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 43 LYS NZ :NH3+ -139:sc= 0.178 (180deg=-1.31) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= -0.997 USER MOD Set 2.1: A 30 CYS SG : rot -17:sc= -0.31 USER MOD Set 2.2: A 80 CYS SG : rot 116:sc= 0.704 USER MOD Single : A 9 ASN : amide:sc= -4.51! C(o=-4.5!,f=-11!) USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0967 USER MOD Single : A 12 THR OG1 : rot -140:sc= -0.909 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.53) USER MOD Single : A 19 GLN : amide:sc= -1.94! K(o=-1.9!,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -27:sc= 0.355 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 113:sc= 0.6 USER MOD Single : A 34 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-0.85) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00674 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 16:sc= 0.484 USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0363) USER MOD Single : A 54 HIS : no HD1:sc= -2.81! K(o=-2.8!,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.34) USER MOD Single : A 57 SER OG : rot 180:sc= -0.288 USER MOD Single : A 58 GLN : amide:sc= -0.923 X(o=-0.92,f=-1.3) 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 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0585 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.12) USER MOD Single : A 86 GLN : amide:sc= -3.16! C(o=-3.2!,f=-6!) USER MOD Single : A 87 SER OG : rot 100:sc= -0.576 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ASN A 9 8.497 18.531 -0.776 1.00 0.00 N ATOM 77 CA ASN A 9 7.331 18.007 -0.073 1.00 0.00 C ATOM 78 C ASN A 9 7.730 16.883 0.879 1.00 0.00 C ATOM 79 O ASN A 9 8.784 16.266 0.720 1.00 0.00 O ATOM 80 CB ASN A 9 6.292 17.498 -1.075 1.00 0.00 C ATOM 81 CG ASN A 9 4.914 17.360 -0.458 1.00 0.00 C ATOM 82 OD1 ASN A 9 4.711 17.679 0.714 1.00 0.00 O ATOM 83 ND2 ASN A 9 3.958 16.883 -1.246 1.00 0.00 N ATOM 0 HA ASN A 9 6.895 18.817 0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.241 18.183 -1.921 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.611 16.532 -1.466 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.010 16.768 -0.886 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.171 16.631 -2.211 1.00 0.00 H new ATOM 90 N CYS A 10 6.881 16.623 1.866 1.00 0.00 N ATOM 91 CA CYS A 10 7.144 15.574 2.845 1.00 0.00 C ATOM 92 C CYS A 10 5.841 14.966 3.353 1.00 0.00 C ATOM 93 O CYS A 10 4.753 15.429 3.013 1.00 0.00 O ATOM 94 CB CYS A 10 7.952 16.132 4.017 1.00 0.00 C ATOM 95 SG CYS A 10 9.030 14.919 4.814 1.00 0.00 S ATOM 0 H CYS A 10 6.004 17.124 2.010 1.00 0.00 H new ATOM 0 HA CYS A 10 7.723 14.791 2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.560 16.964 3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.264 16.534 4.760 1.00 0.00 H new ATOM 0 HG CYS A 10 9.673 15.486 5.791 1.00 0.00 H new ATOM 101 N PHE A 11 5.960 13.923 4.169 1.00 0.00 N ATOM 102 CA PHE A 11 4.792 13.249 4.723 1.00 0.00 C ATOM 103 C PHE A 11 4.614 13.592 6.199 1.00 0.00 C ATOM 104 O PHE A 11 5.399 13.164 7.047 1.00 0.00 O ATOM 105 CB PHE A 11 4.922 11.734 4.552 1.00 0.00 C ATOM 106 CG PHE A 11 4.708 11.270 3.139 1.00 0.00 C ATOM 107 CD1 PHE A 11 5.693 11.445 2.181 1.00 0.00 C ATOM 108 CD2 PHE A 11 3.521 10.659 2.770 1.00 0.00 C ATOM 109 CE1 PHE A 11 5.500 11.018 0.881 1.00 0.00 C ATOM 110 CE2 PHE A 11 3.321 10.230 1.471 1.00 0.00 C ATOM 111 CZ PHE A 11 4.311 10.411 0.525 1.00 0.00 C ATOM 0 H PHE A 11 6.853 13.527 4.461 1.00 0.00 H new ATOM 0 HA PHE A 11 3.913 13.595 4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.913 11.423 4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.200 11.240 5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.623 11.921 2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.743 10.516 3.505 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.277 11.159 0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.391 9.754 1.196 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.156 10.079 -0.491 1.00 0.00 H new ATOM 121 N THR A 12 3.577 14.368 6.500 1.00 0.00 N ATOM 122 CA THR A 12 3.297 14.770 7.872 1.00 0.00 C ATOM 123 C THR A 12 2.834 13.583 8.710 1.00 0.00 C ATOM 124 O THR A 12 3.074 13.533 9.916 1.00 0.00 O ATOM 125 CB THR A 12 2.222 15.872 7.926 1.00 0.00 C ATOM 126 OG1 THR A 12 0.944 15.327 7.578 1.00 0.00 O ATOM 127 CG2 THR A 12 2.567 17.012 6.979 1.00 0.00 C ATOM 0 H THR A 12 2.917 14.730 5.811 1.00 0.00 H new ATOM 0 HA THR A 12 4.228 15.160 8.283 1.00 0.00 H new ATOM 0 HB THR A 12 2.186 16.263 8.943 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.457 15.967 7.018 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.793 17.778 7.035 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.526 17.444 7.264 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.629 16.632 5.959 1.00 0.00 H new ATOM 135 N GLU A 13 2.171 12.631 8.062 1.00 0.00 N ATOM 136 CA GLU A 13 1.675 11.444 8.749 1.00 0.00 C ATOM 137 C GLU A 13 2.006 10.180 7.961 1.00 0.00 C ATOM 138 O GLU A 13 1.313 9.834 7.004 1.00 0.00 O ATOM 139 CB GLU A 13 0.163 11.545 8.961 1.00 0.00 C ATOM 140 CG GLU A 13 -0.225 12.196 10.278 1.00 0.00 C ATOM 141 CD GLU A 13 -1.690 11.999 10.617 1.00 0.00 C ATOM 142 OE1 GLU A 13 -2.172 10.851 10.516 1.00 0.00 O ATOM 143 OE2 GLU A 13 -2.353 12.991 10.983 1.00 0.00 O ATOM 0 H GLU A 13 1.965 12.658 7.063 1.00 0.00 H new ATOM 0 HA GLU A 13 2.168 11.385 9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.273 12.116 8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.269 10.545 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.388 11.782 11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.007 13.263 10.230 1.00 0.00 H new ATOM 150 N GLU A 14 3.071 9.496 8.369 1.00 0.00 N ATOM 151 CA GLU A 14 3.494 8.272 7.700 1.00 0.00 C ATOM 152 C GLU A 14 2.424 7.190 7.816 1.00 0.00 C ATOM 153 O GLU A 14 1.675 7.144 8.793 1.00 0.00 O ATOM 154 CB GLU A 14 4.811 7.768 8.295 1.00 0.00 C ATOM 155 CG GLU A 14 6.002 8.657 7.977 1.00 0.00 C ATOM 156 CD GLU A 14 7.071 8.606 9.052 1.00 0.00 C ATOM 157 OE1 GLU A 14 7.816 7.605 9.101 1.00 0.00 O ATOM 158 OE2 GLU A 14 7.162 9.567 9.843 1.00 0.00 O ATOM 0 H GLU A 14 3.656 9.769 9.159 1.00 0.00 H new ATOM 0 HA GLU A 14 3.644 8.499 6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.705 7.690 9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.008 6.763 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.435 8.351 7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.661 9.685 7.857 1.00 0.00 H new ATOM 165 N LEU A 15 2.357 6.323 6.812 1.00 0.00 N ATOM 166 CA LEU A 15 1.379 5.241 6.799 1.00 0.00 C ATOM 167 C LEU A 15 1.455 4.423 8.085 1.00 0.00 C ATOM 168 O LEU A 15 2.361 4.607 8.898 1.00 0.00 O ATOM 169 CB LEU A 15 1.608 4.334 5.589 1.00 0.00 C ATOM 170 CG LEU A 15 1.212 4.914 4.231 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.067 4.313 3.125 1.00 0.00 C ATOM 172 CD2 LEU A 15 -0.265 4.672 3.957 1.00 0.00 C ATOM 0 H LEU A 15 2.969 6.348 5.996 1.00 0.00 H new ATOM 0 HA LEU A 15 0.385 5.683 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.665 4.068 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.052 3.409 5.743 1.00 0.00 H new ATOM 0 HG LEU A 15 1.385 5.990 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.771 4.737 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.117 4.538 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.926 3.232 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.528 5.092 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.464 3.600 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.862 5.150 4.733 1.00 0.00 H new ATOM 184 N THR A 16 0.499 3.516 8.261 1.00 0.00 N ATOM 185 CA THR A 16 0.458 2.669 9.446 1.00 0.00 C ATOM 186 C THR A 16 0.088 1.235 9.084 1.00 0.00 C ATOM 187 O THR A 16 -0.908 0.994 8.404 1.00 0.00 O ATOM 188 CB THR A 16 -0.549 3.201 10.482 1.00 0.00 C ATOM 189 OG1 THR A 16 -0.490 2.409 11.674 1.00 0.00 O ATOM 190 CG2 THR A 16 -1.964 3.179 9.923 1.00 0.00 C ATOM 0 H THR A 16 -0.257 3.349 7.597 1.00 0.00 H new ATOM 0 HA THR A 16 1.457 2.685 9.881 1.00 0.00 H new ATOM 0 HB THR A 16 -0.284 4.232 10.717 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.132 2.755 12.329 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.657 3.559 10.673 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.013 3.806 9.032 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.236 2.156 9.662 1.00 0.00 H new ATOM 198 N ASN A 17 0.897 0.286 9.543 1.00 0.00 N ATOM 199 CA ASN A 17 0.654 -1.126 9.267 1.00 0.00 C ATOM 200 C ASN A 17 -0.837 -1.442 9.325 1.00 0.00 C ATOM 201 O ASN A 17 -1.532 -1.044 10.262 1.00 0.00 O ATOM 202 CB ASN A 17 1.412 -2.000 10.268 1.00 0.00 C ATOM 203 CG ASN A 17 2.752 -1.406 10.656 1.00 0.00 C ATOM 204 OD1 ASN A 17 2.896 -0.817 11.727 1.00 0.00 O ATOM 205 ND2 ASN A 17 3.742 -1.559 9.784 1.00 0.00 N ATOM 0 H ASN A 17 1.727 0.469 10.108 1.00 0.00 H new ATOM 0 HA ASN A 17 1.014 -1.342 8.261 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.804 -2.133 11.163 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.567 -2.989 9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.667 -1.181 9.991 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.578 -2.055 8.908 1.00 0.00 H new ATOM 212 N LEU A 18 -1.324 -2.160 8.319 1.00 0.00 N ATOM 213 CA LEU A 18 -2.733 -2.532 8.255 1.00 0.00 C ATOM 214 C LEU A 18 -2.902 -4.045 8.342 1.00 0.00 C ATOM 215 O LEU A 18 -2.183 -4.797 7.685 1.00 0.00 O ATOM 216 CB LEU A 18 -3.360 -2.011 6.961 1.00 0.00 C ATOM 217 CG LEU A 18 -3.517 -0.493 6.854 1.00 0.00 C ATOM 218 CD1 LEU A 18 -4.255 -0.122 5.578 1.00 0.00 C ATOM 219 CD2 LEU A 18 -4.245 0.054 8.073 1.00 0.00 