.600 1.00 0.00 H new ATOM 0 HG CYS A 10 9.185 16.139 5.850 1.00 0.00 H new ATOM 101 N PHE A 11 5.689 14.303 4.079 1.00 0.00 N ATOM 102 CA PHE A 11 4.524 13.590 4.590 1.00 0.00 C ATOM 103 C PHE A 11 4.297 13.905 6.066 1.00 0.00 C ATOM 104 O PHE A 11 5.104 13.540 6.922 1.00 0.00 O ATOM 105 CB PHE A 11 4.698 12.082 4.400 1.00 0.00 C ATOM 106 CG PHE A 11 4.541 11.636 2.974 1.00 0.00 C ATOM 107 CD1 PHE A 11 5.541 11.875 2.046 1.00 0.00 C ATOM 108 CD2 PHE A 11 3.393 10.978 2.562 1.00 0.00 C ATOM 109 CE1 PHE A 11 5.401 11.465 0.733 1.00 0.00 C ATOM 110 CE2 PHE A 11 3.247 10.565 1.251 1.00 0.00 C ATOM 111 CZ PHE A 11 4.252 10.811 0.335 1.00 0.00 C ATOM 0 H PHE A 11 6.579 13.986 4.464 1.00 0.00 H new ATOM 0 HA PHE A 11 3.651 13.922 4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.686 11.790 4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.968 11.559 5.018 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.441 12.388 2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.603 10.786 3.273 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.189 11.656 0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.349 10.051 0.943 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.139 10.492 -0.691 1.00 0.00 H new ATOM 121 N THR A 12 3.193 14.587 6.357 1.00 0.00 N ATOM 122 CA THR A 12 2.861 14.953 7.728 1.00 0.00 C ATOM 123 C THR A 12 2.340 13.751 8.507 1.00 0.00 C ATOM 124 O THR A 12 2.528 13.657 9.720 1.00 0.00 O ATOM 125 CB THR A 12 1.805 16.074 7.769 1.00 0.00 C ATOM 126 OG1 THR A 12 0.639 15.676 7.039 1.00 0.00 O ATOM 127 CG2 THR A 12 2.361 17.363 7.184 1.00 0.00 C ATOM 0 H THR A 12 2.514 14.897 5.661 1.00 0.00 H new ATOM 0 HA THR A 12 3.780 15.312 8.191 1.00 0.00 H new ATOM 0 HB THR A 12 1.537 16.253 8.810 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.028 16.393 7.071 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.597 18.140 7.224 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.230 17.679 7.761 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.654 17.195 6.148 1.00 0.00 H new ATOM 135 N GLU A 13 1.685 12.833 7.803 1.00 0.00 N ATOM 136 CA GLU A 13 1.137 11.637 8.431 1.00 0.00 C ATOM 137 C GLU A 13 1.541 10.384 7.659 1.00 0.00 C ATOM 138 O GLU A 13 0.934 10.046 6.643 1.00 0.00 O ATOM 139 CB GLU A 13 -0.389 11.729 8.512 1.00 0.00 C ATOM 140 CG GLU A 13 -0.893 12.364 9.797 1.00 0.00 C ATOM 141 CD GLU A 13 -2.402 12.302 9.925 1.00 0.00 C ATOM 142 OE1 GLU A 13 -2.996 11.307 9.461 1.00 0.00 O ATOM 143 OE2 GLU A 13 -2.989 13.250 10.488 1.00 0.00 O ATOM 0 H GLU A 13 1.521 12.895 6.798 1.00 0.00 H new ATOM 0 HA GLU A 13 1.544 11.569 9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.755 12.307 7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.810 10.728 8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.439 11.859 10.650 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.571 13.405 9.834 1.00 0.00 H new ATOM 150 N GLU A 14 2.570 9.700 8.150 1.00 0.00 N ATOM 151 CA GLU A 14 3.056 8.486 7.506 1.00 0.00 C ATOM 152 C GLU A 14 2.025 7.366 7.606 1.00 0.00 C ATOM 153 O GLU A 14 1.200 7.347 8.521 1.00 0.00 O ATOM 154 CB GLU A 14 4.375 8.038 8.140 1.00 0.00 C ATOM 155 CG GLU A 14 5.565 8.893 7.739 1.00 0.00 C ATOM 156 CD GLU A 14 6.684 8.852 8.761 1.00 0.00 C ATOM 157 OE1 GLU A 14 6.380 8.776 9.970 1.00 0.00 O ATOM 158 OE2 GLU A 14 7.863 8.895 8.353 1.00 0.00 O ATOM 0 H GLU A 14 3.082 9.966 8.991 1.00 0.00 H new ATOM 0 HA GLU A 14 3.225 8.708 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.272 8.059 9.225 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.571 7.003 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.945 8.551 6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.238 9.924 7.605 1.00 0.00 H new ATOM 165 N LEU A 15 2.077 6.435 6.660 1.00 0.00 N ATOM 166 CA LEU A 15 1.147 5.311 6.641 1.00 0.00 C ATOM 167 C LEU A 15 1.164 4.567 7.972 1.00 0.00 C ATOM 168 O LEU A 15 1.995 4.840 8.839 1.00 0.00 O ATOM 169 CB LEU A 15 1.499 4.351 5.503 1.00 0.00 C ATOM 170 CG LEU A 15 1.258 4.873 4.086 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.198 4.196 3.101 1.00 0.00 C ATOM 172 CD2 LEU A 15 -0.192 4.656 3.678 1.00 0.00 C ATOM 0 H LEU A 15 2.753 6.436 5.896 1.00 0.00 H new ATOM 0 HA LEU A 15 0.144 5.705 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.551 4.080 5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.922 3.436 5.635 1.00 0.00 H new ATOM 0 HG LEU A 15 1.462 5.944 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.012 4.580 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.231 4.402 3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.026 3.120 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.346 5.033 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.423 3.591 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.847 5.188 4.367 1.00 0.00 H new ATOM 184 N THR A 16 0.241 3.623 8.129 1.00 0.00 N ATOM 185 CA THR A 16 0.150 2.838 9.354 1.00 0.00 C ATOM 186 C THR A 16 -0.134 1.372 9.048 1.00 0.00 C ATOM 187 O THR A 16 -1.097 1.048 8.354 1.00 0.00 O ATOM 188 CB THR A 16 -0.950 3.379 10.287 1.00 0.00 C ATOM 189 OG1 THR A 16 -0.972 2.626 11.505 1.00 0.00 O ATOM 190 CG2 THR A 16 -2.313 3.307 9.615 1.00 0.00 C ATOM 0 H THR A 16 -0.455 3.384 7.422 1.00 0.00 H new ATOM 0 HA THR A 16 1.114 2.921 9.855 1.00 0.00 H new ATOM 0 HB THR A 16 -0.727 4.423 10.509 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.673 2.977 12.094 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.074 3.694 10.293 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.301 3.904 8.703 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.542 2.271 9.367 1.00 0.00 H new ATOM 198 N ASN A 17 0.711 0.489 9.570 1.00 0.00 N ATOM 199 CA ASN A 17 0.550 -0.944 9.352 1.00 0.00 C ATOM 200 C ASN A 17 -0.921 -1.342 9.418 1.00 0.00 C ATOM 201 O ASN A 17 -1.624 -1.008 10.373 1.00 0.00 O ATOM 202 CB ASN A 17 1.351 -1.732 10.392 1.00 0.00 C ATOM 203 CG ASN A 17 2.778 -1.236 10.520 1.00 0.00 C ATOM 204 OD1 ASN A 17 3.283 -0.533 9.645 1.00 0.00 O ATOM 205 ND2 ASN A 17 3.435 -1.601 11.614 1.00 0.00 N ATOM 0 H ASN A 17 1.514 0.740 10.147 1.00 0.00 H new ATOM 0 HA ASN A 17 0.927 -1.180 8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.856 -1.659 11.360 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.359 -2.787 10.117 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.399 -1.298 11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.976 -2.185 12.313 1.00 0.00 H new ATOM 212 N LEU A 18 -1.380 -2.059 8.399 1.00 0.00 N ATOM 213 CA LEU A 18 -2.768 -2.504 8.340 1.00 0.00 C ATOM 214 C LEU A 18 -2.860 -4.021 8.476 1.00 0.00 C ATOM 215 O LEU A 18 -2.023 -4.752 7.946 1.00 0.00 O ATOM 216 CB LEU A 18 -3.413 -2.059 7.026 1.00 0.00 C ATOM 217 CG LEU A 18 -3.472 -0.550 6.786 1.00 0.00 C ATOM 218 CD1 LEU A 18 -4.112 -0.248 5.440 1.00 0.00 C ATOM 219 CD2 LEU A 18 -4.235 0.140 7.908 1.00 0.00 C ATOM 0 H LEU A 18 -0.811 -2.345 7.602 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.304 -2.049 9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.866 -2.517 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.429 -2.452 6.991 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.453 -0.164 6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.145 0.831 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.525 -0.709 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.126 -0.649 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.267 1.213 7.720 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.252 -0.251 7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.734 -0.047 8.858 1.00 0.00 H new ATOM 231 N GLN A 19 -3.882 -4.486 9.187 1.00 0.00 N ATOM 232 CA GLN A 19 -4.083 -5.916 9.390 1.00 0.00 C ATOM 233 C GLN A 19 -5.540 -6.299 9.156 1.00 0.00 C ATOM 234 O GLN A 19 -6.429 -5.884 9.899 1.00 0.00 O ATOM 235 CB GLN A 19 -3.658 -6.316 10.804 1.00 0.00 C ATOM 236 CG GLN A 19 -3.727 -7.813 11.059 1.00 0.00 C ATOM 237 CD GLN A 19 -5.102 -8.266 11.508 1.00 0.00 C ATOM 238 OE1 GLN A 19 -5.890 -8.780 10.714 1.00 0.00 O ATOM 239 NE2 GLN A 19 -5.398 -8.079 12.789 1.00 0.00 N ATOM 0 H GLN A 19 -4.583 -3.894 9.632 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.466 -6.451 8.668 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.638 -5.973 10.979 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.295 -5.803 11.525 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.453 -8.346 10.149 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.994 -8.082 11.819 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.715 -7.649 13.413 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.308 -8.365 13.149 1.00 0.00 H new ATOM 248 N VAL A 20 -5.778 -7.094 8.117 1.00 0.00 N ATOM 249 CA VAL A 20 -7.128 -7.535 7.785 1.00 0.00 C ATOM 250 C VAL A 20 -7.109 -8.900 7.108 1.00 0.00 C ATOM 251 O VAL A 20 -6.280 -9.160 6.237 1.00 0.00 O ATOM 252 CB VAL A 20 -7.836 -6.526 6.862 1.00 0.00 C ATOM 253 CG1 VAL A 20 -9.332 -6.800 6.818 1.00 0.00 C ATOM 254 CG2 VAL A 20 -7.560 -5.101 7.319 1.00 0.00 C ATOM 0 H VAL A 20 -5.054 -7.446 7.491 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.678 -7.606 8.723 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.440 -6.643 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.815 -6.077 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.506 -7.807 6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.748 -6.712 7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.068 -4.401 6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.927 -4.968 8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.487 -4.912 7.293 1.00 0.00 H new ATOM 264 N GLU A 21 -8.030 -9.769 7.514 1.00 0.00 N ATOM 265 CA GLU A 21 -8.118 -11.109 6.946 1.00 0.00 C ATOM 266 C GLU A 21 -8.200 -11.050 5.424 1.00 0.00 C ATOM 267 O GLU A 21 -8.630 -10.048 4.854 1.00 0.00 O ATOM 268 CB GLU A 21 -9.338 -11.845 7.505 1.00 0.00 C ATOM 269 CG GLU A 21 -9.401 -11.853 9.024 1.00 0.00 C ATOM 270 CD GLU A 21 -10.636 -12.555 9.552 1.00 0.00 C ATOM 271 OE1 GLU A 21 -10.640 -13.804 9.590 1.00 0.00 O ATOM 272 OE2 GLU A 21 -11.600 -11.856 9.929 1.00 0.00 O ATOM 0 H GLU A 21 -8.725 -9.569 8.233 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.215 -11.653 7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.243 -11.379 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.328 -12.874 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.512 -12.345 9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.387 -10.826 9.390 1.00 0.00 H new ATOM 279 N GLU A 22 -7.782 -12.132 4.772 1.00 0.00 N ATOM 280 CA GLU A 22 -7.807 -12.202 3.316 1.00 0.00 C ATOM 281 C GLU A 22 -9.219 -11.974 2.784 1.00 0.00 C ATOM 282 O GLU A 22 -10.201 -12.119 3.513 1.00 0.00 O ATOM 283 CB GLU A 22 -7.284 -13.559 2.840 1.00 0.00 C ATOM 284 CG GLU A 22 -8.154 -14.730 3.265 1.00 0.00 C ATOM 285 CD GLU A 22 -7.477 -16.069 3.047 1.00 0.00 C ATOM 286 OE1 GLU A 22 -6.763 -16.527 3.964 1.00 0.00 O ATOM 287 OE2 GLU A 22 -7.662 -16.659 1.962 1.00 0.00 O ATOM 0 H GLU A 22 -7.423 -12.970 5.229 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.160 -11.415 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.209 -13.549 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.276 -13.707 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.410 -14.624 4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.089 -14.705 2.706 1.00 0.00 H new ATOM 294 N LYS A 23 -9.313 -11.614 1.508 1.00 0.00 N ATOM 295 CA LYS A 23 -10.603 -11.366 0.876 1.00 0.00 C ATOM 296 C LYS A 23 -11.326 -10.206 1.553 1.00 0.00 C ATOM 297 O LYS A 23 -12.553 -10.127 1.527 1.00 0.00 O ATOM 298 CB LYS A 23 -11.472 -12.624 0.932 1.00 0.00 C ATOM 299 CG LYS A 23 -10.994 -13.735 0.012 1.00 0.00 C ATOM 300 CD LYS A 23 -11.557 -13.579 -1.390 1.00 0.00 C ATOM 301 CE LYS A 23 -12.937 -14.208 -1.510 1.00 0.00 C ATOM 302 NZ LYS A 23 -14.016 -13.256 -1.125 1.00 0.00 N ATOM 0 H LYS A 23 -8.510 -11.488 0.891 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.424 -11.102 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.493 -12.996 1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.496 -12.360 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.905 -13.731 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.293 -14.700 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.615 -12.521 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.881 -14.043 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.096 -14.542 -2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.989 -15.092 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.875 -13.465 -1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.220 -13.354 -0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.708 -12.283 -1.324 1.00 0.00 H new ATOM 316 N GLY A 24 -10.556 -9.305 2.156 1.00 0.00 N ATOM 317 CA GLY A 24 -11.141 -8.161 2.830 1.00 0.00 C ATOM 318 C GLY A 24 -10.941 -6.870 2.060 1.00 0.00 C ATOM 319 O GLY A 24 -11.259 -6.790 0.873 1.00 0.00 O ATOM 0 H GLY A 24 -9.537 -9.347 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.208 -8.334 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.698 -8.062 3.821 1.00 0.00 H new ATOM 323 N THR A 25 -10.413 -5.855 2.736 1.00 0.00 N ATOM 324 CA THR A 25 -10.174 -4.561 2.110 1.00 0.00 C ATOM 325 C THR A 25 -9.163 -3.743 2.906 1.00 0.00 C ATOM 326 O THR A 25 -9.357 -3.484 4.093 1.00 0.00 O ATOM 327 CB THR A 25 -11.478 -3.753 1.974 1.00 0.00 C ATOM 328 OG1 THR A 25 -12.567 -4.629 1.661 1.00 0.00 O ATOM 329 CG2 THR A 25 -11.347 -2.692 0.891 1.00 0.00 C ATOM 0 H THR A 25 -10.142 -5.904 3.718 1.00 0.00 H new ATOM 0 HA THR A 25 -9.774 -4.760 1.116 1.00 0.00 H new ATOM 0 HB THR A 25 -11.673 -3.257 2.925 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.265 -5.313 1.027 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.280 -2.134 0.813 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.536 -2.009 1.146 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.130 -3.171 -0.064 1.00 0.00 H new ATOM 337 N ALA A 26 -8.084 -3.339 2.244 1.00 0.00 N ATOM 338 CA ALA A 26 -7.044 -2.547 2.890 1.00 0.00 C ATOM 339 C ALA A 26 -6.789 -1.250 2.129 1.00 0.00 C ATOM 340 O ALA A 26 -6.419 -1.270 0.955 1.00 0.00 O ATOM 341 CB ALA A 26 -5.760 -3.356 3.004 1.00 0.00 C ATOM 0 H ALA A 26 -7.907 -3.547 1.261 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.388 -2.288 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.992 -2.753 3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.946 -4.251 3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.422 -3.644 2.009 1.00 0.00 H new ATOM 347 N VAL A 27 -6.990 -0.124 2.806 1.00 0.00 N ATOM 348 CA VAL A 27 -6.782 1.183 2.194 1.00 0.00 C ATOM 349 C VAL A 27 -5.676 1.954 2.906 1.00 0.00 C ATOM 350 O VAL A 27 -5.896 2.535 3.969 1.00 0.00 O ATOM 351 CB VAL A 27 -8.072 2.024 2.212 1.00 0.00 C ATOM 352 CG1 VAL A 27 -8.805 1.849 3.534 1.00 0.00 C ATOM 353 CG2 VAL A 27 -7.756 3.490 1.957 1.00 0.00 C ATOM 0 H VAL A 27 -7.297 -0.091 3.778 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.489 1.004 1.160 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.725 1.673 1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.714 2.451 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.065 0.799 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.161 2.172 4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.679 4.069 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.083 3.857 2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.279 3.595 0.983 1.00 0.00 H new ATOM 363 N PHE A 28 -4.486 1.954 2.314 1.00 0.00 N ATOM 364 CA PHE A 28 -3.345 2.653 2.893 1.00 0.00 C ATOM 365 C PHE A 28 -3.599 4.157 2.947 1.00 0.00 C ATOM 366 O PHE A 28 -3.434 4.863 1.952 1.00 0.00 O ATOM 367 CB PHE A 28 -2.080 2.367 2.081 1.00 0.00 C ATOM 368 CG PHE A 28 -1.367 1.114 2.503 1.00 0.00 C ATOM 369 CD1 PHE A 28 -0.892 0.975 3.797 1.00 0.00 C ATOM 370 CD2 PHE A 28 -1.171 0.077 1.606 1.00 0.00 C ATOM 371 CE1 PHE A 28 -0.236 -0.177 4.189 1.00 0.00 C ATOM 372 CE2 PHE A 28 -0.516 -1.077 1.992 1.00 0.00 C ATOM 373 CZ PHE A 28 -0.047 -1.204 3.285 1.00 0.00 C ATOM 0 H PHE A 28 -4.287 1.478 1.434 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.206 2.289 3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.345 2.287 1.027 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.399 3.212 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.036 1.776 4.507 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.534 0.171 0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.128 -0.274 5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.371 -1.879 1.283 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.466 -2.104 3.588 1.00 0.00 H new ATOM 383 N THR A 29 -4.002 4.641 4.118 1.00 0.00 N ATOM 384 CA THR A 29 -4.281 6.059 4.304 1.00 0.00 C ATOM 385 C THR A 29 -3.017 6.823 4.684 1.00 0.00 C ATOM 386 O THR A 29 -2.246 6.380 5.536 1.00 0.00 O ATOM 387 CB THR A 29 -5.349 6.284 5.391 1.00 0.00 C ATOM 388 OG1 THR A 29 -5.227 5.288 6.412 1.00 0.00 O ATOM 389 CG2 THR A 29 -6.747 6.236 4.793 1.00 0.00 C ATOM 0 H THR A 29 -4.142 4.071 4.952 1.00 0.00 H new ATOM 0 HA THR A 29 -4.657 6.434 3.352 1.00 0.00 H new ATOM 0 HB THR A 29 -5.190 7.271 5.827 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.908 5.439 7.100 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.485 6.397 5.579 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.846 7.015 4.037 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.913 5.261 4.334 1.00 0.00 H new ATOM 397 N CYS A 30 -2.812 7.971 4.048 1.00 0.00 N ATOM 398 CA CYS A 30 -1.640 8.796 4.319 1.00 0.00 C ATOM 399 C CYS A 30 -1.969 10.277 4.159 1.00 0.00 C ATOM 400 O CYS A 30 -3.114 10.644 3.894 1.00 0.00 O ATOM 401 CB CYS A 30 -0.492 8.412 3.385 1.00 0.00 C ATOM 402 SG CYS A 30 -0.969 8.279 1.646 1.00 0.00 S ATOM 0 H CYS A 30 -3.442 8.352 3.342 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.333 8.620 5.350 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.301 9.154 3.477 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.076 7.459 3.711 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.258 8.135 1.559 1.00 0.00 H new ATOM 408 N LYS A 31 -0.959 11.123 4.322 1.00 0.00 N ATOM 409 CA LYS A 31 -1.139 12.565 4.196 1.00 0.00 C ATOM 410 C LYS A 31 0.138 13.231 3.694 1.00 0.00 C ATOM 411 O LYS A 31 1.202 12.613 3.662 1.00 0.00 O ATOM 412 CB LYS A 31 -1.546 13.168 5.542 1.00 0.00 C ATOM 413 CG LYS A 31 -2.469 14.368 5.416 1.00 0.00 C ATOM 414 CD LYS A 31 -2.886 14.896 6.779 1.00 0.00 C ATOM 415 CE LYS A 31 -3.783 16.118 6.652 1.00 0.00 C ATOM 416 NZ LYS A 31 -3.002 17.350 6.352 1.00 