USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 60 TYR OH : rot 2:sc= -6.33! USER MOD Set 1.2: A 90 GLN : amide:sc= 0 X(o=-6.3,f=-6.6) USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= -5.14! USER MOD Set 2.2: A 40 TYR OH : rot 165:sc= -1.01 USER MOD Set 2.3: A 49 ASN : amide:sc= -3.63! C(o=-9.6!,f=-8.6!) USER MOD Set 2.4: A 50 SER OG : rot 142:sc= 0.147 USER MOD Set 3.1: A 14 GLN : amide:sc= -1.82 K(o=-3.7,f=-0.79) USER MOD Set 3.2: A 37 TYR OH : rot -113:sc= -1.87! USER MOD Single : A 6 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -5.5! C(o=-5.5!,f=-3.9!) USER MOD Single : A 17 SER OG : rot -125:sc= -0.957 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.2!) USER MOD Single : A 23 GLN : amide:sc= -0.581 K(o=-0.58,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -120:sc= -1.43 USER MOD Single : A 32 HIS : no HE2:sc= -10.4! C(o=-10!,f=-9.3!) USER MOD Single : A 34 THR OG1 : rot -79:sc=-0.00587 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.196 X(o=-0.2,f=0.035) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -9.93! C(o=-9.9!,f=-7.4!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -2.72! K(o=-2.7!,f=-1.9) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -5.62! C(o=-5.6!,f=-12!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 166:sc= 0.00498 (180deg=0.000478) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 9.794 3.267 -7.505 1.00 0.00 N ATOM 80 CA TYR A 6 9.370 2.271 -8.526 1.00 0.00 C ATOM 81 C TYR A 6 8.306 2.912 -9.414 1.00 0.00 C ATOM 82 O TYR A 6 7.827 3.993 -9.131 1.00 0.00 O ATOM 83 CB TYR A 6 8.782 1.037 -7.835 1.00 0.00 C ATOM 84 CG TYR A 6 9.578 0.717 -6.591 1.00 0.00 C ATOM 85 CD1 TYR A 6 10.813 0.066 -6.697 1.00 0.00 C ATOM 86 CD2 TYR A 6 9.078 1.066 -5.331 1.00 0.00 C ATOM 87 CE1 TYR A 6 11.546 -0.237 -5.543 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.813 0.764 -4.177 1.00 0.00 C ATOM 89 CZ TYR A 6 11.046 0.113 -4.283 1.00 0.00 C ATOM 90 OH TYR A 6 11.770 -0.186 -3.147 1.00 0.00 O ATOM 0 HA TYR A 6 10.228 1.965 -9.125 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.739 1.218 -7.574 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.797 0.186 -8.516 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.200 -0.202 -7.669 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.125 1.568 -5.248 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.498 -0.741 -5.625 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.427 1.034 -3.205 1.00 0.00 H new ATOM 0 HH TYR A 6 12.727 -0.180 -3.358 1.00 0.00 H new ATOM 100 N SER A 7 7.918 2.262 -10.476 1.00 0.00 N ATOM 101 CA SER A 7 6.869 2.854 -11.350 1.00 0.00 C ATOM 102 C SER A 7 5.676 3.207 -10.465 1.00 0.00 C ATOM 103 O SER A 7 5.734 3.062 -9.262 1.00 0.00 O ATOM 104 CB SER A 7 6.445 1.839 -12.412 1.00 0.00 C ATOM 105 OG SER A 7 7.317 1.937 -13.530 1.00 0.00 O ATOM 0 H SER A 7 8.278 1.355 -10.774 1.00 0.00 H new ATOM 0 HA SER A 7 7.248 3.742 -11.855 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.475 0.830 -12.000 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.417 2.027 -12.721 1.00 0.00 H new ATOM 0 HG SER A 7 7.049 1.286 -14.212 1.00 0.00 H new ATOM 111 N TYR A 8 4.588 3.655 -11.024 1.00 0.00 N ATOM 112 CA TYR A 8 3.429 3.986 -10.151 1.00 0.00 C ATOM 113 C TYR A 8 2.535 2.763 -9.998 1.00 0.00 C ATOM 114 O TYR A 8 1.347 2.863 -9.766 1.00 0.00 O ATOM 115 CB TYR A 8 2.641 5.160 -10.721 1.00 0.00 C ATOM 116 CG TYR A 8 2.706 6.262 -9.701 1.00 0.00 C ATOM 117 CD1 TYR A 8 2.341 5.992 -8.379 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.163 7.531 -10.059 1.00 0.00 C ATOM 119 CE1 TYR A 8 2.430 6.990 -7.412 1.00 0.00 C ATOM 120 CE2 TYR A 8 3.249 8.535 -9.093 1.00 0.00 C ATOM 121 CZ TYR A 8 2.885 8.267 -7.770 1.00 0.00 C ATOM 122 OH TYR A 8 2.978 9.264 -6.821 1.00 0.00 O ATOM 0 H TYR A 8 4.451 3.804 -12.024 1.00 0.00 H new ATOM 0 HA TYR A 8 3.801 4.278 -9.169 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.066 5.486 -11.670 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.607 4.874 -10.916 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.989 5.008 -8.107 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.449 7.736 -11.080 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.150 6.781 -6.390 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.597 9.520 -9.368 1.00 0.00 H new ATOM 0 HH TYR A 8 3.312 10.084 -7.240 1.00 0.00 H new ATOM 132 N ALA A 9 3.115 1.606 -10.114 1.00 0.00 N ATOM 133 CA ALA A 9 2.333 0.351 -9.963 1.00 0.00 C ATOM 134 C ALA A 9 3.117 -0.651 -9.098 1.00 0.00 C ATOM 135 O ALA A 9 2.593 -1.664 -8.688 1.00 0.00 O ATOM 136 CB ALA A 9 2.067 -0.251 -11.340 1.00 0.00 C ATOM 0 H ALA A 9 4.107 1.474 -10.309 1.00 0.00 H new ATOM 0 HA ALA A 9 1.383 0.573 -9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.494 -1.171 -11.230 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.502 0.459 -11.944 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.015 -0.471 -11.830 1.00 0.00 H new ATOM 142 N GLN A 10 4.363 -0.370 -8.804 1.00 0.00 N ATOM 143 CA GLN A 10 5.162 -1.297 -7.952 1.00 0.00 C ATOM 144 C GLN A 10 4.910 -0.933 -6.493 1.00 0.00 C ATOM 145 O GLN A 10 5.028 -1.753 -5.604 1.00 0.00 O ATOM 146 CB GLN A 10 6.649 -1.139 -8.272 1.00 0.00 C ATOM 147 CG GLN A 10 7.175 -2.424 -8.914 1.00 0.00 C ATOM 148 CD GLN A 10 8.310 -2.084 -9.880 1.00 0.00 C ATOM 149 OE1 GLN A 10 8.071 -1.755 -11.025 1.00 0.00 O ATOM 150 NE2 GLN A 10 9.546 -2.151 -9.466 1.00 0.00 N ATOM 0 H GLN A 10 4.860 0.463 -9.119 1.00 0.00 H new ATOM 0 HA GLN A 10 4.871 -2.330 -8.141 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.799 -0.296 -8.946 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.206 -0.921 -7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.531 -3.108 -8.144 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.371 -2.933 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.748 -2.427 -8.505 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.310 -1.927 -10.103 1.00 0.00 H new ATOM 159 N LEU A 11 4.529 0.292 -6.247 1.00 0.00 N ATOM 160 CA LEU A 11 4.229 0.703 -4.845 1.00 0.00 C ATOM 161 C LEU A 11 2.903 0.063 -4.506 1.00 0.00 C ATOM 162 O LEU A 11 2.578 -0.167 -3.359 1.00 0.00 O ATOM 163 CB LEU A 11 4.090 2.237 -4.664 1.00 0.00 C ATOM 164 CG LEU A 11 4.661 3.017 -5.842 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.980 2.402 -6.298 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.645 2.998 -6.976 1.00 0.00 C ATOM 0 H LEU A 11 4.413 1.021 -6.951 1.00 0.00 H new ATOM 0 HA LEU A 11 5.052 0.392 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.037 2.491 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.601 2.540 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 11 4.857 4.046 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.375 2.971 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.696 2.426 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.813 1.369 -6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.039 3.553 -7.827 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.451 1.967 -7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.717 3.460 -6.641 1.00 0.00 H new ATOM 178 N ILE A 12 2.120 -0.230 -5.507 1.00 0.00 N ATOM 179 CA ILE A 12 0.821 -0.852 -5.231 1.00 0.00 C ATOM 180 C ILE A 12 0.978 -2.366 -5.149 1.00 0.00 C ATOM 181 O ILE A 12 0.642 -2.967 -4.166 1.00 0.00 O ATOM 182 CB ILE A 12 -0.204 -0.542 -6.312 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.047 0.880 -6.903 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.582 -0.685 -5.680 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.447 1.876 -5.854 1.00 0.00 C ATOM 0 H ILE A 12 2.331 -0.063 -6.491 1.00 0.00 H new ATOM 0 HA ILE A 12 0.468 -0.443 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.059 -1.234 -7.141 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.654 0.852 -7.737 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.004 1.216 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.348 -0.470 -6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.709 -1.703 -5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.676 0.016 -4.850 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.545 2.863 -6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.267 1.923 -5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.416 1.553 -5.474 1.00 0.00 H new ATOM 197 N VAL A 13 1.462 -2.999 -6.182 1.00 0.00 N ATOM 198 CA VAL A 13 1.599 -4.482 -6.128 1.00 0.00 C ATOM 199 C VAL A 13 2.348 -4.889 -4.862 1.00 0.00 C ATOM 200 O VAL A 13 1.965 -5.812 -4.178 1.00 0.00 O ATOM 201 CB VAL A 13 2.373 -4.984 -7.339 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.419 -6.510 -7.285 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.667 -4.535 -8.618 1.00 0.00 C ATOM 0 H VAL A 13 1.765 -2.560 -7.051 1.00 0.00 H new ATOM 0 HA VAL A 13 0.601 -4.921 -6.126 1.00 0.00 H new ATOM 0 HB VAL A 13 3.385 -4.580 -7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.970 -6.888 -8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.916 -6.827 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.403 -6.905 -7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.221 -4.894 -9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.657 -4.943 -8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.619 -3.446 -8.644 1.00 0.00 H new ATOM 213 N GLN A 14 3.408 -4.215 -4.530 1.00 0.00 N ATOM 214 CA GLN A 14 4.146 -4.585 -3.294 1.00 0.00 C ATOM 215 C GLN A 14 3.313 -4.143 -2.092 1.00 0.00 C ATOM 216 O GLN A 14 3.416 -4.683 -1.008 1.00 0.00 O ATOM 217 CB GLN A 14 5.500 -3.874 -3.272 1.00 0.00 C ATOM 218 CG GLN A 14 6.618 -4.906 -3.130 1.00 0.00 C ATOM 219 CD GLN A 14 7.959 -4.183 -3.002 1.00 0.00 C ATOM 220 OE1 GLN A 14 8.839 -4.630 -2.292 1.00 0.00 O ATOM 221 NE2 GLN A 14 8.156 -3.076 -3.665 1.00 0.00 N ATOM 0 H GLN A 14 3.794 -3.430 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 14 4.314 -5.661 -3.261 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.636 -3.300 -4.188 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.537 -3.166 -2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.443 -5.530 -2.254 