USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 589 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 Single : A 10 LYS NZ :NH3+ -145:sc= 0.00673 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 0.132 (180deg=0.129) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 68:sc= 0.209 USER MOD Single : A 23 SER OG : rot 94:sc= 0.978 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -1.41! C(o=-2.3!,f=-1.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0565 USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= 0.114 (180deg=-0.672!) USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 0.117 (180deg=0.117) USER MOD Single : A 42 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.8!) USER MOD Single : A 43 SER OG : rot -83:sc= -0.563! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 77:sc= -4.86! USER MOD Single : A 61 HIS :FLIP no HD1:sc= -4.09! C(o=-5.2!,f=-4.1!) USER MOD Single : A 64 MET CE :methyl 167:sc= -2.37 (180deg=-2.86) USER MOD Single : A 74 MET CE :methyl -126:sc= -4.09 (180deg=-7.72!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : B 109 ASN : amide:sc= -4.02! C(o=-4!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 39 N ALA A 8 0.917 1.823 -19.011 1.00 0.00 N ATOM 40 CA ALA A 8 0.705 0.423 -18.534 1.00 0.00 C ATOM 41 C ALA A 8 -0.740 0.233 -18.070 1.00 0.00 C ATOM 42 O ALA A 8 -1.292 -0.846 -18.144 1.00 0.00 O ATOM 43 CB ALA A 8 1.669 0.265 -17.362 1.00 0.00 C ATOM 0 HA ALA A 8 0.883 -0.315 -19.316 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.579 -0.740 -16.950 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.690 0.425 -17.707 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.427 0.997 -16.591 1.00 0.00 H new ATOM 49 N VAL A 9 -1.355 1.281 -17.601 1.00 0.00 N ATOM 50 CA VAL A 9 -2.766 1.176 -17.141 1.00 0.00 C ATOM 51 C VAL A 9 -3.705 1.536 -18.296 1.00 0.00 C ATOM 52 O VAL A 9 -3.556 2.563 -18.927 1.00 0.00 O ATOM 53 CB VAL A 9 -2.888 2.189 -16.001 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.362 2.515 -15.747 1.00 0.00 C ATOM 55 CG2 VAL A 9 -2.277 1.593 -14.730 1.00 0.00 C ATOM 0 H VAL A 9 -0.940 2.209 -17.516 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.031 0.172 -16.811 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.360 3.103 -16.275 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.440 3.237 -14.934 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.802 2.937 -16.650 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.895 1.604 -15.475 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.361 2.311 -13.914 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.808 0.679 -14.465 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.226 1.364 -14.904 1.00 0.00 H new ATOM 65 N LYS A 10 -4.661 0.700 -18.585 1.00 0.00 N ATOM 66 CA LYS A 10 -5.595 1.001 -19.707 1.00 0.00 C ATOM 67 C LYS A 10 -6.725 1.909 -19.221 1.00 0.00 C ATOM 68 O LYS A 10 -6.941 2.050 -18.034 1.00 0.00 O ATOM 69 CB LYS A 10 -6.146 -0.361 -20.138 1.00 0.00 C ATOM 70 CG LYS A 10 -4.985 -1.307 -20.449 1.00 0.00 C ATOM 71 CD LYS A 10 -5.463 -2.411 -21.393 1.00 0.00 C ATOM 72 CE LYS A 10 -4.347 -3.438 -21.586 1.00 0.00 C ATOM 73 NZ LYS A 10 -4.557 -4.441 -20.505 1.00 0.00 N ATOM 0 H LYS A 10 -4.837 -0.177 -18.095 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.103 1.520 -20.530 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.768 -0.780 -19.347 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.781 -0.247 -21.017 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.164 -0.754 -20.906 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.601 -1.744 -19.527 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.350 -2.895 -20.984 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.748 -1.984 -22.354 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.403 -3.901 -22.571 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.364 -2.973 -21.