0.00 N ATOM 0 H LYS A 31 -0.005 10.835 4.542 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.931 12.745 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.039 12.402 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.648 13.466 6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.967 15.157 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.355 14.088 4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.410 14.114 7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.999 15.153 7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.515 15.951 5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.340 16.258 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.649 18.160 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.321 17.524 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.490 17.227 5.455 1.00 0.00 H new ATOM 430 N THR A 32 0.025 14.497 3.303 1.00 0.00 N ATOM 431 CA THR A 32 1.171 15.247 2.803 1.00 0.00 C ATOM 432 C THR A 32 1.055 16.725 3.155 1.00 0.00 C ATOM 433 O THR A 32 -0.043 17.278 3.198 1.00 0.00 O ATOM 434 CB THR A 32 1.312 15.104 1.276 1.00 0.00 C ATOM 435 OG1 THR A 32 0.043 15.306 0.645 1.00 0.00 O ATOM 436 CG2 THR A 32 1.853 13.730 0.908 1.00 0.00 C ATOM 0 H THR A 32 -0.848 15.024 3.323 1.00 0.00 H new ATOM 0 HA THR A 32 2.057 14.830 3.283 1.00 0.00 H new ATOM 0 HB THR A 32 2.015 15.860 0.927 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.069 16.129 0.114 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.944 13.653 -0.175 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.833 13.590 1.365 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.171 12.961 1.270 1.00 0.00 H new ATOM 444 N GLU A 33 2.197 17.360 3.405 1.00 0.00 N ATOM 445 CA GLU A 33 2.222 18.776 3.753 1.00 0.00 C ATOM 446 C GLU A 33 1.668 19.627 2.613 1.00 0.00 C ATOM 447 O GLU A 33 1.068 20.677 2.843 1.00 0.00 O ATOM 448 CB GLU A 33 3.649 19.216 4.086 1.00 0.00 C ATOM 449 CG GLU A 33 3.781 20.708 4.341 1.00 0.00 C ATOM 450 CD GLU A 33 3.419 21.091 5.763 1.00 0.00 C ATOM 451 OE1 GLU A 33 4.194 20.757 6.684 1.00 0.00 O ATOM 452 OE2 GLU A 33 2.361 21.727 5.955 1.00 0.00 O ATOM 0 H GLU A 33 3.115 16.917 3.373 1.00 0.00 H new ATOM 0 HA GLU A 33 1.591 18.920 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.991 18.673 4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.308 18.937 3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.805 21.019 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.137 21.250 3.648 1.00 0.00 H new ATOM 459 N HIS A 34 1.875 19.166 1.384 1.00 0.00 N ATOM 460 CA HIS A 34 1.397 19.883 0.208 1.00 0.00 C ATOM 461 C HIS A 34 0.562 18.970 -0.684 1.00 0.00 C ATOM 462 O HIS A 34 0.778 17.760 -0.751 1.00 0.00 O ATOM 463 CB HIS A 34 2.576 20.449 -0.585 1.00 0.00 C ATOM 464 CG HIS A 34 3.375 21.465 0.173 1.00 0.00 C ATOM 465 ND1 HIS A 34 2.864 22.684 0.566 1.00 0.00 N ATOM 466 CD2 HIS A 34 4.655 21.436 0.612 1.00 0.00 C ATOM 467 CE1 HIS A 34 3.795 23.362 1.212 1.00 0.00 C ATOM 468 NE2 HIS A 34 4.892 22.627 1.254 1.00 0.00 N ATOM 0 H HIS A 34 2.371 18.299 1.177 1.00 0.00 H new ATOM 0 HA HIS A 34 0.767 20.706 0.547 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.232 19.630 -0.880 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.202 20.904 -1.502 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.359 20.627 0.482 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.679 24.349 1.634 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.772 22.900 1.692 1.00 0.00 H new ATOM 477 N PRO A 35 -0.417 19.561 -1.385 1.00 0.00 N ATOM 478 CA PRO A 35 -1.305 18.818 -2.285 1.00 0.00 C ATOM 479 C PRO A 35 -0.582 18.318 -3.530 1.00 0.00 C ATOM 480 O PRO A 35 -0.514 19.014 -4.542 1.00 0.00 O ATOM 481 CB PRO A 35 -2.370 19.851 -2.664 1.00 0.00 C ATOM 482 CG PRO A 35 -1.696 21.169 -2.496 1.00 0.00 C ATOM 483 CD PRO A 35 -0.733 20.999 -1.354 1.00 0.00 C ATOM 0 HA PRO A 35 -1.708 17.923 -1.812 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.712 19.709 -3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.247 19.770 -2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.173 21.459 -3.407 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.421 21.954 -2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.160 21.610 -1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.180 21.292 -0.404 1.00 0.00 H new ATOM 491 N ALA A 36 -0.043 17.106 -3.449 1.00 0.00 N ATOM 492 CA ALA A 36 0.673 16.511 -4.570 1.00 0.00 C ATOM 493 C ALA A 36 -0.195 16.484 -5.824 1.00 0.00 C ATOM 494 O ALA A 36 -1.409 16.298 -5.746 1.00 0.00 O ATOM 495 CB ALA A 36 1.135 15.105 -4.216 1.00 0.00 C ATOM 0 H ALA A 36 -0.089 16.517 -2.618 1.00 0.00 H new ATOM 0 HA ALA A 36 1.548 17.127 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.668 14.673 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.799 15.147 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.269 14.487 -3.979 1.00 0.00 H new ATOM 501 N ALA A 37 0.436 16.673 -6.978 1.00 0.00 N ATOM 502 CA ALA A 37 -0.279 16.669 -8.249 1.00 0.00 C ATOM 503 C ALA A 37 -0.404 15.254 -8.804 1.00 0.00 C ATOM 504 O ALA A 37 -1.333 14.949 -9.553 1.00 0.00 O ATOM 505 CB ALA A 37 0.422 17.572 -9.252 1.00 0.00 C ATOM 0 H ALA A 37 1.440 16.831 -7.059 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.284 17.052 -8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.123 17.559 -10.196 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.453 18.590 -8.865 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.439 17.214 -9.415 1.00 0.00 H new ATOM 511 N THR A 38 0.538 14.392 -8.433 1.00 0.00 N ATOM 512 CA THR A 38 0.534 13.010 -8.896 1.00 0.00 C ATOM 513 C THR A 38 1.040 12.066 -7.811 1.00 0.00 C ATOM 514 O THR A 38 1.919 12.421 -7.026 1.00 0.00 O ATOM 515 CB THR A 38 1.402 12.838 -10.157 1.00 0.00 C ATOM 516 OG1 THR A 38 1.268 11.506 -10.665 1.00 0.00 O ATOM 517 CG2 THR A 38 2.864 13.124 -9.851 1.00 0.00 C ATOM 0 H THR A 38 1.313 14.627 -7.813 1.00 0.00 H new ATOM 0 HA THR A 38 -0.499 12.760 -9.138 1.00 0.00 H new ATOM 0 HB THR A 38 1.059 13.550 -10.908 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.821 11.405 -11.468 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.457 12.996 -10.757 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.967 14.148 -9.491 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.217 12.433 -9.085 1.00 0.00 H new ATOM 525 N VAL A 39 0.481 10.861 -7.774 1.00 0.00 N ATOM 526 CA VAL A 39 0.877 9.864 -6.786 1.00 0.00 C ATOM 527 C VAL A 39 1.155 8.518 -7.445 1.00 0.00 C ATOM 528 O VAL A 39 0.319 7.987 -8.177 1.00 0.00 O ATOM 529 CB VAL A 39 -0.207 9.681 -5.707 1.00 0.00 C ATOM 530 CG1 VAL A 39 0.233 8.651 -4.678 1.00 0.00 C ATOM 531 CG2 VAL A 39 -0.524 11.011 -5.041 1.00 0.00 C ATOM 0 H VAL A 39 -0.248 10.551 -8.417 1.00 0.00 H new ATOM 0 HA VAL A 39 1.789 10.230 -6.315 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.115 9.315 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.545 8.535 -3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.406 7.695 -5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.154 8.984 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.292 10.864 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.377 11.408 -4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.885 11.716 -5.790 1.00 0.00 H new ATOM 541 N THR A 40 2.336 7.968 -7.180 1.00 0.00 N ATOM 542 CA THR A 40 2.726 6.684 -7.748 1.00 0.00 C ATOM 543 C THR A 40 2.948 5.645 -6.655 1.00 0.00 C ATOM 544 O THR A 40 4.011 5.600 -6.035 1.00 0.00 O ATOM 545 CB THR A 40 4.009 6.808 -8.591 1.00 0.00 C ATOM 546 OG1 THR A 40 3.841 7.815 -9.595 1.00 0.00 O ATOM 547 CG2 THR A 40 4.355 5.481 -9.249 1.00 0.00 C ATOM 0 H THR A 40 3.039 8.392 -6.575 1.00 0.00 H new ATOM 0 HA THR A 40 1.908 6.362 -8.392 1.00 0.00 H new ATOM 0 HB THR A 40 4.827 7.090 -7.928 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.662 7.888 -10.125 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.265 5.594 -9.839 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.512 4.724 -8.481 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.536 5.173 -9.900 1.00 0.00 H new ATOM 555 N TRP A 41 1.940 4.811 -6.424 1.00 0.00 N ATOM 556 CA TRP A 41 2.027 3.771 -5.405 1.00 0.00 C ATOM 557 C TRP A 41 2.860 2.594 -5.898 1.00 0.00 C ATOM 558 O TRP A 41 2.809 2.236 -7.075 1.00 0.00 O ATOM 559 CB TRP A 41 0.627 3.294 -5.014 1.00 0.00 C ATOM 560 CG TRP A 41 -0.239 4.384 -4.460 1.00 0.00 C ATOM 561 CD1 TRP A 41 -0.812 5.410 -5.156 1.00 0.00 C ATOM 562 CD2 TRP A 41 -0.628 4.558 -3.093 1.00 0.00 C ATOM 563 NE1 TRP A 41 -1.534 6.210 -4.304 1.00 0.00 N ATOM 564 CE2 TRP A 41 -1.438 5.709 -3.033 1.00 0.00 C ATOM 565 CE3 TRP A 41 -0.374 3.852 -1.914 1.00 0.00 C ATOM 566 CZ2 TRP A 41 -1.992 6.168 -1.841 1.00 0.00 C ATOM 567 CZ3 TRP A 41 -0.924 4.309 -0.732 1.00 0.00 C ATOM 568 CH2 TRP A 41 -1.726 5.458 -0.702 1.00 0.00 C ATOM 0 H TRP A 41 1.054 4.835 -6.928 1.00 0.00 H new ATOM 0 HA TRP A 41 2.517 4.195 -4.528 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.141 2.863 -5.889 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.716 2.499 -4.274 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.712 5.569 -6.220 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.057 7.043 -4.574 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.242 2.965 -1.