C ATOM 0 H LEU A 18 -0.764 -2.496 7.536 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.241 -2.079 9.106 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.753 -2.353 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.344 -2.467 6.848 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.524 -0.045 6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.357 0.962 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.694 -0.481 4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.244 -0.580 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.348 1.135 7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.234 -0.400 8.141 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.676 -0.180 8.972 1.00 0.00 H new ATOM 231 N GLN A 19 -3.857 -4.483 9.156 1.00 0.00 N ATOM 232 CA GLN A 19 -4.121 -5.907 9.327 1.00 0.00 C ATOM 233 C GLN A 19 -5.569 -6.237 8.981 1.00 0.00 C ATOM 234 O GLN A 19 -6.496 -5.805 9.667 1.00 0.00 O ATOM 235 CB GLN A 19 -3.817 -6.334 10.763 1.00 0.00 C ATOM 236 CG GLN A 19 -4.106 -7.802 11.036 1.00 0.00 C ATOM 237 CD GLN A 19 -4.308 -8.093 12.510 1.00 0.00 C ATOM 238 OE1 GLN A 19 -5.433 -8.079 13.009 1.00 0.00 O ATOM 239 NE2 GLN A 19 -3.215 -8.359 13.216 1.00 0.00 N ATOM 0 H GLN A 19 -4.460 -3.873 9.707 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.470 -6.456 8.647 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.768 -6.133 10.979 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.406 -5.723 11.447 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.998 -8.101 10.485 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.281 -8.407 10.660 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.302 -8.360 12.761 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.289 -8.562 14.213 1.00 0.00 H new ATOM 248 N VAL A 20 -5.757 -7.006 7.913 1.00 0.00 N ATOM 249 CA VAL A 20 -7.093 -7.396 7.477 1.00 0.00 C ATOM 250 C VAL A 20 -7.096 -8.814 6.918 1.00 0.00 C ATOM 251 O VAL A 20 -6.195 -9.201 6.175 1.00 0.00 O ATOM 252 CB VAL A 20 -7.636 -6.432 6.405 1.00 0.00 C ATOM 253 CG1 VAL A 20 -9.148 -6.557 6.292 1.00 0.00 C ATOM 254 CG2 VAL A 20 -7.235 -5.000 6.725 1.00 0.00 C ATOM 0 H VAL A 20 -5.001 -7.371 7.334 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.738 -7.353 8.354 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.199 -6.702 5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.514 -5.869 5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.409 -7.578 6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.606 -6.314 7.251 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.627 -4.332 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.642 -4.716 7.695 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.148 -4.924 6.752 1.00 0.00 H new ATOM 264 N GLU A 21 -8.117 -9.584 7.280 1.00 0.00 N ATOM 265 CA GLU A 21 -8.238 -10.961 6.814 1.00 0.00 C ATOM 266 C GLU A 21 -8.325 -11.014 5.291 1.00 0.00 C ATOM 267 O GLU A 21 -9.040 -10.227 4.673 1.00 0.00 O ATOM 268 CB GLU A 21 -9.471 -11.625 7.430 1.00 0.00 C ATOM 269 CG GLU A 21 -9.610 -11.383 8.924 1.00 0.00 C ATOM 270 CD GLU A 21 -10.735 -12.190 9.543 1.00 0.00 C ATOM 271 OE1 GLU A 21 -10.538 -13.401 9.776 1.00 0.00 O ATOM 272 OE2 GLU A 21 -11.811 -11.610 9.796 1.00 0.00 O ATOM 0 H GLU A 21 -8.872 -9.278 7.894 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.347 -11.504 7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.363 -11.254 6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.425 -12.699 7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.672 -11.636 9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.788 -10.322 9.102 1.00 0.00 H new ATOM 279 N GLU A 22 -7.591 -11.948 4.695 1.00 0.00 N ATOM 280 CA GLU A 22 -7.585 -12.104 3.245 1.00 0.00 C ATOM 281 C GLU A 22 -8.986 -11.910 2.671 1.00 0.00 C ATOM 282 O GLU A 22 -9.985 -12.093 3.367 1.00 0.00 O ATOM 283 CB GLU A 22 -7.050 -13.484 2.860 1.00 0.00 C ATOM 284 CG GLU A 22 -8.023 -14.616 3.146 1.00 0.00 C ATOM 285 CD GLU A 22 -7.460 -15.976 2.782 1.00 0.00 C ATOM 286 OE1 GLU A 22 -6.346 -16.299 3.246 1.00 0.00 O ATOM 287 OE2 GLU A 22 -8.131 -16.716 2.035 1.00 0.00 O ATOM 0 H GLU A 22 -6.993 -12.608 5.193 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.931 -11.340 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.805 -13.486 1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.122 -13.668 3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.284 -14.607 4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.944 -14.447 2.589 1.00 0.00 H new ATOM 294 N LYS A 23 -9.051 -11.540 1.397 1.00 0.00 N ATOM 295 CA LYS A 23 -10.327 -11.322 0.727 1.00 0.00 C ATOM 296 C LYS A 23 -11.104 -10.190 1.391 1.00 0.00 C ATOM 297 O LYS A 23 -12.334 -10.171 1.369 1.00 0.00 O ATOM 298 CB LYS A 23 -11.161 -12.605 0.744 1.00 0.00 C ATOM 299 CG LYS A 23 -10.695 -13.647 -0.258 1.00 0.00 C ATOM 300 CD LYS A 23 -11.379 -13.473 -1.603 1.00 0.00 C ATOM 301 CE LYS A 23 -11.503 -14.797 -2.342 1.00 0.00 C ATOM 302 NZ LYS A 23 -11.752 -14.600 -3.796 1.00 0.00 N ATOM 0 H LYS A 23 -8.234 -11.385 0.807 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.123 -11.042 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.129 -13.036 1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.202 -12.355 0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.615 -13.573 -0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.902 -14.644 0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.370 -13.044 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.813 -12.767 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.590 -15.376 -2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.317 -15.379 -1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.830 -15.526 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.637 -14.070 -3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.963 -14.067 -4.214 1.00 0.00 H new ATOM 316 N GLY A 24 -10.377 -9.245 1.980 1.00 0.00 N ATOM 317 CA GLY A 24 -11.015 -8.121 2.640 1.00 0.00 C ATOM 318 C GLY A 24 -10.843 -6.824 1.875 1.00 0.00 C ATOM 319 O GLY A 24 -11.162 -6.747 0.688 1.00 0.00 O ATOM 0 H GLY A 24 -9.358 -9.238 2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.078 -8.330 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.598 -8.007 3.641 1.00 0.00 H new ATOM 323 N THR A 25 -10.338 -5.800 2.556 1.00 0.00 N ATOM 324 CA THR A 25 -10.127 -4.499 1.933 1.00 0.00 C ATOM 325 C THR A 25 -9.149 -3.655 2.742 1.00 0.00 C ATOM 326 O THR A 25 -9.463 -3.211 3.846 1.00 0.00 O ATOM 327 CB THR A 25 -11.451 -3.726 1.783 1.00 0.00 C ATOM 328 OG1 THR A 25 -12.455 -4.580 1.222 1.00 0.00 O ATOM 329 CG2 THR A 25 -11.266 -2.503 0.898 1.00 0.00 C ATOM 0 H THR A 25 -10.068 -5.846 3.538 1.00 0.00 H new ATOM 0 HA THR A 25 -9.710 -4.686 0.943 1.00 0.00 H new ATOM 0 HB THR A 25 -11.767 -3.394 2.772 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.028 -5.271 0.674 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.214 -1.973 0.807 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.522 -1.842 1.342 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.929 -2.816 -0.090 1.00 0.00 H new ATOM 337 N ALA A 26 -7.962 -3.437 2.186 1.00 0.00 N ATOM 338 CA ALA A 26 -6.939 -2.643 2.855 1.00 0.00 C ATOM 339 C ALA A 26 -6.810 -1.263 2.218 1.00 0.00 C ATOM 340 O ALA A 26 -6.549 -1.143 1.021 1.00 0.00 O ATOM 341 CB ALA A 26 -5.602 -3.369 2.821 1.00 0.00 C ATOM 0 H ALA A 26 -7.685 -3.799 1.274 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.241 -2.508 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.847 -2.765 3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.696 -4.329 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.304 -3.534 1.786 1.00 0.00 H new ATOM 347 N VAL A 27 -6.995 -0.224 3.026 1.00 0.00 N ATOM 348 CA VAL A 27 -6.900 1.148 2.541 1.00 0.00 C ATOM 349 C VAL A 27 -5.751 1.890 3.215 1.00 0.00 C ATOM 350 O VAL A 27 -5.882 2.368 4.342 1.00 0.00 O ATOM 351 CB VAL A 27 -8.209 1.922 2.785 1.00 0.00 C ATOM 352 CG1 VAL A 27 -8.071 3.364 2.322 1.00 0.00 C ATOM 353 CG2 VAL A 27 -9.371 1.236 2.082 1.00 0.00 C ATOM 0 H VAL A 27 -7.212 -0.306 4.019 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.714 1.092 1.468 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.414 1.928 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.006 3.895 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.266 3.848 2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.842 3.384 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.288 1.796 2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.176 1.198 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.482 0.222 2.467 1.00 0.00 H new ATOM 363 N PHE A 28 -4.624 1.983 2.517 1.00 0.00 N ATOM 364 CA PHE A 28 -3.450 2.666 3.048 1.00 0.00 C ATOM 365 C PHE A 28 -3.668 4.176 3.077 1.00 0.00 C ATOM 366 O PHE A 28 -3.525 4.857 2.061 1.00 0.00 O ATOM 367 CB PHE A 28 -2.216 2.334 2.206 1.00 0.00 C ATOM 368 CG PHE A 28 -1.497 1.096 2.660 1.00 0.00 C ATOM 369 CD1 PHE A 28 -1.105 0.951 3.981 1.00 0.00 C ATOM 370 CD2 PHE A 28 -1.213 0.077 1.765 1.00 0.00 C ATOM 371 CE1 PHE A 28 -0.444 -0.188 4.401 1.00 0.00 C ATOM 372 CE2 PHE A 28 -0.553 -1.064 2.180 1.00 0.00 C ATOM 373 CZ PHE A 28 -0.166 -1.196 3.499 1.00 0.00 C ATOM 0 H PHE A 28 -4.499 1.594 1.582 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.289 2.319 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.518 2.208 1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.526 3.178 2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.318 1.737 4.691 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.511 0.176 0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.145 -0.290 5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.340 -1.852 1.473 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.353 -2.086 3.824 1.00 0.00 H new ATOM 383 N THR A 29 -4.014 4.695 4.251 1.00 0.00 N ATOM 384 CA THR A 29 -4.253 6.124 4.415 1.00 0.00 C ATOM 385 C THR A 29 -2.984 6.848 4.847 1.00 0.00 C ATOM 386 O THR A 29 -2.291 6.410 5.766 1.00 0.00 O ATOM 387 CB THR A 29 -5.362 6.393 5.450 1.00 0.00 C ATOM 388 OG1 THR A 29 -5.247 5.474 6.542 1.00 0.00 O ATOM 389 CG2 THR A 29 -6.738 6.263 4.814 1.00 0.00 C ATOM 0 H THR A 29 -4.135 4.147 5.103 1.00 0.00 H new ATOM 0 HA THR A 29 -4.572 6.504 3.445 1.00 0.00 H new ATOM 0 HB THR A 29 -5.244 7.412 5.820 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.955 5.653 7.196 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.505 6.457 5.564 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.833 6.984 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.863 5.254 4.420 1.00 0.00 H new ATOM 397 N CYS A 30 -2.685 7.957 4.181 1.00 0.00 N ATOM 398 CA CYS A 30 -1.497 8.743 4.497 1.00 0.00 C ATOM 399 C CYS A 30 -1.795 10.236 4.416 1.00 0.00 C ATOM 400 O CYS A 30 -2.913 10.641 4.094 1.00 0.00 O ATOM 401 CB CYS A 30 -0.356 8.386 3.544 1.00 0.00 C ATOM 402 SG CYS A 30 -0.770 8.572 1.794 1.00 0.00 S ATOM 0 H CYS A 30 -3.249 8.333 3.418 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.196 8.506 5.518 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.504 9.016 3.772 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.053 7.355 3.727 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.062 8.622 1.657 1.00 0.00 H new ATOM 408 N LYS A 31 -0.789 11.052 4.712 1.00 0.00 N ATOM 409 CA LYS A 31 -0.942 12.502 4.674 1.00 0.00 C ATOM 410 C LYS A 31 0.305 13.165 4.099 1.00 0.00 C ATOM 411 O LYS A 31 1.363 12.543 4.000 1.00 0.00 O ATOM 412 CB LYS A 31 -1.221 13.043 6.078 1.00 0.00 C ATOM 413 CG LYS A 31 -2.106 14.278 6.089 1.00 0.00 C ATOM 414 CD LYS A 31 -2.250 14.848 7.490 1.00 0.00 C ATOM 415 CE LYS A 31 -3.070 16.129 7.489 1.00 0.00 C ATOM 416 NZ LYS A 31 -3.009 16.828 8.802 1.00 0.00 N ATOM 0 H LYS A 31 0.142 10.734 4.981 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.787 12.737 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.695 12.261 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.274 13.281 6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.684 15.035 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.090 14.025 5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.726 14.111 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.262 15.047 7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.704 16.794 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.108 15.896 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.581 17.696 8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.382 16.203 9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.022 17.074 9.019 1.00 0.00 H new ATOM 430 N THR A 32 0.175 14.434 3.724 1.00 0.00 N ATOM 431 CA THR A 32 1.292 15.182 3.160 1.00 0.00 C ATOM 432 C THR A 32 1.176 16.668 3.481 1.00 0.00 C ATOM 433 O THR A 32 0.075 17.192 3.644 1.00 0.00 O ATOM 434 CB THR A 32 1.374 15.003 1.632 1.00 0.00 C ATOM 435 OG1 THR A 32 0.120 15.344 1.031 1.00 0.00 O ATOM 436 CG2 THR A 32 1.742 13.571 1.275 1.00 0.00 C ATOM 0 H THR A 32 -0.692 14.965 3.801 1.00 0.00 H new ATOM 0 HA THR A 32 2.200 14.785 3.614 1.00 0.00 H new ATOM 0 HB THR A 32 2.150 15.666 1.251 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.227 16.152 0.487 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.794 13.468 0.191 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.711 13.325 1.710 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.985 12.892 1.668 1.00 0.00 H new ATOM 444 N GLU A 33 2.319 17.341 3.569 1.00 0.00 N ATOM 445 CA GLU A 33 2.344 18.767 3.871 1.00 0.00 C ATOM 446 C GLU A 33 1.702 19.573 2.744 1.00 0.00 C ATOM 447 O GLU A 33 0.933 20.502 2.991 1.00 0.00 O ATOM 448 CB GLU A 33 3.782 19.239 4.094 1.00 0.00 C ATOM 449 CG GLU A 33 3.890 20.711 4.457 1.00 0.00 C ATOM 450 CD GLU A 33 3.570 20.978 5.915 1.00 0.00 C ATOM 451 OE1 GLU A 33 3.960 20.154 6.769 1.00 0.00 O ATOM 452 OE2 GLU A 33 2.929 22.011 6.201 1.00 0.00 O ATOM 0 H GLU A 33 3.239 16.922 3.435 1.00 0.00 H new ATOM 0 HA GLU A 33 1.770 18.929 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.232 18.644 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.361 19.053 3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.899 21.062 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.211 21.287 3.829 1.00 0.00 H new ATOM 459 N HIS A 34 2.025 19.209 1.507 1.00 0.00 N ATOM 460 CA HIS A 34 1.481 19.897 0.341 1.00 0.00 C ATOM 461 C HIS A 34 0.556 18.977 -0.450 1.00 0.00 C ATOM 462 O HIS A 34 0.756 17.764 -0.516 1.00 0.00 O ATOM 463 CB HIS A 34 2.613 20.398 -0.556 1.00 0.00 C ATOM 464 CG HIS A 34 3.790 20.927 0.203 1.00 0.00 C ATOM 465 ND1 HIS A 34 3.670 21.789 1.273 1.00 0.00 N ATOM 466 CD2 HIS A 34 5.117 20.711 0.043 1.00 0.00 C ATOM 467 CE1 HIS A 34 4.872 22.081 1.737 1.00 0.00 C ATOM 468 NE2 HIS A 34 5.767 21.439 1.008 1.00 0.00 N ATOM 0 H HIS A 34 2.660 18.442 1.286 1.00 0.00 H new ATOM 0 HA HIS A 34 0.901 20.751 0.691 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.943 19.583 -1.200 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.229 21.183 -1.207 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.578 20.083 -0.705 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.086 22.734 2.570 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.778 21.478 1.141 1.00 0.00 H new ATOM 477 N PRO A 35 -0.480 19.565 -1.066 1.00 0.00 N ATOM 478 CA PRO A 35 -1.456 18.817 -1.864 1.00 0.00 C ATOM 479 C PRO A 35 -0.858 18.288 -3.163 1.00 0.00 C ATOM 480 O PRO A 35 -1.050 18.873 -4.229 1.00 0.00 O ATOM 481 CB PRO A 35 -2.543 19.853 -2.158 1.00 0.00 C ATOM 482 CG PRO A 35 -1.845 21.167 -2.078 1.00 0.00 C ATOM 483 CD PRO A 35 -0.779 21.007 -1.030 1.00 0.00 C ATOM 0 HA PRO A 35 -1.821 17.934 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.982 19.697 -3.143 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.355 19.791 -1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.409 21.436 -3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.540 21.962 -1.809 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.102 21.606 -1.258 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.131 21.320 -0.047 1.00 0.00 H new ATOM 491 N ALA A 36 -0.133 17.178 -3.067 1.00 0.00 N ATOM 492 CA ALA A 36 0.490 16.569 -4.235 1.00 0.00 C ATOM 493 C ALA A 36 -0.481 16.515 -5.410 1.00 0.00 C ATOM 494 O ALA A 36 -1.643 16.144 -5.250 1.00 0.00 O ATOM 495 CB ALA A 36 0.992 15.173 -3.898 1.00 0.00 C ATOM 0 H ALA A 36 0.037 16.682 -2.192 1.00 0.00 H new ATOM 0 HA ALA A 36 1.339 17.188 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.455 14.730 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.726 15.234 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.155 14.553 -3.578 1.00 0.00 H new ATOM 501 N ALA A 37 0.004 16.890 -6.590 1.00 0.00 N ATOM 502 CA ALA A 37 -0.822 16.882 -7.791 1.00 0.00 C ATOM 503 C ALA A 37 -0.968 15.470 -8.348 1.00 0.00 C ATOM 504 O ALA A 37 -1.907 15.178 -9.089 1.00 0.00 O ATOM 505 CB ALA A 37 -0.229 17.808 -8.844 1.00 0.00 C ATOM 0 H ALA A 37 0.963 17.203 -6.739 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.815 17.242 -7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.855 17.793 -9.736 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.182 18.823 -8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.776 17.471 -9.100 1.00 0.00 H new ATOM 511 N THR A 38 -0.034 14.597 -7.987 1.00 0.00 N ATOM 512 CA THR A 38 -0.058 13.216 -8.452 1.00 0.00 C ATOM 513 C THR A 38 0.474 12.267 -7.384 1.00 0.00 C ATOM 514 O THR A 38 1.278 12.657 -6.537 1.00 0.00 O ATOM 515 CB THR A 38 0.772 13.041 -9.737 1.00 0.00 C ATOM 516 OG1 THR A 38 0.690 11.686 -10.194 1.00 0.00 O ATOM 517 CG2 THR A 38 2.228 13.413 -9.496 1.00 0.00 C ATOM 0 H THR A 38 0.749 14.822 -7.374 1.00 0.00 H new ATOM 0 HA THR A 38 -1.099 12.973 -8.665 1.00 0.00 H new ATOM 0 HB THR A 38 0.365 13.706 -10.499 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.219 11.584 -11.012 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.795 13.281 -10.418 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.290 14.454 -9.178 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.644 12.771 -8.720 1.00 0.00 H new ATOM 525 N VAL A 39 0.021 11.018 -7.430 1.00 0.00 N ATOM 526 CA VAL A 39 0.454 10.012 -6.467 1.00 0.00 C ATOM 527 C VAL A 39 0.615 8.649 -7.131 1.00 0.00 C ATOM 528 O VAL A 39 -0.325 8.118 -7.724 1.00 0.00 O ATOM 529 CB VAL A 39 -0.544 9.887 -5.300 1.00 0.00 C ATOM 530 CG1 VAL A 39 -0.075 8.834 -4.307 1.00 0.00 C ATOM 531 CG2 VAL A 39 -0.733 11.232 -4.615 1.00 0.00 C ATOM 0 H VAL A 39 -0.645 10.679 -8.124 1.00 0.00 H new ATOM 0 HA VAL A 39 1.418 10.340 -6.078 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.507 9.571 -5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.792 8.760 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.004 7.870 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.900 9.117 -3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.441 11.125 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.224 11.580 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.118 11.956 -5.334 1.00 0.00 H new ATOM 541 N THR A 40 1.815 8.085 -7.028 1.00 0.00 N ATOM 542 CA THR A 40 2.101 6.784 -7.619 1.00 0.00 C ATOM 543 C THR A 40 2.525 5.778 -6.555 1.00 0.00 C ATOM 544 O THR A 40 3.658 5.809 -6.075 1.00 0.00 O ATOM 545 CB THR A 40 3.208 6.883 -8.686 1.00 