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.636 -4.791 -20.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.065 -3.997 -19.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.117 -5.236 -20.873 1.00 0.00 H new ATOM 87 N PRO A 11 -7.421 2.487 -20.162 1.00 0.00 N ATOM 88 CA PRO A 11 -8.555 3.381 -19.825 1.00 0.00 C ATOM 89 C PRO A 11 -9.682 2.561 -19.203 1.00 0.00 C ATOM 90 O PRO A 11 -10.433 3.032 -18.374 1.00 0.00 O ATOM 91 CB PRO A 11 -8.972 3.956 -21.176 1.00 0.00 C ATOM 92 CG PRO A 11 -8.492 2.958 -22.177 1.00 0.00 C ATOM 93 CD PRO A 11 -7.232 2.363 -21.610 1.00 0.00 C ATOM 0 HA PRO A 11 -8.303 4.160 -19.106 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.053 4.087 -21.234 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.523 4.935 -21.346 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.243 2.187 -22.348 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.299 3.434 -23.138 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.107 1.323 -21.912 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.346 2.901 -21.947 1.00 0.00 H new ATOM 101 N GLU A 12 -9.786 1.324 -19.597 1.00 0.00 N ATOM 102 CA GLU A 12 -10.848 0.440 -19.033 1.00 0.00 C ATOM 103 C GLU A 12 -10.348 -0.173 -17.727 1.00 0.00 C ATOM 104 O GLU A 12 -11.119 -0.528 -16.856 1.00 0.00 O ATOM 105 CB GLU A 12 -11.082 -0.656 -20.079 1.00 0.00 C ATOM 106 CG GLU A 12 -10.972 -0.070 -21.487 1.00 0.00 C ATOM 107 CD GLU A 12 -11.843 1.184 -21.589 1.00 0.00 C ATOM 108 OE1 GLU A 12 -12.743 1.322 -20.777 1.00 0.00 O ATOM 109 OE2 GLU A 12 -11.595 1.983 -22.477 1.00 0.00 O ATOM 0 H GLU A 12 -9.180 0.883 -20.288 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.768 0.984 -18.820 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.351 -1.454 -19.951 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.067 -1.100 -19.937 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.934 0.177 -21.709 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.290 -0.807 -22.225 1.00 0.00 H new ATOM 116 N ASP A 13 -9.056 -0.284 -17.580 1.00 0.00 N ATOM 117 CA ASP A 13 -8.497 -0.855 -16.326 1.00 0.00 C ATOM 118 C ASP A 13 -8.556 0.210 -15.242 1.00 0.00 C ATOM 119 O ASP A 13 -8.910 -0.052 -14.111 1.00 0.00 O ATOM 120 CB ASP A 13 -7.047 -1.216 -16.652 1.00 0.00 C ATOM 121 CG ASP A 13 -6.954 -2.703 -16.999 1.00 0.00 C ATOM 122 OD1 ASP A 13 -7.438 -3.505 -16.217 1.00 0.00 O ATOM 123 OD2 ASP A 13 -6.401 -3.014 -18.041 1.00 0.00 O ATOM 0 H ASP A 13 -8.365 -0.003 -18.275 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.046 -1.728 -15.972 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.691 -0.614 -17.488 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.405 -0.990 -15.801 1.00 0.00 H new ATOM 128 N LYS A 14 -8.229 1.420 -15.591 1.00 0.00 N ATOM 129 CA LYS A 14 -8.282 2.515 -14.592 1.00 0.00 C ATOM 130 C LYS A 14 -9.739 2.802 -14.244 1.00 0.00 C ATOM 131 O LYS A 14 -10.050 3.311 -13.187 1.00 0.00 O ATOM 132 CB LYS A 14 -7.651 3.724 -15.278 1.00 0.00 C ATOM 133 CG LYS A 14 -7.310 4.786 -14.230 1.00 0.00 C ATOM 134 CD LYS A 14 -8.098 6.065 -14.522 1.00 0.00 C ATOM 135 CE LYS A 14 -7.378 7.263 -13.902 1.00 0.00 C ATOM 136 NZ LYS A 14 -8.462 8.216 -13.532 1.00 0.00 N ATOM 0 H LYS A 14 -7.927 1.697 -16.525 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.760 2.265 -13.669 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.750 3.423 -15.812 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.338 4.135 -16.018 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.551 4.418 -13.233 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.240 4.995 -14.243 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.198 6.205 -15.598 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.106 5.984 -14.116 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.798 6.966 -13.028 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.681 7.713 -14.