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.630 -5.568 -3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.418 -2.700 -4.261 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.048 -2.587 -3.587 1.00 0.00 H new ATOM 230 N ALA A 15 2.493 -3.149 -2.288 1.00 0.00 N ATOM 231 CA ALA A 15 1.640 -2.631 -1.184 1.00 0.00 C ATOM 232 C ALA A 15 0.537 -3.645 -0.814 1.00 0.00 C ATOM 233 O ALA A 15 0.369 -3.991 0.339 1.00 0.00 O ATOM 234 CB ALA A 15 1.012 -1.308 -1.642 1.00 0.00 C ATOM 0 H ALA A 15 2.377 -2.667 -3.179 1.00 0.00 H new ATOM 0 HA ALA A 15 2.251 -2.472 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.382 -0.910 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.800 -0.592 -1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.407 -1.481 -2.532 1.00 0.00 H new ATOM 240 N ILE A 16 -0.226 -4.109 -1.774 1.00 0.00 N ATOM 241 CA ILE A 16 -1.326 -5.081 -1.462 1.00 0.00 C ATOM 242 C ILE A 16 -0.791 -6.518 -1.453 1.00 0.00 C ATOM 243 O ILE A 16 -1.154 -7.317 -0.615 1.00 0.00 O ATOM 244 CB ILE A 16 -2.464 -4.977 -2.499 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.118 -3.976 -3.613 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.738 -4.511 -1.792 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.374 -3.660 -4.428 1.00 0.00 C ATOM 0 H ILE A 16 -0.137 -3.859 -2.759 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.715 -4.830 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.607 -5.958 -2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.713 -3.061 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.346 -4.391 -4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.549 -4.434 -2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.009 -5.230 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.565 -3.536 -1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.127 -2.950 -5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.759 -4.577 -4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.132 -3.227 -3.775 1.00 0.00 H new ATOM 259 N SER A 17 0.051 -6.856 -2.386 1.00 0.00 N ATOM 260 CA SER A 17 0.594 -8.247 -2.438 1.00 0.00 C ATOM 261 C SER A 17 1.223 -8.612 -1.094 1.00 0.00 C ATOM 262 O SER A 17 1.032 -9.697 -0.583 1.00 0.00 O ATOM 263 CB SER A 17 1.659 -8.337 -3.529 1.00 0.00 C ATOM 264 OG SER A 17 1.854 -9.699 -3.885 1.00 0.00 O ATOM 0 H SER A 17 0.390 -6.231 -3.118 1.00 0.00 H new ATOM 0 HA SER A 17 -0.220 -8.938 -2.656 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.351 -7.762 -4.402 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.595 -7.904 -3.176 1.00 0.00 H new ATOM 0 HG SER A 17 2.802 -9.928 -3.794 1.00 0.00 H new ATOM 270 N SER A 18 1.978 -7.719 -0.523 1.00 0.00 N ATOM 271 CA SER A 18 2.628 -8.021 0.786 1.00 0.00 C ATOM 272 C SER A 18 1.602 -7.882 1.914 1.00 0.00 C ATOM 273 O SER A 18 1.812 -8.350 3.016 1.00 0.00 O ATOM 274 CB SER A 18 3.778 -7.044 1.018 1.00 0.00 C ATOM 275 OG SER A 18 4.870 -7.396 0.180 1.00 0.00 O ATOM 0 H SER A 18 2.175 -6.793 -0.903 1.00 0.00 H new ATOM 0 HA SER A 18 3.013 -9.041 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.454 -6.026 0.804 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.085 -7.067 2.064 1.00 0.00 H new ATOM 0 HG SER A 18 5.609 -6.769 0.326 1.00 0.00 H new ATOM 281 N ALA A 19 0.497 -7.245 1.649 1.00 0.00 N ATOM 282 CA ALA A 19 -0.541 -7.077 2.704 1.00 0.00 C ATOM 283 C ALA A 19 -1.012 -8.454 3.177 1.00 0.00 C ATOM 284 O ALA A 19 -0.501 -9.473 2.756 1.00 0.00 O ATOM 285 CB ALA A 19 -1.730 -6.304 2.129 1.00 0.00 C ATOM 0 H ALA A 19 0.267 -6.832 0.745 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.120 -6.526 3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.491 -6.180 2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.396 -5.324 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.151 -6.856 1.289 1.00 0.00 H new ATOM 291 N GLN A 20 -1.985 -8.495 4.046 1.00 0.00 N ATOM 292 CA GLN A 20 -2.484 -9.809 4.538 1.00 0.00 C ATOM 293 C GLN A 20 -2.725 -10.732 3.342 1.00 0.00 C ATOM 294 O GLN A 20 -1.888 -11.538 2.986 1.00 0.00 O ATOM 295 CB GLN A 20 -3.795 -9.608 5.302 1.00 0.00 C ATOM 296 CG GLN A 20 -3.544 -8.732 6.528 1.00 0.00 C ATOM 297 CD GLN A 20 -2.885 -9.567 7.629 1.00 0.00 C ATOM 298 OE1 GLN A 20 -3.233 -10.713 7.829 1.00 0.00 O ATOM 299 NE2 GLN A 20 -1.943 -9.035 8.361 1.00 0.00 N ATOM 0 H GLN A 20 -2.454 -7.677 4.435 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.746 -10.255 5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.537 -9.141 4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.201 -10.572 5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.903 -7.892 6.262 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.484 -8.314 6.888 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.650 -8.072 8.194 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.501 -9.582 9.100 1.00 0.00 H new ATOM 308 N ASP A 21 -3.861 -10.614 2.714 1.00 0.00 N ATOM 309 CA ASP A 21 -4.158 -11.476 1.538 1.00 0.00 C ATOM 310 C ASP A 21 -3.672 -10.776 0.269 1.00 0.00 C ATOM 311 O ASP A 21 -2.708 -11.184 -0.351 1.00 0.00 O ATOM 312 CB ASP A 21 -5.669 -11.701 1.450 1.00 0.00 C ATOM 313 CG ASP A 21 -5.949 -13.032 0.748 1.00 0.00 C ATOM 314 OD1 ASP A 21 -5.005 -13.638 0.271 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.105 -13.421 0.700 1.00 0.00 O ATOM 0 H ASP A 21 -4.598 -9.956 2.966 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.652 -12.435 1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.105 -11.706 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.137 -10.883 0.902 1.00 0.00 H new ATOM 320 N ARG A 22 -4.332 -9.721 -0.120 1.00 0.00 N ATOM 321 CA ARG A 22 -3.916 -8.983 -1.344 1.00 0.00 C ATOM 322 C ARG A 22 -4.879 -7.818 -1.571 1.00 0.00 C ATOM 323 O ARG A 22 -5.197 -7.473 -2.692 1.00 0.00 O ATOM 324 CB ARG A 22 -3.961 -9.922 -2.550 1.00 0.00 C ATOM 325 CG ARG A 22 -5.346 -10.564 -2.647 1.00 0.00 C ATOM 326 CD ARG A 22 -5.206 -12.003 -3.145 1.00 0.00 C ATOM 327 NE ARG A 22 -6.547 -12.652 -3.173 1.00 0.00 N ATOM 328 CZ ARG A 22 -6.641 -13.950 -3.274 1.00 0.00 C ATOM 329 NH1 ARG A 22 -6.109 -14.566 -4.294 1.00 0.00 N ATOM 330 NH2 ARG A 22 -7.271 -14.631 -2.357 1.00 0.00 N ATOM 0 H ARG A 22 -5.146 -9.337 0.360 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.900 -8.607 -1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.740 -9.369 -3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.197 -10.693 -2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.834 -10.551 -1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.977 -9.992 -3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.765 -12.013 -4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.534 -12.561 -2.493 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.391 -12.082 -3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.619 -14.033 -5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.183 -15.580 -4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.690 -14.149 -1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.345 -15.645 -2.435 1.00 0.00 H new ATOM 344 N GLN A 23 -5.352 -7.215 -0.516 1.00 0.00 N ATOM 345 CA GLN A 23 -6.303 -6.081 -0.677 1.00 0.00 C ATOM 346 C GLN A 23 -5.926 -4.945 0.273 1.00 0.00 C ATOM 347 O GLN A 23 -5.479 -5.167 1.380 1.00 0.00 O ATOM 348 CB GLN A 23 -7.721 -6.560 -0.363 1.00 0.00 C ATOM 349 CG GLN A 23 -7.841 -6.860 1.134 1.00 0.00 C ATOM 350 CD GLN A 23 -9.203 -7.496 1.422 1.00 0.00 C ATOM 351 OE1 GLN A 23 -9.325 -8.321 2.305 1.00 0.00 O ATOM 352 NE2 GLN A 23 -10.237 -7.147 0.708 1.00 0.00 N ATOM 0 H GLN A 23 -5.122 -7.458 0.448 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.257 -5.717 -1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.445 -5.798 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.951 -7.454 -0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.041 -7.532 1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.728 -5.941 1.710 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.134 -6.454 -0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.148 -7.567 0.891 1.00 0.00 H new ATOM 361 N LEU A 24 -6.105 -3.725 -0.156 1.00 0.00 N ATOM 362 CA LEU A 24 -5.764 -2.571 0.708 1.00 0.00 C ATOM 363 C LEU A 24 -6.846 -1.505 0.578 1.00 0.00 C ATOM 364 O LEU A 24 -7.476 -1.369 -0.453 1.00 0.00 O ATOM 365 CB LEU A 24 -4.446 -1.961 0.243 1.00 0.00 C ATOM 366 CG LEU A 24 -3.272 -2.804 0.735 1.00 0.00 C ATOM 367 CD1 LEU A 24 -1.986 -2.274 0.102 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.171 -2.698 2.258 1.00 0.00 C ATOM 0 H LEU A 24 -6.476 -3.482 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.684 -2.911 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.429 -1.900 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.355 -0.942 0.620 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.421 -3.847 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.139 -2.868 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.060 -2.342 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.840 -1.233 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.333 -3.300 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.014 -1.657 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.094 -3.062 2.710 1.00 0.00 H new ATOM 380 N THR A 25 -7.044 -0.721 1.596 1.00 0.00 N ATOM 381 CA THR A 25 -8.052 0.361 1.499 1.00 0.00 C ATOM 382 C THR A 25 -7.402 1.510 0.735 1.00 0.00 C ATOM 383 O THR A 25 -6.266 1.409 0.317 1.00 0.00 O ATOM 384 CB THR A 25 -8.449 0.827 2.900 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.406 1.629 3.442 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.687 -0.393 3.792 1.00 0.00 C ATOM 0 H THR A 25 -6.553 -0.783 2.488 1.00 0.00 H new ATOM 0 HA THR A 25 -8.950 0.013 0.989 1.00 0.00 H new ATOM 0 HB THR A 25 -9.365 1.416 2.848 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.658 1.931 4.340 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.970 -0.063 4.792 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.487 -1.001 3.370 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.773 -0.985 3.850 1.00 0.00 H new ATOM 394 N LEU A 26 -8.082 2.600 0.547 1.00 0.00 N ATOM 395 CA LEU A 26 -7.435 3.719 -0.190 1.00 0.00 C ATOM 396 C LEU A 26 -6.215 4.183 0.608 1.00 0.00 C ATOM 397 O LEU A 26 -5.188 4.520 0.055 1.00 0.00 O ATOM 398 CB LEU A 26 -8.411 4.884 -0.373 1.00 0.00 C ATOM 399 CG LEU A 26 -8.206 5.488 -1.763 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.536 6.029 -2.288 1.00 0.00 C ATOM 401 CD2 LEU A 26 -7.193 6.633 -1.676 1.00 0.00 C ATOM 0 H LEU A 26 -9.038 2.766 0.863 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.132 3.375 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.438 4.537 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.244 5.640 0.395 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.833 4.719 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.388 6.459 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.260 5.217 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.909 6.797 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.046 7.065 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.568 7.400 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.243 6.251 -1.302 1.00 0.00 H new ATOM 413 N SER A 27 -6.321 4.188 1.909 1.00 0.00 N ATOM 414 CA SER A 27 -5.171 4.616 2.754 1.00 0.00 C ATOM 415 C SER A 27 -4.434 3.384 3.288 1.00 0.00 C ATOM 416 O SER A 27 -3.817 3.428 4.334 1.00 0.00 O ATOM 417 CB SER A 27 -5.684 5.443 3.929 1.00 0.00 C ATOM 418 OG SER A 27 -4.720 6.432 4.267 1.00 0.00 O ATOM 0 H SER A 27 -7.157 3.913 2.424 1.00 0.00 H new ATOM 0 HA SER A 27 -4.487 5.215 2.153 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.631 5.916 3.669 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.875 4.798 4.786 1.00 0.00 H new ATOM 0 HG SER A 27 -5.049 6.965 5.021 1.00 0.00 H new ATOM 424 N GLY A 28 -4.484 2.288 2.583 1.00 0.00 N ATOM 425 CA GLY A 28 -3.774 1.064 3.060 1.00 0.00 C ATOM 426 C GLY A 28 -2.460 0.953 2.301 1.00 0.00 C ATOM 427 O GLY A 28 -1.402 0.744 2.864 1.00 0.00 O ATOM 0 H GLY A 28 -4.984 2.185 1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.590 1.125 4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.387 0.179 2.891 1.00 0.00 H new ATOM 431 N ILE A 29 -2.538 1.112 1.018 1.00 0.00 N ATOM 432 CA ILE A 29 -1.340 1.046 0.156 1.00 0.00 C ATOM 433 C ILE A 29 -0.293 2.032 0.654 1.00 0.00 C ATOM 434 O ILE A 29 0.895 1.852 0.470 1.00 0.00 O ATOM 435 CB ILE A 29 -1.796 1.450 -1.230 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.719 1.157 -2.253 1.00 0.00 C ATOM 437 CG2 ILE A 29 -2.111 2.947 -1.249 1.00 0.00 C ATOM 438 CD1 ILE A 29 -1.112 1.852 -3.544 1.00 0.00 C ATOM 0 H ILE A 29 -3.409 1.290 0.518 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.899 0.049 0.161 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.688 0.877 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.249 1.516 -1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.622 0.083 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.439 3.237 -2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.902 3.162 -0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.217 3.510 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.355 1.661 -4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.074 1.469 -3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.189 2.925 -3.370 1.00 0.00 H new ATOM 450 N TYR A 30 -0.737 3.079 1.270 1.00 0.00 N ATOM 451 CA TYR A 30 0.206 4.108 1.779 1.00 0.00 C ATOM 452 C TYR A 30 0.903 3.602 3.038 1.00 0.00 C ATOM 453 O TYR A 30 2.098 3.385 3.047 1.00 0.00 O ATOM 454 CB TYR A 30 -0.575 5.386 2.079 1.00 0.00 C ATOM 455 CG TYR A 30 -1.438 5.703 0.883 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.953 5.454 -0.399 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.717 6.230 1.051 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.736 5.730 -1.520 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.509 6.507 -0.071 1.00 0.00 C ATOM 460 CZ TYR A 30 -3.019 6.259 -1.357 1.00 0.00 C ATOM 461 OH TYR A 30 -3.800 6.533 -2.462 1.00 0.00 O ATOM 0 H TYR A 30 -1.723 3.272 1.447 1.00 0.00 H new ATOM 0 HA TYR A 30 0.968 4.316 1.028 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.191 5.255 2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.109 6.210 2.284 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.038 5.044 -0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.097 6.424 2.043 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.352 5.535 -2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.501 6.913 0.058 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.017 7.489 -2.480 1.00 0.00 H new ATOM 471 N ALA A 31 0.178 3.413 4.098 1.00 0.00 N ATOM 472 CA ALA A 31 0.814 2.925 5.352 1.00 0.00 C ATOM 473 C ALA A 31 1.530 1.595 5.096 1.00 0.00 C ATOM 474 O ALA A 31 2.331 1.154 5.897 1.00 0.00 O ATOM 475 CB ALA A 31 -0.264 2.724 6.419 1.00 0.00 C ATOM 0 H ALA A 31 -0.828 3.574 4.154 1.00 0.00 H new ATOM 0 HA ALA A 31 1.542 3.661 5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.197 2.366 7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.768 3.671 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.990 1.991 6.069 1.00 0.00 H new ATOM 481 N HIS A 32 1.249 0.942 3.999 1.00 0.00 N ATOM 482 CA HIS A 32 1.916 -0.362 3.727 1.00 0.00 C ATOM 483 C HIS A 32 3.346 -0.148 3.212 1.00 0.00 C ATOM 484 O HIS A 32 4.304 -0.264 3.949 1.00 0.00 O ATOM 485 CB HIS A 32 1.108 -1.143 2.689 1.00 0.00 C ATOM 486 CG HIS A 32 1.763 -2.476 2.461 1.00 0.00 C ATOM 487 ND1 HIS A 32 1.182 -3.664 2.872 1.00 0.00 N ATOM 488 CD2 HIS A 32 2.956 -2.823 1.879 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.020 -4.662 2.536 1.00 0.00 C ATOM 490 NE2 HIS A 32 3.117 -4.203 1.926 1.00 0.00 N ATOM 0 H HIS A 32 0.591 1.254 3.285 1.00 0.00 H new ATOM 0 HA HIS A 32 1.966 -0.927 4.658 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.084 -1.281 3.035 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.056 -0.584 1.754 1.00 0.00 H new ATOM 0 HD1 HIS A 32 0.283 -3.764 3.343 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.663 -2.129 1.449 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.829 -5.706 2.735 1.00 0.00 H new ATOM 498 N ILE A 33 3.496 0.132 1.944 1.00 0.00 N ATOM 499 CA ILE A 33 4.862 0.318 1.364 1.00 0.00 C ATOM 500 C ILE A 33 5.608 1.465 2.039 1.00 0.00 C ATOM 501 O ILE A 33 6.819 1.500 2.046 1.00 0.00 O ATOM 502 CB ILE A 33 4.748 0.639 -0.117 1.00 0.00 C ATOM 503 CG1 ILE A 33 3.702 1.734 -0.322 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.344 -0.616 -0.886 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.411 3.037 -0.701 1.00 0.00 C ATOM 0 H ILE A 33 2.729 0.241 1.281 1.00 0.00 H new ATOM 0 HA ILE A 33 5.414 -0.608 1.523 1.00 0.00 H new ATOM 0 HB ILE A 33 5.712 0.988 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.003 1.444 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.120 1.874 0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.263 -0.382 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.098 -1.390 -0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.382 -0.974 -0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.671 3.824 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.093 3.326 0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.974 2.890 -1.623 1.00 0.00 H new ATOM 517 N THR A 34 4.913 2.412 2.583 1.00 0.00 N ATOM 518 CA THR A 34 5.623 3.554 3.225 1.00 0.00 C ATOM 519 C THR A 34 6.581 3.011 4.286 1.00 0.00 C ATOM 520 O THR A 34 7.621 3.579 4.548 1.00 0.00 O ATOM 521 CB THR A 34 4.612 4.496 3.884 1.00 0.00 C ATOM 522 OG1 THR A 34 3.708 3.739 4.675 1.00 0.00 O ATOM 523 CG2 THR A 34 3.841 5.260 2.805 1.00 0.00 C ATOM 0 H THR A 34 3.894 2.452 2.615 1.00 0.00 H new ATOM 0 HA THR A 34 6.180 4.106 2.468 1.00 0.00 H new ATOM 0 HB THR A 34 5.139 5.209 4.519 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.032 3.329 4.097 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.122 5.930 3.277 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.538 5.842 2.203 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.313 4.553 2.166 1.00 0.00 H new ATOM 531 N LYS A 35 6.244 1.908 4.891 1.00 0.00 N ATOM 532 CA LYS A 35 7.142 1.327 5.926 1.00 0.00 C ATOM 533 C LYS A 35 8.183 0.419 5.259 1.00 0.00 C ATOM 534 O LYS A 35 9.241 0.169 5.803 1.00 0.00 O ATOM 535 CB LYS A 35 6.308 0.509 6.916 1.00 0.00 C ATOM 536 CG LYS A 35 7.153 0.179 8.147 1.00 0.00 C ATOM 537 CD LYS A 35 7.744 -1.224 7.996 1.00 0.00 C ATOM 538 CE LYS A 35 8.737 -1.486 9.129 1.00 0.00 C ATOM 539 NZ LYS A 35 8.504 -2.848 9.688 1.00 0.00 N ATOM 0 H LYS A 35 5.387 1.384 4.714 1.00 0.00 H new ATOM 0 HA LYS A 35 7.655 2.131 6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.421 1.070 7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.961 -0.410 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.952 0.912 8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.541 0.233 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.949 -1.969 8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.244 -1.317 7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.759 -1.403 8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.620 -0.735 9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.179 -3.027 10.