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.610 7.053 -1.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.733 3.771 0.185 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.142 5.789 0.238 1.00 0.00 H new ATOM 579 N ARG A 42 3.625 1.995 -4.992 1.00 0.00 N ATOM 580 CA ARG A 42 4.470 0.858 -5.337 1.00 0.00 C ATOM 581 C ARG A 42 4.236 -0.304 -4.376 1.00 0.00 C ATOM 582 O ARG A 42 3.970 -0.101 -3.191 1.00 0.00 O ATOM 583 CB ARG A 42 5.945 1.264 -5.312 1.00 0.00 C ATOM 584 CG ARG A 42 6.902 0.095 -5.477 1.00 0.00 C ATOM 585 CD ARG A 42 8.340 0.569 -5.618 1.00 0.00 C ATOM 586 NE ARG A 42 8.608 1.119 -6.944 1.00 0.00 N ATOM 587 CZ ARG A 42 9.822 1.447 -7.372 1.00 0.00 C ATOM 588 NH1 ARG A 42 10.874 1.282 -6.582 1.00 0.00 N ATOM 589 NH2 ARG A 42 9.985 1.942 -8.592 1.00 0.00 N ATOM 0 H ARG A 42 3.677 2.278 -4.013 1.00 0.00 H new ATOM 0 HA ARG A 42 4.206 0.534 -6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.128 1.987 -6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.159 1.767 -4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.819 -0.569 -4.616 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.621 -0.486 -6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.547 1.327 -4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.017 -0.264 -5.428 1.00 0.00 H new ATOM 0 HE ARG A 42 7.820 1.259 -7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.752 0.902 -5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.805 1.535 -6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.178 2.071 -9.202 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.918 2.194 -8.920 1.00 0.00 H new ATOM 603 N LYS A 43 4.337 -1.524 -4.894 1.00 0.00 N ATOM 604 CA LYS A 43 4.137 -2.719 -4.084 1.00 0.00 C ATOM 605 C LYS A 43 5.108 -3.822 -4.493 1.00 0.00 C ATOM 606 O LYS A 43 5.102 -4.275 -5.637 1.00 0.00 O ATOM 607 CB LYS A 43 2.697 -3.217 -4.219 1.00 0.00 C ATOM 608 CG LYS A 43 2.447 -4.550 -3.535 1.00 0.00 C ATOM 609 CD LYS A 43 1.348 -5.336 -4.229 1.00 0.00 C ATOM 610 CE LYS A 43 1.305 -6.779 -3.748 1.00 0.00 C ATOM 611 NZ LYS A 43 2.307 -7.627 -4.450 1.00 0.00 N ATOM 0 H LYS A 43 4.557 -1.710 -5.872 1.00 0.00 H new ATOM 0 HA LYS A 43 4.328 -2.458 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.023 -2.471 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.451 -3.309 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.366 -5.135 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.172 -4.380 -2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.385 -4.860 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.510 -5.315 -5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.491 -6.810 -2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.307 -7.186 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.246 -8.602 -4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.114 -7.618 -5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.262 -7.253 -4.275 1.00 0.00 H new ATOM 670 N GLU A 47 5.360 -1.243 -9.791 1.00 0.00 N ATOM 671 CA GLU A 47 4.573 -0.028 -9.962 1.00 0.00 C ATOM 672 C GLU A 47 3.088 -0.355 -10.092 1.00 0.00 C ATOM 673 O GLU A 47 2.695 -1.197 -10.901 1.00 0.00 O ATOM 674 CB GLU A 47 5.046 0.744 -11.195 1.00 0.00 C ATOM 675 CG GLU A 47 4.611 2.200 -11.206 1.00 0.00 C ATOM 676 CD GLU A 47 4.810 2.858 -12.558 1.00 0.00 C ATOM 677 OE1 GLU A 47 5.976 3.080 -12.945 1.00 0.00 O ATOM 678 OE2 GLU A 47 3.798 3.151 -13.229 1.00 0.00 O ATOM 0 HA GLU A 47 4.715 0.593 -9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.134 0.698 -11.247 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.664 0.253 -12.090 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.559 2.263 -10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.175 2.749 -10.452 1.00 0.00 H new ATOM 685 N LEU A 48 2.268 0.315 -9.290 1.00 0.00 N ATOM 686 CA LEU A 48 0.826 0.096 -9.314 1.00 0.00 C ATOM 687 C LEU A 48 0.141 1.081 -10.256 1.00 0.00 C ATOM 688 O LEU A 48 0.786 1.961 -10.826 1.00 0.00 O ATOM 689 CB LEU A 48 0.246 0.232 -7.905 1.00 0.00 C ATOM 690 CG LEU A 48 0.867 -0.665 -6.834 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.347 -0.288 -5.455 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.580 -2.129 -7.133 1.00 0.00 C ATOM 0 H LEU A 48 2.577 1.014 -8.615 1.00 0.00 H new ATOM 0 HA LEU A 48 0.643 -0.914 -9.679 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.353 1.269 -7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.822 0.022 -7.952 1.00 0.00 H new ATOM 0 HG LEU A 48 1.947 -0.518 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.800 -0.937 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.604 0.749 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.736 -0.406 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.029 -2.753 -6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.498 -2.292 -7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.002 -2.392 -8.103 1.00 0.00 H new ATOM 704 N ARG A 49 -1.170 0.928 -10.413 1.00 0.00 N ATOM 705 CA ARG A 49 -1.942 1.805 -11.284 1.00 0.00 C ATOM 706 C ARG A 49 -3.410 1.832 -10.867 1.00 0.00 C ATOM 707 O ARG A 49 -3.937 0.846 -10.352 1.00 0.00 O ATOM 708 CB ARG A 49 -1.824 1.347 -12.739 1.00 0.00 C ATOM 709 CG ARG A 49 -2.352 -0.058 -12.980 1.00 0.00 C ATOM 710 CD ARG A 49 -1.758 -0.667 -14.241 1.00 0.00 C ATOM 711 NE ARG A 49 -2.559 -0.366 -15.424 1.00 0.00 N ATOM 712 CZ ARG A 49 -2.555 -1.112 -16.523 1.00 0.00 C ATOM 713 NH1 ARG A 49 -1.797 -2.198 -16.589 1.00 0.00 N ATOM 714 NH2 ARG A 49 -3.312 -0.773 -17.559 1.00 0.00 N ATOM 0 H ARG A 49 -1.719 0.205 -9.948 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.537 2.813 -11.193 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.368 2.045 -13.376 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.777 1.389 -13.041 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.115 -0.689 -12.123 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.438 -0.030 -13.065 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.745 -0.290 -14.383 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.682 -1.748 -14.120 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.154 0.462 -15.406 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.215 -2.463 -15.794 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.796 -2.769 -17.434 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.897 0.061 -17.512 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.308 -1.346 -18.403 1.00 0.00 H new ATOM 728 N ALA A 50 -4.063 2.967 -11.091 1.00 0.00 N ATOM 729 CA ALA A 50 -5.469 3.121 -10.740 1.00 0.00 C ATOM 730 C ALA A 50 -6.335 2.110 -11.483 1.00 0.00 C ATOM 731 O ALA A 50 -6.626 2.278 -12.667 1.00 0.00 O ATOM 732 CB ALA A 50 -5.936 4.538 -11.039 1.00 0.00 C ATOM 0 H ALA A 50 -3.641 3.794 -11.514 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.573 2.933 -9.671 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.988 4.638 -10.772 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.345 5.246 -10.458 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.810 4.746 -12.102 1.00 0.00 H new ATOM 738 N SER A 51 -6.744 1.058 -10.780 1.00 0.00 N ATOM 739 CA SER A 51 -7.573 0.017 -11.375 1.00 0.00 C ATOM 740 C SER A 51 -8.570 -0.531 -10.358 1.00 0.00 C ATOM 741 O SER A 51 -8.568 -0.134 -9.194 1.00 0.00 O ATOM 742 CB SER A 51 -6.698 -1.118 -11.910 1.00 0.00 C ATOM 743 OG SER A 51 -7.358 -1.826 -12.945 1.00 0.00 O ATOM 0 H SER A 51 -6.515 0.905 -9.798 1.00 0.00 H new ATOM 0 HA SER A 51 -8.129 0.458 -12.202 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.759 -0.712 -12.285 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.448 -1.802 -11.099 1.00 0.00 H new ATOM 0 HG SER A 51 -6.777 -2.545 -13.271 1.00 0.00 H new ATOM 749 N GLY A 52 -9.422 -1.447 -10.808 1.00 0.00 N ATOM 750 CA GLY A 52 -10.414 -2.035 -9.926 1.00 0.00 C ATOM 751 C GLY A 52 -9.821 -2.484 -8.605 1.00 0.00 C ATOM 752 O GLY A 52 -10.482 -2.428 -7.568 1.00 0.00 O ATOM 0 H GLY A 52 -9.443 -1.793 -11.767 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.205 -1.309 -9.738 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.877 -2.888 -10.422 1.00 0.00 H new ATOM 756 N LYS A 53 -8.570 -2.932 -8.642 1.00 0.00 N ATOM 757 CA LYS A 53 -7.887 -3.394 -7.439 1.00 0.00 C ATOM 758 C LYS A 53 -7.326 -2.217 -6.647 1.00 0.00 C ATOM 759 O LYS A 53 -7.774 -1.935 -5.535 1.00 0.00 O ATOM 760 CB LYS A 53 -6.758 -4.359 -7.807 1.00 0.00 C ATOM 761 CG LYS A 53 -6.245 -5.172 -6.632 1.00 0.00 C ATOM 762 CD LYS A 53 -7.160 -6.347 -6.326 1.00 0.00 C ATOM 763 CE LYS A 53 -6.584 -7.230 -5.229 1.00 0.00 C ATOM 764 NZ LYS A 53 -5.425 -8.030 -5.713 1.00 0.00 N ATOM 0 H LYS A 53 -8.009 -2.985 -9.492 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.614 -3.916 -6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.111 -5.039 -8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.931 -3.791 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.242 -5.538 -6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.166 -4.533 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.139 -5.978 -6.021 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.310 -6.938 -7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.272 -6.609 -4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.359 -7.901 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.146 -8.715 -4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.692 -8.538 -6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.626 -7.396 -5.916 1.00 0.00 H new ATOM 778 N HIS A 54 -6.345 -1.533 -7.226 1.00 0.00 N ATOM 779 CA HIS A 54 -5.725 -0.385 -6.575 1.00 0.00 C ATOM 780 C HIS A 54 -6.313 0.921 -7.099 1.00 0.00 C ATOM 781 O HIS A 54 -5.941 1.392 -8.174 1.00 0.00 O ATOM 782 CB HIS A 54 -4.212 -0.402 -6.797 1.00 0.00 C ATOM 783 CG HIS A 54 -3.604 -1.765 -6.676 1.00 0.00 C ATOM 784 ND1 HIS A 54 -3.435 -2.612 -7.750 1.00 0.00 N ATOM 785 CD2 HIS A 54 -3.121 -2.426 -5.598 1.00 0.00 C ATOM 786 CE1 HIS A 54 -2.877 -3.736 -7.339 1.00 0.00 C ATOM 787 NE2 HIS A 54 -2.676 -3.649 -6.036 1.00 0.00 N ATOM 0 H HIS A 54 -5.962 -1.754 -8.145 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.929 -0.451 -5.506 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.994 -0.003 -7.787 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.740 0.263 -6.074 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.091 -2.060 -4.582 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.627 -4.582 -7.962 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.258 -4.372 -5.451 1.00 0.00 H new ATOM 796 N GLN A 55 -7.233 1.500 -6.334 1.00 0.00 N ATOM 797 CA GLN A 55 -7.874 2.750 -6.723 1.00 0.00 C ATOM 798 C GLN A 55 -7.533 3.866 -5.740 1.00 0.00 C ATOM 799 O GLN A 55 -8.238 4.098 -4.759 1.00 0.00 O ATOM 800 CB GLN A 55 -9.391 2.569 -6.800 1.00 0.00 C ATOM 801 CG GLN A 55 -10.140 3.846 -7.143 1.00 0.00 C ATOM 802 CD GLN A 55 -10.228 4.088 -8.637 1.00 0.00 C ATOM 803 OE1 GLN A 55 -11.129 3.582 -9.307 1.00 0.00 O ATOM 804 NE2 GLN A 55 -9.291 4.865 -9.168 1.00 0.00 N ATOM 0 H GLN A 55 -7.551 1.123 -5.441 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.498 3.030 -7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.620 1.811 -7.549 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.752 2.192 -5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.146 3.795 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.642 4.693 -6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.563 5.264 -8.575 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.300 5.063 -10.169 1.00 0.00 H new ATOM 813 N PRO A 56 -6.425 4.572 -6.008 1.00 0.00 N ATOM 814 CA PRO A 56 -5.965 5.675 -5.159 1.00 0.00 C ATOM 815 C PRO A 56 -6.880 6.892 -5.243 1.00 0.00 C ATOM 816 O PRO A 56 -7.835 6.910 -6.019 1.00 0.00 O ATOM 817 CB PRO A 56 -4.581 6.006 -5.724 1.00 0.00 C ATOM 818 CG PRO A 56 -4.634 5.554 -7.143 1.00 0.00 C ATOM 819 CD PRO A 56 -5.535 4.350 -7.160 1.00 0.00 C ATOM 0 HA PRO A 56 -5.955 5.400 -4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.370 7.073 -5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.795 5.490 -5.173 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.022 6.341 -7.789 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.639 5.302 -7.510 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.095 4.281 -8.093 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.970 3.424 -7.058 1.00 0.00 H new ATOM 827 N SER A 57 -6.580 7.909 -4.440 1.00 0.00 N ATOM 828 CA SER A 57 -7.378 9.129 -4.422 1.00 0.00 C ATOM 829 C SER A 57 -6.655 10.240 -3.667 1.00 0.00 C ATOM 830 O SER A 57 -5.588 10.022 -3.095 1.00 0.00 O ATOM 831 CB SER A 57 -8.741 8.863 -3.779 1.00 0.00 C ATOM 832 OG SER A 57 -9.717 9.770 -4.261 1.00 0.00 O ATOM 0 H SER A 57 -5.791 7.912 -3.794 1.00 0.00 H new ATOM 0 HA SER A 57 -7.527 9.451 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.054 7.841 -3.991 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.660 8.953 -2.696 1.00 0.00 H new ATOM 0 HG SER A 57 -10.579 9.579 -3.837 1.00 0.00 H new ATOM 838 N GLN A 58 -7.245 11.431 -3.671 1.00 0.00 N ATOM 839 CA GLN A 58 -6.657 12.577 -2.988 1.00 0.00 C ATOM 840 C GLN A 58 -7.741 13.509 -2.457 1.00 0.00 C ATOM 841 O GLN A 58 -8.690 13.839 -3.167 1.00 0.00 O ATOM 842 CB GLN A 58 -5.728 13.340 -3.933 1.00 0.00 C ATOM 843 CG GLN A 58 -5.209 14.646 -3.353 1.00 0.00 C ATOM 844 CD GLN A 58 -4.020 15.193 -4.119 1.00 0.00 C ATOM 845 OE1 GLN A 58 -4.110 15.461 -5.317 1.00 0.00 O ATOM 846 NE2 GLN A 58 -2.898 15.361 -3.430 1.00 0.00 N ATOM 0 H GLN A 58 -8.129 11.627 -4.140 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.077 12.206 -2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.881 12.704 -4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.260 13.550 -4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.010 15.385 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.925 14.490 -2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.869 15.126 -2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.065 15.726 -3.893 1.00 0.00 H new ATOM 855 N GLU A 59 -7.592 13.929 -1.205 1.00 0.00 N ATOM 856 CA GLU A 59 -8.560 14.823 -0.579 1.00 0.00 C ATOM 857 C GLU A 59 -7.922 15.596 0.571 1.00 0.00 C ATOM 858 O GLU A 59 -7.296 15.012 1.454 1.00 0.00 O ATOM 859 CB GLU A 59 -9.765 14.030 -0.069 1.00 0.00 C ATOM 860 CG GLU A 59 -10.834 13.802 -1.125 1.00 0.00 C ATOM 861 CD GLU A 59 -11.207 15.073 -1.862 1.00 0.00 C ATOM 862 OE1 GLU A 59 -11.080 16.163 -1.265 1.00 0.00 O ATOM 863 OE2 GLU A 59 -11.625 14.979 -3.035 1.00 0.00 O ATOM 0 H GLU A 59 -6.811 13.665 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.896 15.537 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.423 13.065 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.207 14.559 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.479 13.062 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.724 13.386 -0.652 1.00 0.00 H new ATOM 870 N GLY A 60 -8.087 16.916 0.553 1.00 0.00 N ATOM 871 CA GLY A 60 -7.521 17.748 1.599 1.00 0.00 C ATOM 872 C GLY A 60 -6.168 17.251 2.068 1.00 0.00 C ATOM 873 O GLY A 60 -6.015 16.838 3.218 1.00 0.00 O ATOM 0 H GLY A 60 -8.602 17.423 -0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.422 18.770 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.207 17.778 2.446 1.00 0.00 H new ATOM 877 N LEU A 61 -5.185 17.289 1.176 1.00 0.00 N ATOM 878 CA LEU A 61 -3.837 16.837 1.504 1.00 0.00 C ATOM 879 C LEU A 61 -3.864 15.437 2.109 1.00 0.00 C ATOM 880 O LEU A 61 -2.999 15.077 2.908 1.00 0.00 O ATOM 881 CB LEU A 61 -3.173 17.813 2.477 1.00 0.00 C ATOM 882 CG LEU A 61 -3.255 19.294 2.103 1.00 0.00 C ATOM 883 CD1 LEU A 61 -3.195 20.163 3.349 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.137 19.662 1.139 1.00 0.00 C ATOM 0 H LEU A 61 -5.295 17.628 0.220 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.257 16.803 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.627 17.681 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.122 17.541 2.573 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.209 19.472 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.255 21.213 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.030 19.917 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.257 19.982 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.210 20.719 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.173 19.468 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.226 19.063 0.233 1.00 0.00 H new ATOM 896 N THR A 62 -4.863 14.650 1.722 1.00 0.00 N ATOM 897 CA THR A 62 -5.002 13.289 2.225 1.00 0.00 C ATOM 898 C THR A 62 -5.082 12.285 1.081 1.00 0.00 C ATOM 899 O THR A 62 -6.000 12.336 0.260 1.00 0.00 O ATOM 900 CB THR A 62 -6.255 13.143 3.109 1.00 0.00 C ATOM 901 OG1 THR A 62 -6.459 14.338 3.871 1.00 0.00 O ATOM 902 CG2 THR A 62 -6.119 11.954 4.049 1.00 0.00 C ATOM 0 H THR A 62 -5.588 14.932 1.062 1.00 0.00 H new ATOM 0 HA THR A 62 -4.116 13.082 2.825 1.00 0.00 H new ATOM 0 HB THR A 62 -7.114 12.976 2.459 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.666 15.080 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.016 11.871 4.663 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.993 11.042 3.466 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.251 12.096 4.692 1.00 0.00 H new ATOM 910 N LEU A 63 -4.118 11.374 1.031 1.00 0.00 N ATOM 911 CA LEU A 63 -4.079 10.356 -0.013 1.00 0.00 C ATOM 912 C LEU A 63 -4.337 8.969 0.567 1.00 0.00 C ATOM 913 O LEU A 63 -3.930 8.670 1.690 1.00 0.00 O ATOM 914 CB LEU A 63 -2.726 10.379 -0.726 1.00 0.00 C ATOM 915 CG LEU A 63 -2.268 11.739 -1.254 1.00 0.00 C ATOM 916 CD1 LEU A 63 -0.850 11.652 -1.795 1.00 0.00 C ATOM 917 CD2 LEU A 63 -3.221 12.243 -2.328 1.00 0.00 C ATOM 0 H LEU A 63 -3.352 11.319 1.702 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.866 10.580 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.968 10.005 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.767 9.682 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.276 12.449 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.542 12.629 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.176 11.337 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.815 10.927 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.879 13.212 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.246 11.533 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.221 12.346 -1.908 1.00 0.00 H new ATOM 929 N ARG A 64 -5.014 8.126 -0.205 1.00 0.00 N ATOM 930 CA ARG A 64 -5.326 6.771 0.232 1.00 0.00 C ATOM 931 C ARG A 64 -5.432 5.826 -0.961 1.00 0.00 C ATOM 932 O ARG A 64 -5.900 6.211 -2.033 1.00 0.00 O ATOM 