0.00 C ATOM 546 OG1 THR A 40 2.863 7.874 -9.660 1.00 0.00 O ATOM 547 CG2 THR A 40 3.420 5.542 -9.372 1.00 0.00 C ATOM 0 H THR A 40 2.604 8.509 -6.541 1.00 0.00 H new ATOM 0 HA THR A 40 1.180 6.442 -8.092 1.00 0.00 H new ATOM 0 HB THR A 40 4.135 7.170 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.573 7.932 -10.333 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.206 5.637 -10.121 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.712 4.797 -8.632 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.494 5.230 -9.855 1.00 0.00 H new ATOM 555 N TRP A 41 1.609 4.888 -6.192 1.00 0.00 N ATOM 556 CA TRP A 41 1.889 3.872 -5.184 1.00 0.00 C ATOM 557 C TRP A 41 2.745 2.751 -5.764 1.00 0.00 C ATOM 558 O TRP A 41 2.761 2.533 -6.975 1.00 0.00 O ATOM 559 CB TRP A 41 0.583 3.298 -4.631 1.00 0.00 C ATOM 560 CG TRP A 41 -0.257 4.315 -3.919 1.00 0.00 C ATOM 561 CD1 TRP A 41 -0.964 5.336 -4.486 1.00 0.00 C ATOM 562 CD2 TRP A 41 -0.476 4.408 -2.507 1.00 0.00 C ATOM 563 NE1 TRP A 41 -1.610 6.059 -3.511 1.00 0.00 N ATOM 564 CE2 TRP A 41 -1.327 5.509 -2.289 1.00 0.00 C ATOM 565 CE3 TRP A 41 -0.038 3.667 -1.406 1.00 0.00 C ATOM 566 CZ2 TRP A 41 -1.745 5.886 -1.015 1.00 0.00 C ATOM 567 CZ3 TRP A 41 -0.454 4.042 -0.143 1.00 0.00 C ATOM 568 CH2 TRP A 41 -1.301 5.143 0.044 1.00 0.00 C ATOM 0 H TRP A 41 0.667 4.849 -6.580 1.00 0.00 H new ATOM 0 HA TRP A 41 2.442 4.345 -4.373 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.006 2.870 -5.451 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.814 2.483 -3.945 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.009 5.545 -5.545 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.204 6.873 -3.672 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.614 2.816 -1.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.397 6.735 -0.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.121 3.477 0.715 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.609 5.410 1.044 1.00 0.00 H new ATOM 579 N ARG A 42 3.456 2.043 -4.892 1.00 0.00 N ATOM 580 CA ARG A 42 4.315 0.946 -5.319 1.00 0.00 C ATOM 581 C ARG A 42 4.199 -0.239 -4.364 1.00 0.00 C ATOM 582 O ARG A 42 3.873 -0.073 -3.188 1.00 0.00 O ATOM 583 CB ARG A 42 5.771 1.410 -5.398 1.00 0.00 C ATOM 584 CG ARG A 42 6.772 0.269 -5.462 1.00 0.00 C ATOM 585 CD ARG A 42 8.195 0.764 -5.261 1.00 0.00 C ATOM 586 NE ARG A 42 8.535 1.843 -6.185 1.00 0.00 N ATOM 587 CZ ARG A 42 8.945 1.640 -7.432 1.00 0.00 C ATOM 588 NH1 ARG A 42 9.066 0.406 -7.902 1.00 0.00 N ATOM 589 NH2 ARG A 42 9.236 2.673 -8.213 1.00 0.00 N ATOM 0 H ARG A 42 3.454 2.210 -3.886 1.00 0.00 H new ATOM 0 HA ARG A 42 3.988 0.627 -6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.895 2.040 -6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.994 2.029 -4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.532 -0.470 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.693 -0.232 -6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.316 1.113 -4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.890 -0.064 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 42 8.453 2.805 -5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.844 -0.391 -7.305 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.381 0.254 -8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.145 3.624 -7.856 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.551 2.516 -9.170 1.00 0.00 H new ATOM 603 N LYS A 43 4.468 -1.434 -4.877 1.00 0.00 N ATOM 604 CA LYS A 43 4.395 -2.647 -4.071 1.00 0.00 C ATOM 605 C LYS A 43 5.419 -3.676 -4.542 1.00 0.00 C ATOM 606 O LYS A 43 5.325 -4.195 -5.653 1.00 0.00 O ATOM 607 CB LYS A 43 2.988 -3.245 -4.139 1.00 0.00 C ATOM 608 CG LYS A 43 2.881 -4.621 -3.506 1.00 0.00 C ATOM 609 CD LYS A 43 1.808 -5.462 -4.177 1.00 0.00 C ATOM 610 CE LYS A 43 1.455 -6.685 -3.344 1.00 0.00 C ATOM 611 NZ LYS A 43 0.814 -6.310 -2.053 1.00 0.00 N ATOM 0 H LYS A 43 4.739 -1.589 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 43 4.621 -2.381 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.291 -2.570 -3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.680 -3.309 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.842 -5.131 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.653 -4.518 -2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.915 -4.857 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.155 -5.778 -5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.782 -7.328 -3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.358 -7.263 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.186 -6.914 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.023 -5.314 -1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.215 -6.439 -2.126 1.00 0.00 H new ATOM 670 N GLU A 47 5.226 -0.837 -9.772 1.00 0.00 N ATOM 671 CA GLU A 47 4.379 0.347 -9.850 1.00 0.00 C ATOM 672 C GLU A 47 2.910 -0.043 -9.987 1.00 0.00 C ATOM 673 O GLU A 47 2.544 -0.827 -10.863 1.00 0.00 O ATOM 674 CB GLU A 47 4.798 1.225 -11.031 1.00 0.00 C ATOM 675 CG GLU A 47 3.954 2.480 -11.186 1.00 0.00 C ATOM 676 CD GLU A 47 4.541 3.457 -12.186 1.00 0.00 C ATOM 677 OE1 GLU A 47 4.489 3.166 -13.399 1.00 0.00 O ATOM 678 OE2 GLU A 47 5.052 4.512 -11.756 1.00 0.00 O ATOM 0 HA GLU A 47 4.502 0.912 -8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.842 1.512 -10.907 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.735 0.640 -11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.949 2.201 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.858 2.971 -10.217 1.00 0.00 H new ATOM 685 N LEU A 48 2.073 0.510 -9.116 1.00 0.00 N ATOM 686 CA LEU A 48 0.644 0.220 -9.138 1.00 0.00 C ATOM 687 C LEU A 48 -0.112 1.269 -9.948 1.00 0.00 C ATOM 688 O LEU A 48 0.298 2.428 -10.016 1.00 0.00 O ATOM 689 CB LEU A 48 0.092 0.164 -7.713 1.00 0.00 C ATOM 690 CG LEU A 48 0.817 -0.775 -6.749 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.195 -0.702 -5.363 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.788 -2.204 -7.273 1.00 0.00 C ATOM 0 H LEU A 48 2.360 1.162 -8.386 1.00 0.00 H new ATOM 0 HA LEU A 48 0.503 -0.751 -9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.117 1.171 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.955 -0.135 -7.762 1.00 0.00 H new ATOM 0 HG LEU A 48 1.857 -0.456 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.724 -1.377 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.268 0.318 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.854 -0.994 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.309 -2.858 -6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.246 -2.533 -7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.281 -2.245 -8.244 1.00 0.00 H new ATOM 704 N ARG A 49 -1.217 0.855 -10.558 1.00 0.00 N ATOM 705 CA ARG A 49 -2.031 1.759 -11.362 1.00 0.00 C ATOM 706 C ARG A 49 -3.460 1.822 -10.831 1.00 0.00 C ATOM 707 O ARG A 49 -3.898 0.940 -10.093 1.00 0.00 O ATOM 708 CB ARG A 49 -2.038 1.310 -12.824 1.00 0.00 C ATOM 709 CG ARG A 49 -0.652 1.022 -13.380 1.00 0.00 C ATOM 710 CD ARG A 49 -0.247 -0.424 -13.144 1.00 0.00 C ATOM 711 NE ARG A 49 -1.117 -1.359 -13.853 1.00 0.00 N ATOM 712 CZ ARG A 49 -0.843 -2.650 -14.002 1.00 0.00 C ATOM 713 NH1 ARG A 49 0.271 -3.157 -13.493 1.00 0.00 N ATOM 714 NH2 ARG A 49 -1.685 -3.437 -14.660 1.00 0.00 N ATOM 0 H ARG A 49 -1.570 -0.101 -10.511 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.594 2.755 -11.297 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.651 0.413 -12.917 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.510 2.083 -13.430 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.636 1.236 -14.449 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.074 1.686 -12.911 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.783 -0.570 -13.469 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.277 -0.639 -12.076 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.983 -1.001 -14.256 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.920 -2.555 -12.986 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.479 -4.149 -13.609 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.544 -3.051 -15.052 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.473 -4.428 -14.774 1.00 0.00 H new ATOM 728 N ALA A 50 -4.181 2.871 -11.212 1.00 0.00 N ATOM 729 CA ALA A 50 -5.561 3.049 -10.776 1.00 0.00 C ATOM 730 C ALA A 50 -6.484 2.038 -11.449 1.00 0.00 C ATOM 731 O ALA A 50 -6.849 2.197 -12.614 1.00 0.00 O ATOM 732 CB ALA A 50 -6.028 4.467 -11.065 1.00 0.00 C ATOM 0 H ALA A 50 -3.833 3.611 -11.822 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.601 2.878 -9.700 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.060 4.585 -10.734 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.393 5.175 -10.532 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.966 4.659 -12.136 1.00 0.00 H new ATOM 738 N SER A 51 -6.856 0.999 -10.709 1.00 0.00 N ATOM 739 CA SER A 51 -7.733 -0.040 -11.236 1.00 0.00 C ATOM 740 C SER A 51 -8.509 -0.718 -10.111 1.00 0.00 C ATOM 741 O SER A 51 -8.317 -0.411 -8.936 1.00 0.00 O ATOM 742 CB SER A 51 -6.919 -1.080 -12.009 1.00 0.00 C ATOM 743 OG SER A 51 -6.622 -0.625 -13.317 1.00 0.00 O ATOM 0 H SER A 51 -6.564 0.854 -9.743 1.00 0.00 H new ATOM 0 HA SER A 51 -8.446 0.430 -11.914 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.993 -1.292 -11.475 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.476 -2.015 -12.064 1.00 0.00 H new ATOM 0 HG SER A 51 -6.781 0.341 -13.371 1.00 0.00 H new ATOM 749 N GLY A 52 -9.388 -1.644 -10.482 1.00 0.00 N ATOM 750 CA GLY A 52 -10.181 -2.352 -9.494 1.00 0.00 C ATOM 751 C GLY A 52 -9.353 -2.824 -8.316 1.00 0.00 C ATOM 752 O GLY A 52 -9.801 -2.772 -7.170 1.00 0.00 O ATOM 0 H GLY A 52 -9.565 -1.916 -11.449 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.977 -1.699 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.660 -3.211 -9.965 1.00 0.00 H new ATOM 756 N LYS A 53 -8.140 -3.289 -8.596 1.00 0.00 N ATOM 757 CA LYS A 53 -7.245 -3.773 -7.551 1.00 0.00 C ATOM 758 C LYS A 53 -6.728 -2.618 -6.700 1.00 0.00 C ATOM 759 O LYS A 53 -6.936 -2.587 -5.486 1.00 0.00 O ATOM 760 CB LYS A 53 -6.069 -4.532 -8.169 1.00 0.00 C ATOM 761 CG LYS A 53 -5.280 -5.353 -7.165 1.00 0.00 C ATOM 762 CD LYS A 53 -6.063 -6.569 -6.700 1.00 0.00 C ATOM 763 CE LYS A 53 -5.422 -7.213 -5.481 1.00 0.00 C ATOM 764 NZ LYS A 53 -4.033 -7.672 -5.762 1.00 0.00 N ATOM 0 H LYS A 53 -7.754 -3.341 -9.539 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.809 -4.450 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.444 -5.192 -8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.399 -3.819 -8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.341 -5.674 -7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.026 -4.732 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.085 -6.275 -6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.121 -7.297 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.409 -6.499 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.026 -8.061 -5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.686 -8.238 -4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.027 -8.253 -6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.415 -6.846 -5.896 1.00 0.00 H new ATOM 778 N HIS A 54 -6.054 -1.670 -7.343 1.00 0.00 N ATOM 779 CA HIS A 54 -5.508 -0.512 -6.644 1.00 0.00 C ATOM 780 C HIS A 54 -6.138 0.779 -7.159 1.00 0.00 C ATOM 781 O HIS A 54 -5.714 1.323 -8.178 1.00 0.00 O ATOM 782 CB HIS A 54 -3.990 -0.456 -6.814 1.00 0.00 C ATOM 783 CG HIS A 54 -3.319 -1.785 -6.655 1.00 0.00 C ATOM 784 ND1 HIS A 54 -2.988 -2.594 -7.721 1.00 0.00 N ATOM 785 CD2 HIS A 54 -2.917 -2.446 -5.544 1.00 0.00 C ATOM 786 CE1 HIS A 54 -2.412 -3.695 -7.273 1.00 0.00 C ATOM 787 NE2 HIS A 54 -2.357 -3.630 -5.955 1.00 0.00 N ATOM 0 H HIS A 54 -5.873 -1.681 -8.347 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.743 -0.613 -5.585 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.758 -0.057 -7.802 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.577 0.240 -6.084 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.018 -2.105 -4.524 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.048 -4.510 -7.881 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.963 -4.344 -5.342 1.00 0.00 H new ATOM 796 N GLN A 55 -7.151 1.262 -6.447 1.00 0.00 N ATOM 797 CA GLN A 55 -7.839 2.488 -6.833 1.00 0.00 C ATOM 798 C GLN A 55 -7.512 3.623 -5.868 1.00 0.00 C ATOM 799 O GLN A 55 -8.185 3.824 -4.856 1.00 0.00 O ATOM 800 CB GLN A 55 -9.351 2.258 -6.875 1.00 0.00 C ATOM 801 CG GLN A 55 -10.070 3.122 -7.899 1.00 0.00 C ATOM 802 CD GLN A 55 -10.089 4.589 -7.514 1.00 0.00 C ATOM 803 OE1 GLN A 55 -10.717 4.976 -6.529 1.00 0.00 O ATOM 804 NE2 GLN A 55 -9.397 5.414 -8.292 1.00 0.00 N ATOM 0 H GLN A 55 -7.513 0.823 -5.600 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.494 2.771 -7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.544 1.209 -7.098 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.768 2.457 -5.888 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.584 3.011 -8.868 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.094 2.767 -8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.891 5.050 -9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.372 6.412 -8.082 1.00 0.00 H new ATOM 813 N PRO A 56 -6.455 4.385 -6.186 1.00 0.00 N ATOM 814 CA PRO A 56 -6.015 5.513 -5.359 1.00 0.00 C ATOM 815 C PRO A 56 -6.994 6.681 -5.405 1.00 0.00 C ATOM 816 O PRO A 56 -7.948 6.674 -6.183 1.00 0.00 O ATOM 817 CB PRO A 56 -4.677 5.911 -5.987 1.00 0.00 C ATOM 818 CG PRO A 56 -4.770 5.452 -7.401 1.00 0.00 C ATOM 819 CD PRO A 56 -5.608 4.203 -7.376 1.00 0.00 C ATOM 0 HA PRO A 56 -5.944 5.244 -4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.518 6.988 -5.930 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.841 5.438 -5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.227 6.216 -8.030 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.781 5.250 -7.812 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.205 4.101 -8.282 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.992 3.307 -7.298 1.00 0.00 H new ATOM 827 N SER A 57 -6.751 7.684 -4.567 1.00 0.00 N ATOM 828 CA SER A 57 -7.613 8.858 -4.510 1.00 0.00 C ATOM 829 C SER A 57 -6.804 10.111 -4.187 1.00 0.00 C ATOM 830 O SER A 57 -5.587 10.049 -4.017 1.00 0.00 O ATOM 831 CB SER A 57 -8.710 8.661 -3.461 1.00 0.00 C ATOM 832 OG SER A 57 -8.283 9.108 -2.186 1.00 0.00 O ATOM 0 H SER A 57 -5.964 7.707 -3.918 1.00 0.00 H new ATOM 0 HA SER A 57 -8.075 8.987 -5.489 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.605 9.206 -3.760 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.982 7.607 -3.408 1.00 0.00 H new ATOM 0 HG SER A 57 -9.002 8.973 -1.534 1.00 0.00 H new ATOM 838 N GLN A 58 -7.491 11.246 -4.103 1.00 0.00 N ATOM 839 CA GLN A 58 -6.837 12.514 -3.802 1.00 0.00 C ATOM 840 C GLN A 58 -7.799 13.470 -3.105 1.00 0.00 C ATOM 841 O GLN A 58 -8.968 13.568 -3.476 1.00 0.00 O ATOM 842 CB GLN A 58 -6.302 13.154 -5.084 1.00 0.00 C ATOM 843 CG GLN A 58 -5.784 14.569 -4.887 1.00 0.00 C ATOM 844 CD GLN A 58 -4.314 14.608 -4.521 1.00 0.00 C ATOM 845 OE1 GLN A 58 -3.500 13.885 -5.096 1.00 0.00 O ATOM 846 NE2 GLN A 58 -3.965 15.455 -3.559 1.00 0.00 N ATOM 0 H GLN A 58 -8.500 11.313 -4.239 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.003 12.313 -3.130 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.499 12.534 -5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.095 13.167 -5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.942 15.140 -5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.363 15.057 -4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.673 16.036 -3.109 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.989 15.525 -3.270 1.00 0.00 H new ATOM 855 N GLU A 59 -7.298 14.174 -2.094 1.00 0.00 N ATOM 856 CA GLU A 59 -8.115 15.122 -1.346 1.00 0.00 C ATOM 857 C GLU A 59 -7.239 16.080 -0.544 1.00 0.00 C ATOM 858 O GLU A 59 -6.657 15.704 0.473 1.00 0.00 O ATOM 859 CB GLU A 59 -9.067 14.378 -0.407 1.00 0.00 C ATOM 860 CG GLU A 59 -10.302 13.830 -1.103 1.00 0.00 C ATOM 861 CD GLU A 59 -11.468 13.635 -0.153 1.00 0.00 C ATOM 862 OE1 GLU A 59 -11.791 14.582 0.594 1.00 0.00 O ATOM 863 OE2 GLU A 59 -12.058 12.534 -0.158 1.00 0.00 O ATOM 0 H GLU A 59 -6.332 14.106 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.699 15.702 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.530 13.555 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.379 15.053 0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.598 14.512 -1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.057 12.877 -1.573 1.00 0.00 H new ATOM 870 N GLY A 60 -7.149 17.322 -1.011 1.00 0.00 N ATOM 871 CA GLY A 60 -6.341 18.315 -0.327 1.00 0.00 C ATOM 872 C GLY A 60 -4.992 17.772 0.099 1.00 0.00 C ATOM 873 O GLY A 60 -4.154 17.441 -0.741 1.00 0.00 O ATOM 0 H GLY A 60 -7.621 17.658 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.193 19.173 -0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.878 18.674 0.551 1.00 0.00 H new ATOM 877 N LEU A 61 -4.779 17.681 1.407 1.00 0.00 N ATOM 878 CA LEU A 61 -3.520 17.176 1.944 1.00 0.00 C ATOM 879 C LEU A 61 -3.693 15.767 2.503 1.00 0.00 C ATOM 880 O LEU A 61 -3.075 15.404 3.504 1.00 0.00 O ATOM 881 CB LEU A 61 -2.998 18.110 3.038 1.00 0.00 C ATOM 882 CG LEU A 61 -2.811 19.574 2.637 1.00 0.00 C ATOM 883 CD1 LEU A 61 -2.674 20.451 3.872 1.00 0.00 C ATOM 884 CD2 LEU A 61 -1.597 19.729 1.733 1.00 0.00 C ATOM 0 H LEU A 61 -5.462 17.950 2.115 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.795 17.138 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.687 18.070 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.041 17.725 3.390 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.693 19.895 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.542 21.489 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.573 20.363 4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.809 20.130 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.480 20.777 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.705 19.390 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.735 19.131 0.832 1.00 0.00 H new ATOM 896 N THR A 62 -4.536 14.976 1.847 1.00 0.00 N ATOM 897 CA THR A 62 -4.789 13.606 2.277 1.00 0.00 C ATOM 898 C THR A 62 -4.851 12.658 1.085 1.00 0.00 C ATOM 899 O THR A 62 -5.468 12.966 0.064 1.00 0.00 O ATOM 900 CB THR A 62 -6.106 13.501 3.070 1.00 0.00 C ATOM 901 OG1 THR A 62 -6.162 14.530 4.064 1.00 0.00 O ATOM 902 CG2 THR A 62 -6.229 12.138 3.736 1.00 0.00 C ATOM 0 H THR A 62 -5.055 15.260 1.016 1.00 0.00 H new ATOM 0 HA THR A 62 -3.959 13.319 2.923 1.00 0.00 H new ATOM 0 HB THR A 62 -6.935 13.624 2.373 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.002 14.458 4.563 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.166 12.087 4.290 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.215 11.358 2.974 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.394 11.991 4.421 1.00 0.00 H new ATOM 910 N LEU A 63 -4.208 11.504 1.219 1.00 0.00 N ATOM 911 CA LEU A 63 -4.190 10.509 0.152 1.00 0.00 C ATOM 912 C LEU A 63 -4.404 9.106 0.712 1.00 0.00 C ATOM 913 O LEU A 63 -4.081 8.832 1.868 1.00 0.00 O ATOM 914 CB LEU A 63 -2.863 10.570 -0.607 1.00 0.00 C ATOM 915 CG LEU A 63 -2.430 11.955 -1.090 1.00 0.00 C ATOM 916 CD1 LEU A 63 -0.957 11.951 -1.468 1.00 0.00 C ATOM 917 CD2 LEU A 63 -3.284 12.400 -2.269 1.00 0.00 C ATOM 0 H LEU A 63 -3.692 11.234 2.056 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.006 10.735 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.080 10.171 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.931 9.910 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.573 12.665 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.666 12.944 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.359 11.677 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.788 11.229 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.962 13.387 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.173 11.689 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.330 12.442 -1.965 1.00 0.00 H new ATOM 929 N ARG A 64 -4.950 8.221 -0.116 1.00 0.00 N ATOM 930 CA ARG A 64 -5.207 6.847 0.296 1.00 0.00 C ATOM 931 C ARG A 64 -5.385 5.940 -0.918 1.00 0.00 C ATOM 932 O ARG A 64 -5.746 6.400 -2.003 1.00 0.00 O ATOM 933 CB ARG A 64 -6.452 6.781 1.182 1.00 0.00 C ATOM 934 CG ARG A 64 -7.753 6.970 0.420 1.00 0.00 C ATOM 935 CD ARG A 64 -8.887 7.379 1.346 1.00 0.00 C ATOM 936 NE ARG A 64 -10.018 7.941 0.612 1.00 0.00 N ATOM 937 CZ ARG A 64 -10.906 8.768 1.151 1.00 0.00 C ATOM 938 NH1 ARG A 64 -10.795 9.129 2.422 1.00 0.00 N ATOM 939 NH2 ARG A 64 -11.908 9.238 0.418 1.00 0.00 N ATOM 0 H ARG A 64 -5.223 8.432 -1.076 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.346 6.498 0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.475 5.817 1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.379 7.547 1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.618 7.730 -0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.015 6.043 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.220 6.512 1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.521 8.112 2.065 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.132 7.684 -0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.026 8.771 2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.479 9.764 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.996 8.964 -0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.589 9.873 0.833 1.00 0.00 H new ATOM 953 N LEU A 65 -5.130 4.650 -0.729 1.00 0.00 N ATOM 954 CA LEU A 65 -5.262 3.677 -1.809 1.00 0.00 C ATOM 955 C LEU A 65 -6.105 2.485 -1.367 1.00 0.00 C ATOM 956 O LEU A 65 -5.653 1.646 -0.586 1.00 0.00 O ATOM 957 CB LEU A 65 -3.882 3.201 -2.264 1.00 0.00 C ATOM 958 CG LEU A 65 -3.868 2.078 -3.301 1.00 0.00 C ATOM 959 CD1 LEU A 65 -4.030 2.644 -4.703 1.00 0.00 C ATOM 960 CD2 LEU A 65 -2.583 1.269 -3.195 1.00 0.00 C ATOM 0 H LEU A 65 -4.831 4.253 0.162 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.765 4.164 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.343 4.054 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.328 2.866 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.709 1.414 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.018 1.830 -5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.978 3.178 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.211 3.331 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.591 0.474 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.727 1.921 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.510 0.832 -2.199 1.00 0.00 H new ATOM 972 N THR A 66 -7.332 2.413 -1.874 1.00 0.00 N ATOM 973 CA THR A 66 -8.237 1.323 -1.533 1.00 0.00 C ATOM 974 C THR A 66 -7.871 0.049 -2.286 1.00 0.00 C ATOM 975 O THR A 66 -7.895 0.016 -3.517 1.00 0.00 O ATOM 976 CB THR A 66 -9.700 1.689 -1.847 1.00 0.00 C ATOM 977 OG1 THR A 66 -10.054 2.905 -1.179 1.00 0.00 O ATOM 978 CG2 THR A 66 -10.641 0.574 -1.415 1.00 0.00 C ATOM 0 H THR A 66 -7.722 3.097 -2.522 1.00 0.00 H new ATOM 0 HA THR A 66 -8.135 1.151 -0.462 1.00 0.00 H new ATOM 0 HB THR A 66 -9.795 1.826 -2.924 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.985 3.132 -1.385 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.668 0.855 -1.647 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.387 -0.343 -1.947 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.543 0.410 -0.342 1.00 0.00 H new ATOM 986 N ILE A 67 -7.533 -0.997 -1.540 1.00 0.00 N ATOM 987 CA ILE A 67 -7.164 -2.274 -2.139 1.00 0.00 C ATOM 988 C ILE A 67 -8.168 -3.363 -1.774 1.00 0.00 C ATOM 989 O ILE A 67 -8.397 -3.641 -0.597 1.00 0.00 O ATOM 990 CB ILE A 67 -5.758 -2.719 -1.694 1.00 0.00 C ATOM 991 CG1 ILE A 67 -4.779 -1.546 -1.777 1.00 0.00 C ATOM 992 CG2 ILE A 67 -5.276 -3.881 -2.550 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.651 -1.629 -0.774 1.00 0.00 C ATOM 0 H ILE A 67 -7.507 -0.986 -0.520 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.166 -2.128 -3.219 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.808 -3.053 -0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.359 -1.505 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.325 -0.616 -1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.281 -4.185 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.964 -4.720 -2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.237 -3.572 -3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.996 -0.765 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.062 -1.640 0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.080 -2.542 -0.943 1.00 0.00 H new ATOM 1005 N SER A 68 -8.764 -3.976 -2.792 1.00 0.00 N ATOM 1006 CA SER A 68 -9.745 -5.034 -2.579 1.00 0.00 C ATOM 1007 C SER A 68 -9.224 -6.370 -3.098 1.00 0.00 C ATOM 1008 O SER A 68 -8.210 -6.427 -3.793 1.00 0.00 O ATOM 1009 CB SER A 68 -11.063 -4.683 -3.273 1.00 0.00 C ATOM 1010 OG SER A 68 -11.625 -3.501 -2.730 1.00 0.00 O ATOM 0 H SER A 68 -8.585 -3.758 -3.772 1.00 0.00 H new ATOM 0 HA SER A 68 -9.920 -5.124 -1.507 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.891 -4.551 -4.341 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.767 -5.508 -3.163 1.00 0.00 H new ATOM 0 HG SER A 68 -12.465 -3.297 -3.191 1.00 0.00 H new ATOM 1016 N ALA A 69 -9.926 -7.445 -2.755 1.00 0.00 N ATOM 1017 CA ALA A 69 -9.538 -8.782 -3.187 1.00 0.00 C ATOM 1018 C ALA A 69 -8.164 -9.157 -2.642 1.00 0.00 C ATOM 1019 O ALA A 69 -7.351 -9.763 -3.342 1.00 0.00 O ATOM 1020 CB ALA A 69 -9.547 -8.869 -4.706 1.00 0.00 C ATOM 0 H ALA A 69 -10.767 -7.416 -2.179 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.264 -9.491 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.255 -9.873 -5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.549 -8.652 -5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.843 -8.145 -5.116 1.00 0.00 H new ATOM 1026 N LEU A 70 -7.909 -8.793 -1.390 1.00 0.00 N ATOM 1027 CA LEU A 70 -6.632 -9.091 -0.751 1.00 0.00 C ATOM 1028 C LEU A 70 -6.382 -10.595 -0.709 1.00 0.00 C ATOM 1029 O LEU A 70 -7.274 -11.390 -1.002 1.00 0.00 O ATOM 1030 CB LEU A 70 -6.604 -8.519 0.668 1.00 0.00 C ATOM 1031 CG LEU A 70 -7.045 -7.062 0.812 1.00 0.00 C ATOM 1032 CD1 LEU A 70 -7.661 -6.824 2.182 1.00 0.00 C ATOM 1033 CD2 LEU A 70 -5.869 -6.123 0.585 1.00 0.00 C ATOM 0 H LEU A 70 -8.570 -8.291 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.842 -8.626 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.243 -9.136 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.589 -8.611 1.056 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.801 -6.855 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.969 -5.782 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.530 -7.470 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.926 -7.049 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.202 -5.091 0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.091 -6.331 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.471 -6.274 -0.418 1.00 0.00 H new ATOM 1045 N GLU A 71 -5.163 -10.977 -0.342 1.00 0.00 N ATOM 1046 CA GLU A 71 -4.796 -12.386 -0.261 1.00 0.00 C ATOM 1047 C GLU A 71 -3.448 -12.559 0.433 1.00 0.00 C ATOM 1048 O GLU A 71 -2.667 -11.613 0.542 1.00 0.00 O ATOM 1049 CB GLU A 71 -4.746 -13.004 -1.660 1.00 0.00 C ATOM 1050 CG GLU A 71 -3.542 -12.563 -2.476 1.00 0.00 C ATOM 1051 CD GLU A 71 -3.160 -13.571 -3.543 1.00 0.00 C ATOM 1052 OE1 GLU A 71 -2.868 -14.731 -3.184 1.00 0.00 O ATOM 1053 OE2 GLU A 71 -3.153 -13.201 -4.735 1.00 0.00 O ATOM 0 H GLU A 71 -4.413 -10.331 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.556 -12.900 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.734 -14.090 -1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.656 -12.739 -2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.759 -11.605 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.694 -12.406 -1.810 1.00 0.00 H new ATOM 1060 N LYS A 72 -3.182 -13.773 0.901 1.00 0.00 N ATOM 1061 CA LYS A 72 -1.928 -14.073 1.584 1.00 0.00 C ATOM 1062 C LYS A 72 -0.753 -13.399 0.883 1.00 0.00 C ATOM 1063 O LYS A 72 0.198 -12.959 1.530 1.00 0.00 O ATOM 1064 CB LYS A 72 -1.703 -15.585 1.640 1.00 0.00 C ATOM 1065 CG LYS A 72 -2.556 -16.289 2.681 1.00 0.00 C ATOM 1066 CD LYS A 72 -2.509 -17.798 2.513 1.00 0.00 C ATOM 1067 CE LYS A 72 -3.739 -18.464 3.110 1.00 0.00 C ATOM 1068 NZ LYS A 72 -3.996 -19.800 2.504 1.00 0.00 N ATOM 0 H LYS A 72 -3.818 -14.566 0.820 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.994 -13.684 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.915 -16.012 0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.652 -15.780 1.852 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.208 -16.022 3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.587 -15.945 2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.438 -18.045 1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.612 -18.191 2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.606 -18.573 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.608 -17.824 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.842 -20.221 2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.148 -19.694 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.177 -20.420 2.670 1.00 0.00 H new ATOM 1082 N ALA A 73 -0.825 -13.319 -0.441 1.00 0.00 N ATOM 1083 CA ALA A 73 0.231 -12.695 -1.228 1.00 0.00 C ATOM 1084 C ALA A 73 0.347 -11.208 -0.911 1.00 0.00 C ATOM 1085 O ALA A 73 1.437 -10.705 -0.640 1.00 0.00 O ATOM 1086 CB ALA A 73 -0.025 -12.902 -2.714 1.00 0.00 C ATOM 0 H ALA A 73 -1.604 -13.679 -0.992 1.00 0.00 H new ATOM 0 HA ALA A 73 1.176 -13.170 -0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.772 -12.431 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.049 -13.969 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.981 -12.454 -2.984 1.00 0.00 H new ATOM 1092 N ASP A 74 -0.783 -10.511 -0.947 1.00 0.00 N ATOM 1093 CA ASP A 74 -0.809 -9.081 -0.663 1.00 0.00 C ATOM 1094 C ASP A 74 0.222 -8.720 0.402 1.00 0.00 C ATOM 1095 O ASP A 74 0.910 -7.705 0.295 1.00 0.00 O ATOM 1096 CB ASP A 74 -2.204 -8.655 -0.205 1.00 0.00 C ATOM 1097 CG ASP A 74 -3.161 -8.461 -1.365 1.00 0.00 C ATOM 1098 OD1 ASP A 74 -3.230 -7.332 -1.895 1.00 0.00 O ATOM 1099 OD2 ASP A 74 -3.839 -9.439 -1.743 1.00 0.00 O ATOM 0 H ASP A 74 -1.693 -10.913 -1.170 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.559 -8.549 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.607 -9.408 0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.130 -7.726 0.360 1.00 0.00 H new ATOM 1104 N SER A 75 0.323 -9.558 1.429 1.00 0.00 N ATOM 1105 CA SER A 75 1.267 -9.325 2.516 1.00 0.00 C ATOM 1106 C SER A 75 2.631 -8.912 1.972 1.00 0.00 C ATOM 1107 O SER A 75 3.455 -9.758 1.623 1.00 0.00 O ATOM 1108 CB SER A 75 1.407 -10.582 3.376 1.00 0.00 C ATOM 1109 OG SER A 75 0.175 -10.923 3.986 1.00 0.00 O ATOM 0 H SER A 75 -0.237 -10.404 1.531 1.00 0.00 H new ATOM 0 HA SER A 75 0.881 -8.513 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.753 -11.412 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.163 -10.419 4.144 1.00 0.00 H new ATOM 0 HG SER A 75 0.291 -11.731 4.529 1.00 0.00 H new ATOM 1115 N ASP A 76 2.863 -7.606 1.902 1.00 0.00 N ATOM 1116 CA ASP A 76 4.127 -7.079 1.402 1.00 0.00 C ATOM 1117 C ASP A 76 4.330 -5.635 1.853 1.00 0.00 C ATOM 1118 O ASP A 76 3.534 -5.095 2.621 1.00 0.00 O ATOM 1119 CB ASP A 76 4.169 -7.160 -0.125 1.00 0.00 C ATOM 1120 CG ASP A 76 4.446 -8.566 -0.622 1.00 0.00 C ATOM 1121 OD1 ASP A 76 5.617 -8.997 -0.560 1.00 0.00 O ATOM 1122 OD2 ASP A 76 3.492 -9.234 -1.071 1.00 0.00 O ATOM 0 H ASP A 76 2.192 -6.892 2.185 1.00 0.00 H new ATOM 0 HA ASP A 76 4.934 -7.686 1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.218 -6.815 -0.531 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.939 -6.486 -0.501 1.00 0.00 H new ATOM 1127 N THR A 77 5.403 -5.016 1.370 1.00 0.00 N ATOM 1128 CA THR A 77 5.713 -3.636 1.724 1.00 0.00 C ATOM 1129 C THR A 77 5.289 -2.676 0.619 1.00 0.00 C ATOM 1130 O THR A 77 5.702 -2.819 -0.532 1.00 0.00 O ATOM 1131 CB THR A 77 7.217 -3.452 2.001 1.00 0.00 C ATOM 1132 OG1 THR A 77 7.643 -4.362 3.020 1.00 0.00 O ATOM 1133 CG2 THR A 77 7.516 -2.024 2.431 1.00 0.00 C ATOM 0 H THR A 77 6.072 -5.448 0.733 1.00 0.00 H new ATOM 0 HA THR A 77 5.154 -3.409 2.632 1.00 0.00 H new ATOM 0 HB THR A 77 7.762 -3.659 1.080 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.601 -4.239 3.189 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.584 -1.917 2.621 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.218 -1.336 1.640 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.961 -1.794 3.340 1.00 0.00 H new ATOM 1141 N TYR A 78 4.464 -1.698 0.975 1.00 0.00 N ATOM 1142 CA TYR A 78 3.983 -0.715 0.012 1.00 0.00 C ATOM 1143 C TYR A 78 4.790 0.576 0.102 1.00 0.00 C ATOM 1144 O TYR A 78 5.355 0.898 1.148 1.00 0.00 O ATOM 1145 CB TYR A 78 2.501 -0.420 0.249 1.00 0.00 C ATOM 1146 CG TYR A 78 1.599 -1.608 -0.002 1.00 0.00 C ATOM 1147 CD1 TYR A 78 1.769 -2.795 0.701 1.00 0.00 C ATOM 1148 CD2 TYR A 78 0.578 -1.544 -0.942 1.00 0.00 C ATOM 1149 CE1 TYR A 78 0.949 -3.883 0.474 1.00 0.00 C ATOM 1150 CE2 TYR A 78 -0.248 -2.626 -1.174 1.00 0.00 C ATOM 1151 CZ TYR A 78 -0.059 -3.793 -0.463 1.00 0.00 C ATOM 1152 OH TYR A 78 -0.879 -4.874 -0.693 1.00 0.00 O ATOM 0 H TYR A 78 4.114 -1.565 1.924 1.00 0.00 H new ATOM 0 HA TYR A 78 4.108 -1.132 -0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.366 -0.083 1.277 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.195 0.401 -0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.556 -2.868 1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.428 -0.632 -1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.096 -4.799 1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.037 -2.559 -1.908 1.00 0.00 H new ATOM 0 HH TYR A 78 -1.537 -4.645 -1.382 1.00 0.00 H new ATOM 1162 N THR A 79 4.840 1.313 -1.003 1.00 0.00 N ATOM 1163 CA THR A 79 5.578 2.569 -1.051 1.00 0.00 C ATOM 1164 C THR A 79 4.806 3.632 -1.824 1.00 0.00 C ATOM 1165 O THR A 79 4.710 3.574 -3.050 1.00 0.00 O ATOM 1166 CB THR A 79 6.962 2.383 -1.701 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.728 1.428 -0.958 1.00 0.00 O ATOM 1168 CG2 THR A 79 7.713 3.705 -1.763 1.00 0.00 C ATOM 0 H THR A 79 4.378 1.062 -1.877 1.00 0.00 H new ATOM 0 HA THR A 79 5.709 2.897 -0.020 1.00 0.00 H new ATOM 0 HB THR A 79 6.815 2.019 -2.718 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.606 1.314 -1.379 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.687 3.549 -2.226 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.141 4.421 -2.354 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.849 4.094 -0.754 1.00 0.00 H new ATOM 1176 N CYS A 80 4.257 4.601 -1.100 1.00 0.00 N ATOM 1177 CA CYS A 80 3.492 5.678 -1.719 1.00 0.00 C ATOM 1178 C CYS A 80 4.389 6.869 -2.038 1.00 0.00 C ATOM 1179 O CYS A 80 4.955 7.491 -1.139 1.00 0.00 O ATOM 1180 CB CYS A 80 2.351 6.115 -0.798 1.00 0.00 C ATOM 1181 SG CYS A 80 1.437 7.558 -1.391 1.00 0.00 S ATOM 0 H CYS A 80 4.327 4.663 -0.084 1.00 0.00 H new ATOM 0 HA CYS A 80 3.073 5.303 -2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.657 5.283 -0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 80 2.759 6.336 0.188 1.00 0.00 H new ATOM 0 HG CYS A 80 0.207 7.220 -1.640 1.00 0.00 H new ATOM 1187 N ASP A 81 4.516 7.180 -3.323 1.00 0.00 N ATOM 1188 CA ASP A 81 5.346 8.296 -3.761 1.00 0.00 C ATOM 1189 C ASP A 81 4.485 9.436 -4.297 1.00 0.00 C ATOM 1190 O ASP A 81 3.470 9.204 -4.955 1.00 0.00 O ATOM 1191 CB ASP A 81 6.331 7.836 -4.837 1.00 0.00 C ATOM 1192 CG ASP A 81 6.939 8.996 -5.600 1.00 0.00 C ATOM 1193 OD1 ASP A 81 6.189 9.698 -6.310 1.00 0.00 O ATOM 1194 OD2 ASP A 81 8.166 9.203 -5.487 1.00 0.00 O ATOM 0 H ASP A 81 4.055 6.675 -4.080 1.00 0.00 H new ATOM 0 HA ASP A 81 5.905 8.660 -2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.127 7.254 -4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.819 7.174 -5.535 1.00 0.00 H new ATOM 1199 N ILE A 82 4.895 10.666 -4.009 1.00 0.00 N ATOM 1200 CA ILE A 82 4.161 11.841 -4.461 1.00 0.00 C ATOM 1201 C ILE A 82 4.984 12.655 -5.454 1.00 0.00 C ATOM 1202 O ILE A 82 4.462 13.539 -6.132 1.00 0.00 O ATOM 1203 CB ILE A 82 3.762 12.745 -3.280 1.00 0.00 C ATOM 1204 CG1 ILE A 82 4.998 13.135 -2.467 1.00 0.00 C ATOM 1205 CG2 ILE A 82 2.741 12.043 -2.397 1.00 0.00 C ATOM 1206 CD1 ILE A 82 4.711 14.140 -1.374 1.00 0.00 C ATOM 0 H ILE A 82 5.732 10.875 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 82 3.258 11.479 -4.952 1.00 0.00 H new ATOM 0 HB ILE A 82 3.308 13.654 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.427 12.238 -2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.750 13.547 -3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.469 12.695 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.852 11.811 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.170 11.120 -2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.633 14.369 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.310 15.053 -1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.983 13.723 -0.679 1.00 0.00 H new ATOM 1218 N GLY A 83 6.276 12.348 -5.536 1.00 0.00 N ATOM 1219 CA GLY A 83 7.151 13.059 -6.450 1.00 0.00 C ATOM 1220 C GLY A 83 8.416 13.551 -5.776 1.00 0.00 C ATOM 1221 O GLY A 83 9.464 13.659 -6.414 1.00 0.00 O ATOM 0 H GLY A 83 6.732 11.620 -4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.416 12.403 -7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.615 13.908 -6.875 1.00 0.00 H new ATOM 1225 N GLN A 84 8.320 13.850 -4.485 1.00 0.00 N ATOM 1226 CA GLN A 84 9.466 14.336 -3.726 1.00 0.00 C ATOM 1227 C GLN A 84 9.845 13.352 -2.623 1.00 0.00 C ATOM 1228 O GLN A 84 11.020 13.046 -2.429 1.00 0.00 O ATOM 1229 CB GLN A 84 9.161 15.707 -3.120 1.00 0.00 C ATOM 1230 CG GLN A 84 8.830 16.769 -4.156 1.00 0.00 C ATOM 1231 CD GLN A 84 9.894 16.887 -5.230 1.00 0.00 C ATOM 1232 OE1 GLN A 84 9.616 16.708 -6.417 1.00 0.00 O ATOM 1233 NE2 GLN A 84 11.119 17.191 -4.819 1.00 0.00 N ATOM 0 H GLN A 84 7.460 13.764 -3.943 1.00 0.00 H new ATOM 0 HA GLN A 84 10.309 14.430 -4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.323 15.612 -2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.020 16.036 -2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.874 16.531 -4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.712 17.732 -3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.304 17.331 -3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.876 17.285 -5.497 1.00 0.00 H new ATOM 1242 N ALA A 85 8.840 12.862 -1.904 1.00 0.00 N ATOM 1243 CA ALA A 85 9.068 11.912 -0.822 1.00 0.00 C ATOM 1244 C ALA A 85 8.249 10.642 -1.025 1.00 0.00 C ATOM 1245 O ALA A 85 7.385 10.584 -1.900 1.00 0.00 O ATOM 1246 CB ALA A 85 8.733 12.550 0.518 1.00 0.00 C ATOM 0 H ALA A 85 7.861 13.107 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 85 10.123 11.637 -0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.908 11.830 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.365 13.424 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.686 12.853 0.525 1.00 0.00 H new ATOM 1252 N GLN A 86 8.528 9.628 -0.213 1.00 0.00 N ATOM 1253 CA GLN A 86 7.817 8.358 -0.305 1.00 0.00 C ATOM 1254 C GLN A 86 7.705 7.696 1.064 1.00 0.00 C ATOM 1255 O GLN A 86 8.657 7.695 1.844 1.00 0.00 O ATOM 1256 CB GLN A 86 8.530 7.421 -1.282 1.00 0.00 C ATOM 1257 CG GLN A 86 8.826 8.057 -2.630 1.00 0.00 C ATOM 1258 CD GLN A 86 10.007 9.007 -2.580 1.00 0.00 C ATOM 1259 OE1 GLN A 86 10.839 8.934 -1.676 1.00 0.00 O ATOM 1260 NE2 GLN A 86 10.085 9.906 -3.554 1.00 0.00 N ATOM 0 H GLN A 86 9.241 9.661 0.516 1.00 0.00 H new ATOM 0 HA GLN A 86 6.811 8.559 -0.673 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.466 7.087 -0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.915 6.534 -1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.025 7.274 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.944 8.597 -2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.373 9.931 -4.284 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.857 10.572 -3.573 1.00 0.00 H new ATOM 1269 N SER A 87 6.535 7.133 1.349 1.00 0.00 N ATOM 1270 CA SER A 87 6.296 6.471 2.627 1.00 0.00 C ATOM 1271 C SER A 87 6.385 4.956 2.478 1.00 0.00 C ATOM 1272 O SER A 87 6.631 4.441 1.386 1.00 0.00 O ATOM 1273 CB SER A 87 4.924 6.861 3.179 1.00 0.00 C ATOM 1274 OG SER A 87 4.619 6.127 4.352 1.00 0.00 O ATOM 0 H SER A 87 5.738 7.122 0.713 1.00 0.00 H new ATOM 0 HA SER A 87 7.066 6.796 3.326 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.907 7.928 3.399 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.160 6.679 2.424 1.00 0.00 H new ATOM 0 HG SER A 87 4.797 6.681 5.140 1.00 0.00 H new ATOM 1280 N ARG A 88 6.183 4.246 3.583 1.00 0.00 N ATOM 1281 CA ARG A 88 6.241 2.789 3.577 1.00 0.00 C ATOM 1282 C ARG A 88 5.421 2.207 4.724 1.00 0.00 C ATOM 1283 O ARG A 88 5.412 2.747 5.830 1.00 0.00 O ATOM 1284 CB ARG A 88 7.692 2.315 3.681 1.00 0.00 C ATOM 1285 CG ARG A 88 8.421 2.287 2.348 1.00 0.00 C ATOM 1286 CD ARG A 88 9.586 1.309 2.370 1.00 0.00 C ATOM 1287 NE ARG A 88 10.423 1.429 1.180 1.00 0.00 N ATOM 1288 CZ ARG A 88 11.397 2.323 1.054 1.00 0.00 C ATOM 1289 NH1 ARG A 88 11.655 3.171 2.039 1.00 0.00 N ATOM 1290 NH2 ARG A 88 12.116 2.369 -0.061 1.00 0.00 N ATOM 0 H ARG A 88 5.978 4.656 4.494 1.00 0.00 H new ATOM 0 HA ARG A 88 5.817 2.438 2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.231 2.969 4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.708 1.315 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.725 2.007 1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.788 3.286 2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.192 1.487 3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.203 0.291 2.443 1.00 0.00 H new ATOM 0 HE ARG A 88 10.250 0.791 0.403 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.105 3.138 2.897 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.404 3.856 1.939 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.920 1.718 -0.821 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.864 3.056 -0.158 1.00 0.00 H new ATOM 1304 N ALA A 89 4.732 1.104 4.453 1.00 0.00 N ATOM 1305 CA ALA A 89 3.910 0.448 5.462 1.00 0.00 C ATOM 1306 C ALA A 89 3.780 -1.045 5.179 1.00 0.00 C ATOM 1307 O ALA A 89 3.684 -1.460 4.025 1.00 0.00 O ATOM 1308 CB ALA A 89 2.536 1.097 5.526 1.00 0.00 C ATOM 0 H ALA A 89 4.727 0.645 3.542 1.00 0.00 H new ATOM 0 HA ALA A 89 4.401 0.566 6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.932 0.597 6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.643 2.151 5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.046 1.009 4.556 1.00 0.00 H new ATOM 1314 N GLN A 90 3.777 -1.845 6.240 1.00 0.00 N ATOM 1315 CA GLN A 90 3.660 -3.292 6.104 1.00 0.00 C ATOM 1316 C GLN A 90 2.212 -3.740 6.279 1.00 0.00 C ATOM 1317 O GLN A 90 1.517 -3.285 7.188 1.00 0.00 O ATOM 1318 CB GLN A 90 4.551 -3.996 7.129 1.00 0.00 C ATOM 1319 CG GLN A 90 6.033 -3.709 6.945 1.00 0.00 C ATOM 1320 CD GLN A 90 6.824 -3.878 8.227 1.00 0.00 C ATOM 1321 OE1 GLN A 90 6.831 -4.952 8.829 1.00 0.00 O ATOM 1322 NE2 GLN A 90 7.495 -2.815 8.654 1.00 0.00 N ATOM 0 H GLN A 90 3.854 -1.516 7.202 1.00 0.00 H new ATOM 0 HA GLN A 90 3.987 -3.565 5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.251 -3.688 8.131 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.387 -5.072 7.063 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.436 -4.376 6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.159 -2.691 6.576 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.462 -1.944 8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.044 -2.869 9.512 1.00 0.00 H new ATOM 1331 N LEU A 91 1.765 -4.633 5.404 1.00 0.00 N ATOM 1332 CA LEU A 91 0.399 -5.143 5.462 1.00 0.00 C ATOM 1333 C LEU A 91 0.376 -6.585 5.958 1.00 0.00 C ATOM 1334 O LEU A 91 1.291 -7.362 5.681 1.00 0.00 O ATOM 1335 CB LEU A 91 -0.258 -5.055 4.083 1.00 0.00 C ATOM 1336 CG LEU A 91 -1.587 -5.793 3.924 1.00 0.00 C ATOM 1337 CD1 LEU A 91 -2.639 -5.203 4.851 1.00 0.00 C ATOM 1338 CD2 LEU A 91 -2.058 -5.740 2.478 1.00 0.00 C ATOM 0 H LEU A 91 2.328 -5.019 4.646 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.162 -4.528 6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.419 -4.003 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.442 -5.445 3.344 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.435 -6.837 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.579 -5.741 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.305 -5.294 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.788 -4.151 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.005 -6.271 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.193 -4.701 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.314 -6.210 1.835 1.00 0.00 H new ATOM 1350 N LEU A 92 -0.675 -6.937 6.689 1.00 0.00 N ATOM 1351 CA LEU A 92 -0.819 -8.287 7.222 1.00 0.00 C ATOM 1352 C LEU A 92 -2.158 -8.894 6.815 1.00 0.00 C ATOM 1353 O LEU A 92 -3.217 -8.411 7.214 1.00 0.00 O ATOM 1354 CB LEU A 92 -0.696 -8.271 8.747 1.00 0.00 C ATOM 1355 CG LEU A 92 -1.202 -9.517 9.474 1.00 0.00 C ATOM 1356 CD1 LEU A 92 -0.563 -10.770 8.895 1.00 0.00 C ATOM 1357 CD2 LEU A 92 -0.921 -9.414 10.966 1.00 0.00 C ATOM 0 H LEU A 92 -1.441 -6.306 6.926 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.021 -8.902 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.353 -8.125 9.005 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.241 -7.407 9.126 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.280 -9.585 9.331 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.935 -11.647 9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.815 -10.851 7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.520 -10.711 9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.288 -10.309 11.468 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.153 -9.321 11.128 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.427 -8.538 11.372 1.00 0.00 H new ATOM 1369 N VAL A 93 -2.102 -9.957 6.019 1.00 0.00 N ATOM 1370 CA VAL A 93 -3.310 -10.633 5.560 1.00 0.00 C ATOM 1371 C VAL A 93 -3.603 -11.868 6.403 1.00 0.00 C ATOM 1372 O VAL A 93 -3.159 -12.970 6.082 1.00 0.00 O ATOM 1373 CB VAL A 93 -3.193 -11.049 4.082 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -4.379 -11.911 3.674 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -3.084 -9.822 3.190 1.00 0.00 C ATOM 0 H VAL A 93 -1.233 -10.369 5.679 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.130 -9.922 5.666 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.285 -11.640 3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.279 -12.195 2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.407 -12.808 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.302 -11.348 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.002 -10.135 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.972 -9.202 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.200 -9.248 3.467 1.00 0.00 H new ATOM 1385 N GLN A 94 -4.353 -11.677 7.483 1.00 0.00 N ATOM 1386 CA GLN A 94 -4.705 -12.777 8.374 1.00 0.00 C ATOM 1387 C GLN A 94 -5.514 -13.837 7.634 1.00 0.00 C ATOM 1388 O GLN A 94 -6.614 -13.570 7.152 1.00 0.00 O ATOM 1389 CB GLN A 94 -5.500 -12.256 9.573 1.00 0.00 C ATOM 1390 CG GLN A 94 -4.680 -11.390 10.516 1.00 0.00 C ATOM 1391 CD GLN A 94 -5.186 -11.442 11.944 1.00 0.00 C ATOM 1392 OE1 GLN A 94 -6.259 -10.924 12.254 1.00 0.00 O ATOM 1393 NE2 GLN A 94 -4.414 -12.069 12.823 1.00 0.00 N ATOM 0 H GLN A 94 -4.729 -10.771 7.763 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.782 -13.233 8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.351 -11.679 9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.902 -13.104 10.128 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.640 -11.716 10.491 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.699 -10.358 10.165 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.532 -12.484 12.522 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -4.703 -12.136 13.799 1.00 0.00 H new