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.533 -2.911 10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.637 -3.558 8.940 1.00 0.00 H new ATOM 553 N HIS A 36 7.890 -0.089 4.091 1.00 0.00 N ATOM 554 CA HIS A 36 8.860 -0.993 3.403 1.00 0.00 C ATOM 555 C HIS A 36 9.519 -0.281 2.217 1.00 0.00 C ATOM 556 O HIS A 36 10.205 -0.897 1.426 1.00 0.00 O ATOM 557 CB HIS A 36 8.119 -2.229 2.892 1.00 0.00 C ATOM 558 CG HIS A 36 7.401 -2.897 4.032 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.047 -3.749 4.915 1.00 0.00 N ATOM 560 CD2 HIS A 36 6.092 -2.854 4.444 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.134 -4.180 5.804 1.00 0.00 C ATOM 562 NE2 HIS A 36 5.925 -3.665 5.563 1.00 0.00 N ATOM 0 H HIS A 36 7.022 0.082 3.584 1.00 0.00 H new ATOM 0 HA HIS A 36 9.634 -1.280 4.115 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.406 -1.944 2.118 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.823 -2.924 2.436 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.310 -2.278 3.971 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.352 -4.860 6.614 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.065 -3.830 6.086 1.00 0.00 H new ATOM 570 N TYR A 37 9.321 1.001 2.074 1.00 0.00 N ATOM 571 CA TYR A 37 9.943 1.720 0.925 1.00 0.00 C ATOM 572 C TYR A 37 11.006 2.694 1.439 1.00 0.00 C ATOM 573 O TYR A 37 10.949 3.131 2.571 1.00 0.00 O ATOM 574 CB TYR A 37 8.863 2.495 0.160 1.00 0.00 C ATOM 575 CG TYR A 37 8.320 1.651 -0.975 1.00 0.00 C ATOM 576 CD1 TYR A 37 8.510 0.263 -0.977 1.00 0.00 C ATOM 577 CD2 TYR A 37 7.625 2.260 -2.027 1.00 0.00 C ATOM 578 CE1 TYR A 37 8.006 -0.514 -2.027 1.00 0.00 C ATOM 579 CE2 TYR A 37 7.121 1.483 -3.077 1.00 0.00 C ATOM 580 CZ TYR A 37 7.311 0.095 -3.077 1.00 0.00 C ATOM 581 OH TYR A 37 6.819 -0.670 -4.114 1.00 0.00 O ATOM 0 H TYR A 37 8.759 1.579 2.699 1.00 0.00 H new ATOM 0 HA TYR A 37 10.411 0.996 0.258 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.055 2.771 0.837 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.280 3.422 -0.233 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.046 -0.209 -0.167 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.478 3.330 -2.028 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.154 -1.584 -2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.585 1.954 -3.888 1.00 0.00 H new ATOM 0 HH TYR A 37 7.297 -0.448 -4.940 1.00 0.00 H new ATOM 591 N PRO A 38 11.950 3.002 0.584 1.00 0.00 N ATOM 592 CA PRO A 38 13.050 3.924 0.912 1.00 0.00 C ATOM 593 C PRO A 38 12.567 5.374 0.852 1.00 0.00 C ATOM 594 O PRO A 38 12.582 6.084 1.838 1.00 0.00 O ATOM 595 CB PRO A 38 14.087 3.649 -0.181 1.00 0.00 C ATOM 596 CG PRO A 38 13.313 3.026 -1.368 1.00 0.00 C ATOM 597 CD PRO A 38 12.002 2.460 -0.791 1.00 0.00 C ATOM 0 HA PRO A 38 13.447 3.778 1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.587 4.569 -0.483 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.860 2.970 0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.108 3.775 -2.133 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.899 2.239 -1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.139 2.776 -1.377 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.005 1.370 -0.790 1.00 0.00 H new ATOM 605 N TYR A 39 12.138 5.818 -0.296 1.00 0.00 N ATOM 606 CA TYR A 39 11.653 7.220 -0.414 1.00 0.00 C ATOM 607 C TYR A 39 10.249 7.323 0.181 1.00 0.00 C ATOM 608 O TYR A 39 9.967 8.194 0.980 1.00 0.00 O ATOM 609 CB TYR A 39 11.615 7.630 -1.887 1.00 0.00 C ATOM 610 CG TYR A 39 11.378 9.118 -1.985 1.00 0.00 C ATOM 611 CD1 TYR A 39 12.392 10.012 -1.625 1.00 0.00 C ATOM 612 CD2 TYR A 39 10.144 9.601 -2.435 1.00 0.00 C ATOM 613 CE1 TYR A 39 12.173 11.392 -1.715 1.00 0.00 C ATOM 614 CE2 TYR A 39 9.924 10.982 -2.526 1.00 0.00 C ATOM 615 CZ TYR A 39 10.939 11.877 -2.165 1.00 0.00 C ATOM 616 OH TYR A 39 10.723 13.237 -2.253 1.00 0.00 O ATOM 0 H TYR A 39 12.102 5.271 -1.156 1.00 0.00 H new ATOM 0 HA TYR A 39 12.328 7.883 0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.554 7.367 -2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.824 7.089 -2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.344 9.638 -1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.362 8.910 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 39 12.956 12.082 -1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.972 11.356 -2.874 1.00 0.00 H new ATOM 0 HH TYR A 39 9.816 13.403 -2.584 1.00 0.00 H new ATOM 626 N TYR A 40 9.364 6.443 -0.199 1.00 0.00 N ATOM 627 CA TYR A 40 7.984 6.496 0.350 1.00 0.00 C ATOM 628 C TYR A 40 8.009 6.063 1.817 1.00 0.00 C ATOM 629 O TYR A 40 8.066 4.889 2.125 1.00 0.00 O ATOM 630 CB TYR A 40 7.082 5.561 -0.462 1.00 0.00 C ATOM 631 CG TYR A 40 6.606 6.276 -1.710 1.00 0.00 C ATOM 632 CD1 TYR A 40 7.257 7.438 -2.145 1.00 0.00 C ATOM 633 CD2 TYR A 40 5.512 5.780 -2.429 1.00 0.00 C ATOM 634 CE1 TYR A 40 6.816 8.103 -3.292 1.00 0.00 C ATOM 635 CE2 TYR A 40 5.072 6.446 -3.580 1.00 0.00 C ATOM 636 CZ TYR A 40 5.724 7.607 -4.010 1.00 0.00 C ATOM 637 OH TYR A 40 5.287 8.263 -5.141 1.00 0.00 O ATOM 0 H TYR A 40 9.539 5.691 -0.866 1.00 0.00 H new ATOM 0 HA TYR A 40 7.594 7.512 0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.628 4.657 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.228 5.249 0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.102 7.821 -1.592 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.008 4.885 -2.097 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.318 9.000 -3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.229 6.063 -4.136 1.00 0.00 H new ATOM 0 HH TYR A 40 4.688 7.676 -5.649 1.00 0.00 H new ATOM 647 N ARG A 41 7.976 7.000 2.727 1.00 0.00 N ATOM 648 CA ARG A 41 8.005 6.640 4.171 1.00 0.00 C ATOM 649 C ARG A 41 7.129 7.616 4.958 1.00 0.00 C ATOM 650 O ARG A 41 6.068 7.267 5.434 1.00 0.00 O ATOM 651 CB ARG A 41 9.444 6.711 4.686 1.00 0.00 C ATOM 652 CG ARG A 41 9.982 5.294 4.896 1.00 0.00 C ATOM 653 CD ARG A 41 11.209 5.340 5.808 1.00 0.00 C ATOM 654 NE ARG A 41 12.225 4.368 5.316 1.00 0.00 N ATOM 655 CZ ARG A 41 13.472 4.479 5.686 1.00 0.00 C ATOM 656 NH1 ARG A 41 13.805 5.322 6.626 1.00 0.00 N ATOM 657 NH2 ARG A 41 14.388 3.745 5.116 1.00 0.00 N ATOM 0 H ARG A 41 7.930 8.000 2.530 1.00 0.00 H new ATOM 0 HA ARG A 41 7.624 5.627 4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.070 7.247 3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.479 7.267 5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.211 4.663 5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.246 4.849 3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.628 6.346 5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.924 5.099 6.832 1.00 0.00 H new ATOM 0 HE ARG A 41 11.946 3.614 4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.090 5.896 7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.780 5.407 6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.129 3.085 4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.363 3.831 5.404 1.00 0.00 H new ATOM 671 N THR A 42 7.563 8.838 5.098 1.00 0.00 N ATOM 672 CA THR A 42 6.751 9.830 5.854 1.00 0.00 C ATOM 673 C THR A 42 5.929 10.669 4.872 1.00 0.00 C ATOM 674 O THR A 42 4.885 11.190 5.210 1.00 0.00 O ATOM 675 CB THR A 42 7.677 10.743 6.660 1.00 0.00 C ATOM 676 OG1 THR A 42 8.325 11.652 5.781 1.00 0.00 O ATOM 677 CG2 THR A 42 8.724 9.898 7.388 1.00 0.00 C ATOM 0 H THR A 42 8.443 9.191 4.722 1.00 0.00 H new ATOM 0 HA THR A 42 6.080 9.307 6.535 1.00 0.00 H new ATOM 0 HB THR A 42 7.092 11.300 7.392 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.917 12.239 6.296 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.383 10.550 7.962 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.225 9.202 8.062 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.311 9.339 6.659 1.00 0.00 H new ATOM 685 N ALA A 43 6.388 10.800 3.657 1.00 0.00 N ATOM 686 CA ALA A 43 5.627 11.602 2.659 1.00 0.00 C ATOM 687 C ALA A 43 4.242 10.980 2.469 1.00 0.00 C ATOM 688 O ALA A 43 3.972 9.893 2.940 1.00 0.00 O ATOM 689 CB ALA A 43 6.376 11.603 1.324 1.00 0.00 C ATOM 0 H ALA A 43 7.255 10.387 3.314 1.00 0.00 H new ATOM 0 HA ALA A 43 5.524 12.628 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.818 12.190 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.365 12.040 1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.479 10.579 0.964 1.00 0.00 H new ATOM 695 N ASP A 44 3.357 11.658 1.790 1.00 0.00 N ATOM 696 CA ASP A 44 1.994 11.092 1.585 1.00 0.00 C ATOM 697 C ASP A 44 1.203 11.974 0.618 1.00 0.00 C ATOM 698 O ASP A 44 0.590 11.494 -0.314 1.00 0.00 O ATOM 699 CB ASP A 44 1.265 11.034 2.928 1.00 0.00 C ATOM 700 CG ASP A 44 1.380 12.390 3.629 1.00 0.00 C ATOM 701 OD1 ASP A 44 2.379 12.608 4.296 1.00 0.00 O ATOM 702 OD2 ASP A 44 0.468 13.187 3.486 1.00 0.00 O ATOM 0 H ASP A 44 3.518 12.574 1.371 1.00 0.00 H new ATOM 0 HA ASP A 44 2.080 10.089 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.216 10.780 2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.694 10.251 3.554 1.00 0.00 H new ATOM 707 N LYS A 45 1.202 13.261 0.835 1.00 0.00 N ATOM 708 CA LYS A 45 0.440 14.165 -0.071 1.00 0.00 C ATOM 709 C LYS A 45 1.189 14.323 -1.395 1.00 0.00 C ATOM 710 O LYS A 45 1.891 15.291 -1.610 1.00 0.00 O ATOM 711 CB LYS A 45 0.282 15.536 0.593 1.00 0.00 C ATOM 712 CG LYS A 45 -0.654 16.406 -0.249 1.00 0.00 C ATOM 713 CD LYS A 45 -0.276 17.878 -0.076 1.00 0.00 C ATOM 714 CE LYS A 45 -0.832 18.687 -1.250 1.00 0.00 C ATOM 715 NZ LYS A 45 0.224 18.843 -2.290 1.00 0.00 N ATOM 0 H LYS A 45 1.695 13.724 1.599 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.543 13.736 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.119 15.420 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.254 16.019 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.584 16.123 -1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.688 16.247 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.675 18.259 0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.808 17.983 -0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.702 18.184 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.166 19.666 -0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.153 19.393 -3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.042 19.340 -1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.522 17.905 -2.626 1.00 0.00 H new ATOM 729 N GLY A 46 1.045 13.380 -2.286 1.00 0.00 N ATOM 730 CA GLY A 46 1.752 13.485 -3.595 1.00 0.00 C ATOM 731 C GLY A 46 1.470 12.246 -4.453 1.00 0.00 C ATOM 732 O GLY A 46 1.212 12.344 -5.637 1.00 0.00 O ATOM 0 H GLY A 46 0.471 12.545 -2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.426 14.382 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.825 13.585 -3.430 1.00 0.00 H new ATOM 736 N TRP A 47 1.532 11.081 -3.868 1.00 0.00 N ATOM 737 CA TRP A 47 1.286 9.836 -4.647 1.00 0.00 C ATOM 738 C TRP A 47 -0.055 9.226 -4.260 1.00 0.00 C ATOM 739 O TRP A 47 -0.687 8.560 -5.052 1.00 0.00 O ATOM 740 CB TRP A 47 2.407 8.824 -4.389 1.00 0.00 C ATOM 741 CG TRP A 47 2.423 8.352 -2.961 1.00 0.00 C ATOM 742 CD1 TRP A 47 2.623 9.131 -1.873 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.276 6.989 -2.459 1.00 0.00 C ATOM 744 NE1 TRP A 47 2.619 8.338 -0.743 1.00 0.00 N ATOM 745 CE2 TRP A 47 2.412 7.011 -1.051 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.044 5.749 -3.081 1.00 0.00 C ATOM 747 CZ2 TRP A 47 2.330 5.843 -0.292 1.00 0.00 C ATOM 748 CZ3 TRP A 47 1.957 4.575 -2.320 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.107 4.622 -0.931 1.00 0.00 C ATOM 0 H TRP A 47 1.743 10.938 -2.880 1.00 0.00 H new ATOM 0 HA TRP A 47 1.268 10.088 -5.707 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.282 7.968 -5.052 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.368 9.278 -4.632 1.00 0.00 H new ATOM 0 HD1 TRP A 47 2.763 10.202 -1.886 1.00 0.00 H new ATOM 0 HE1 TRP A 47 2.753 8.691 0.204 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.932 5.701 -4.