933 CB ARG A 64 -6.633 6.756 1.026 1.00 0.00 C ATOM 934 CG ARG A 64 -7.867 7.001 0.172 1.00 0.00 C ATOM 935 CD ARG A 64 -9.099 7.244 1.030 1.00 0.00 C ATOM 936 NE ARG A 64 -9.795 6.001 1.352 1.00 0.00 N ATOM 937 CZ ARG A 64 -10.542 5.331 0.482 1.00 0.00 C ATOM 938 NH1 ARG A 64 -10.689 5.781 -0.757 1.00 0.00 N ATOM 939 NH2 ARG A 64 -11.145 4.207 0.849 1.00 0.00 N ATOM 0 H ARG A 64 -5.357 8.358 -1.137 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.515 6.428 0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.733 5.793 1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.584 7.517 1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.698 7.861 -0.475 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.038 6.142 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.805 7.745 1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.779 7.915 0.506 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.702 5.627 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.228 6.644 -1.044 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.263 5.264 -1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.035 3.857 1.801 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.718 3.694 0.179 1.00 0.00 H new ATOM 953 N LEU A 65 -4.993 4.587 -0.768 1.00 0.00 N ATOM 954 CA LEU A 65 -5.038 3.585 -1.828 1.00 0.00 C ATOM 955 C LEU A 65 -5.850 2.369 -1.394 1.00 0.00 C ATOM 956 O LEU A 65 -5.359 1.511 -0.659 1.00 0.00 O ATOM 957 CB LEU A 65 -3.621 3.157 -2.212 1.00 0.00 C ATOM 958 CG LEU A 65 -3.513 2.120 -3.331 1.00 0.00 C ATOM 959 CD1 LEU A 65 -3.909 2.732 -4.665 1.00 0.00 C ATOM 960 CD2 LEU A 65 -2.102 1.554 -3.399 1.00 0.00 C ATOM 0 H LEU A 65 -4.602 4.252 0.112 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.524 4.031 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.063 4.045 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.131 2.757 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.200 1.303 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.826 1.980 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.938 3.088 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.247 3.568 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.044 0.818 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.395 2.361 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.855 1.078 -2.450 1.00 0.00 H new ATOM 972 N THR A 66 -7.095 2.299 -1.856 1.00 0.00 N ATOM 973 CA THR A 66 -7.974 1.188 -1.516 1.00 0.00 C ATOM 974 C THR A 66 -7.589 -0.072 -2.283 1.00 0.00 C ATOM 975 O THR A 66 -7.436 -0.044 -3.505 1.00 0.00 O ATOM 976 CB THR A 66 -9.447 1.526 -1.814 1.00 0.00 C ATOM 977 OG1 THR A 66 -9.820 2.730 -1.136 1.00 0.00 O ATOM 978 CG2 THR A 66 -10.362 0.390 -1.381 1.00 0.00 C ATOM 0 H THR A 66 -7.517 2.999 -2.467 1.00 0.00 H new ATOM 0 HA THR A 66 -7.859 1.009 -0.447 1.00 0.00 H new ATOM 0 HB THR A 66 -9.554 1.667 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.698 3.026 -1.454 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.397 0.652 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.095 -0.518 -1.921 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.251 0.221 -0.310 1.00 0.00 H new ATOM 986 N ILE A 67 -7.434 -1.176 -1.559 1.00 0.00 N ATOM 987 CA ILE A 67 -7.069 -2.446 -2.173 1.00 0.00 C ATOM 988 C ILE A 67 -8.039 -3.551 -1.770 1.00 0.00 C ATOM 989 O ILE A 67 -7.909 -4.146 -0.701 1.00 0.00 O ATOM 990 CB ILE A 67 -5.639 -2.868 -1.785 1.00 0.00 C ATOM 991 CG1 ILE A 67 -4.663 -1.712 -2.015 1.00 0.00 C ATOM 992 CG2 ILE A 67 -5.214 -4.093 -2.581 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.327 -1.904 -1.331 1.00 0.00 C ATOM 0 H ILE A 67 -7.556 -1.216 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.117 -2.300 -3.252 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.626 -3.125 -0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.500 -1.593 -3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.116 -0.788 -1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.202 -4.379 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.896 -4.917 -2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.239 -3.862 -3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.686 -1.047 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.478 -1.993 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.853 -2.810 -1.707 1.00 0.00 H new ATOM 1005 N SER A 68 -9.012 -3.821 -2.635 1.00 0.00 N ATOM 1006 CA SER A 68 -10.007 -4.853 -2.369 1.00 0.00 C ATOM 1007 C SER A 68 -9.541 -6.206 -2.899 1.00 0.00 C ATOM 1008 O SER A 68 -8.555 -6.292 -3.630 1.00 0.00 O ATOM 1009 CB SER A 68 -11.346 -4.477 -3.005 1.00 0.00 C ATOM 1010 OG SER A 68 -11.863 -3.285 -2.439 1.00 0.00 O ATOM 0 H SER A 68 -9.132 -3.339 -3.526 1.00 0.00 H new ATOM 0 HA SER A 68 -10.135 -4.930 -1.289 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.218 -4.347 -4.080 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.059 -5.289 -2.865 1.00 0.00 H new ATOM 0 HG SER A 68 -12.718 -3.065 -2.864 1.00 0.00 H new ATOM 1016 N ALA A 69 -10.259 -7.260 -2.525 1.00 0.00 N ATOM 1017 CA ALA A 69 -9.922 -8.608 -2.964 1.00 0.00 C ATOM 1018 C ALA A 69 -8.522 -9.001 -2.505 1.00 0.00 C ATOM 1019 O ALA A 69 -7.726 -9.525 -3.286 1.00 0.00 O ATOM 1020 CB ALA A 69 -10.033 -8.714 -4.478 1.00 0.00 C ATOM 0 H ALA A 69 -11.078 -7.206 -1.919 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.632 -9.299 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.778 -9.726 -4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.054 -8.485 -4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.347 -8.007 -4.944 1.00 0.00 H new ATOM 1026 N LEU A 70 -8.227 -8.744 -1.236 1.00 0.00 N ATOM 1027 CA LEU A 70 -6.921 -9.070 -0.673 1.00 0.00 C ATOM 1028 C LEU A 70 -6.675 -10.575 -0.704 1.00 0.00 C ATOM 1029 O LEU A 70 -7.538 -11.346 -1.124 1.00 0.00 O ATOM 1030 CB LEU A 70 -6.820 -8.556 0.764 1.00 0.00 C ATOM 1031 CG LEU A 70 -7.041 -7.055 0.956 1.00 0.00 C ATOM 1032 CD1 LEU A 70 -7.418 -6.751 2.398 1.00 0.00 C ATOM 1033 CD2 LEU A 70 -5.797 -6.276 0.553 1.00 0.00 C ATOM 0 H LEU A 70 -8.874 -8.311 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.159 -8.583 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.549 -9.091 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.833 -8.810 1.151 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.864 -6.744 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.571 -5.678 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.337 -7.279 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.616 -7.078 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.973 -5.210 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.955 -6.591 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.571 -6.469 -0.496 1.00 0.00 H new ATOM 1045 N GLU A 71 -5.493 -10.986 -0.255 1.00 0.00 N ATOM 1046 CA GLU A 71 -5.135 -12.400 -0.231 1.00 0.00 C ATOM 1047 C GLU A 71 -3.858 -12.624 0.573 1.00 0.00 C ATOM 1048 O GLU A 71 -3.291 -11.686 1.134 1.00 0.00 O ATOM 1049 CB GLU A 71 -4.953 -12.927 -1.656 1.00 0.00 C ATOM 1050 CG GLU A 71 -4.126 -12.011 -2.543 1.00 0.00 C ATOM 1051 CD GLU A 71 -3.969 -12.549 -3.951 1.00 0.00 C ATOM 1052 OE1 GLU A 71 -3.557 -13.720 -4.096 1.00 0.00 O ATOM 1053 OE2 GLU A 71 -4.256 -11.801 -4.909 1.00 0.00 O ATOM 0 H GLU A 71 -4.768 -10.361 0.097 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.947 -12.946 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.476 -13.906 -1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.934 -13.070 -2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.597 -11.029 -2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.140 -11.874 -2.098 1.00 0.00 H new ATOM 1060 N LYS A 72 -3.410 -13.874 0.625 1.00 0.00 N ATOM 1061 CA LYS A 72 -2.200 -14.223 1.359 1.00 0.00 C ATOM 1062 C LYS A 72 -0.959 -14.009 0.497 1.00 0.00 C ATOM 1063 O LYS A 72 0.102 -14.568 0.771 1.00 0.00 O ATOM 1064 CB LYS A 72 -2.264 -15.680 1.825 1.00 0.00 C ATOM 1065 CG LYS A 72 -3.068 -15.875 3.099 1.00 0.00 C ATOM 1066 CD LYS A 72 -2.699 -17.173 3.798 1.00 0.00 C ATOM 1067 CE LYS A 72 -3.610 -17.445 4.986 1.00 0.00 C ATOM 1068 NZ LYS A 72 -3.261 -18.720 5.671 1.00 0.00 N ATOM 0 H LYS A 72 -3.867 -14.662 0.167 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.133 -13.571 2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.701 -16.288 1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.250 -16.047 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.894 -15.036 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.132 -15.878 2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.765 -18.000 3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.664 -17.124 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.538 -16.620 5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.645 -17.486 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.904 -18.870 6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.354 -19.510 5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.281 -18.672 6.016 1.00 0.00 H new ATOM 1082 N ALA A 73 -1.101 -13.196 -0.544 1.00 0.00 N ATOM 1083 CA ALA A 73 0.008 -12.905 -1.444 1.00 0.00 C ATOM 1084 C ALA A 73 0.278 -11.406 -1.517 1.00 0.00 C ATOM 1085 O ALA A 73 1.356 -10.979 -1.929 1.00 0.00 O ATOM 1086 CB ALA A 73 -0.278 -13.460 -2.831 1.00 0.00 C ATOM 0 H ALA A 