USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=21 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 -6:sc= 0.107 USER MOD Set 1.2: A 80 CYS SG : rot 119:sc= 0.442 USER MOD Single : A 9 ASN : amide:sc= -0.224 K(o=-0.22,f=-8.3!) USER MOD Single : A 10 CYS SG : rot 22:sc= 0.0204 USER MOD Single : A 12 THR OG1 : rot -159:sc= -1.13 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 17 ASN : amide:sc= -0.474 K(o=-0.47,f=0.48) USER MOD Single : A 19 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0283 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 113:sc= 0.573 USER MOD Single : A 34 HIS : no HD1:sc= -2.13! X(o=-2.1!,f=-2) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0526 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+ -116:sc= 1.25 (180deg=-0.403) USER MOD Single : A 54 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-0.68) USER MOD Single : A 55 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 57 SER OG : rot -25:sc= 0.459 USER MOD Single : A 58 GLN : amide:sc= -2.46! C(o=-2.5!,f=-2.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.2 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.112 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -30:sc= 0.154 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0693 USER MOD Single : A 84 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.89) USER MOD Single : A 86 GLN : amide:sc= -1.91 X(o=-1.9,f=-1.5) USER MOD Single : A 87 SER OG : rot 110:sc= 0.0718 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.716 K(o=-0.72,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 76 N ASN A 9 8.362 18.697 -1.323 1.00 0.00 N ATOM 77 CA ASN A 9 7.216 18.262 -0.533 1.00 0.00 C ATOM 78 C ASN A 9 7.614 17.154 0.438 1.00 0.00 C ATOM 79 O ASN A 9 8.630 16.484 0.248 1.00 0.00 O ATOM 80 CB ASN A 9 6.093 17.773 -1.450 1.00 0.00 C ATOM 81 CG ASN A 9 4.769 17.641 -0.723 1.00 0.00 C ATOM 82 OD1 ASN A 9 4.647 18.022 0.442 1.00 0.00 O ATOM 83 ND2 ASN A 9 3.769 17.099 -1.408 1.00 0.00 N ATOM 0 HA ASN A 9 6.859 19.115 0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.979 18.467 -2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.369 16.808 -1.875 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.855 16.984 -0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.915 16.797 -2.371 1.00 0.00 H new ATOM 90 N CYS A 10 6.807 16.966 1.476 1.00 0.00 N ATOM 91 CA CYS A 10 7.075 15.939 2.476 1.00 0.00 C ATOM 92 C CYS A 10 5.778 15.287 2.946 1.00 0.00 C ATOM 93 O CYS A 10 4.698 15.594 2.442 1.00 0.00 O ATOM 94 CB CYS A 10 7.818 16.542 3.669 1.00 0.00 C ATOM 95 SG CYS A 10 9.612 16.626 3.455 1.00 0.00 S ATOM 0 H CYS A 10 5.962 17.511 1.647 1.00 0.00 H new ATOM 0 HA CYS A 10 7.700 15.173 2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 10 7.437 17.547 3.851 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.596 15.952 4.558 1.00 0.00 H new ATOM 0 HG CYS A 10 9.899 16.602 2.187 1.00 0.00 H new ATOM 101 N PHE A 11 5.894 14.384 3.914 1.00 0.00 N ATOM 102 CA PHE A 11 4.731 13.685 4.450 1.00 0.00 C ATOM 103 C PHE A 11 4.477 14.087 5.900 1.00 0.00 C ATOM 104 O PHE A 11 5.332 13.904 6.767 1.00 0.00 O ATOM 105 CB PHE A 11 4.931 12.171 4.356 1.00 0.00 C ATOM 106 CG PHE A 11 4.746 11.628 2.968 1.00 0.00 C ATOM 107 CD1 PHE A 11 5.694 11.864 1.986 1.00 0.00 C ATOM 108 CD2 PHE A 11 3.625 10.881 2.646 1.00 0.00 C ATOM 109 CE1 PHE A 11 5.528 11.364 0.707 1.00 0.00 C ATOM 110 CE2 PHE A 11 3.453 10.379 1.370 1.00 0.00 C ATOM 111 CZ PHE A 11 4.405 10.622 0.399 1.00 0.00 C ATOM 0 H PHE A 11 6.781 14.119 4.343 1.00 0.00 H new ATOM 0 HA PHE A 11 3.862 13.967 3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.934 11.922 4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.229 11.677 5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.573 12.445 2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.877 10.689 3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.275 11.554 -0.049 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.575 9.797 1.132 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.271 10.232 -0.599 1.00 0.00 H new ATOM 121 N THR A 12 3.293 14.636 6.157 1.00 0.00 N ATOM 122 CA THR A 12 2.926 15.065 7.500 1.00 0.00 C ATOM 123 C THR A 12 2.473 13.884 8.351 1.00 0.00 C ATOM 124 O THR A 12 2.716 13.847 9.556 1.00 0.00 O ATOM 125 CB THR A 12 1.802 16.118 7.465 1.00 0.00 C ATOM 126 OG1 THR A 12 0.676 15.609 6.742 1.00 0.00 O ATOM 127 CG2 THR A 12 2.287 17.407 6.818 1.00 0.00 C ATOM 0 H THR A 12 2.573 14.794 5.452 1.00 0.00 H new ATOM 0 HA THR A 12 3.817 15.508 7.944 1.00 0.00 H new ATOM 0 HB THR A 12 1.506 16.335 8.491 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.120 16.355 6.435 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.476 18.135 6.805 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.125 17.808 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.608 17.203 5.797 1.00 0.00 H new ATOM 135 N GLU A 13 1.814 12.920 7.714 1.00 0.00 N ATOM 136 CA GLU A 13 1.328 11.737 8.414 1.00 0.00 C ATOM 137 C GLU A 13 1.680 10.467 7.645 1.00 0.00 C ATOM 138 O GLU A 13 0.999 10.100 6.689 1.00 0.00 O ATOM 139 CB GLU A 13 -0.186 11.822 8.615 1.00 0.00 C ATOM 140 CG GLU A 13 -0.592 12.494 9.916 1.00 0.00 C ATOM 141 CD GLU A 13 -2.068 12.837 9.960 1.00 0.00 C ATOM 142 OE1 GLU A 13 -2.878 12.038 9.444 1.00 0.00 O ATOM 143 OE2 GLU A 13 -2.414 13.903 10.511 1.00 0.00 O ATOM 0 H GLU A 13 1.605 12.936 6.716 1.00 0.00 H new ATOM 0 HA GLU A 13 1.815 11.697 9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.624 12.370 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.604 10.816 8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.351 11.836 10.751 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.007 13.404 10.048 1.00 0.00 H new ATOM 150 N GLU A 14 2.749 9.802 8.071 1.00 0.00 N ATOM 151 CA GLU A 14 3.193 8.574 7.422 1.00 0.00 C ATOM 152 C GLU A 14 2.106 7.504 7.481 1.00 0.00 C ATOM 153 O GLU A 14 1.173 7.594 8.280 1.00 0.00 O ATOM 154 CB GLU A 14 4.471 8.054 8.083 1.00 0.00 C ATOM 155 CG GLU A 14 5.733 8.748 7.598 1.00 0.00 C ATOM 156 CD GLU A 14 6.963 8.340 8.385 1.00 0.00 C ATOM 157 OE1 GLU A 14 7.581 7.315 8.030 1.00 0.00 O ATOM 158 OE2 GLU A 14 7.307 9.046 9.356 1.00 0.00 O ATOM 0 H GLU A 14 3.323 10.093 8.862 1.00 0.00 H new ATOM 0 HA GLU A 14 3.400 8.801 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.389 8.180 9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.559 6.984 7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.888 8.517 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.601 9.827 7.672 1.00 0.00 H new ATOM 165 N LEU A 15 2.232 6.493 6.628 1.00 0.00 N ATOM 166 CA LEU A 15 1.261 5.406 6.581 1.00 0.00 C ATOM 167 C LEU A 15 1.310 4.577 7.861 1.00 0.00 C ATOM 168 O LEU A 15 2.156 4.800 8.727 1.00 0.00 O ATOM 169 CB LEU A 15 1.526 4.510 5.370 1.00 0.00 C ATOM 170 CG LEU A 15 1.194 5.113 4.004 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.078 4.508 2.925 1.00 0.00 C ATOM 172 CD2 LEU A 15 -0.276 4.902 3.672 1.00 0.00 C ATOM 0 H LEU A 15 2.997 6.404 5.960 1.00 0.00 H new ATOM 0 HA LEU A 15 0.267 5.844 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.579 4.229 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.950 3.592 5.489 1.00 0.00 H new ATOM 0 HG LEU A 15 1.387 6.185 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.828 4.949 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.124 4.710 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.917 3.431 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.495 5.337 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.494 3.834 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.893 5.383 4.431 1.00 0.00 H new ATOM 184 N THR A 16 0.397 3.617 7.973 1.00 0.00 N ATOM 185 CA THR A 16 0.335 2.754 9.146 1.00 0.00 C ATOM 186 C THR A 16 0.157 1.294 8.745 1.00 0.00 C ATOM 187 O THR A 16 -0.387 0.994 7.684 1.00 0.00 O ATOM 188 CB THR A 16 -0.816 3.162 10.084 1.00 0.00 C ATOM 189 OG1 THR A 16 -0.887 2.259 11.194 1.00 0.00 O ATOM 190 CG2 THR A 16 -2.144 3.165 9.342 1.00 0.00 C ATOM 0 H THR A 16 -0.310 3.418 7.265 1.00 0.00 H new ATOM 0 HA THR A 16 1.281 2.870 9.674 1.00 0.00 H new ATOM 0 HB THR A 16 -0.618 4.170 10.448 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.620 2.526 11.787 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.942 3.456 10.025 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.097 3.874 8.515 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.346 2.167 8.953 1.00 0.00 H new ATOM 198 N ASN A 17 0.618 0.389 9.603 1.00 0.00 N ATOM 199 CA ASN A 17 0.508 -1.041 9.338 1.00 0.00 C ATOM 200 C ASN A 17 -0.951 -1.487 9.354 1.00 0.00 C ATOM 201 O ASN A 17 -1.668 -1.267 10.331 1.00 0.00 O ATOM 202 CB ASN A 17 1.308 -1.835 10.372 1.00 0.00 C ATOM 203 CG ASN A 17 1.270 -1.196 11.747 1.00 0.00 C ATOM 204 OD1 ASN A 17 0.206 -0.826 12.243 1.00 0.00 O ATOM 205 ND2 ASN A 17 2.435 -1.063 12.370 1.00 0.00 N ATOM 0 H ASN A 17 1.071 0.621 10.487 1.00 0.00 H new ATOM 0 HA ASN A 17 0.917 -1.234 8.346 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.911 -2.848 10.434 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.343 -1.918 10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.472 -0.640 13.297 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.293 -1.384 11.921 1.00 0.00 H new ATOM 212 N LEU A 18 -1.383 -2.115 8.266 1.00 0.00 N ATOM 213 CA LEU A 18 -2.757 -2.593 8.155 1.00 0.00 C ATOM 214 C LEU A 18 -2.828 -4.101 8.373 1.00 0.00 C ATOM 215 O LEU A 18 -1.904 -4.833 8.018 1.00 0.00 O ATOM 216 CB LEU A 18 -3.332 -2.237 6.783 1.00 0.00 C ATOM 217 CG LEU A 18 -3.203 -0.773 6.360 1.00 0.00 C ATOM 218 CD1 