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 2.438 5.883 0.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.773 3.630 -2.809 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.050 3.712 -0.351 1.00 0.00 H new ATOM 760 N GLN A 48 -0.496 9.434 -3.056 1.00 0.00 N ATOM 761 CA GLN A 48 -1.798 8.844 -2.653 1.00 0.00 C ATOM 762 C GLN A 48 -2.869 9.215 -3.703 1.00 0.00 C ATOM 763 O GLN A 48 -3.827 8.495 -3.902 1.00 0.00 O ATOM 764 CB GLN A 48 -2.178 9.333 -1.229 1.00 0.00 C ATOM 765 CG GLN A 48 -3.381 10.289 -1.252 1.00 0.00 C ATOM 766 CD GLN A 48 -3.039 11.511 -2.096 1.00 0.00 C ATOM 767 OE1 GLN A 48 -3.917 12.193 -2.585 1.00 0.00 O ATOM 768 NE2 GLN A 48 -1.788 11.821 -2.289 1.00 0.00 N ATOM 0 H GLN A 48 -0.018 9.981 -2.340 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.728 7.757 -2.614 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.410 8.473 -0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.323 9.837 -0.778 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.255 9.782 -1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.637 10.594 -0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.051 11.248 -1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.546 12.637 -2.851 1.00 0.00 H new ATOM 777 N ASN A 49 -2.705 10.328 -4.380 1.00 0.00 N ATOM 778 CA ASN A 49 -3.701 10.737 -5.416 1.00 0.00 C ATOM 779 C ASN A 49 -3.509 9.896 -6.674 1.00 0.00 C ATOM 780 O ASN A 49 -4.443 9.324 -7.200 1.00 0.00 O ATOM 781 CB ASN A 49 -3.535 12.226 -5.747 1.00 0.00 C ATOM 782 CG ASN A 49 -2.217 12.458 -6.489 1.00 0.00 C ATOM 783 OD1 ASN A 49 -1.182 12.625 -5.876 1.00 0.00 O ATOM 784 ND2 ASN A 49 -2.212 12.476 -7.794 1.00 0.00 N ATOM 0 H ASN A 49 -1.922 10.970 -4.258 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.707 10.575 -5.028 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.370 12.565 -6.360 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.553 12.814 -4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.339 12.630 -8.299 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.081 12.336 -8.309 1.00 0.00 H new ATOM 791 N SER A 50 -2.302 9.812 -7.161 1.00 0.00 N ATOM 792 CA SER A 50 -2.053 9.004 -8.380 1.00 0.00 C ATOM 793 C SER A 50 -2.356 7.544 -8.066 1.00 0.00 C ATOM 794 O SER A 50 -2.501 6.727 -8.949 1.00 0.00 O ATOM 795 CB SER A 50 -0.589 9.142 -8.797 1.00 0.00 C ATOM 796 OG SER A 50 -0.016 10.266 -8.140 1.00 0.00 O ATOM 0 H SER A 50 -1.480 10.269 -6.766 1.00 0.00 H new ATOM 0 HA SER A 50 -2.690 9.352 -9.193 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.039 8.237 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.517 9.263 -9.878 1.00 0.00 H new ATOM 0 HG SER A 50 0.904 10.057 -7.876 1.00 0.00 H new ATOM 802 N ILE A 51 -2.453 7.219 -6.807 1.00 0.00 N ATOM 803 CA ILE A 51 -2.744 5.817 -6.406 1.00 0.00 C ATOM 804 C ILE A 51 -4.228 5.529 -6.624 1.00 0.00 C ATOM 805 O ILE A 51 -4.582 4.673 -7.404 1.00 0.00 O ATOM 806 CB ILE A 51 -2.364 5.641 -4.916 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.874 5.254 -4.753 1.00 0.00 C ATOM 808 CG2 ILE A 51 -3.221 4.543 -4.273 1.00 0.00 C ATOM 809 CD1 ILE A 51 -0.290 4.687 -6.049 1.00 0.00 C ATOM 0 H ILE A 51 -2.342 7.873 -6.032 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.164 5.117 -7.007 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.542 6.597 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.302 6.131 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.775 4.517 -3.956 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.942 4.431 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.274 4.817 -4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.057 3.600 -4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.757 4.428 -5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.846 3.795 -6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.365 5.434 -6.839 1.00 0.00 H new ATOM 821 N ARG A 52 -5.098 6.229 -5.958 1.00 0.00 N ATOM 822 CA ARG A 52 -6.548 5.966 -6.161 1.00 0.00 C ATOM 823 C ARG A 52 -6.830 5.947 -7.664 1.00 0.00 C ATOM 824 O ARG A 52 -7.573 5.124 -8.163 1.00 0.00 O ATOM 825 CB ARG A 52 -7.365 7.076 -5.493 1.00 0.00 C ATOM 826 CG ARG A 52 -8.809 7.029 -5.996 1.00 0.00 C ATOM 827 CD ARG A 52 -9.610 8.157 -5.344 1.00 0.00 C ATOM 828 NE ARG A 52 -9.750 9.289 -6.303 1.00 0.00 N ATOM 829 CZ ARG A 52 -10.447 9.134 -7.396 1.00 0.00 C ATOM 830 NH1 ARG A 52 -11.493 8.355 -7.396 1.00 0.00 N ATOM 831 NH2 ARG A 52 -10.095 9.757 -8.488 1.00 0.00 N ATOM 0 H ARG A 52 -4.873 6.965 -5.288 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.825 5.009 -5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.343 6.955 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.924 8.048 -5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.832 7.132 -7.081 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.258 6.065 -5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.594 7.794 -5.048 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.109 8.495 -4.437 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.302 10.184 -6.106 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.766 7.868 -6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.038 8.233 -8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.276 10.365 -8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.639 9.636 -9.342 1.00 0.00 H new ATOM 845 N HIS A 53 -6.234 6.853 -8.386 1.00 0.00 N ATOM 846 CA HIS A 53 -6.444 6.911 -9.859 1.00 0.00 C ATOM 847 C HIS A 53 -5.653 5.798 -10.558 1.00 0.00 C ATOM 848 O HIS A 53 -6.004 5.358 -11.636 1.00 0.00 O ATOM 849 CB HIS A 53 -5.958 8.269 -10.368 1.00 0.00 C ATOM 850 CG HIS A 53 -6.918 8.789 -11.403 1.00 0.00 C ATOM 851 ND1 HIS A 53 -7.524 10.030 -11.293 1.00 0.00 N ATOM 852 CD2 HIS A 53 -7.388 8.245 -12.572 1.00 0.00 C ATOM 853 CE1 HIS A 53 -8.316 10.191 -12.368 1.00 0.00 C ATOM 854 NE2 HIS A 53 -8.270 9.133 -13.181 1.00 0.00 N ATOM 0 H HIS A 53 -5.603 7.564 -8.015 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.503 6.777 -10.077 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.882 8.974 -9.540 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.961 8.173 -10.797 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.115 7.275 -12.960 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.916 11.070 -12.551 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.773 9.003 -14.059 1.00 0.00 H new ATOM 862 N ASN A 54 -4.571 5.362 -9.972 1.00 0.00 N ATOM 863 CA ASN A 54 -3.738 4.307 -10.617 1.00 0.00 C ATOM 864 C ASN A 54 -4.444 2.949 -10.607 1.00 0.00 C ATOM 865 O ASN A 54 -4.398 2.220 -11.575 1.00 0.00 O ATOM 866 CB ASN A 54 -2.409 4.182 -9.871 1.00 0.00 C ATOM 867 CG ASN A 54 -1.307 4.871 -10.679 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.167 4.630 -11.862 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.518 5.725 -10.090 1.00 0.00 N ATOM 0 H ASN A 54 -4.227 5.693 -9.071 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.569 4.599 -11.653 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.489 4.636 -8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.162 3.131 -9.719 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.217 6.191 -10.622 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.636 5.927 -9.097 1.00 0.00 H new ATOM 876 N LEU A 55 -5.078 2.581 -9.526 1.00 0.00 N ATOM 877 CA LEU A 55 -5.742 1.246 -9.499 1.00 0.00 C ATOM 878 C LEU A 55 -6.777 1.180 -10.623 1.00 0.00 C ATOM 879 O LEU A 55 -7.236 0.119 -10.997 1.00 0.00 O ATOM 880 CB LEU A 55 -6.431 0.995 -8.145 1.00 0.00 C ATOM 881 CG LEU A 55 -5.578 1.487 -6.958 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.091 1.567 -7.318 1.00 0.00 C ATOM 883 CD2 LEU A 55 -6.086 2.856 -6.512 1.00 0.00 C ATOM 0 H LEU A 55 -5.164 3.136 -8.674 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.983 0.476 -9.640 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.396 1.501 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.628 -0.071 -8.032 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.675 0.768 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.526 1.918 -6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.733 0.579 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.954 2.261 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.488 3.210 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.005 3.561 -7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.129 2.775 -6.205 1.00 0.00 H new ATOM 895 N SER A 56 -7.143 2.307 -11.169 1.00 0.00 N ATOM 896 CA SER A 56 -8.143 2.313 -12.273 1.00 0.00 C ATOM 897 C SER A 56 -7.419 2.208 -13.619 1.00 0.00 C ATOM 898 O SER A 56 -7.938 1.664 -14.574 1.00 0.00 O ATOM 899 CB SER A 56 -8.940 3.615 -12.227 1.00 0.00 C ATOM 900 OG SER A 56 -9.227 4.038 -13.552 1.00 0.00 O ATOM 0 H SER A 56 -6.792 3.225 -10.897 1.00 0.00 H new ATOM 0 HA SER A 56 -8.819 1.466 -12.156 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.866 3.468 -11.671 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.372 4.384 -11.703 1.00 0.00 H new ATOM 0 HG SER A 56 -9.740 4.873 -13.525 1.00 0.00 H new ATOM 906 N LEU A 57 -6.226 2.732 -13.705 1.00 0.00 N ATOM 907 CA LEU A 57 -5.475 2.670 -14.992 1.00 0.00 C ATOM 908 C LEU A 57 -4.833 1.291 -15.154 1.00 0.00 C ATOM 909 O LEU A 57 -5.070 0.599 -16.124 1.00 0.00 O ATOM 910 CB LEU A 57 -4.382 3.741 -14.995 1.00 