73 -1.974 -12.727 -0.785 1.00 0.00 H new ATOM 0 HA ALA A 73 0.901 -13.389 -1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.559 -13.235 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.413 -14.540 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.185 -13.003 -3.226 1.00 0.00 H new ATOM 1092 N ASP A 74 -0.708 -10.612 -1.115 1.00 0.00 N ATOM 1093 CA ASP A 74 -0.577 -9.160 -1.134 1.00 0.00 C ATOM 1094 C ASP A 74 0.347 -8.683 -0.018 1.00 0.00 C ATOM 1095 O ASP A 74 0.951 -7.615 -0.113 1.00 0.00 O ATOM 1096 CB ASP A 74 -1.950 -8.501 -0.994 1.00 0.00 C ATOM 1097 CG ASP A 74 -2.000 -7.126 -1.631 1.00 0.00 C ATOM 1098 OD1 ASP A 74 -1.892 -7.044 -2.872 1.00 0.00 O ATOM 1099 OD2 ASP A 74 -2.146 -6.132 -0.888 1.00 0.00 O ATOM 0 H ASP A 74 -1.607 -10.950 -0.772 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.140 -8.872 -2.090 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.705 -9.139 -1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.204 -8.418 0.063 1.00 0.00 H new ATOM 1104 N SER A 75 0.450 -9.481 1.040 1.00 0.00 N ATOM 1105 CA SER A 75 1.296 -9.138 2.176 1.00 0.00 C ATOM 1106 C SER A 75 2.701 -8.761 1.714 1.00 0.00 C ATOM 1107 O SER A 75 3.514 -9.628 1.393 1.00 0.00 O ATOM 1108 CB SER A 75 1.367 -10.309 3.158 1.00 0.00 C ATOM 1109 OG SER A 75 0.130 -10.998 3.221 1.00 0.00 O ATOM 0 H SER A 75 -0.042 -10.369 1.134 1.00 0.00 H new ATOM 0 HA SER A 75 0.855 -8.277 2.679 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.155 -10.997 2.852 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.633 -9.941 4.149 1.00 0.00 H new ATOM 0 HG SER A 75 0.202 -11.743 3.854 1.00 0.00 H new ATOM 1115 N ASP A 76 2.977 -7.462 1.683 1.00 0.00 N ATOM 1116 CA ASP A 76 4.283 -6.969 1.261 1.00 0.00 C ATOM 1117 C ASP A 76 4.493 -5.528 1.716 1.00 0.00 C ATOM 1118 O ASP A 76 3.641 -4.948 2.392 1.00 0.00 O ATOM 1119 CB ASP A 76 4.420 -7.061 -0.259 1.00 0.00 C ATOM 1120 CG ASP A 76 5.855 -7.275 -0.699 1.00 0.00 C ATOM 1121 OD1 ASP A 76 6.582 -6.272 -0.861 1.00 0.00 O ATOM 1122 OD2 ASP A 76 6.252 -8.444 -0.881 1.00 0.00 O ATOM 0 H ASP A 76 2.315 -6.732 1.945 1.00 0.00 H new ATOM 0 HA ASP A 76 5.046 -7.593 1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.804 -7.881 -0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.037 -6.146 -0.711 1.00 0.00 H new ATOM 1127 N THR A 77 5.632 -4.954 1.343 1.00 0.00 N ATOM 1128 CA THR A 77 5.955 -3.582 1.714 1.00 0.00 C ATOM 1129 C THR A 77 5.485 -2.599 0.649 1.00 0.00 C ATOM 1130 O THR A 77 5.973 -2.614 -0.482 1.00 0.00 O ATOM 1131 CB THR A 77 7.469 -3.401 1.933 1.00 0.00 C ATOM 1132 OG1 THR A 77 7.939 -4.337 2.908 1.00 0.00 O ATOM 1133 CG2 THR A 77 7.784 -1.984 2.389 1.00 0.00 C ATOM 0 H THR A 77 6.347 -5.419 0.783 1.00 0.00 H new ATOM 0 HA THR A 77 5.433 -3.376 2.649 1.00 0.00 H new ATOM 0 HB THR A 77 7.975 -3.582 0.984 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.903 -4.216 3.040 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.859 -1.880 2.537 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.452 -1.275 1.630 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.267 -1.780 3.327 1.00 0.00 H new ATOM 1141 N TYR A 78 4.536 -1.746 1.015 1.00 0.00 N ATOM 1142 CA TYR A 78 3.999 -0.756 0.089 1.00 0.00 C ATOM 1143 C TYR A 78 4.757 0.563 0.202 1.00 0.00 C ATOM 1144 O TYR A 78 5.288 0.901 1.260 1.00 0.00 O ATOM 1145 CB TYR A 78 2.511 -0.526 0.361 1.00 0.00 C ATOM 1146 CG TYR A 78 1.607 -1.514 -0.342 1.00 0.00 C ATOM 1147 CD1 TYR A 78 1.643 -2.866 -0.025 1.00 0.00 C ATOM 1148 CD2 TYR A 78 0.719 -1.095 -1.325 1.00 0.00 C ATOM 1149 CE1 TYR A 78 0.820 -3.772 -0.666 1.00 0.00 C ATOM 1150 CE2 TYR A 78 -0.108 -1.993 -1.970 1.00 0.00 C ATOM 1151 CZ TYR A 78 -0.055 -3.330 -1.637 1.00 0.00 C ATOM 1152 OH TYR A 78 -0.876 -4.229 -2.278 1.00 0.00 O ATOM 0 H TYR A 78 4.122 -1.720 1.947 1.00 0.00 H new ATOM 0 HA TYR A 78 4.122 -1.140 -0.924 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.333 -0.584 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.245 0.484 0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.326 -3.215 0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.675 -0.049 -1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.861 -4.820 -0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.793 -1.650 -2.731 1.00 0.00 H new ATOM 0 HH TYR A 78 -1.412 -4.713 -1.615 1.00 0.00 H new ATOM 1162 N THR A 79 4.803 1.308 -0.899 1.00 0.00 N ATOM 1163 CA THR A 79 5.495 2.589 -0.927 1.00 0.00 C ATOM 1164 C THR A 79 4.721 3.616 -1.745 1.00 0.00 C ATOM 1165 O THR A 79 4.591 3.482 -2.963 1.00 0.00 O ATOM 1166 CB THR A 79 6.914 2.449 -1.510 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.717 1.628 -0.654 1.00 0.00 O ATOM 1168 CG2 THR A 79 7.569 3.812 -1.674 1.00 0.00 C ATOM 0 H THR A 79 4.368 1.045 -1.783 1.00 0.00 H new ATOM 0 HA THR A 79 5.566 2.931 0.106 1.00 0.00 H new ATOM 0 HB THR A 79 6.835 1.981 -2.491 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.617 1.543 -1.033 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.570 3.687 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.971 4.424 -2.349 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.636 4.303 -0.703 1.00 0.00 H new ATOM 1176 N CYS A 80 4.208 4.639 -1.071 1.00 0.00 N ATOM 1177 CA CYS A 80 3.446 5.689 -1.737 1.00 0.00 C ATOM 1178 C CYS A 80 4.335 6.885 -2.060 1.00 0.00 C ATOM 1179 O CYS A 80 4.779 7.602 -1.163 1.00 0.00 O ATOM 1180 CB CYS A 80 2.274 6.131 -0.860 1.00 0.00 C ATOM 1181 SG CYS A 80 1.281 7.465 -1.571 1.00 0.00 S ATOM 0 H CYS A 80 4.306 4.764 -0.063 1.00 0.00 H new ATOM 0 HA CYS A 80 3.059 5.285 -2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.629 5.272 -0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 80 2.660 6.455 0.107 1.00 0.00 H new ATOM 0 HG CYS A 80 0.110 7.006 -1.900 1.00 0.00 H new ATOM 1187 N ASP A 81 4.592 7.094 -3.346 1.00 0.00 N ATOM 1188 CA ASP A 81 5.430 8.203 -3.789 1.00 0.00 C ATOM 1189 C ASP A 81 4.579 9.328 -4.370 1.00 0.00 C ATOM 1190 O ASP A 81 3.529 9.081 -4.965 1.00 0.00 O ATOM 1191 CB ASP A 81 6.442 7.722 -4.829 1.00 0.00 C ATOM 1192 CG ASP A 81 6.983 8.856 -5.678 1.00 0.00 C ATOM 1193 OD1 ASP A 81 7.903 9.560 -5.211 1.00 0.00 O ATOM 1194 OD2 ASP A 81 6.487 9.039 -6.809 1.00 0.00 O ATOM 0 H ASP A 81 4.232 6.510 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 81 5.968 8.589 -2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.269 7.224 -4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.971 6.981 -5.475 1.00 0.00 H new ATOM 1199 N ILE A 82 5.038 10.562 -4.193 1.00 0.00 N ATOM 1200 CA ILE A 82 4.318 11.724 -4.700 1.00 0.00 C ATOM 1201 C ILE A 82 5.200 12.555 -5.626 1.00 0.00 C ATOM 1202 O ILE A 82 4.710 13.399 -6.374 1.00 0.00 O ATOM 1203 CB ILE A 82 3.812 12.618 -3.553 1.00 0.00 C ATOM 1204 CG1 ILE A 82 4.964 12.977 -2.612 1.00 0.00 C ATOM 1205 CG2 ILE A 82 2.696 11.920 -2.791 1.00 0.00 C ATOM 1206 CD1 ILE A 82 4.579 13.974 -1.540 1.00 0.00 C ATOM 0 H ILE A 82 5.905 10.783 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 82 3.462 11.346 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 82 3.414 13.540 -3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.331 12.068 -2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.788 13.385 -3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.349 12.564 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.869 11.710 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.070 10.985 -2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.443 14.182 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.240 14.898 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.776 13.560 -0.930 1.00 0.00 H new ATOM 1218 N GLY A 83 6.505 12.308 -5.571 1.00 0.00 N ATOM 1219 CA GLY A 83 7.435 13.040 -6.411 1.00 0.00 C ATOM 1220 C GLY A 83 8.594 13.620 -5.624 1.00 0.00 C ATOM 1221 O GLY A 83 9.690 13.790 -6.157 1.00 0.00 O ATOM 0 H GLY A 83 6.935 11.614 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.821 12.376 -7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.905 13.846 -6.918 1.00 0.00 H new ATOM 1225 N GLN A 84 8.350 13.927 -4.354 1.00 0.00 N ATOM 1226 CA GLN A 84 9.381 14.495 -3.494 1.00 0.00 C ATOM 1227 C GLN A 84 9.710 13.550 -2.343 1.00 0.00 C ATOM 1228 O GLN A 84 10.866 13.428 -1.938 1.00 0.00 O ATOM 1229 CB GLN A 84 8.929 15.849 -2.946 1.00 0.00 C ATOM 1230 CG GLN A 84 8.559 16.851 -4.027 1.00 0.00 C ATOM 1231 CD GLN A 84 9.718 17.169 -4.950 1.00 0.00 C ATOM 1232 OE1 GLN A 84 10.137 16.332 -5.751 1.00 0.00 O ATOM 1233 NE2 GLN A 84 10.245 18.383 -4.843 1.00 0.00 N ATOM 0 H GLN A 84 7.448 13.792 -3.898 1.00 0.00 H new ATOM 0 HA GLN A 84 10.281 14.636 -4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.070 15.698 -2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.727 16.268 -2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.730 16.456 -4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.209 17.771 -3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.867 19.045 -4.166 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.028 18.653 -5.438 1.00 0.00 H new ATOM 1242 N ALA A 85 8.686 12.885 -1.819 1.00 0.00 N ATOM 1243 CA ALA A 85 8.866 11.950 -0.715 1.00 0.00 C ATOM 1244 C ALA A 85 8.081 10.665 -0.950 1.00 0.00 C ATOM 1245 O ALA A 85 7.226 10.602 -1.834 1.00 0.00 O ATOM 1246 CB ALA A 85 8.446 12.596 0.597 1.00 0.00 C ATOM 