LEU A 18 -3.822 -0.557 4.988 1.00 0.00 C ATOM 219 CD2 LEU A 18 -3.853 0.139 7.390 1.00 0.00 C ATOM 0 H LEU A 18 -0.803 -2.305 7.449 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.349 -2.104 8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.839 -2.856 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.388 -2.505 6.773 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.143 -0.524 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.721 0.490 4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.311 -1.183 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.878 -0.824 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.752 1.177 7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.910 -0.111 7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.364 0.005 8.355 1.00 0.00 H new ATOM 231 N GLN A 19 -3.931 -4.559 8.956 1.00 0.00 N ATOM 232 CA GLN A 19 -4.122 -5.980 9.220 1.00 0.00 C ATOM 233 C GLN A 19 -5.559 -6.399 8.927 1.00 0.00 C ATOM 234 O GLN A 19 -6.492 -5.974 9.608 1.00 0.00 O ATOM 235 CB GLN A 19 -3.770 -6.303 10.673 1.00 0.00 C ATOM 236 CG GLN A 19 -3.656 -7.792 10.954 1.00 0.00 C ATOM 237 CD GLN A 19 -3.994 -8.142 12.390 1.00 0.00 C ATOM 238 OE1 GLN A 19 -5.156 -8.370 12.729 1.00 0.00 O ATOM 239 NE2 GLN A 19 -2.977 -8.188 13.244 1.00 0.00 N ATOM 0 H GLN A 19 -4.706 -3.967 9.254 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.458 -6.539 8.561 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.826 -5.821 10.925 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.531 -5.876 11.326 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.322 -8.336 10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.641 -8.123 10.732 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.030 -7.992 12.920 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.144 -8.419 14.223 1.00 0.00 H new ATOM 248 N VAL A 20 -5.731 -7.236 7.908 1.00 0.00 N ATOM 249 CA VAL A 20 -7.054 -7.714 7.526 1.00 0.00 C ATOM 250 C VAL A 20 -6.980 -9.111 6.921 1.00 0.00 C ATOM 251 O VAL A 20 -5.984 -9.476 6.296 1.00 0.00 O ATOM 252 CB VAL A 20 -7.723 -6.764 6.515 1.00 0.00 C ATOM 253 CG1 VAL A 20 -9.232 -6.955 6.519 1.00 0.00 C ATOM 254 CG2 VAL A 20 -7.359 -5.319 6.821 1.00 0.00 C ATOM 0 H VAL A 20 -4.970 -7.597 7.332 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.654 -7.746 8.436 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.354 -7.005 5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.687 -6.275 5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.469 -7.984 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.623 -6.743 7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.840 -4.661 6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.698 -5.063 7.825 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.278 -5.196 6.761 1.00 0.00 H new ATOM 264 N GLU A 21 -8.041 -9.889 7.111 1.00 0.00 N ATOM 265 CA GLU A 21 -8.096 -11.248 6.584 1.00 0.00 C ATOM 266 C GLU A 21 -8.167 -11.238 5.060 1.00 0.00 C ATOM 267 O GLU A 21 -8.905 -10.451 4.469 1.00 0.00 O ATOM 268 CB GLU A 21 -9.303 -11.993 7.157 1.00 0.00 C ATOM 269 CG GLU A 21 -9.450 -11.847 8.663 1.00 0.00 C ATOM 270 CD GLU A 21 -10.719 -12.488 9.190 1.00 0.00 C ATOM 271 OE1 GLU A 21 -10.937 -13.687 8.916 1.00 0.00 O ATOM 272 OE2 GLU A 21 -11.494 -11.790 9.877 1.00 0.00 O ATOM 0 H GLU A 21 -8.874 -9.602 7.626 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.184 -11.764 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.209 -11.625 6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.217 -13.051 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.588 -12.299 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.447 -10.789 8.924 1.00 0.00 H new ATOM 279 N GLU A 22 -7.394 -12.118 4.431 1.00 0.00 N ATOM 280 CA GLU A 22 -7.368 -12.209 2.976 1.00 0.00 C ATOM 281 C GLU A 22 -8.754 -11.955 2.391 1.00 0.00 C ATOM 282 O GLU A 22 -9.770 -12.184 3.048 1.00 0.00 O ATOM 283 CB GLU A 22 -6.861 -13.584 2.538 1.00 0.00 C ATOM 284 CG GLU A 22 -7.775 -14.728 2.945 1.00 0.00 C ATOM 285 CD GLU A 22 -7.108 -16.083 2.813 1.00 0.00 C ATOM 286 OE1 GLU A 22 -6.999 -16.583 1.674 1.00 0.00 O ATOM 287 OE2 GLU A 22 -6.695 -16.644 3.849 1.00 0.00 O ATOM 0 H GLU A 22 -6.778 -12.778 4.906 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.689 -11.444 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.745 -13.591 1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.872 -13.750 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.094 -14.583 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.673 -14.708 2.328 1.00 0.00 H new ATOM 294 N LYS A 23 -8.788 -11.481 1.150 1.00 0.00 N ATOM 295 CA LYS A 23 -10.048 -11.196 0.474 1.00 0.00 C ATOM 296 C LYS A 23 -10.830 -10.115 1.213 1.00 0.00 C ATOM 297 O LYS A 23 -12.056 -10.051 1.123 1.00 0.00 O ATOM 298 CB LYS A 23 -10.893 -12.468 0.367 1.00 0.00 C ATOM 299 CG LYS A 23 -10.223 -13.578 -0.425 1.00 0.00 C ATOM 300 CD LYS A 23 -10.489 -13.440 -1.914 1.00 0.00 C ATOM 301 CE LYS A 23 -11.782 -14.134 -2.316 1.00 0.00 C ATOM 302 NZ LYS A 23 -11.904 -14.266 -3.794 1.00 0.00 N ATOM 0 H LYS A 23 -7.957 -11.286 0.592 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.819 -10.834 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.115 -12.832 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.846 -12.223 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.148 -13.558 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.587 -14.545 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.544 -12.384 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.657 -13.866 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.821 -15.123 -1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.632 -13.571 -1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.798 -14.744 -4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.892 -13.321 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.107 -14.825 -4.160 1.00 0.00 H new ATOM 316 N GLY A 24 -10.113 -9.266 1.942 1.00 0.00 N ATOM 317 CA GLY A 24 -10.757 -8.198 2.684 1.00 0.00 C ATOM 318 C GLY A 24 -10.610 -6.850 2.006 1.00 0.00 C ATOM 319 O GLY A 24 -10.691 -6.750 0.781 1.00 0.00 O ATOM 0 H GLY A 24 -9.098 -9.299 2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.816 -8.429 2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.329 -8.146 3.685 1.00 0.00 H new ATOM 323 N THR A 25 -10.395 -5.808 2.804 1.00 0.00 N ATOM 324 CA THR A 25 -10.240 -4.459 2.274 1.00 0.00 C ATOM 325 C THR A 25 -9.212 -3.669 3.076 1.00 0.00 C ATOM 326 O THR A 25 -9.357 -3.492 4.285 1.00 0.00 O ATOM 327 CB THR A 25 -11.577 -3.696 2.281 1.00 0.00 C ATOM 328 OG1 THR A 25 -12.657 -4.596 2.009 1.00 0.00 O ATOM 329 CG2 THR A 25 -11.569 -2.580 1.246 1.00 0.00 C ATOM 0 H THR A 25 -10.324 -5.873 3.819 1.00 0.00 H new ATOM 0 HA THR A 25 -9.894 -4.561 1.245 1.00 0.00 H new ATOM 0 HB THR A 25 -11.712 -3.255 3.268 1.00 0.00 H new ATOM 0 HG1 THR A 25 -13.504 -4.103 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.524 -2.055 1.270 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.765 -1.880 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.413 -3.005 0.254 1.00 0.00 H new ATOM 337 N ALA A 26 -8.174 -3.195 2.394 1.00 0.00 N ATOM 338 CA ALA A 26 -7.124 -2.421 3.043 1.00 0.00 C ATOM 339 C ALA A 26 -6.883 -1.103 2.314 1.00 0.00 C ATOM 340 O ALA A 26 -6.438 -1.089 1.166 1.00 0.00 O ATOM 341 CB ALA A 26 -5.837 -3.230 3.112 1.00 0.00 C ATOM 0 H ALA A 26 -8.038 -3.334 1.393 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.451 -2.191 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.061 -2.639 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.011 -4.142 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.516 -3.489 2.103 1.00 0.00 H new ATOM 347 N VAL A 27 -7.181 0.004 2.988 1.00 0.00 N ATOM 348 CA VAL A 27 -6.996 1.327 2.405 1.00 0.00 C ATOM 349 C VAL A 27 -5.884 2.090 3.114 1.00 0.00 C ATOM 350 O VAL A 27 -6.091 2.656 4.188 1.00 0.00 O ATOM 351 CB VAL A 27 -8.294 2.155 2.469 1.00 0.00 C ATOM 352 CG1 VAL A 27 -8.976 1.975 3.817 1.00 0.00 C ATOM 353 CG2 VAL A 27 -8.002 3.623 2.202 1.00 0.00 C ATOM 0 H VAL A 27 -7.552 0.010 3.938 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.720 1.177 1.361 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.972 1.796 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.891 2.567 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.220 0.923 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.306 2.306 4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.930 4.193 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.306 3.998 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.561 3.732 1.211 1.00 0.00 H new ATOM 363 N PHE A 28 -4.702 2.103 2.507 1.00 0.00 N ATOM 364 CA PHE A 28 -3.555 2.797 3.081 1.00 0.00 C ATOM 365 C PHE A 28 -3.791 4.304 3.111 1.00 0.00 C ATOM 366 O PHE A 28 -3.717 4.977 2.083 1.00 0.00 O ATOM 367 CB PHE A 28 -2.289 2.484 2.279 1.00 0.00 C ATOM 368 CG PHE A 28 -1.585 1.238 2.735 1.00 0.00 C ATOM 369 CD1 PHE A 28 -1.197 1.089 4.057 1.00 0.00 C ATOM 370 CD2 PHE A 28 -1.310 0.215 1.841 1.00 0.00 C ATOM 371 CE1 PHE A 28 -0.549 -0.057 4.479 1.00 0.00 C ATOM 372 CE2 PHE A 28 -0.663 -0.932 2.257 1.00 0.00 C ATOM 373 CZ PHE A 28 -0.281 -1.068 3.578 1.00 0.00 C ATOM 0 H PHE A 28 -4.513 1.641 1.618 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.425 2.446 4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.552 2.379 1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.603 3.328 2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.403 1.877 4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.605 0.316 