0.00 C ATOM 911 CG LEU A 57 -4.985 5.089 -14.593 1.00 0.00 C ATOM 912 CD1 LEU A 57 -3.864 6.048 -14.188 1.00 0.00 C ATOM 913 CD2 LEU A 57 -5.754 5.673 -15.780 1.00 0.00 C ATOM 0 H LEU A 57 -5.739 3.200 -12.940 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.164 2.845 -15.818 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.587 3.466 -14.302 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.932 3.813 -15.985 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.664 4.950 -13.752 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.293 7.008 -13.902 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.314 5.630 -13.345 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.185 6.190 -15.029 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.185 6.633 -15.497 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.074 5.814 -16.620 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.551 4.988 -16.069 1.00 0.00 H new ATOM 925 N ASN A 58 -4.010 0.894 -14.218 1.00 0.00 N ATOM 926 CA ASN A 58 -3.342 -0.441 -14.327 1.00 0.00 C ATOM 927 C ASN A 58 -4.352 -1.476 -14.829 1.00 0.00 C ATOM 928 O ASN A 58 -5.526 -1.406 -14.527 1.00 0.00 O ATOM 929 CB ASN A 58 -2.802 -0.894 -12.963 1.00 0.00 C ATOM 930 CG ASN A 58 -2.506 0.311 -12.064 1.00 0.00 C ATOM 931 OD1 ASN A 58 -3.058 0.426 -10.987 1.00 0.00 O ATOM 932 ND2 ASN A 58 -1.649 1.213 -12.454 1.00 0.00 N ATOM 0 H ASN A 58 -3.771 1.433 -13.385 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.510 -0.354 -15.026 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.529 -1.545 -12.478 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.894 -1.480 -13.103 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.443 2.013 -11.856 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.185 1.119 -13.357 1.00 0.00 H new ATOM 939 N ARG A 59 -3.908 -2.431 -15.601 1.00 0.00 N ATOM 940 CA ARG A 59 -4.852 -3.458 -16.128 1.00 0.00 C ATOM 941 C ARG A 59 -4.933 -4.656 -15.174 1.00 0.00 C ATOM 942 O ARG A 59 -5.524 -5.668 -15.495 1.00 0.00 O ATOM 943 CB ARG A 59 -4.383 -3.929 -17.509 1.00 0.00 C ATOM 944 CG ARG A 59 -3.182 -4.865 -17.360 1.00 0.00 C ATOM 945 CD ARG A 59 -2.015 -4.330 -18.193 1.00 0.00 C ATOM 946 NE ARG A 59 -1.499 -5.413 -19.076 1.00 0.00 N ATOM 947 CZ ARG A 59 -2.141 -5.725 -20.169 1.00 0.00 C ATOM 948 NH1 ARG A 59 -3.382 -5.355 -20.325 1.00 0.00 N ATOM 949 NH2 ARG A 59 -1.542 -6.407 -21.106 1.00 0.00 N ATOM 0 H ARG A 59 -2.936 -2.544 -15.889 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.843 -3.011 -16.211 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.195 -4.444 -18.022 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.112 -3.070 -18.123 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.892 -4.938 -16.312 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.447 -5.870 -17.688 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.342 -3.481 -18.793 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.221 -3.971 -17.538 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.644 -5.911 -18.827 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.851 -4.822 -19.593 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.883 -5.599 -21.179 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.572 -6.697 -20.985 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.044 -6.651 -21.960 1.00 0.00 H new ATOM 963 N TYR A 60 -4.365 -4.557 -13.999 1.00 0.00 N ATOM 964 CA TYR A 60 -4.451 -5.706 -13.052 1.00 0.00 C ATOM 965 C TYR A 60 -5.079 -5.244 -11.736 1.00 0.00 C ATOM 966 O TYR A 60 -5.617 -6.033 -10.989 1.00 0.00 O ATOM 967 CB TYR A 60 -3.062 -6.309 -12.786 1.00 0.00 C ATOM 968 CG TYR A 60 -2.003 -5.231 -12.643 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.704 -4.402 -13.725 1.00 0.00 C ATOM 970 CD2 TYR A 60 -1.285 -5.094 -11.444 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.699 -3.438 -13.620 1.00 0.00 C ATOM 972 CE2 TYR A 60 -0.285 -4.126 -11.339 1.00 0.00 C ATOM 973 CZ TYR A 60 0.011 -3.300 -12.427 1.00 0.00 C ATOM 974 OH TYR A 60 1.005 -2.352 -12.323 1.00 0.00 O ATOM 0 H TYR A 60 -3.853 -3.743 -13.659 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.075 -6.477 -13.504 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.094 -6.911 -11.878 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.793 -6.978 -13.603 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.253 -4.507 -14.649 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.506 -5.737 -10.605 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.472 -2.800 -14.461 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.262 -4.015 -10.414 1.00 0.00 H new ATOM 0 HH TYR A 60 1.062 -1.845 -13.160 1.00 0.00 H new ATOM 984 N PHE A 61 -5.023 -3.975 -11.448 1.00 0.00 N ATOM 985 CA PHE A 61 -5.622 -3.474 -10.179 1.00 0.00 C ATOM 986 C PHE A 61 -7.124 -3.253 -10.364 1.00 0.00 C ATOM 987 O PHE A 61 -7.576 -2.792 -11.393 1.00 0.00 O ATOM 988 CB PHE A 61 -4.924 -2.176 -9.785 1.00 0.00 C ATOM 989 CG PHE A 61 -3.573 -2.512 -9.188 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.476 -3.202 -7.969 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.409 -2.140 -9.863 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.215 -3.506 -7.440 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.156 -2.443 -9.333 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.060 -3.126 -8.121 1.00 0.00 C ATOM 0 H PHE A 61 -4.589 -3.263 -12.035 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.486 -4.207 -9.384 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.802 -1.533 -10.657 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.529 -1.625 -9.065 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.371 -3.497 -7.441 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.480 -1.613 -10.803 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.138 -4.036 -6.502 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.260 -2.149 -9.860 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.089 -3.361 -7.710 1.00 0.00 H new ATOM 1004 N ILE A 62 -7.901 -3.603 -9.374 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.380 -3.443 -9.484 1.00 0.00 C ATOM 1006 C ILE A 62 -9.967 -3.134 -8.101 1.00 0.00 C ATOM 1007 O ILE A 62 -9.259 -3.059 -7.117 1.00 0.00 O ATOM 1008 CB ILE A 62 -9.991 -4.749 -10.045 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.410 -5.686 -8.900 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -8.958 -5.470 -10.916 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -11.028 -6.960 -9.479 1.00 0.00 C ATOM 0 H ILE A 62 -7.574 -3.994 -8.491 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.615 -2.619 -10.157 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.868 -4.489 -10.638 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.545 -5.936 -8.286 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.127 -5.185 -8.250 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.392 -6.389 -11.309 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.665 -4.824 -11.744 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.081 -5.711 -10.316 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.324 -7.623 -8.666 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.904 -6.702 -10.074 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.297 -7.465 -10.110 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.261 -2.973 -8.020 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.901 -2.687 -6.704 1.00 0.00 C ATOM 1025 C LYS A 63 -12.822 -3.852 -6.336 1.00 0.00 C ATOM 1026 O LYS A 63 -13.338 -4.541 -7.194 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.719 -1.395 -6.794 1.00 0.00 C ATOM 1028 CG LYS A 63 -13.267 -1.231 -8.213 1.00 0.00 C ATOM 1029 CD LYS A 63 -14.558 -0.412 -8.171 1.00 0.00 C ATOM 1030 CE LYS A 63 -14.331 0.856 -7.348 1.00 0.00 C ATOM 1031 NZ LYS A 63 -15.631 1.559 -7.144 1.00 0.00 N ATOM 0 H LYS A 63 -11.903 -3.027 -8.811 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.132 -2.567 -5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.540 -1.422 -6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.096 -0.540 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.530 -0.735 -8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.458 -2.209 -8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.869 -0.151 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.362 -1.003 -7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.888 0.602 -6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.627 1.513 -7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.475 2.421 -6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.036 1.814 -8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.289 0.932 -6.638 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.032 -4.084 -5.070 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.916 -5.212 -4.662 1.00 0.00 C ATOM 1047 C VAL A 64 -15.367 -4.900 -5.058 1.00 0.00 C ATOM 1048 O VAL A 64 -15.868 -3.832 -4.763 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.824 -5.401 -3.146 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -14.607 -4.292 -2.438 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -14.415 -6.761 -2.771 1.00 0.00 C ATOM 0 H VAL A 64 -12.632 -3.544 -4.303 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.598 -6.126 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.780 -5.356 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.539 -4.430 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.188 -3.322 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -15.652 -4.333 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.352 -6.900 -1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -15.459 -6.802 -3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -13.856 -7.551 -3.272 1.00 0.00 H new ATOM 1218 N PHE A 76 -13.091 -0.663 -0.015 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.875 -1.523 0.038 1.00 0.00 C ATOM 1220 C PHE A 76 -11.479 -1.928 -1.383 1.00 0.00 C ATOM 1221 O PHE A 76 -12.186 -2.655 -2.053 1.00 0.00 O ATOM 1222 CB PHE A 76 -12.167 -2.782 0.859 1.00 0.00 C ATOM 1223 CG PHE A 76 -10.977 -3.098 1.736 