0 H ALA A 85 7.723 12.976 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 85 9.924 11.692 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.586 11.887 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.055 13.482 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.396 12.883 0.541 1.00 0.00 H new ATOM 1252 N GLN A 86 8.376 9.642 -0.155 1.00 0.00 N ATOM 1253 CA GLN A 86 7.698 8.357 -0.278 1.00 0.00 C ATOM 1254 C GLN A 86 7.465 7.730 1.093 1.00 0.00 C ATOM 1255 O GLN A 86 8.345 7.751 1.953 1.00 0.00 O ATOM 1256 CB GLN A 86 8.516 7.407 -1.154 1.00 0.00 C ATOM 1257 CG GLN A 86 8.922 8.008 -2.490 1.00 0.00 C ATOM 1258 CD GLN A 86 10.126 8.922 -2.377 1.00 0.00 C ATOM 1259 OE1 GLN A 86 10.997 8.719 -1.531 1.00 0.00 O ATOM 1260 NE2 GLN A 86 10.182 9.937 -3.231 1.00 0.00 N ATOM 0 H GLN A 86 9.081 9.678 0.582 1.00 0.00 H new ATOM 0 HA GLN A 86 6.729 8.530 -0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.413 7.108 -0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.936 6.502 -1.334 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.145 7.205 -3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.083 8.568 -2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.438 10.068 -3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.969 10.585 -3.202 1.00 0.00 H new ATOM 1269 N SER A 87 6.274 7.173 1.288 1.00 0.00 N ATOM 1270 CA SER A 87 5.924 6.544 2.556 1.00 0.00 C ATOM 1271 C SER A 87 6.152 5.037 2.496 1.00 0.00 C ATOM 1272 O SER A 87 6.534 4.497 1.458 1.00 0.00 O ATOM 1273 CB SER A 87 4.464 6.837 2.909 1.00 0.00 C ATOM 1274 OG SER A 87 4.168 6.427 4.233 1.00 0.00 O ATOM 0 H SER A 87 5.536 7.145 0.585 1.00 0.00 H new ATOM 0 HA SER A 87 6.568 6.961 3.330 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.268 7.904 2.803 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.807 6.321 2.209 1.00 0.00 H new ATOM 0 HG SER A 87 4.344 7.166 4.852 1.00 0.00 H new ATOM 1280 N ARG A 88 5.915 4.364 3.617 1.00 0.00 N ATOM 1281 CA ARG A 88 6.096 2.919 3.693 1.00 0.00 C ATOM 1282 C ARG A 88 5.253 2.324 4.817 1.00 0.00 C ATOM 1283 O ARG A 88 5.184 2.877 5.914 1.00 0.00 O ATOM 1284 CB ARG A 88 7.571 2.579 3.914 1.00 0.00 C ATOM 1285 CG ARG A 88 8.425 2.737 2.666 1.00 0.00 C ATOM 1286 CD ARG A 88 9.604 1.776 2.673 1.00 0.00 C ATOM 1287 NE ARG A 88 10.616 2.157 3.653 1.00 0.00 N ATOM 1288 CZ ARG A 88 11.829 1.619 3.705 1.00 0.00 C ATOM 1289 NH1 ARG A 88 12.179 0.681 2.836 1.00 0.00 N ATOM 1290 NH2 ARG A 88 12.696 2.019 4.627 1.00 0.00 N ATOM 0 H ARG A 88 5.597 4.796 4.485 1.00 0.00 H new ATOM 0 HA ARG A 88 5.768 2.487 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.969 3.220 4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.649 1.552 4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.814 2.559 1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.790 3.762 2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.249 0.769 2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.054 1.747 1.680 1.00 0.00 H new ATOM 0 HE ARG A 88 10.378 2.876 4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.516 0.371 2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 88 13.111 0.269 2.878 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.431 2.741 5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.627 1.605 4.665 1.00 0.00 H new ATOM 1304 N ALA A 89 4.612 1.194 4.535 1.00 0.00 N ATOM 1305 CA ALA A 89 3.775 0.524 5.522 1.00 0.00 C ATOM 1306 C ALA A 89 3.660 -0.967 5.223 1.00 0.00 C ATOM 1307 O ALA A 89 3.496 -1.367 4.071 1.00 0.00 O ATOM 1308 CB ALA A 89 2.395 1.163 5.565 1.00 0.00 C ATOM 0 H ALA A 89 4.657 0.724 3.631 1.00 0.00 H new ATOM 0 HA ALA A 89 4.246 0.637 6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.781 0.652 6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.489 2.215 5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.925 1.080 4.585 1.00 0.00 H new ATOM 1314 N GLN A 90 3.749 -1.784 6.268 1.00 0.00 N ATOM 1315 CA GLN A 90 3.657 -3.231 6.115 1.00 0.00 C ATOM 1316 C GLN A 90 2.217 -3.705 6.279 1.00 0.00 C ATOM 1317 O GLN A 90 1.517 -3.289 7.204 1.00 0.00 O ATOM 1318 CB GLN A 90 4.556 -3.931 7.136 1.00 0.00 C ATOM 1319 CG GLN A 90 6.035 -3.631 6.951 1.00 0.00 C ATOM 1320 CD GLN A 90 6.926 -4.705 7.541 1.00 0.00 C ATOM 1321 OE1 GLN A 90 7.242 -4.681 8.731 1.00 0.00 O ATOM 1322 NE2 GLN A 90 7.338 -5.656 6.711 1.00 0.00 N ATOM 0 H GLN A 90 3.885 -1.469 7.229 1.00 0.00 H new ATOM 0 HA GLN A 90 3.992 -3.487 5.110 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.255 -3.630 8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.401 -5.008 7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.251 -3.529 5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.269 -2.674 7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.052 -5.638 5.732 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.940 -6.405 7.052 1.00 0.00 H new ATOM 1331 N LEU A 91 1.779 -4.576 5.377 1.00 0.00 N ATOM 1332 CA LEU A 91 0.421 -5.107 5.421 1.00 0.00 C ATOM 1333 C LEU A 91 0.416 -6.549 5.918 1.00 0.00 C ATOM 1334 O LEU A 91 1.387 -7.284 5.734 1.00 0.00 O ATOM 1335 CB LEU A 91 -0.223 -5.031 4.036 1.00 0.00 C ATOM 1336 CG LEU A 91 -1.411 -5.963 3.796 1.00 0.00 C ATOM 1337 CD1 LEU A 91 -2.615 -5.513 4.609 1.00 0.00 C ATOM 1338 CD2 LEU A 91 -1.756 -6.016 2.314 1.00 0.00 C ATOM 0 H LEU A 91 2.345 -4.930 4.606 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.157 -4.500 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.551 -4.006 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.541 -5.249 3.290 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.133 -6.966 4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.451 -6.188 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.364 -5.527 5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.895 -4.501 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.604 -6.684 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.014 -5.016 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.897 -6.386 1.754 1.00 0.00 H new ATOM 1350 N LEU A 92 -0.684 -6.949 6.547 1.00 0.00 N ATOM 1351 CA LEU A 92 -0.817 -8.304 7.069 1.00 0.00 C ATOM 1352 C LEU A 92 -2.187 -8.885 6.733 1.00 0.00 C ATOM 1353 O LEU A 92 -3.200 -8.485 7.307 1.00 0.00 O ATOM 1354 CB LEU A 92 -0.605 -8.312 8.584 1.00 0.00 C ATOM 1355 CG LEU A 92 -0.821 -9.653 9.286 1.00 0.00 C ATOM 1356 CD1 LEU A 92 0.151 -10.696 8.755 1.00 0.00 C ATOM 1357 CD2 LEU A 92 -0.670 -9.498 10.792 1.00 0.00 C ATOM 0 H LEU A 92 -1.497 -6.354 6.708 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.054 -8.924 6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.411 -7.977 8.790 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.279 -7.579 9.029 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.836 -9.992 9.076 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.017 -11.644 9.266 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.006 -10.828 7.684 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.174 -10.364 8.933 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.827 -10.463 11.275 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.332 -9.136 11.022 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.407 -8.784 11.160 1.00 0.00 H new ATOM 1369 N VAL A 93 -2.210 -9.833 5.802 1.00 0.00 N ATOM 1370 CA VAL A 93 -3.455 -10.472 5.392 1.00 0.00 C ATOM 1371 C VAL A 93 -3.685 -11.769 6.158 1.00 0.00 C ATOM 1372 O VAL A 93 -3.279 -12.843 5.715 1.00 0.00 O ATOM 1373 CB VAL A 93 -3.460 -10.773 3.881 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -4.662 -11.628 3.511 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -3.448 -9.479 3.081 1.00 0.00 C ATOM 0 H VAL A 93 -1.381 -10.176 5.317 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.260 -9.772 5.618 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.558 -11.333 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.649 -11.830 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.621 -12.569 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.579 -11.098 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.452 -9.710 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.332 -8.890 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.552 -8.908 3.325 1.00 0.00 H new ATOM 1385 N GLN A 94 -4.339 -11.661 7.310 1.00 0.00 N ATOM 1386 CA GLN A 94 -4.623 -12.827 8.139 1.00 0.00 C ATOM 1387 C GLN A 94 -5.372 -13.891 7.344 1.00 0.00 C ATOM 1388 O GLN A 94 -5.945 -13.606 6.293 1.00 0.00 O ATOM 1389 CB GLN A 94 -5.441 -12.420 9.366 1.00 0.00 C ATOM 1390 CG GLN A 94 -4.638 -11.654 10.405 1.00 0.00 C ATOM 1391 CD GLN A 94 -3.782 -12.561 11.267 1.00 0.00 C ATOM 1392 OE1 GLN A 94 -2.931 -13.294 10.762 1.00 0.00 O ATOM 1393 NE2 GLN A 94 -4.003 -12.517 12.575 1.00 0.00 N ATOM 0 H GLN A 94 -4.682 -10.779 7.690 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.673 -13.247 8.468 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.282 -11.806 9.044 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.857 -13.315 9.828 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.999 -10.928 9.902 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.320 -11.091 11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -4.718 -11.895 12.951 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -3.457 -13.106 13.204 1.00 0.00 H new