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.050 9.042 -13.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.960 8.526 -14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.134 7.746 -12.893 1.00 0.00 H new ATOM 150 N ALA A 15 -10.635 2.463 -15.130 1.00 0.00 N ATOM 151 CA ALA A 15 -12.080 2.696 -14.856 1.00 0.00 C ATOM 152 C ALA A 15 -12.499 1.822 -13.682 1.00 0.00 C ATOM 153 O ALA A 15 -13.187 2.256 -12.779 1.00 0.00 O ATOM 154 CB ALA A 15 -12.805 2.275 -16.135 1.00 0.00 C ATOM 0 H ALA A 15 -10.428 2.034 -16.032 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.307 3.731 -14.600 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.878 2.419 -16.009 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.453 2.882 -16.969 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.601 1.224 -16.340 1.00 0.00 H new ATOM 160 N LYS A 16 -12.054 0.597 -13.673 1.00 0.00 N ATOM 161 CA LYS A 16 -12.384 -0.306 -12.543 1.00 0.00 C ATOM 162 C LYS A 16 -11.559 0.149 -11.357 1.00 0.00 C ATOM 163 O LYS A 16 -12.021 0.202 -10.235 1.00 0.00 O ATOM 164 CB LYS A 16 -11.966 -1.698 -13.009 1.00 0.00 C ATOM 165 CG LYS A 16 -12.413 -1.885 -14.456 1.00 0.00 C ATOM 166 CD LYS A 16 -13.307 -3.122 -14.564 1.00 0.00 C ATOM 167 CE LYS A 16 -12.630 -4.303 -13.865 1.00 0.00 C ATOM 168 NZ LYS A 16 -12.439 -5.327 -14.930 1.00 0.00 N ATOM 0 H LYS A 16 -11.474 0.184 -14.403 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.436 -0.303 -12.256 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.885 -1.814 -12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.416 -2.460 -12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.954 -1.002 -14.796 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.543 -1.995 -15.104 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.277 -2.924 -14.109 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.490 -3.362 -15.612 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.677 -4.008 -13.427 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.248 -4.688 -13.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.979 -6.167 -14.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.363 -5.594 -15.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.841 -4.935 -15.685 1.00 0.00 H new ATOM 182 N TYR A 17 -10.343 0.533 -11.621 1.00 0.00 N ATOM 183 CA TYR A 17 -9.489 1.049 -10.533 1.00 0.00 C ATOM 184 C TYR A 17 -10.188 2.279 -9.970 1.00 0.00 C ATOM 185 O TYR A 17 -9.963 2.686 -8.848 1.00 0.00 O ATOM 186 CB TYR A 17 -8.169 1.450 -11.198 1.00 0.00 C ATOM 187 CG TYR A 17 -7.511 0.260 -11.866 1.00 0.00 C ATOM 188 CD1 TYR A 17 -8.125 -1.003 -11.864 1.00 0.00 C ATOM 189 CD2 TYR A 17 -6.269 0.430 -12.492 1.00 0.00 C ATOM 190 CE1 TYR A 17 -7.496 -2.087 -12.490 1.00 0.00 C ATOM 191 CE2 TYR A 17 -5.638 -0.653 -13.114 1.00 0.00 C ATOM 192 CZ TYR A 17 -6.254 -1.912 -13.115 1.00 0.00 C ATOM 193 OH TYR A 17 -5.634 -2.983 -13.726 1.00 0.00 O ATOM 0 H TYR A 17 -9.909 0.510 -12.544 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.314 0.330 -9.733 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.353 2.230 -11.937 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.495 1.870 -10.451 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.081 -1.138 -11.380 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.797 1.401 -12.494 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.969 -3.058 -12.491 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.679 -0.519 -13.592 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.148 -3.252 -14.516 1.00 0.00 H new ATOM 203 N ASP A 18 -11.051 2.869 -10.764 1.00 0.00 N ATOM 204 CA ASP A 18 -11.796 4.076 -10.301 1.00 0.00 C ATOM 205 C ASP A 18 -13.106 3.652 -9.636 1.00 0.00 C ATOM 206 O ASP A 18 -13.759 4.433 -8.972 1.00 0.00 O ATOM 207 CB ASP A 18 -12.074 4.879 -11.571 1.00 0.00 C ATOM 208 CG ASP A 18 -11.374 6.238 -11.484 1.00 0.00 C ATOM 209 OD1 ASP A 18 -10.162 6.267 -11.623 1.00 0.00 O ATOM 210 OD2 ASP A 18 -12.062 7.226 -11.283 1.00 0.00 O ATOM 0 H ASP A 18 -11.269 2.564 -11.713 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.237 4.658 -9.568 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.719 4.331 -12.444 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.148 5.019 -11.697 1.00 0.00 H new ATOM 215 N ALA A 19 -13.477 2.412 -9.788 1.00 0.00 N ATOM 216 CA ALA A 19 -14.725 1.925 -9.141 1.00 0.00 C ATOM 217 C ALA A 19 -14.340 1.372 -7.781 1.00 0.00 C ATOM 218 O ALA A 19 -15.061 1.484 -6.809 1.00 0.00 O ATOM 219 CB ALA A 19 -15.257 0.819 -10.053 1.00 0.00 C ATOM 0 H ALA A 19 -12.969 1.715 -10.333 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.482 2.698 -9.004 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -16.179 0.414 -9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -15.457 1.229 -11.043 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.515 0.024 -10.132 1.00 0.00 H new ATOM 225 N ILE A 20 -13.170 0.811 -7.716 1.00 0.00 N ATOM 226 CA ILE A 20 -12.658 0.276 -6.441 1.00 0.00 C ATOM 227 C ILE A 20 -12.155 1.452 -5.614 1.00 0.00 C ATOM 228 O ILE A 20 -12.187 1.443 -4.398 1.00 0.00 O ATOM 229 CB ILE A 20 -11.499 -0.623 -6.864 1.00 0.00 C ATOM 230 CG1 ILE A 20 -12.037 -1.919 -7.472 1.00 0.00 C ATOM 231 CG2 ILE A 20 -10.633 -0.947 -5.659 1.00 0.00 C ATOM 232 CD1 ILE A 20 -10.941 -2.578 -8.313 1.00 0.00 C ATOM 0 H ILE A 20 -12.539 0.701 -8.510 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.394 -0.266 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.900 -0.100 -7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.362 -2.597 -6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -12.909 -1.709 -8.091 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.807 -1.589 -5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.237 -0.023 -5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.232 -1.462 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -11.322 -3.502 -8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.637 -1.900 -9.111 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -10.082 -2.802 -7.680 1.00 0.00 H new ATOM 244 N PHE A 21 -11.699 2.473 -6.284 1.00 0.00 N ATOM 245 CA PHE A 21 -11.197 3.675 -5.575 1.00 0.00 C ATOM 246 C PHE A 21 -12.390 4.494 -5.077 1.00 0.00 C ATOM 247 O PHE A 21 -12.390 5.020 -3.982 1.00 0.00 O ATOM 248 CB PHE A 21 -10.378 4.432 -6.632 1.00 0.00 C ATOM 249 CG PHE A 21 -10.497 5.926 -6.435 1.00 0.00 C ATOM 250 CD1 PHE A 21 -11.642 6.596 -6.882 1.00 0.00 C ATOM 251 CD2 PHE A 21 -9.463 6.638 -5.816 1.00 0.00 C ATOM 252 CE1 PHE A 21 -11.754 7.979 -6.707 1.00 0.00 C ATOM 253 CE2 PHE A 21 -9.577 8.023 -5.641 1.00 0.00 C ATOM 254 CZ PHE A 21 -10.723 8.693 -6.087 1.00 0.00 C ATOM 0 H PHE A 21 -11.654 2.523 -7.302 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.588 3.449 -4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.331 4.135 -6.569 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.726 4.163 -7.629 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.438 6.046 -7.361 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.579 6.120 -5.474 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -12.637 8.496 -7.051 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.781 8.574 -5.162 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.811 9.761 -5.952 1.00 0.00 H new ATOM 264 N ASP A 22 -13.412 4.585 -5.877 1.00 0.00 N ATOM 265 CA ASP A 22 -14.622 5.347 -5.467 1.00 0.00 C ATOM 266 C ASP A 22 -15.558 4.434 -4.671 1.00 0.00 