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.734 -3.376 1.156 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.120 -3.111 3.128 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -8.632 -3.667 1.969 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.017 -3.402 3.941 1.00 0.00 C ATOM 1228 CZ PHE A 76 -8.773 -3.681 3.362 1.00 0.00 C ATOM 0 HA PHE A 76 -11.061 -0.968 0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.055 -2.631 1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.377 -3.621 0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.625 -3.366 0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.080 -2.897 3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.673 -3.881 1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.126 -3.411 5.015 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.923 -3.907 3.989 1.00 0.00 H new ATOM 1238 N TRP A 77 -10.353 -1.463 -1.849 1.00 0.00 N ATOM 1239 CA TRP A 77 -9.917 -1.823 -3.224 1.00 0.00 C ATOM 1240 C TRP A 77 -8.786 -2.864 -3.133 1.00 0.00 C ATOM 1241 O TRP A 77 -8.219 -3.073 -2.079 1.00 0.00 O ATOM 1242 CB TRP A 77 -9.461 -0.543 -3.944 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.001 -0.320 -3.756 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -7.421 0.322 -2.715 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.933 -0.729 -4.634 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.050 0.329 -2.911 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -5.703 -0.309 -4.085 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.926 -1.421 -5.850 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -4.497 -0.572 -4.733 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -5.723 -1.685 -6.501 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -4.513 -1.264 -5.948 1.00 0.00 C ATOM 0 H TRP A 77 -9.718 -0.851 -1.337 1.00 0.00 H new ATOM 0 HA TRP A 77 -10.734 -2.264 -3.795 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -9.688 -0.619 -5.008 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -10.016 0.313 -3.560 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -7.940 0.756 -1.873 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.381 0.752 -2.268 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.857 -1.752 -6.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -3.562 -0.245 -4.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.727 -2.219 -7.440 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -3.586 -1.473 -6.460 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.462 -3.534 -4.213 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.381 -4.569 -4.139 1.00 0.00 C ATOM 1264 C ARG A 78 -6.806 -4.855 -5.532 1.00 0.00 C ATOM 1265 O ARG A 78 -7.168 -4.230 -6.507 1.00 0.00 O ATOM 1266 CB ARG A 78 -7.974 -5.861 -3.574 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.120 -6.331 -4.472 1.00 0.00 C ATOM 1268 CD ARG A 78 -9.574 -7.725 -4.035 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.053 -7.731 -3.859 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.621 -8.656 -3.135 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -11.797 -8.468 -1.855 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -12.013 -9.770 -3.691 1.00 0.00 N ATOM 0 H ARG A 78 -8.892 -3.412 -5.130 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.581 -4.198 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.205 -6.631 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.337 -5.694 -2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.953 -5.631 -4.412 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.795 -6.352 -5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.282 -8.465 -4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.084 -8.003 -3.102 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.622 -7.011 -4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.490 -7.598 -1.420 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.241 -9.192 -1.290 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.875 -9.917 -4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.457 -10.494 -3.126 1.00 0.00 H new ATOM 1286 N ILE A 79 -5.912 -5.812 -5.624 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.309 -6.162 -6.945 1.00 0.00 C ATOM 1288 C ILE A 79 -5.902 -7.488 -7.431 1.00 0.00 C ATOM 1289 O ILE A 79 -6.465 -8.245 -6.667 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.784 -6.290 -6.804 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.176 -6.853 -8.089 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.432 -7.221 -5.655 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -3.389 -5.868 -9.228 1.00 0.00 C ATOM 0 H ILE A 79 -5.575 -6.366 -4.837 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.530 -5.377 -7.668 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.382 -5.296 -6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.111 -7.038 -7.949 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.636 -7.811 -8.332 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.348 -7.300 -5.570 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.841 -6.823 -4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.854 -8.208 -5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.955 -6.271 -10.143 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.457 -5.706 -9.374 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.908 -4.921 -8.985 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.789 -7.769 -8.700 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.352 -9.037 -9.236 1.00 0.00 C ATOM 1307 C ASP A 80 -5.690 -10.229 -8.536 1.00 0.00 C ATOM 1308 O ASP A 80 -4.516 -10.187 -8.224 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.087 -9.116 -10.738 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.226 -9.879 -11.418 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.330 -9.359 -11.440 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -6.976 -10.970 -11.903 1.00 0.00 O ATOM 0 H ASP A 80 -5.330 -7.173 -9.389 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.426 -9.062 -9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.006 -8.113 -11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.137 -9.617 -10.925 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.470 -11.254 -8.303 1.00 0.00 N ATOM 1318 CA PRO A 81 -5.997 -12.476 -7.631 1.00 0.00 C ATOM 1319 C PRO A 81 -5.260 -13.398 -8.612 1.00 0.00 C ATOM 1320 O PRO A 81 -4.307 -14.060 -8.253 1.00 0.00 O ATOM 1321 CB PRO A 81 -7.290 -13.133 -7.141 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.430 -12.577 -8.031 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.897 -11.287 -8.682 1.00 0.00 C ATOM 0 HA PRO A 81 -5.288 -12.269 -6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.229 -14.218 -7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.469 -12.901 -6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.717 -13.304 -8.791 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.320 -12.371 -7.436 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -8.021 -11.306 -9.765 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.427 -10.408 -8.316 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.701 -13.464 -9.840 1.00 0.00 N ATOM 1332 CA ALA A 82 -5.027 -14.363 -10.825 1.00 0.00 C ATOM 1333 C ALA A 82 -3.909 -13.618 -11.555 1.00 0.00 C ATOM 1334 O ALA A 82 -3.034 -14.226 -12.140 1.00 0.00 O ATOM 1335 CB ALA A 82 -6.053 -14.868 -11.842 1.00 0.00 C ATOM 0 H ALA A 82 -6.495 -12.937 -10.204 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.593 -15.207 -10.288 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.561 -15.524 -12.560 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.837 -15.420 -11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.493 -14.020 -12.367 1.00 0.00 H new ATOM 1341 N SER A 83 -3.905 -12.316 -11.518 1.00 0.00 N ATOM 1342 CA SER A 83 -2.814 -11.572 -12.203 1.00 0.00 C ATOM 1343 C SER A 83 -1.742 -11.238 -11.178 1.00 0.00 C ATOM 1344 O SER A 83 -0.755 -10.616 -11.490 1.00 0.00 O ATOM 1345 CB SER A 83 -3.350 -10.276 -12.819 1.00 0.00 C ATOM 1346 OG SER A 83 -3.341 -10.393 -14.236 1.00 0.00 O ATOM 0 H SER A 83 -4.603 -11.739 -11.048 1.00 0.00 H new ATOM 0 HA SER A 83 -2.402 -12.189 -13.002 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.362 -10.082 -12.465 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.736 -9.431 -12.508 1.00 0.00 H new ATOM 0 HG SER A 83 -3.685 -9.566 -14.635 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.930 -11.645 -9.952 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.924 -11.336 -8.906 1.00 0.00 C ATOM 1354 C GLU A 84 0.432 -11.899 -9.314 1.00 0.00 C ATOM 1355 O GLU A 84 1.409 -11.186 -9.375 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.359 -11.965 -7.583 1.00 0.00 C ATOM 1357 CG GLU A 84 -0.288 -11.722 -6.520 1.00 0.00 C ATOM 1358 CD GLU A 84 -0.914 -11.849 -5.129 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -1.947 -11.238 -4.909 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -0.350 -12.556 -4.310 1.00 0.00 O ATOM 0 H GLU A 84 -2.739 -12.178 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.844 -10.255 -8.789 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.308 -11.537 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.519 -13.035 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.522 -12.442 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.147 -10.730 -6.646 1.00 0.00 H new ATOM 1367 N ALA A 85 0.507 -13.165 -9.598 1.00 0.00 N ATOM 1368 CA ALA A 85 1.818 -13.749 -9.999 1.00 0.00 C ATOM 1369 C ALA A 85 2.463 -12.881 -11.086 1.00 0.00 C ATOM 1370 O ALA A 85 3.661 -12.909 -11.284 1.00 0.00 O ATOM 1371 CB ALA A 85 1.603 -15.165 -10.536 1.00 0.00 C ATOM 0 H ALA A 85 -0.275 -13.819 -9.571 1.00 0.00 H new ATOM 0 HA ALA A 85 2.476 -13.784 -9.131 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.562 -15.592 -10.829 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.152 -15.784 -9.760 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.942 -15.129 -11.402 1.00 0.00 H new ATOM 1377 N LYS A 86 1.680 -12.109 -11.793 1.00 0.00 N ATOM 1378 CA LYS A 86 2.256 -11.246 -12.867 1.00 0.00 C ATOM 1379 C LYS A 86 2.714 -9.910 -12.274 1.00 0.00 C ATOM 1380 O LYS A 86 3.871 -9.553 -12.349 1.00 0.00 O ATOM 1381 CB LYS A 86 1.197 -10.986 -13.939 1.00 0.00 C ATOM 1382 CG LYS A 86 1.849 -10.300 -15.143 1.00 0.00 C ATOM 1383 CD LYS A 86 0.822 -9.410 -15.846 1.00 0.00 C ATOM 1384 CE LYS A 86 0.590 -8.142 -15.021 1.00 0.00 C ATOM 1385 NZ LYS A 86 -0.316 -7.222 -15.766 1.00 0.00 N ATOM 0 H LYS A 86 0.669 -12.039 -11.674 1.00 0.00 H new ATOM 0 HA LYS A 86 3.111 -11.755 -13.312 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.737 -11.925 -14.247 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.402 -10.359 -13.536 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.700 -9.702 -14.817 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.232 -11.048 -15.837 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.176 -9.147 -16.843 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.116 -9.950 -15.972 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.152 -8.398 -14.056 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.540 -7.648 -14.