0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.253 -0.161 5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.456 -1.722 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.226 -1.964 3.905 1.00 0.00 H new ATOM 383 N THR A 29 -4.075 4.829 4.299 1.00 0.00 N ATOM 384 CA THR A 29 -4.324 6.255 4.465 1.00 0.00 C ATOM 385 C THR A 29 -3.042 6.999 4.822 1.00 0.00 C ATOM 386 O THR A 29 -2.259 6.541 5.655 1.00 0.00 O ATOM 387 CB THR A 29 -5.377 6.518 5.558 1.00 0.00 C ATOM 388 OG1 THR A 29 -5.193 5.605 6.646 1.00 0.00 O ATOM 389 CG2 THR A 29 -6.784 6.372 5.000 1.00 0.00 C ATOM 0 H THR A 29 -4.138 4.287 5.161 1.00 0.00 H new ATOM 0 HA THR A 29 -4.701 6.623 3.511 1.00 0.00 H new ATOM 0 HB THR A 29 -5.249 7.540 5.916 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.865 5.780 7.337 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.510 6.562 5.790 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.931 7.088 4.192 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.921 5.360 4.618 1.00 0.00 H new ATOM 397 N CYS A 30 -2.834 8.147 4.187 1.00 0.00 N ATOM 398 CA CYS A 30 -1.645 8.954 4.437 1.00 0.00 C ATOM 399 C CYS A 30 -1.957 10.440 4.294 1.00 0.00 C ATOM 400 O CYS A 30 -3.100 10.825 4.043 1.00 0.00 O ATOM 401 CB CYS A 30 -0.524 8.561 3.475 1.00 0.00 C ATOM 402 SG CYS A 30 -1.055 8.385 1.755 1.00 0.00 S ATOM 0 H CYS A 30 -3.473 8.540 3.496 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.318 8.767 5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.264 9.313 3.526 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.088 7.619 3.808 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.347 8.510 1.685 1.00 0.00 H new ATOM 408 N LYS A 31 -0.935 11.273 4.456 1.00 0.00 N ATOM 409 CA LYS A 31 -1.098 12.718 4.345 1.00 0.00 C ATOM 410 C LYS A 31 0.159 13.365 3.773 1.00 0.00 C ATOM 411 O LYS A 31 1.230 12.758 3.755 1.00 0.00 O ATOM 412 CB LYS A 31 -1.418 13.322 5.714 1.00 0.00 C ATOM 413 CG LYS A 31 -2.286 14.567 5.642 1.00 0.00 C ATOM 414 CD LYS A 31 -2.435 15.222 7.004 1.00 0.00 C ATOM 415 CE LYS A 31 -3.137 16.567 6.902 1.00 0.00 C ATOM 416 NZ LYS A 31 -3.328 17.197 8.238 1.00 0.00 N ATOM 0 H LYS A 31 0.017 10.972 4.665 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.927 12.914 3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.923 12.572 6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.485 13.569 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.847 15.278 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.270 14.304 5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.000 14.565 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.451 15.357 7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.554 17.233 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.106 16.435 6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.810 18.112 8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.906 16.573 8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.402 17.347 8.687 1.00 0.00 H new ATOM 430 N THR A 32 0.022 14.603 3.308 1.00 0.00 N ATOM 431 CA THR A 32 1.146 15.333 2.736 1.00 0.00 C ATOM 432 C THR A 32 1.010 16.832 2.980 1.00 0.00 C ATOM 433 O THR A 32 -0.095 17.372 2.979 1.00 0.00 O ATOM 434 CB THR A 32 1.268 15.081 1.221 1.00 0.00 C ATOM 435 OG1 THR A 32 0.010 15.323 0.581 1.00 0.00 O ATOM 436 CG2 THR A 32 1.717 13.654 0.944 1.00 0.00 C ATOM 0 H THR A 32 -0.857 15.121 3.317 1.00 0.00 H new ATOM 0 HA THR A 32 2.045 14.966 3.232 1.00 0.00 H new ATOM 0 HB THR A 32 2.016 15.765 0.821 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.085 16.106 -0.003 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.796 13.500 -0.132 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.688 13.482 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.989 12.957 1.358 1.00 0.00 H new ATOM 444 N GLU A 33 2.142 17.497 3.190 1.00 0.00 N ATOM 445 CA GLU A 33 2.148 18.935 3.436 1.00 0.00 C ATOM 446 C GLU A 33 1.510 19.688 2.272 1.00 0.00 C ATOM 447 O GLU A 33 0.757 20.642 2.474 1.00 0.00 O ATOM 448 CB GLU A 33 3.578 19.431 3.657 1.00 0.00 C ATOM 449 CG GLU A 33 3.696 20.945 3.703 1.00 0.00 C ATOM 450 CD GLU A 33 4.922 21.412 4.464 1.00 0.00 C ATOM 451 OE1 GLU A 33 4.912 21.330 5.710 1.00 0.00 O ATOM 452 OE2 GLU A 33 5.890 21.858 3.814 1.00 0.00 O ATOM 0 H GLU A 33 3.065 17.064 3.195 1.00 0.00 H new ATOM 0 HA GLU A 33 1.562 19.127 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.957 19.017 4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.214 19.049 2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.735 21.334 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.803 21.361 4.169 1.00 0.00 H new ATOM 459 N HIS A 34 1.816 19.254 1.054 1.00 0.00 N ATOM 460 CA HIS A 34 1.273 19.887 -0.142 1.00 0.00 C ATOM 461 C HIS A 34 0.499 18.879 -0.987 1.00 0.00 C ATOM 462 O HIS A 34 0.787 17.682 -0.987 1.00 0.00 O ATOM 463 CB HIS A 34 2.398 20.507 -0.972 1.00 0.00 C ATOM 464 CG HIS A 34 3.288 21.421 -0.186 1.00 0.00 C ATOM 465 ND1 HIS A 34 2.819 22.518 0.504 1.00 0.00 N ATOM 466 CD2 HIS A 34 4.626 21.393 0.018 1.00 0.00 C ATOM 467 CE1 HIS A 34 3.829 23.128 1.097 1.00 0.00 C ATOM 468 NE2 HIS A 34 4.937 22.465 0.818 1.00 0.00 N ATOM 0 H HIS A 34 2.437 18.466 0.869 1.00 0.00 H new ATOM 0 HA HIS A 34 0.587 20.674 0.173 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.001 19.709 -1.405 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.962 21.063 -1.802 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.319 20.664 -0.375 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.761 24.017 1.706 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.872 22.710 1.144 1.00 0.00 H new ATOM 477 N PRO A 35 -0.508 19.372 -1.723 1.00 0.00 N ATOM 478 CA PRO A 35 -1.344 18.532 -2.584 1.00 0.00 C ATOM 479 C PRO A 35 -0.584 18.008 -3.798 1.00 0.00 C ATOM 480 O PRO A 35 -0.585 18.631 -4.859 1.00 0.00 O ATOM 481 CB PRO A 35 -2.465 19.478 -3.023 1.00 0.00 C ATOM 482 CG PRO A 35 -1.871 20.840 -2.923 1.00 0.00 C ATOM 483 CD PRO A 35 -0.907 20.789 -1.771 1.00 0.00 C ATOM 0 HA PRO A 35 -1.698 17.642 -2.064 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.790 19.261 -4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.340 19.380 -2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.361 21.112 -3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.643 21.591 -2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.050 21.442 -1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.376 21.106 -0.840 1.00 0.00 H new ATOM 491 N ALA A 36 0.065 16.860 -3.634 1.00 0.00 N ATOM 492 CA ALA A 36 0.827 16.252 -4.717 1.00 0.00 C ATOM 493 C ALA A 36 -0.012 16.144 -5.986 1.00 0.00 C ATOM 494 O ALA A 36 -1.083 15.539 -5.984 1.00 0.00 O ATOM 495 CB ALA A 36 1.335 14.880 -4.300 1.00 0.00 C ATOM 0 H ALA A 36 0.078 16.332 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 36 1.681 16.894 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.902 14.438 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.978 14.980 -3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.489 14.237 -4.056 1.00 0.00 H new ATOM 501 N ALA A 37 0.482 16.736 -7.069 1.00 0.00 N ATOM 502 CA ALA A 37 -0.222 16.705 -8.345 1.00 0.00 C ATOM 503 C ALA A 37 -0.297 15.286 -8.896 1.00 0.00 C ATOM 504 O ALA A 37 -1.101 14.994 -9.782 1.00 0.00 O ATOM 505 CB ALA A 37 0.459 17.627 -9.345 1.00 0.00 C ATOM 0 H ALA A 37 1.367 17.243 -7.088 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.241 17.056 -8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.077 17.594 -10.294 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.455 18.647 -8.961 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.488 17.301 -9.498 1.00 0.00 H new ATOM 511 N THR A 38 0.547 14.405 -8.367 1.00 0.00 N ATOM 512 CA THR A 38 0.578 13.016 -8.808 1.00 0.00 C ATOM 513 C THR A 38 1.010 12.090 -7.677 1.00 0.00 C ATOM 514 O THR A 38 1.671 12.516 -6.730 1.00 0.00 O ATOM 515 CB THR A 38 1.530 12.827 -10.004 1.00 0.00 C ATOM 516 OG1 THR A 38 1.500 11.464 -10.443 1.00 0.00 O ATOM 517 CG2 THR A 38 2.953 13.213 -9.629 1.00 0.00 C ATOM 0 H THR A 38 1.218 14.629 -7.632 1.00 0.00 H new ATOM 0 HA THR A 38 -0.435 12.760 -9.117 1.00 0.00 H new ATOM 0 HB THR A 38 1.195 13.476 -10.813 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.106 11.352 -11.205 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.607 13.071 -10.489 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.978 14.259 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.295 12.586 -8.806 1.00 0.00 H new ATOM 525 N VAL A 39 0.634 10.819 -7.782 1.00 0.00 N ATOM 526 CA VAL A 39 0.985 9.831 -6.769 1.00 0.00 C ATOM 527 C VAL A 39 1.144 8.446 -7.384 1.00 0.00 C ATOM 528 O VAL A 39 0.191 7.878 -7.918 1.00 0.00 O ATOM 529 CB VAL A 39 -0.077 9.768 -5.655 1.00 0.00 C ATOM 530 CG1 VAL A 39 0.406 8.899 -4.505 1.00 0.00 C ATOM 531 CG2 VAL A 39 -0.422 11.168 -5.168 1.00 0.00 C ATOM 0 H VAL A 39 0.086 10.450 -8.559 1.00 0.00 H new ATOM 0 HA VAL A 39 1.935 10.144 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.981 9.317 -6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.358 8.867 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.598 7.889 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.325 9.317 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.174 11.105 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.475 11.648 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.814 11.756 -5.998 1.00 0.00 H new ATOM 541 N THR A 40 2.356 7.904 -7.304 1.00 0.00 N ATOM 542 CA THR A 40 2.641 6.584 -7.853 1.00 0.00 C ATOM 543 C THR A 40 2.949 5.583 -6.746 1.00 0.00 C ATOM 544 O THR A 40 4.037 5.595 -6.170 1.00 0.00 O ATOM 545 CB THR A 40 