C ATOM 267 O ASP A 22 -16.624 4.836 -4.249 1.00 0.00 O ATOM 268 CB ASP A 22 -15.276 5.789 -6.776 1.00 0.00 C ATOM 269 CG ASP A 22 -16.696 6.288 -6.499 1.00 0.00 C ATOM 270 OD1 ASP A 22 -16.832 7.238 -5.745 1.00 0.00 O ATOM 271 OD2 ASP A 22 -17.623 5.714 -7.046 1.00 0.00 O ATOM 0 H ASP A 22 -13.462 4.162 -6.804 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.387 6.200 -4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.686 6.580 -7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.303 4.957 -7.480 1.00 0.00 H new ATOM 276 N SER A 23 -15.158 3.209 -4.449 1.00 0.00 N ATOM 277 CA SER A 23 -16.011 2.274 -3.663 1.00 0.00 C ATOM 278 C SER A 23 -15.645 2.388 -2.182 1.00 0.00 C ATOM 279 O SER A 23 -16.322 1.871 -1.316 1.00 0.00 O ATOM 280 CB SER A 23 -15.674 0.883 -4.197 1.00 0.00 C ATOM 281 OG SER A 23 -16.719 0.445 -5.057 1.00 0.00 O ATOM 0 H SER A 23 -14.276 2.817 -4.779 1.00 0.00 H new ATOM 0 HA SER A 23 -17.075 2.489 -3.757 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.728 0.908 -4.738 1.00 0.00 H new ATOM 0 HB3 SER A 23 -15.550 0.183 -3.370 1.00 0.00 H new ATOM 0 HG SER A 23 -16.493 0.665 -5.985 1.00 0.00 H new ATOM 287 N LEU A 24 -14.572 3.074 -1.898 1.00 0.00 N ATOM 288 CA LEU A 24 -14.129 3.251 -0.485 1.00 0.00 C ATOM 289 C LEU A 24 -14.444 4.675 -0.032 1.00 0.00 C ATOM 290 O LEU A 24 -14.368 4.994 1.138 1.00 0.00 O ATOM 291 CB LEU A 24 -12.607 3.051 -0.493 1.00 0.00 C ATOM 292 CG LEU A 24 -12.190 2.029 -1.553 1.00 0.00 C ATOM 293 CD1 LEU A 24 -10.694 2.167 -1.829 1.00 0.00 C ATOM 294 CD2 LEU A 24 -12.468 0.618 -1.041 1.00 0.00 C ATOM 0 H LEU A 24 -13.976 3.525 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.628 2.552 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.113 4.003 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.276 2.715 0.490 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.756 2.208 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.395 1.440 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.482 3.173 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.136 1.986 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.170 -0.109 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.900 0.444 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.532 0.510 -0.833 1.00 0.00 H new ATOM 306 N SER A 25 -14.771 5.527 -0.974 1.00 0.00 N ATOM 307 CA SER A 25 -15.085 6.967 -0.673 1.00 0.00 C ATOM 308 C SER A 25 -13.800 7.791 -0.676 1.00 0.00 C ATOM 309 O SER A 25 -13.085 7.852 0.305 1.00 0.00 O ATOM 310 CB SER A 25 -15.750 7.006 0.699 1.00 0.00 C ATOM 311 OG SER A 25 -16.568 8.164 0.789 1.00 0.00 O ATOM 0 H SER A 25 -14.836 5.282 -1.962 1.00 0.00 H new ATOM 0 HA SER A 25 -15.749 7.390 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.351 6.109 0.851 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.993 7.019 1.483 1.00 0.00 H new ATOM 0 HG SER A 25 -16.999 8.193 1.669 1.00 0.00 H new ATOM 317 N PRO A 26 -13.558 8.395 -1.804 1.00 0.00 N ATOM 318 CA PRO A 26 -12.354 9.234 -1.994 1.00 0.00 C ATOM 319 C PRO A 26 -12.509 10.579 -1.287 1.00 0.00 C ATOM 320 O PRO A 26 -13.601 11.083 -1.112 1.00 0.00 O ATOM 321 CB PRO A 26 -12.292 9.429 -3.505 1.00 0.00 C ATOM 322 CG PRO A 26 -13.700 9.260 -3.978 1.00 0.00 C ATOM 323 CD PRO A 26 -14.393 8.344 -3.001 1.00 0.00 C ATOM 0 HA PRO A 26 -11.453 8.779 -1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.907 10.416 -3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.630 8.699 -3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.207 10.224 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.720 8.837 -4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.409 8.680 -2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.467 7.329 -3.391 1.00 0.00 H new ATOM 331 N VAL A 27 -11.418 11.164 -0.893 1.00 0.00 N ATOM 332 CA VAL