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.663 -6.481 -15.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.205 -6.783 -16.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.123 -7.759 -16.143 1.00 0.00 H new ATOM 1399 N LEU A 87 1.811 -9.165 -11.697 1.00 0.00 N ATOM 1400 CA LEU A 87 2.193 -7.850 -11.109 1.00 0.00 C ATOM 1401 C LEU A 87 3.385 -8.028 -10.179 1.00 0.00 C ATOM 1402 O LEU A 87 4.435 -7.451 -10.368 1.00 0.00 O ATOM 1403 CB LEU A 87 1.020 -7.261 -10.311 1.00 0.00 C ATOM 1404 CG LEU A 87 0.126 -8.375 -9.742 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -0.103 -8.140 -8.250 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -1.232 -8.361 -10.446 1.00 0.00 C ATOM 0 H LEU A 87 0.825 -9.410 -11.607 1.00 0.00 H new ATOM 0 HA LEU A 87 2.454 -7.171 -11.920 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.402 -6.645 -9.497 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.429 -6.609 -10.954 1.00 0.00 H new ATOM 0 HG LEU A 87 0.619 -9.334 -9.900 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.737 -8.931 -7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.855 -8.145 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.590 -7.176 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.861 -9.152 -10.039 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.714 -7.396 -10.287 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.090 -8.524 -11.514 1.00 0.00 H new ATOM 1418 N VAL A 88 3.217 -8.819 -9.170 1.00 0.00 N ATOM 1419 CA VAL A 88 4.313 -9.055 -8.200 1.00 0.00 C ATOM 1420 C VAL A 88 5.656 -9.214 -8.917 1.00 0.00 C ATOM 1421 O VAL A 88 6.701 -8.927 -8.369 1.00 0.00 O ATOM 1422 CB VAL A 88 4.015 -10.341 -7.474 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.778 -10.173 -6.590 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.769 -11.436 -8.511 1.00 0.00 C ATOM 0 H VAL A 88 2.353 -9.322 -8.970 1.00 0.00 H new ATOM 0 HA VAL A 88 4.376 -8.206 -7.519 1.00 0.00 H new ATOM 0 HB VAL A 88 4.858 -10.611 -6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.572 -11.109 -6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.957 -9.384 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.922 -9.906 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.551 -12.376 -8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.923 -11.159 -9.139 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.657 -11.556 -9.131 1.00 0.00 H new ATOM 1434 N GLU A 89 5.641 -9.698 -10.123 1.00 0.00 N ATOM 1435 CA GLU A 89 6.923 -9.904 -10.857 1.00 0.00 C ATOM 1436 C GLU A 89 7.719 -8.600 -10.856 1.00 0.00 C ATOM 1437 O GLU A 89 8.879 -8.571 -10.493 1.00 0.00 O ATOM 1438 CB GLU A 89 6.626 -10.319 -12.301 1.00 0.00 C ATOM 1439 CG GLU A 89 7.901 -10.864 -12.949 1.00 0.00 C ATOM 1440 CD GLU A 89 8.233 -10.042 -14.196 1.00 0.00 C ATOM 1441 OE1 GLU A 89 8.933 -9.051 -14.059 1.00 0.00 O ATOM 1442 OE2 GLU A 89 7.783 -10.416 -15.266 1.00 0.00 O ATOM 0 H GLU A 89 4.799 -9.961 -10.635 1.00 0.00 H new ATOM 0 HA GLU A 89 7.502 -10.687 -10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.844 -11.078 -12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.254 -9.465 -12.867 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.729 -10.820 -12.241 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.766 -11.912 -13.217 1.00 0.00 H new ATOM 1449 N GLN A 90 7.108 -7.519 -11.243 1.00 0.00 N ATOM 1450 CA GLN A 90 7.834 -6.221 -11.244 1.00 0.00 C ATOM 1451 C GLN A 90 7.781 -5.620 -9.836 1.00 0.00 C ATOM 1452 O GLN A 90 8.416 -4.625 -9.553 1.00 0.00 O ATOM 1453 CB GLN A 90 7.169 -5.266 -12.236 1.00 0.00 C ATOM 1454 CG GLN A 90 5.652 -5.318 -12.054 1.00 0.00 C ATOM 1455 CD GLN A 90 5.052 -3.952 -12.388 1.00 0.00 C ATOM 1456 OE1 GLN A 90 5.492 -3.288 -13.305 1.00 0.00 O ATOM 1457 NE2 GLN A 90 4.056 -3.501 -11.676 1.00 0.00 N ATOM 0 H GLN A 90 6.139 -7.477 -11.558 1.00 0.00 H new ATOM 0 HA GLN A 90 8.872 -6.377 -11.538 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.530 -4.250 -12.077 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.433 -5.543 -13.257 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.223 -6.083 -12.701 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.407 -5.594 -11.028 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.686 -4.058 -10.906 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.647 -2.591 -11.890 1.00 0.00 H new ATOM 1466 N ALA A 91 7.025 -6.218 -8.950 1.00 0.00 N ATOM 1467 CA ALA A 91 6.929 -5.679 -7.564 1.00 0.00 C ATOM 1468 C ALA A 91 8.327 -5.587 -6.945 1.00 0.00 C ATOM 1469 O ALA A 91 8.804 -4.516 -6.627 1.00 0.00 O ATOM 1470 CB ALA A 91 6.052 -6.594 -6.712 1.00 0.00 C ATOM 0 H ALA A 91 6.471 -7.056 -9.129 1.00 0.00 H new ATOM 0 HA ALA A 91 6.484 -4.685 -7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.985 -6.195 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.054 -6.649 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.490 -7.592 -6.681 1.00 0.00 H new ATOM 1476 N PHE A 92 8.986 -6.700 -6.765 1.00 0.00 N ATOM 1477 CA PHE A 92 10.351 -6.668 -6.159 1.00 0.00 C ATOM 1478 C PHE A 92 11.396 -6.498 -7.264 1.00 0.00 C ATOM 1479 O PHE A 92 12.561 -6.786 -7.077 1.00 0.00 O ATOM 1480 CB PHE A 92 10.628 -7.978 -5.407 1.00 0.00 C ATOM 1481 CG PHE A 92 9.328 -8.647 -5.029 1.00 0.00 C ATOM 1482 CD1 PHE A 92 8.576 -8.165 -3.951 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.874 -9.751 -5.760 1.00 0.00 C ATOM 1484 CE1 PHE A 92 7.371 -8.788 -3.604 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.670 -10.374 -5.414 1.00 0.00 C ATOM 1486 CZ PHE A 92 6.918 -9.892 -4.336 1.00 0.00 C ATOM 0 H PHE A 92 8.641 -7.628 -7.010 1.00 0.00 H new ATOM 0 HA PHE A 92 10.406 -5.833 -5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 92 11.221 -8.646 -6.032 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.215 -7.775 -4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.925 -7.313 -3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.454 -10.122 -6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.791 -8.417 -2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.321 -11.226 -5.978 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.988 -10.372 -4.069 1.00 0.00 H new ATOM 1496 N ARG A 93 10.991 -6.036 -8.416 1.00 0.00 N ATOM 1497 CA ARG A 93 11.966 -5.855 -9.526 1.00 0.00 C ATOM 1498 C ARG A 93 11.982 -4.388 -9.961 1.00 0.00 C ATOM 1499 O ARG A 93 11.007 -3.870 -10.469 1.00 0.00 O ATOM 1500 CB ARG A 93 11.557 -6.732 -10.711 1.00 0.00 C ATOM 1501 CG ARG A 93 12.780 -7.012 -11.588 1.00 0.00 C ATOM 1502 CD ARG A 93 12.527 -8.263 -12.432 1.00 0.00 C ATOM 1503 NE ARG A 93 13.273 -9.413 -11.850 1.00 0.00 N ATOM 1504 CZ ARG A 93 14.256 -9.958 -12.514 1.00 0.00 C ATOM 1505 NH1 ARG A 93 15.456 -9.448 -12.439 1.00 0.00 N ATOM 1506 NH2 ARG A 93 14.039 -11.012 -13.251 1.00 0.00 N ATOM 0 H ARG A 93 10.029 -5.777 -8.635 1.00 0.00 H new ATOM 0 HA ARG A 93 12.960 -6.143 -9.185 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.131 -7.669 -10.353 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.784 -6.234 -11.296 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.980 -6.158 -12.235 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.663 -7.153 -10.965 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.460 -8.485 -12.462 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.846 -8.092 -13.460 1.00 0.00 H new ATOM 0 HE ARG A 93 13.016 -9.775 -10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 93 15.625 -8.624 -11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.224 -9.874 -12.958 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.102 -11.410 -13.308 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.807 -11.438 -13.770 1.00 0.00 H new ATOM 1520 N LYS A 94 13.083 -3.713 -9.769 1.00 0.00 N ATOM 1521 CA LYS A 94 13.161 -2.281 -10.173 1.00 0.00 C ATOM 1522 C LYS A 94 13.430 -2.192 -11.676 1.00 0.00 C ATOM 1523 O LYS A 94 13.543 -3.193 -12.356 1.00 0.00 O ATOM 1524 CB LYS A 94 14.297 -1.595 -9.410 1.00 0.00 C ATOM 1525 CG LYS A 94 14.007 -1.640 -7.908 1.00 0.00 C ATOM 1526 CD LYS A 94 14.882 -0.611 -7.186 1.00 0.00 C ATOM 1527 CE LYS A 94 16.351 -1.027 -7.286 1.00 0.00 C ATOM 1528 NZ LYS A 94 17.219 0.107 -6.861 1.00 0.00 N ATOM 0 H LYS A 94 13.932 -4.092 -9.350 1.00 0.00 H new ATOM 0 HA LYS A 94 12.218 -1.786 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.244 -2.092 -9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.398 -0.561 -9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.953 -1.430 -7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.205 -2.639 -7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 94 14.742 0.375 -7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 94 14.585 -0.536 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.537 -1.897 -6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.589 -1.317 -8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 18.218 -0.176 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 17.048 0.926 -7.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.998 0.364 -5.878 1.00 0.00 H new