3.827 6.629 -8.835 1.00 0.00 C ATOM 546 OG1 THR A 40 3.554 7.555 -9.892 1.00 0.00 O ATOM 547 CG2 THR A 40 4.098 5.250 -9.418 1.00 0.00 C ATOM 0 H THR A 40 3.156 8.359 -6.864 1.00 0.00 H new ATOM 0 HA THR A 40 1.747 6.264 -8.389 1.00 0.00 H new ATOM 0 HB THR A 40 4.711 6.955 -8.288 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.314 7.579 -10.511 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.939 5.306 -10.109 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.335 4.555 -8.613 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.214 4.900 -9.951 1.00 0.00 H new ATOM 555 N TRP A 41 1.985 4.717 -6.453 1.00 0.00 N ATOM 556 CA TRP A 41 2.155 3.708 -5.414 1.00 0.00 C ATOM 557 C TRP A 41 3.021 2.556 -5.911 1.00 0.00 C ATOM 558 O TRP A 41 3.156 2.343 -7.116 1.00 0.00 O ATOM 559 CB TRP A 41 0.793 3.180 -4.960 1.00 0.00 C ATOM 560 CG TRP A 41 -0.083 4.236 -4.357 1.00 0.00 C ATOM 561 CD1 TRP A 41 -0.770 5.210 -5.023 1.00 0.00 C ATOM 562 CD2 TRP A 41 -0.364 4.424 -2.965 1.00 0.00 C ATOM 563 NE1 TRP A 41 -1.461 5.992 -4.130 1.00 0.00 N ATOM 564 CE2 TRP A 41 -1.229 5.530 -2.861 1.00 0.00 C ATOM 565 CE3 TRP A 41 0.030 3.764 -1.798 1.00 0.00 C ATOM 566 CZ2 TRP A 41 -1.704 5.990 -1.636 1.00 0.00 C ATOM 567 CZ3 TRP A 41 -0.443 4.222 -0.583 1.00 0.00 C ATOM 568 CH2 TRP A 41 -1.303 5.326 -0.509 1.00 0.00 C ATOM 0 H TRP A 41 1.078 4.693 -6.920 1.00 0.00 H new ATOM 0 HA TRP A 41 2.657 4.175 -4.566 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.280 2.737 -5.814 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.945 2.384 -4.231 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.770 5.346 -6.094 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.051 6.788 -4.372 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.692 2.912 -1.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.366 6.841 -1.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.145 3.720 0.326 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.656 5.659 0.456 1.00 0.00 H new ATOM 579 N ARG A 42 3.606 1.815 -4.975 1.00 0.00 N ATOM 580 CA ARG A 42 4.460 0.685 -5.319 1.00 0.00 C ATOM 581 C ARG A 42 4.256 -0.468 -4.341 1.00 0.00 C ATOM 582 O ARG A 42 4.183 -0.264 -3.129 1.00 0.00 O ATOM 583 CB ARG A 42 5.930 1.111 -5.322 1.00 0.00 C ATOM 584 CG ARG A 42 6.902 -0.056 -5.360 1.00 0.00 C ATOM 585 CD ARG A 42 8.313 0.383 -5.001 1.00 0.00 C ATOM 586 NE ARG A 42 8.720 1.576 -5.738 1.00 0.00 N ATOM 587 CZ ARG A 42 9.660 2.415 -5.318 1.00 0.00 C ATOM 588 NH1 ARG A 42 10.288 2.192 -4.172 1.00 0.00 N ATOM 589 NH2 ARG A 42 9.974 3.479 -6.045 1.00 0.00 N ATOM 0 H ARG A 42 3.504 1.977 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 42 4.185 0.345 -6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.112 1.752 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.128 1.709 -4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.572 -0.829 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.900 -0.500 -6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.369 0.581 -3.931 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.010 -0.428 -5.212 1.00 0.00 H new ATOM 0 HE ARG A 42 8.257 1.776 -6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.050 1.374 -3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.010 2.838 -3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.493 3.654 -6.928 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.696 4.123 -5.721 1.00 0.00 H new ATOM 603 N LYS A 43 4.165 -1.681 -4.875 1.00 0.00 N ATOM 604 CA LYS A 43 3.970 -2.868 -4.051 1.00 0.00 C ATOM 605 C LYS A 43 5.009 -3.935 -4.380 1.00 0.00 C ATOM 606 O LYS A 43 5.131 -4.365 -5.526 1.00 0.00 O ATOM 607 CB LYS A 43 2.562 -3.432 -4.257 1.00 0.00 C ATOM 608 CG LYS A 43 2.281 -4.681 -3.440 1.00 0.00 C ATOM 609 CD LYS A 43 1.186 -5.525 -4.070 1.00 0.00 C ATOM 610 CE LYS A 43 1.238 -6.963 -3.578 1.00 0.00 C ATOM 611 NZ LYS A 43 0.471 -7.881 -4.465 1.00 0.00 N ATOM 0 H LYS A 43 4.223 -1.868 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 43 4.090 -2.578 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.831 -2.666 -3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.422 -3.660 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.192 -5.272 -3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.987 -4.397 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.213 -5.094 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.290 -5.507 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.276 -7.292 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.836 -7.015 -2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.531 -8.851 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.525 -7.583 -4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.871 -7.851 -5.425 1.00 0.00 H new ATOM 670 N GLU A 47 5.304 -1.393 -9.590 1.00 0.00 N ATOM 671 CA GLU A 47 4.551 -0.159 -9.785 1.00 0.00 C ATOM 672 C GLU A 47 3.052 -0.439 -9.843 1.00 0.00 C ATOM 673 O GLU A 47 2.592 -1.255 -10.643 1.00 0.00 O ATOM 674 CB GLU A 47 5.000 0.541 -11.069 1.00 0.00 C ATOM 675 CG GLU A 47 4.433 1.942 -11.229 1.00 0.00 C ATOM 676 CD GLU A 47 4.585 2.476 -12.640 1.00 0.00 C ATOM 677 OE1 GLU A 47 3.992 1.882 -13.565 1.00 0.00 O ATOM 678 OE2 GLU A 47 5.297 3.486 -12.819 1.00 0.00 O ATOM 0 HA GLU A 47 4.748 0.494 -8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.089 0.595 -11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.701 -0.063 -11.926 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.377 1.935 -10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.936 2.615 -10.534 1.00 0.00 H new ATOM 685 N LEU A 48 2.296 0.241 -8.989 1.00 0.00 N ATOM 686 CA LEU A 48 0.848 0.066 -8.941 1.00 0.00 C ATOM 687 C LEU A 48 0.148 1.064 -9.858 1.00 0.00 C ATOM 688 O LEU A 48 0.677 2.139 -10.141 1.00 0.00 O ATOM 689 CB LEU A 48 0.342 0.232 -7.507 1.00 0.00 C ATOM 690 CG LEU A 48 0.932 -0.726 -6.472 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.352 -0.445 -5.094 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.677 -2.171 -6.876 1.00 0.00 C ATOM 0 H LEU A 48 2.661 0.919 -8.320 1.00 0.00 H new ATOM 0 HA LEU A 48 0.617 -0.941 -9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.548 1.253 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.741 0.111 -7.509 1.00 0.00 H new ATOM 0 HG LEU A 48 2.009 -0.567 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.783 -1.136 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.586 0.579 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.730 -0.576 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.104 -2.839 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.397 -2.345 -6.947 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.141 -2.366 -7.843 1.00 0.00 H new ATOM 704 N ARG A 49 -1.044 0.701 -10.319 1.00 0.00 N ATOM 705 CA ARG A 49 -1.817 1.564 -11.203 1.00 0.00 C ATOM 706 C ARG A 49 -3.306 1.479 -10.882 1.00 0.00 C ATOM 707 O ARG A 49 -3.822 0.408 -10.562 1.00 0.00 O ATOM 708 CB ARG A 49 -1.577 1.180 -12.664 1.00 0.00 C ATOM 709 CG ARG A 49 -0.114 1.229 -13.074 1.00 0.00 C ATOM 710 CD ARG A 49 0.161 0.325 -14.266 1.00 0.00 C ATOM 711 NE ARG A 49 1.588 0.067 -14.439 1.00 0.00 N ATOM 712 CZ ARG A 49 2.093 -0.619 -15.459 1.00 0.00 C ATOM 713 NH1 ARG A 49 1.290 -1.114 -16.391 1.00 0.00 N ATOM 714 NH2 ARG A 49 3.403 -0.812 -15.547 1.00 0.00 N ATOM 0 H ARG A 49 -1.496 -0.186 -10.095 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.487 2.591 -11.045 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.960 0.174 -12.834 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.148 1.851 -13.306 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.161 2.254 -13.322 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.511 0.926 -12.234 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.365 -0.620 -14.133 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.236 0.786 -15.170 1.00 0.00 H new ATOM 0 HE ARG A 49 2.232 0.433 -13.738 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.283 -0.969 -16.326 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.680 -1.640 -17.173 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.023 -0.434 -14.831 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.789 -1.339 -16.330 1.00 0.00 H new ATOM 728 N ALA A 50 -3.992 2.614 -10.969 1.00 0.00 N ATOM 729 CA ALA A 50 -5.421 2.667 -10.690 1.00 0.00 C ATOM 730 C ALA A 50 -6.157 1.517 -11.370 1.00 0.00 C ATOM 731 O ALA A 50 -6.400 1.552 -12.577 1.00 0.00 O ATOM 732 CB ALA A 50 -5.997 4.003 -11.136 1.00 0.00 C ATOM 0 H ALA A 50 -3.580 3.510 -11.231 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.560 2.566 -9.614 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.065 4.028 -10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.500 4.811 -10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.839 4.128 -12.207 1.00 0.00 H new ATOM 738 N SER A 51 -6.508 0.501 -10.590 1.00 0.00 N ATOM 739 CA SER A 51 -7.212 -0.662 -11.119 1.00 0.00 C ATOM 740 C SER A 51 -8.206 -1.206 -10.098 1.00 0.00 C ATOM 741 O SER A 51 -8.166 -0.845 -8.922 1.00 0.00 O ATOM 742 CB SER A 51 -6.214 -1.754 -11.509 1.00 0.00 C ATOM 743 OG SER A 51 -5.526 -1.416 -12.700 1.00 0.00 O ATOM 0 H SER A 51 -6.317 0.459 -9.589 1.00 0.00 H new ATOM 0 HA SER A 51 -7.764 -0.350 -12.006 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.497 -1.901 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.740 -2.699 -11.645 1.00 0.00 H new ATOM 0 HG SER A 51 -4.893 -2.129 -12.926 1.00 0.00 H new ATOM 749 N GLY A 52 -9.099 -2.077 -10.557 1.00 0.00 N ATOM 750 CA GLY A 52 -10.092 -2.658 -9.672 1.00 0.00 C ATOM 751 C GLY A 52 -9.516 -3.032 -8.320 1.00 0.00 C ATOM 752 O GLY A 52 -10.235 -3.079 -7.322 1.00 0.00 O ATOM 0 H GLY A 52 -9.153 -2.391 -11.526 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.909 -1.950 -9.532 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.517 -3.546 -10.141 1.00 0.00 H new ATOM 756 N LYS A 53 -8.215 -3.300 -8.287 1.00 0.00 N ATOM 757 CA LYS A 53 -7.542 -3.673 -7.048 1.00 0.00 C ATOM 758 C LYS A 53 -7.058 -2.436 -6.299 1.00 0.00 C ATOM 759 O LYS A 53 -7.536 -2.134 -5.205 1.00 0.00 O ATOM 760 CB LYS A 53 -6.359 -4.597 -7.345 1.00 0.00 C ATOM 761 CG LYS A 53 -5.952 -5.463 -6.165 1.00 0.00 C ATOM 762 CD LYS A 53 -6.727 -6.770 -6.139 1.00 0.00 C ATOM 763 CE LYS A 53 -6.157 -7.735 -5.111 1.00 0.00 C ATOM 764 NZ LYS A 53 -6.357 -9.155 -5.512 1.00 0.00 N ATOM 0 H LYS A 53 -7.605 -3.266 -9.104 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.259 -4.201 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.614 -5.241 -8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.506 -3.993 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.884 -5.673 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.124 -4.919 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.774 -6.569 -5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.699 -7.230 -7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.092 -7.541 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.632 -7.560 -4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.981 -9.625 -4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.791 -9.191 -6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.438 -9.642 -5.534 1.00 0.00 H new ATOM 778 N HIS A 54 -6.108 -1.722 -6.895 1.00 0.00 N ATOM 779 CA HIS A 54 -5.561 -0.516 -6.283 1.00 0.00 C ATOM 780 C HIS A 54 -6.205 0.734 -6.877 1.00 0.00 C ATOM 781 O HIS A 54 -5.873 1.146 -7.988 1.00 0.00 O ATOM 782 CB HIS A 54 -4.045 -0.463 -6.476 1.00 0.00 C ATOM 783 CG HIS A 54 -3.360 -1.764 -6.193 1.00 0.00 C ATOM 784 ND1 HIS A 54 -3.089 -2.700 -7.168 1.00 0.00 N ATOM 785 CD2 HIS A 54 -2.888 -2.283 -5.035 1.00 0.00 C ATOM 786 CE1 HIS A 54 -2.482 -3.739 -6.622 1.00 0.00 C ATOM 787 NE2 HIS A 54 -2.347 -3.510 -5.328 1.00 0.00 N ATOM 0 H HIS A 54 -5.701 -1.957 -7.800 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.783 -0.547 -5.216 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.828 -0.163 -7.501 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.631 0.306 -5.824 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.929 -1.818 -4.061 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.152 -4.625 -7.145 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.912 -4.142 -4.656 1.00 0.00 H new ATOM 796 N GLN A 55 -7.128 1.330 -6.129 1.00 0.00 N ATOM 797 CA GLN A 55 -7.818 2.532 -6.583 1.00 0.00 C ATOM 798 C GLN A 55 -7.499 3.718 -5.679 1.00 0.00 C ATOM 799 O GLN A 55 -8.224 4.021 -4.731 1.00 0.00 O ATOM 800 CB GLN A 55 -9.329 2.294 -6.617 1.00 0.00 C ATOM 801 CG GLN A 55 -10.122 3.493 -7.112 1.00 0.00 C ATOM 802 CD GLN A 55 -10.074 3.642 -8.620 1.00 0.00 C ATOM 803 OE1 GLN A 55 -10.976 3.194 -9.329 1.00 0.00 O ATOM 804 NE2 GLN A 55 -9.019 4.274 -9.119 1.00 0.00 N ATOM 0 H GLN A 55 -7.415 1.001 -5.207 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.469 2.763 -7.590 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.540 1.439 -7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.670 2.032 -5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.160 3.394 -6.793 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.731 4.399 -6.649 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.295 4.629 -8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.932 4.405 -10.127 1.00 0.00 H new ATOM 813 N PRO A 56 -6.387 4.406 -5.976 1.00 0.00 N ATOM 814 CA PRO A 56 -5.945 5.570 -5.203 1.00 0.00 C ATOM 815 C PRO A 56 -6.860 6.775 -5.395 1.00 0.00 C ATOM 816 O PRO A 56 -7.783 6.742 -6.210 1.00 0.00 O ATOM 817 CB PRO A 56 -4.552 5.862 -5.764 1.00 0.00 C ATOM 818 CG PRO A 56 -4.576 5.306 -7.146 1.00 0.00 C ATOM 819 CD PRO A 56 -5.475 4.101 -7.092 1.00 0.00 C ATOM 0 HA PRO A 56 -5.954 5.374 -4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.344 6.932 -5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.776 5.391 -5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.952 6.042 -7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.573 5.031 -7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.017 3.962 -8.027 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.911 3.186 -6.911 1.00 0.00 H new ATOM 827 N SER A 57 -6.599 7.837 -4.640 1.00 0.00 N ATOM 828 CA SER A 57 -7.402 9.052 -4.725 1.00 0.00 C ATOM 829 C SER A 57 -6.639 10.248 -4.163 1.00 0.00 C ATOM 830 O SER A 57 -5.623 10.087 -3.488 1.00 0.00 O ATOM 831 CB SER A 57 -8.719 8.872 -3.969 1.00 0.00 C ATOM 832 OG SER A 57 -9.382 7.686 -4.374 1.00 0.00 O ATOM 0 H SER A 57 -5.838 7.881 -3.962 1.00 0.00 H new ATOM 0 HA SER A 57 -7.618 9.242 -5.776 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.525 8.836 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.365 9.732 -4.147 1.00 0.00 H new ATOM 0 HG SER A 57 -9.106 7.451 -5.284 1.00 0.00 H new ATOM 838 N GLN A 58 -7.137 11.446 -4.448 1.00 0.00 N ATOM 839 CA GLN A 58 -6.503 12.670 -3.972 1.00 0.00 C ATOM 840 C GLN A 58 -7.534 13.620 -3.371 1.00 0.00 C ATOM 841 O GLN A 58 -8.426 14.102 -4.068 1.00 0.00 O ATOM 842 CB GLN A 58 -5.759 13.362 -5.115 1.00 0.00 C ATOM 843 CG GLN A 58 -4.656 14.297 -4.646 1.00 0.00 C ATOM 844 CD GLN A 58 -4.311 15.355 -5.675 1.00 0.00 C ATOM 845 OE1 GLN A 58 -4.895 15.399 -6.758 1.00 0.00 O ATOM 846 NE2 GLN A 58 -3.356 16.216 -5.341 1.00 0.00 N ATOM 0 H GLN A 58 -7.978 11.596 -5.006 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.789 12.400 -3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.327 12.604 -5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.474 13.928 -5.713 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.966 14.783 -3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.764 13.714 -4.417 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.898 16.143 -4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.081 16.950 -5.993 1.00 0.00 H new ATOM 855 N GLU A 59 -7.405 13.883 -2.075 1.00 0.00 N ATOM 856 CA GLU A 59 -8.327 14.774 -1.381 1.00 0.00 C ATOM 857 C GLU A 59 -7.570 15.882 -0.655 1.00 0.00 C ATOM 858 O GLU A 59 -7.337 15.803 0.551 1.00 0.00 O ATOM 859 CB GLU A 59 -9.180 13.986 -0.384 1.00 0.00 C ATOM 860 CG GLU A 59 -10.396 13.326 -1.013 1.00 0.00 C ATOM 861 CD GLU A 59 -11.477 14.324 -1.381 1.00 0.00 C ATOM 862 OE1 GLU A 59 -11.186 15.252 -2.165 1.00 0.00 O ATOM 863 OE2 GLU A 59 -12.614 14.177 -0.886 1.00 0.00 O ATOM 0 H GLU A 59 -6.671 13.492 -1.484 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.980 15.231 -2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.562 13.220 0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.510 14.657 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.088 12.783 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.806 12.592 -0.319 1.00 0.00 H new ATOM 870 N GLY A 60 -7.188 16.916 -1.399 1.00 0.00 N ATOM 871 CA GLY A 60 -6.461 18.025 -0.810 1.00 0.00 C ATOM 872 C GLY A 60 -5.099 17.613 -0.287 1.00 0.00 C ATOM 873 O GLY A 60 -4.165 17.403 -1.062 1.00 0.00 O ATOM 0 H GLY A 60 -7.369 17.005 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.338 18.811 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.047 18.448 0.006 1.00 0.00 H new ATOM 877 N LEU A 61 -4.983 17.498 1.032 1.00 0.00 N ATOM 878 CA LEU A 61 -3.725 17.110 1.658 1.00 0.00 C ATOM 879 C LEU A 61 -3.819 15.706 2.246 1.00 0.00 C ATOM 880 O LEU A 61 -2.963 15.288 3.026 1.00 0.00 O ATOM 881 CB LEU A 61 -3.348 18.109 2.754 1.00 0.00 C ATOM 882 CG LEU A 61 -2.821 19.463 2.276 1.00 0.00 C ATOM 883 CD1 LEU A 61 -2.232 20.247 3.438 1.00 0.00 C ATOM 884 CD2 LEU A 61 -1.783 19.273 1.178 1.00 0.00 C ATOM 0 H LEU A 61 -5.745 17.668 1.688 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.951 17.112 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.225 18.283 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.591 17.651 3.390 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.655 20.032 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.862 21.207 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.002 20.413 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.409 19.683 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.419 20.246 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.950 18.685 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.236 18.752 0.335 1.00 0.00 H new ATOM 896 N THR A 62 -4.865 14.979 1.864 1.00 0.00 N ATOM 897 CA THR A 62 -5.071 13.621 2.352 1.00 0.00 C ATOM 898 C THR A 62 -5.210 12.637 1.196 1.00 0.00 C ATOM 899 O THR A 62 -6.079 12.792 0.336 1.00 0.00 O ATOM 900 CB THR A 62 -6.324 13.529 3.244 1.00 0.00 C ATOM 901 OG1 THR A 62 -6.401 14.674 4.100 1.00 0.00 O ATOM 902 CG2 THR A 62 -6.297 12.261 4.084 1.00 0.00 C ATOM 0 H THR A 62 -5.582 15.308 1.218 1.00 0.00 H new ATOM 0 HA THR A 62 -4.193 13.361 2.943 1.00 0.00 H new ATOM 0 HB THR A 62 -7.202 13.500 2.599 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.201 14.609 4.662 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.191 12.217 4.706 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.268 11.391 3.428 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.412 12.265 4.721 1.00 0.00 H new ATOM 910 N LEU A 63 -4.351 11.625 1.181 1.00 0.00 N ATOM 911 CA LEU A 63 -4.379 10.613 0.130 1.00 0.00 C ATOM 912 C LEU A 63 -4.619 9.226 0.715 1.00 0.00 C ATOM 913 O LEU A 63 -4.324 8.975 1.884 1.00 0.00 O ATOM 914 CB LEU A 63 -3.065 10.628 -0.654 1.00 0.00 C ATOM 915 CG LEU A 63 -2.564 12.003 -1.098 1.00 0.00 C ATOM 916 CD1 LEU A 63 -1.059 11.977 -1.318 1.00 0.00 C ATOM 917 CD2 LEU A 63 -3.282 12.451 -2.362 1.00 0.00 C ATOM 0 H LEU A 63 -3.626 11.483 1.884 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.201 10.849 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.294 10.163 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.186 10.004 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.783 12.720 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.720 12.964 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.560 11.702 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.817 11.246 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.912 13.431 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.096 11.733 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.353 12.511 -2.170 1.00 0.00 H new ATOM 929 N ARG A 64 -5.153 8.327 -0.105 1.00 0.00 N ATOM 930 CA ARG A 64 -5.432 6.964 0.331 1.00 0.00 C ATOM 931 C ARG A 64 -5.534 6.021 -0.864 1.00 0.00 C ATOM 932 O ARG A 64 -5.835 6.446 -1.980 1.00 0.00 O ATOM 933 CB ARG A 64 -6.728 6.921 1.142 1.00 0.00 C ATOM 934 CG ARG A 64 -7.978 7.127 0.303 1.00 0.00 C ATOM 935 CD ARG A 64 -9.195 7.402 1.173 1.00 0.00 C ATOM 936 NE ARG A 64 -10.262 8.064 0.428 1.00 0.00 N ATOM 937 CZ ARG A 64 -11.353 8.567 0.997 1.00 0.00 C ATOM 938 NH1 ARG A 64 -11.518 8.484 2.310 1.00 0.00 N ATOM 939 NH2 ARG A 64 -12.280 9.155 0.252 1.00 0.00 N ATOM 0 H ARG A 64 -5.401 8.518 -1.076 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.606 6.634 0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.797 5.960 1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.689 7.689 1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.824 7.960 -0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.158 6.242 -0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.567 6.463 1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.903 8.025 2.018 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.165 8.145 -0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.807 8.033 2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.356 8.871 2.744 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.156 9.221 -0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.117 9.541 0.689 1.00 0.00 H new ATOM 953 N LEU A 65 -5.282 4.739 -0.622 1.00 0.00 N ATOM 954 CA LEU A 65 -5.346 3.735 -1.678 1.00 0.00 C ATOM 955 C LEU A 65 -6.142 2.516 -1.224 1.00 0.00 C ATOM 956 O LEU A 65 -5.637 1.670 -0.485 1.00 0.00 O ATOM 957 CB LEU A 65 -3.935 3.311 -2.092 1.00 0.00 C ATOM 958 CG LEU A 65 -3.848 2.226 -3.165 1.00 0.00 C ATOM 959 CD1 LEU A 65 -4.297 2.770 -4.513 1.00 0.00 C ATOM 960 CD2 LEU A 65 -2.431 1.677 -3.255 1.00 0.00 C ATOM 0 H LEU A 65 -5.032 4.371 0.296 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.853 4.178 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.403 4.192 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.408 2.960 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.515 1.411 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.228 1.983 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.329 3.114 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.656 3.603 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.388 0.906 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.744 2.484 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.145 1.248 -2.294 1.00 0.00 H new ATOM 972 N THR A 66 -7.391 2.431 -1.672 1.00 0.00 N ATOM 973 CA THR A 66 -8.257 1.315 -1.312 1.00 0.00 C ATOM 974 C THR A 66 -7.855 0.045 -2.053 1.00 0.00 C ATOM 975 O THR A 66 -7.734 0.043 -3.279 1.00 0.00 O ATOM 976 CB THR A 66 -9.734 1.629 -1.618 1.00 0.00 C ATOM 977 OG1 THR A 66 -10.088 2.904 -1.070 1.00 0.00 O ATOM 978 CG2 THR A 66 -10.646 0.554 -1.047 1.00 0.00 C ATOM 0 H THR A 66 -7.825 3.121 -2.285 1.00 0.00 H new ATOM 0 HA THR A 66 -8.141 1.158 -0.240 1.00 0.00 H new ATOM 0 HB THR A 66 -9.861 1.652 -2.700 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.028 3.097 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.683 0.798 -1.276 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.394 -0.410 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.515 0.503 0.034 1.00 0.00 H new ATOM 986 N ILE A 67 -7.650 -1.032 -1.303 1.00 0.00 N ATOM 987 CA ILE A 67 -7.263 -2.309 -1.891 1.00 0.00 C ATOM 988 C ILE A 67 -8.236 -3.414 -1.494 1.00 0.00 C ATOM 989 O ILE A 67 -8.400 -3.716 -0.312 1.00 0.00 O ATOM 990 CB ILE A 67 -5.840 -2.716 -1.466 1.00 0.00 C ATOM 991 CG1 ILE A 67 -4.846 -1.603 -1.802 1.00 0.00 C ATOM 992 CG2 ILE A 67 -5.437 -4.017 -2.143 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.562 -1.679 -1.006 1.00 0.00 C ATOM 0 H ILE A 67 -7.745 -1.046 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.287 -2.179 -2.973 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.829 -2.873 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.608 -1.648 -2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.319 -0.638 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.429 -4.292 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.132 -4.806 -1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.461 -3.887 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.905 -0.859 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.788 -1.603 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.066 -2.629 -1.205 1.00 0.00 H new ATOM 1005 N SER A 68 -8.879 -4.014 -2.491 1.00 0.00 N ATOM 1006 CA SER A 68 -9.838 -5.085 -2.246 1.00 0.00 C ATOM 1007 C SER A 68 -9.358 -6.396 -2.863 1.00 0.00 C ATOM 1008 O SER A 68 -8.460 -6.406 -3.705 1.00 0.00 O ATOM 1009 CB SER A 68 -11.208 -4.712 -2.816 1.00 0.00 C ATOM 1010 OG SER A 68 -11.840 -3.726 -2.018 1.00 0.00 O ATOM 0 H SER A 68 -8.753 -3.777 -3.475 1.00 0.00 H new ATOM 0 HA SER A 68 -9.925 -5.221 -1.168 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.093 -4.341 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.838 -5.600 -2.869 1.00 0.00 H new ATOM 0 HG SER A 68 -12.713 -3.503 -2.404 1.00 0.00 H new ATOM 1016 N ALA A 69 -9.964 -7.499 -2.438 1.00 0.00 N ATOM 1017 CA ALA A 69 -9.601 -8.815 -2.950 1.00 0.00 C ATOM 1018 C ALA A 69 -8.198 -9.210 -2.503 1.00 0.00 C ATOM 1019 O ALA A 69 -7.515 -9.983 -3.176 1.00 0.00 O ATOM 1020 CB ALA A 69 -9.699 -8.837 -4.468 1.00 0.00 C ATOM 0 H ALA A 69 -10.708 -7.508 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.303 -9.542 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.425 -9.826 -4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.721 -8.608 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.021 -8.093 -4.887 1.00 0.00 H new ATOM 1026 N LEU A 70 -7.772 -8.675 -1.364 1.00 0.00 N ATOM 1027 CA LEU A 70 -6.449 -8.971 -0.827 1.00 0.00 C ATOM 1028 C LEU A 70 -6.196 -10.475 -0.800 1.00 0.00 C ATOM 1029 O LEU A 70 -7.080 -11.268 -1.122 1.00 0.00 O ATOM 1030 CB LEU A 70 -6.308 -8.393 0.583 1.00 0.00 C ATOM 1031 CG LEU A 70 -6.625 -6.905 0.733 1.00 0.00 C ATOM 1032 CD1 LEU A 70 -7.000 -6.582 2.171 1.00 0.00 C ATOM 1033 CD2 LEU A 70 -5.441 -6.059 0.286 1.00 0.00 C ATOM 0 H LEU A 70 -8.324 -8.034 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.708 -8.508 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.963 -8.953 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.286 -8.562 0.923 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.476 -6.668 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.222 -5.519 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.878 -7.161 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.169 -6.834 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.685 -5.003 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.571 -6.299 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.218 -6.269 -0.760 1.00 0.00 H new ATOM 1045 N GLU A 71 -4.984 -10.859 -0.412 1.00 0.00 N ATOM 1046 CA GLU A 71 -4.616 -12.268 -0.342 1.00 0.00 C ATOM 1047 C GLU A 71 -3.256 -12.443 0.328 1.00 0.00 C ATOM 1048 O GLU A 71 -2.590 -11.466 0.671 1.00 0.00 O ATOM 1049 CB GLU A 71 -4.589 -12.882 -1.744 1.00 0.00 C ATOM 1050 CG GLU A 71 -3.594 -12.216 -2.680 1.00 0.00 C ATOM 1051 CD GLU A 71 -3.300 -13.054 -3.909 1.00 0.00 C ATOM 1052 OE1 GLU A 71 -3.334 -14.298 -3.801 1.00 0.00 O ATOM 1053 OE2 GLU A 71 -3.035 -12.466 -4.979 1.00 0.00 O ATOM 0 H GLU A 71 -4.241 -10.215 -0.142 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.366 -12.783 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.346 -13.942 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.586 -12.816 -2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.985 -11.247 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.665 -12.027 -2.142 1.00 0.00 H new ATOM 1060 N LYS A 72 -2.851 -13.695 0.513 1.00 0.00 N ATOM 1061 CA LYS A 72 -1.571 -14.001 1.141 1.00 0.00 C ATOM 1062 C LYS A 72 -0.431 -13.274 0.434 1.00 0.00 C ATOM 1063 O LYS A 72 0.591 -12.963 1.044 1.00 0.00 O ATOM 1064 CB LYS A 72 -1.318 -15.510 1.122 1.00 0.00 C ATOM 1065 CG LYS A 72 -2.205 -16.288 2.078 1.00 0.00 C ATOM 1066 CD LYS A 72 -1.771 -16.098 3.521 1.00 0.00 C ATOM 1067 CE LYS A 72 -2.699 -16.824 4.483 1.00 0.00 C ATOM 1068 NZ LYS A 72 -2.280 -16.643 5.901 1.00 0.00 N ATOM 0 H LYS A 72 -3.391 -14.515 0.237 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.611 -13.659 2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.474 -15.883 0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.274 -15.698 1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.239 -15.963 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.174 -17.348 1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.753 -16.467 3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.756 -15.035 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.716 -16.454 4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.713 -17.887 4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.937 -17.153 6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.319 -17.019 6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.291 -15.631 6.140 1.00 0.00 H new ATOM 1082 N ALA A 73 -0.615 -13.005 -0.854 1.00 0.00 N ATOM 1083 CA ALA A 73 0.396 -12.312 -1.642 1.00 0.00 C ATOM 1084 C ALA A 73 0.515 -10.851 -1.221 1.00 0.00 C ATOM 1085 O ALA A 73 1.617 -10.336 -1.035 1.00 0.00 O ATOM 1086 CB ALA A 73 0.070 -12.411 -3.125 1.00 0.00 C ATOM 0 H ALA A 73 -1.456 -13.257 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 73 1.356 -12.795 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.834 -11.889 -3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.044 -13.459 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.902 -11.956 -3.315 1.00 0.00 H new ATOM 1092 N ASP A 74 -0.627 -10.189 -1.073 1.00 0.00 N ATOM 1093 CA ASP A 74 -0.652 -8.787 -0.674 1.00 0.00 C ATOM 1094 C ASP A 74 0.413 -8.504 0.381 1.00 0.00 C ATOM 1095 O ASP A 74 1.084 -7.472 0.340 1.00 0.00 O ATOM 1096 CB ASP A 74 -2.033 -8.412 -0.135 1.00 0.00 C ATOM 1097 CG ASP A 74 -3.049 -8.205 -1.241 1.00 0.00 C ATOM 1098 OD1 ASP A 74 -3.640 -9.205 -1.698 1.00 0.00 O ATOM 1099 OD2 ASP A 74 -3.253 -7.042 -1.650 1.00 0.00 O ATOM 0 H ASP A 74 -1.548 -10.601 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.437 -8.181 -1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.384 -9.197 0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.954 -7.500 0.457 1.00 0.00 H new ATOM 1104 N SER A 75 0.562 -9.426 1.327 1.00 0.00 N ATOM 1105 CA SER A 75 1.542 -9.274 2.396 1.00 0.00 C ATOM 1106 C SER A 75 2.892 -8.833 1.837 1.00 0.00 C ATOM 1107 O SER A 75 3.674 -9.652 1.355 1.00 0.00 O ATOM 1108 CB SER A 75 1.700 -10.588 3.163 1.00 0.00 C ATOM 1109 OG SER A 75 0.520 -10.903 3.883 1.00 0.00 O ATOM 0 H SER A 75 0.016 -10.286 1.375 1.00 0.00 H new ATOM 0 HA SER A 75 1.182 -8.504 3.079 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.931 -11.394 2.466 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.541 -10.512 3.852 1.00 0.00 H new ATOM 0 HG SER A 75 0.646 -11.748 4.363 1.00 0.00 H new ATOM 1115 N ASP A 76 3.157 -7.533 1.905 1.00 0.00 N ATOM 1116 CA ASP A 76 4.412 -6.982 1.408 1.00 0.00 C ATOM 1117 C ASP A 76 4.590 -5.537 1.865 1.00 0.00 C ATOM 1118 O ASP A 76 3.741 -4.988 2.568 1.00 0.00 O ATOM 1119 CB ASP A 76 4.456 -7.055 -0.119 1.00 0.00 C ATOM 1120 CG ASP A 76 4.899 -8.416 -0.621 1.00 0.00 C ATOM 1121 OD1 ASP A 76 5.748 -9.046 0.044 1.00 0.00 O ATOM 1122 OD2 ASP A 76 4.396 -8.850 -1.678 1.00 0.00 O ATOM 0 H ASP A 76 2.520 -6.841 2.299 1.00 0.00 H new ATOM 0 HA ASP A 76 5.229 -7.577 1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.468 -6.827 -0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 76 5.137 -6.292 -0.497 1.00 0.00 H new ATOM 1127 N THR A 77 5.700 -4.927 1.462 1.00 0.00 N ATOM 1128 CA THR A 77 5.992 -3.548 1.832 1.00 0.00 C ATOM 1129 C THR A 77 5.549 -2.580 0.741 1.00 0.00 C ATOM 1130 O THR A 77 6.112 -2.565 -0.354 1.00 0.00 O ATOM 1131 CB THR A 77 7.494 -3.344 2.105 1.00 0.00 C ATOM 1132 OG1 THR A 77 7.916 -4.191 3.179 1.00 0.00 O ATOM 1133 CG2 THR A 77 7.790 -1.892 2.450 1.00 0.00 C ATOM 0 H THR A 77 6.412 -5.367 0.879 1.00 0.00 H new ATOM 0 HA THR A 77 5.434 -3.342 2.745 1.00 0.00 H new ATOM 0 HB THR A 77 8.044 -3.604 1.200 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.872 -4.057 3.345 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.857 -1.773 2.639 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.495 -1.253 1.618 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.230 -1.608 3.341 1.00 0.00 H new ATOM 1141 N TYR A 78 4.538 -1.774 1.046 1.00 0.00 N ATOM 1142 CA TYR A 78 4.019 -0.804 0.089 1.00 0.00 C ATOM 1143 C TYR A 78 4.770 0.520 0.194 1.00 0.00 C ATOM 1144 O TYR A 78 5.311 0.860 1.246 1.00 0.00 O ATOM 1145 CB TYR A 78 2.525 -0.576 0.322 1.00 0.00 C ATOM 1146 CG TYR A 78 1.672 -1.787 0.018 1.00 0.00 C ATOM 1147 CD1 TYR A 78 1.697 -2.903 0.846 1.00 0.00 C ATOM 1148 CD2 TYR A 78 0.844 -1.816 -1.097 1.00 0.00 C ATOM 1149 CE1 TYR A 78 0.920 -4.013 0.572 1.00 0.00 C ATOM 1150 CE2 TYR A 78 0.063 -2.921 -1.378 1.00 0.00 C ATOM 1151 CZ TYR A 78 0.105 -4.016 -0.541 1.00 0.00 C ATOM 1152 OH TYR A 78 -0.670 -5.119 -0.818 1.00 0.00 O ATOM 0 H TYR A 78 4.062 -1.773 1.948 1.00 0.00 H new ATOM 0 HA TYR A 78 4.166 -1.206 -0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.368 -0.283 1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.192 0.257 -0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.334 -2.903 1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.810 -0.961 -1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.951 -4.873 1.225 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.577 -2.927 -2.248 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.223 -5.925 -0.484 1.00 0.00 H new ATOM 1162 N THR A 79 4.798 1.266 -0.907 1.00 0.00 N ATOM 1163 CA THR A 79 5.482 2.552 -0.941 1.00 0.00 C ATOM 1164 C THR A 79 4.675 3.583 -1.723 1.00 0.00 C ATOM 1165 O THR A 79 4.489 3.451 -2.933 1.00 0.00 O ATOM 1166 CB THR A 79 6.882 2.428 -1.571 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.756 1.718 -0.687 1.00 0.00 O ATOM 1168 CG2 THR A 79 7.463 3.801 -1.873 1.00 0.00 C ATOM 0 H THR A 79 4.355 1.001 -1.786 1.00 0.00 H new ATOM 0 HA THR A 79 5.585 2.882 0.093 1.00 0.00 H new ATOM 0 HB THR A 79 6.788 1.877 -2.507 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.643 1.642 -1.096 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.452 3.688 -2.317 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.810 4.327 -2.570 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.544 4.373 -0.949 1.00 0.00 H new ATOM 1176 N CYS A 80 4.199 4.607 -1.024 1.00 0.00 N ATOM 1177 CA CYS A 80 3.411 5.662 -1.654 1.00 0.00 C ATOM 1178 C CYS A 80 4.283 6.868 -1.984 1.00 0.00 C ATOM 1179 O CYS A 80 4.638 7.651 -1.102 1.00 0.00 O ATOM 1180 CB CYS A 80 2.261 6.083 -0.738 1.00 0.00 C ATOM 1181 SG CYS A 80 1.114 7.262 -1.489 1.00 0.00 S ATOM 0 H CYS A 80 4.344 4.730 -0.022 1.00 0.00 H new ATOM 0 HA CYS A 80 3.000 5.269 -2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.706 5.194 -0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 80 2.675 6.523 0.169 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.074 6.737 -1.545 1.00 0.00 H new ATOM 1187 N ASP A 81 4.627 7.012 -3.259 1.00 0.00 N ATOM 1188 CA ASP A 81 5.459 8.123 -3.706 1.00 0.00 C ATOM 1189 C ASP A 81 4.600 9.255 -4.263 1.00 0.00 C ATOM 1190 O ASP A 81 3.563 9.014 -4.881 1.00 0.00 O ATOM 1191 CB ASP A 81 6.451 7.650 -4.769 1.00 0.00 C ATOM 1192 CG ASP A 81 7.043 8.799 -5.562 1.00 0.00 C ATOM 1193 OD1 ASP A 81 8.074 9.353 -5.125 1.00 0.00 O ATOM 1194 OD2 ASP A 81 6.476 9.144 -6.619 1.00 0.00 O ATOM 0 H ASP A 81 4.342 6.373 -4.001 1.00 0.00 H new ATOM 0 HA ASP A 81 6.012 8.499 -2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.255 7.092 -4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.949 6.963 -5.450 1.00 0.00 H new ATOM 1199 N ILE A 82 5.039 10.489 -4.038 1.00 0.00 N ATOM 1200 CA ILE A 82 4.310 11.657 -4.517 1.00 0.00 C ATOM 1201 C ILE A 82 5.126 12.429 -5.549 1.00 0.00 C ATOM 1202 O ILE A 82 4.572 13.076 -6.436 1.00 0.00 O ATOM 1203 CB ILE A 82 3.940 12.603 -3.360 1.00 0.00 C ATOM 1204 CG1 ILE A 82 5.161 12.865 -2.475 1.00 0.00 C ATOM 1205 CG2 ILE A 82 2.801 12.017 -2.539 1.00 0.00 C ATOM 1206 CD1 ILE A 82 5.002 14.061 -1.563 1.00 0.00 C ATOM 0 H ILE A 82 5.895 10.706 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 82 3.395 11.289 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 82 3.608 13.553 -3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.357 11.980 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.034 13.016 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.551 12.698 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.928 11.877 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.107 11.055 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.905 14.186 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.837 14.956 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.149 13.904 -0.902 1.00 0.00 H new ATOM 1218 N GLY A 83 6.448 12.354 -5.426 1.00 0.00 N ATOM 1219 CA GLY A 83 7.320 13.049 -6.356 1.00 0.00 C ATOM 1220 C GLY A 83 8.603 13.522 -5.703 1.00 0.00 C ATOM 1221 O GLY A 83 9.648 13.587 -6.351 1.00 0.00 O ATOM 0 H GLY A 83 6.931 11.825 -4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.562 12.387 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.791 13.906 -6.774 1.00 0.00 H new ATOM 1225 N GLN A 84 8.525 13.854 -4.419 1.00 0.00 N ATOM 1226 CA GLN A 84 9.690 14.327 -3.680 1.00 0.00 C ATOM 1227 C GLN A 84 9.985 13.419 -2.491 1.00 0.00 C ATOM 1228 O GLN A 84 11.129 13.305 -2.053 1.00 0.00 O ATOM 1229 CB GLN A 84 9.468 15.762 -3.199 1.00 0.00 C ATOM 1230 CG GLN A 84 10.755 16.551 -3.025 1.00 0.00 C ATOM 1231 CD GLN A 84 11.483 16.775 -4.336 1.00 0.00 C ATOM 1232 OE1 GLN A 84 10.866 16.837 -5.400 1.00 0.00 O ATOM 1233 NE2 GLN A 84 12.804 16.899 -4.266 1.00 0.00 N ATOM 0 H GLN A 84 7.668 13.804 -3.868 1.00 0.00 H new ATOM 0 HA GLN A 84 10.548 14.306 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.827 16.280 -3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.934 15.739 -2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.527 17.515 -2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.411 16.021 -2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.275 16.841 -3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.348 17.052 -5.115 1.00 0.00 H new ATOM 1242 N ALA A 85 8.945 12.775 -1.972 1.00 0.00 N ATOM 1243 CA ALA A 85 9.093 11.876 -0.834 1.00 0.00 C ATOM 1244 C ALA A 85 8.327 10.576 -1.058 1.00 0.00 C ATOM 1245 O ALA A 85 7.500 10.481 -1.964 1.00 0.00 O ATOM 1246 CB ALA A 85 8.619 12.556 0.441 1.00 0.00 C ATOM 0 H ALA A 85 7.990 12.859 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 85 10.150 11.632 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.735 11.873 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.212 13.453 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.569 12.830 0.339 1.00 0.00 H new ATOM 1252 N GLN A 86 8.610 9.577 -0.228 1.00 0.00 N ATOM 1253 CA GLN A 86 7.948 8.283 -0.337 1.00 0.00 C ATOM 1254 C GLN A 86 7.776 7.641 1.036 1.00 0.00 C ATOM 1255 O GLN A 86 8.712 7.601 1.834 1.00 0.00 O ATOM 1256 CB GLN A 86 8.748 7.353 -1.251 1.00 0.00 C ATOM 1257 CG GLN A 86 8.957 7.908 -2.651 1.00 0.00 C ATOM 1258 CD GLN A 86 10.216 8.745 -2.765 1.00 0.00 C ATOM 1259 OE1 GLN A 86 11.304 8.305 -2.391 1.00 0.00 O ATOM 1260 NE2 GLN A 86 10.075 9.960 -3.283 1.00 0.00 N ATOM 0 H GLN A 86 9.293 9.639 0.527 1.00 0.00 H new ATOM 0 HA GLN A 86 6.960 8.444 -0.768 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.720 7.159 -0.797 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.232 6.395 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.009 7.083 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.095 8.515 -2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.155 10.284 -3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.887 10.569 -3.384 1.00 0.00 H new ATOM 1269 N SER A 87 6.574 7.142 1.304 1.00 0.00 N ATOM 1270 CA SER A 87 6.278 6.506 2.582 1.00 0.00 C ATOM 1271 C SER A 87 6.399 4.989 2.475 1.00 0.00 C ATOM 1272 O SER A 87 6.691 4.452 1.406 1.00 0.00 O ATOM 1273 CB SER A 87 4.873 6.885 3.052 1.00 0.00 C ATOM 1274 OG SER A 87 4.662 6.495 4.397 1.00 0.00 O ATOM 0 H SER A 87 5.789 7.166 0.653 1.00 0.00 H new ATOM 0 HA SER A 87 7.005 6.861 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.732 7.962 2.956 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.131 6.408 2.411 1.00 0.00 H new ATOM 0 HG SER A 87 4.620 7.292 4.966 1.00 0.00 H new ATOM 1280 N ARG A 88 6.172 4.303 3.591 1.00 0.00 N ATOM 1281 CA ARG A 88 6.256 2.848 3.624 1.00 0.00 C ATOM 1282 C ARG A 88 5.362 2.276 4.720 1.00 0.00 C ATOM 1283 O ARG A 88 5.325 2.793 5.837 1.00 0.00 O ATOM 1284 CB ARG A 88 7.702 2.404 3.847 1.00 0.00 C ATOM 1285 CG ARG A 88 8.574 2.521 2.607 1.00 0.00 C ATOM 1286 CD ARG A 88 9.799 1.625 2.701 1.00 0.00 C ATOM 1287 NE ARG A 88 10.801 1.961 1.692 1.00 0.00 N ATOM 1288 CZ ARG A 88 12.090 1.661 1.809 1.00 0.00 C ATOM 1289 NH1 ARG A 88 12.531 1.024 2.884 1.00 0.00 N ATOM 1290 NH2 ARG A 88 12.940 2.000 0.848 1.00 0.00 N ATOM 0 H ARG A 88 5.929 4.732 4.484 1.00 0.00 H new ATOM 0 HA ARG A 88 5.911 2.468 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.138 3.004 4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.707 1.369 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.992 2.253 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.888 3.557 2.478 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.239 1.716 3.694 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.497 0.585 2.580 1.00 0.00 H new ATOM 0 HE ARG A 88 10.494 2.452 0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.880 0.763 3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 88 13.521 0.795 2.971 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.604 2.491 0.020 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.930 1.770 0.938 1.00 0.00 H new ATOM 1304 N ALA A 89 4.643 1.208 4.394 1.00 0.00 N ATOM 1305 CA ALA A 89 3.751 0.565 5.351 1.00 0.00 C ATOM 1306 C ALA A 89 3.746 -0.948 5.167 1.00 0.00 C ATOM 1307 O ALA A 89 3.859 -1.446 4.047 1.00 0.00 O ATOM 1308 CB ALA A 89 2.341 1.120 5.213 1.00 0.00 C ATOM 0 H ALA A 89 4.661 0.769 3.473 1.00 0.00 H new ATOM 0 HA ALA A 89 4.119 0.781 6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.685 0.631 5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.352 2.193 5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.974 0.934 4.204 1.00 0.00 H new ATOM 1314 N GLN A 90 3.615 -1.674 6.273 1.00 0.00 N ATOM 1315 CA GLN A 90 3.597 -3.131 6.232 1.00 0.00 C ATOM 1316 C GLN A 90 2.173 -3.662 6.363 1.00 0.00 C ATOM 1317 O GLN A 90 1.444 -3.293 7.284 1.00 0.00 O ATOM 1318 CB GLN A 90 4.473 -3.705 7.348 1.00 0.00 C ATOM 1319 CG GLN A 90 5.938 -3.316 7.232 1.00 0.00 C ATOM 1320 CD GLN A 90 6.848 -4.227 8.031 1.00 0.00 C ATOM 1321 OE1 GLN A 90 6.824 -4.223 9.263 1.00 0.00 O ATOM 1322 NE2 GLN A 90 7.658 -5.014 7.334 1.00 0.00 N ATOM 0 H GLN A 90 3.520 -1.277 7.208 1.00 0.00 H new ATOM 0 HA GLN A 90 3.996 -3.447 5.268 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.090 -3.365 8.310 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.392 -4.792 7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.235 -3.341 6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.066 -2.289 7.575 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.645 -4.985 6.315 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.294 -5.648 7.818 1.00 0.00 H new ATOM 1331 N LEU A 91 1.784 -4.530 5.436 1.00 0.00 N ATOM 1332 CA LEU A 91 0.446 -5.113 5.447 1.00 0.00 C ATOM 1333 C LEU A 91 0.485 -6.557 5.936 1.00 0.00 C ATOM 1334 O LEU A 91 1.499 -7.243 5.800 1.00 0.00 O ATOM 1335 CB LEU A 91 -0.169 -5.052 4.048 1.00 0.00 C ATOM 1336 CG LEU A 91 -1.378 -5.958 3.807 1.00 0.00 C ATOM 1337 CD1 LEU A 91 -2.518 -5.587 4.742 1.00 0.00 C ATOM 1338 CD2 LEU A 91 -1.827 -5.873 2.355 1.00 0.00 C ATOM 0 H LEU A 91 2.375 -4.846 4.667 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.171 -4.534 6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.466 -4.022 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.603 -5.308 3.322 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.084 -6.987 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.369 -6.242 4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.192 -5.700 5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.811 -4.552 4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.688 -6.524 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.103 -4.845 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.013 -6.189 1.703 1.00 0.00 H new ATOM 1350 N LEU A 92 -0.626 -7.014 6.504 1.00 0.00 N ATOM 1351 CA LEU A 92 -0.720 -8.378 7.012 1.00 0.00 C ATOM 1352 C LEU A 92 -2.046 -9.017 6.612 1.00 0.00 C ATOM 1353 O LEU A 92 -3.101 -8.665 7.138 1.00 0.00 O ATOM 1354 CB LEU A 92 -0.575 -8.388 8.534 1.00 0.00 C ATOM 1355 CG LEU A 92 -0.840 -9.726 9.225 1.00 0.00 C ATOM 1356 CD1 LEU A 92 0.015 -10.823 8.611 1.00 0.00 C ATOM 1357 CD2 LEU A 92 -0.577 -9.616 10.720 1.00 0.00 C ATOM 0 H LEU A 92 -1.474 -6.460 6.624 1.00 0.00 H new ATOM 0 HA LEU A 92 0.090 -8.960 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.436 -8.066 8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.258 -7.646 8.949 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.888 -9.987 9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.187 -11.768 9.116 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.223 -10.919 7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.069 -10.569 8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.771 -10.578 11.195 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.462 -9.332 10.887 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.234 -8.860 11.150 1.00 0.00 H new ATOM 1369 N VAL A 93 -1.984 -9.962 5.678 1.00 0.00 N ATOM 1370 CA VAL A 93 -3.179 -10.653 5.210 1.00 0.00 C ATOM 1371 C VAL A 93 -3.424 -11.929 6.008 1.00 0.00 C ATOM 1372 O VAL A 93 -2.880 -12.986 5.689 1.00 0.00 O ATOM 1373 CB VAL A 93 -3.072 -11.009 3.715 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -4.208 -11.933 3.303 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -3.067 -9.746 2.867 1.00 0.00 C ATOM 0 H VAL A 93 -1.119 -10.266 5.231 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.016 -9.970 5.355 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.131 -11.534 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.116 -12.173 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.161 -12.851 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.163 -11.438 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.991 -10.015 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.991 -9.192 3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.216 -9.124 3.145 1.00 0.00 H new ATOM 1385 N GLN A 94 -4.247 -11.822 7.046 1.00 0.00 N ATOM 1386 CA GLN A 94 -4.564 -12.968 7.890 1.00 0.00 C ATOM 1387 C GLN A 94 -5.274 -14.054 7.089 1.00 0.00 C ATOM 1388 O GLN A 94 -5.769 -13.806 5.991 1.00 0.00 O ATOM 1389 CB GLN A 94 -5.436 -12.533 9.069 1.00 0.00 C ATOM 1390 CG GLN A 94 -4.685 -11.729 10.118 1.00 0.00 C ATOM 1391 CD GLN A 94 -3.528 -12.497 10.724 1.00 0.00 C ATOM 1392 OE1 GLN A 94 -2.472 -12.640 10.107 1.00 0.00 O ATOM 1393 NE2 GLN A 94 -3.720 -12.997 11.940 1.00 0.00 N ATOM 0 H GLN A 94 -4.706 -10.954 7.323 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.628 -13.377 8.271 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.268 -11.937 8.694 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.864 -13.418 9.540 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.310 -10.811 9.666 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.376 -11.436 10.909 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -4.611 -12.855 12.415 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.976 -13.523 12.398 1.00 0.00 H new