A 27 -11.474 12.483 -0.210 1.00 0.00 C ATOM 333 C VAL A 27 -10.753 13.519 -1.072 1.00 0.00 C ATOM 334 O VAL A 27 -9.546 13.498 -1.200 1.00 0.00 O ATOM 335 CB VAL A 27 -10.745 12.265 1.114 1.00 0.00 C ATOM 336 CG1 VAL A 27 -10.877 13.516 1.983 1.00 0.00 C ATOM 337 CG2 VAL A 27 -11.369 11.069 1.839 1.00 0.00 C ATOM 0 H VAL A 27 -10.480 10.782 -1.016 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.489 12.846 -0.049 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.690 12.069 0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.356 13.359 2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.438 14.368 1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.931 13.714 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.853 10.908 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.423 11.269 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.275 10.178 1.218 1.00 0.00 H new ATOM 347 N ASN A 28 -11.487 14.405 -1.689 1.00 0.00 N ATOM 348 CA ASN A 28 -10.844 15.423 -2.570 1.00 0.00 C ATOM 349 C ASN A 28 -10.063 14.712 -3.682 1.00 0.00 C ATOM 350 O ASN A 28 -9.247 15.301 -4.362 1.00 0.00 O ATOM 351 CB ASN A 28 -9.908 16.222 -1.657 1.00 0.00 C ATOM 352 CG ASN A 28 -8.915 17.020 -2.505 1.00 0.00 C ATOM 353 OD1 ASN A 28 -7.641 16.743 -2.431 1.00 0.00 O flip ATOM 354 ND2 ASN A 28 -9.301 17.903 -3.245 1.00 0.00 N flip ATOM 0 H ASN A 28 -12.503 14.468 -1.622 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.568 16.079 -3.054 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.488 16.897 -1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.371 15.547 -0.991 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.296 18.121 -3.304 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.630 18.427 -3.807 1.00 0.00 H new ATOM 361 N GLY A 29 -10.319 13.443 -3.874 1.00 0.00 N ATOM 362 CA GLY A 29 -9.604 12.687 -4.941 1.00 0.00 C ATOM 363 C GLY A 29 -8.510 11.814 -4.318 1.00 0.00 C ATOM 364 O GLY A 29 -7.478 11.584 -4.917 1.00 0.00 O ATOM 0 H GLY A 29 -10.994 12.899 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.309 12.064 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.164 13.381 -5.658 1.00 0.00 H new ATOM 368 N PHE A 30 -8.718 11.326 -3.124 1.00 0.00 N ATOM 369 CA PHE A 30 -7.671 10.474 -2.485 1.00 0.00 C ATOM 370 C PHE A 30 -8.282 9.356 -1.648 1.00 0.00 C ATOM 371 O PHE A 30 -9.335 9.499 -1.059 1.00 0.00 O ATOM 372 CB PHE A 30 -6.881 11.415 -1.580 1.00 0.00 C ATOM 373 CG PHE A 30 -6.095 12.364 -2.439 1.00 0.00 C ATOM 374 CD1 PHE A 30 -4.884 11.951 -2.999 1.00 0.00 C ATOM 375 CD2 PHE A 30 -6.581 13.651 -2.684 1.00 0.00 C ATOM 376 CE1 PHE A 30 -4.153 12.829 -3.807 1.00 0.00 C ATOM 377 CE2 PHE A 30 -5.853 14.529 -3.489 1.00 0.00 C ATOM 378 CZ PHE A 30 -4.637 14.120 -4.053 1.00 0.00 C ATOM 0 H PHE A 30 -9.559 11.478 -2.567 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.052 9.993 -3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.557 11.968 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.211 10.845 -0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.512 10.955 -2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.519 13.966 -2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.216 12.511 -4.241 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.227 15.524 -3.677 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.074 14.799 -4.676 1.00 0.00 H new ATOM 388 N LEU A 31 -7.593 8.257 -1.563 1.00 0.00 N ATOM 389 CA LEU A 31 -8.080 7.124 -0.730 1.00 0.00 C ATOM 390 C LEU A 31 -7.071 6.890 0.378 1.00 0.00 C ATOM 391 O LEU A 31 -5.883 6.939 0.154 1.00 0.00 O ATOM 392 CB LEU A 31 -8.119 5.900 -1.638 1.00 0.00 C ATOM 393 CG LEU A 31 -9.431 5.834 -2.410 1.00 0.00 C ATOM 394 CD1 LEU A 31 -9.555 4.441 -3.008 1.00 0.00 C ATOM 395 CD2 LEU A 31 -10.615 6.076 -1.471 1.00 0.00 C ATOM 0 H LEU A 31 -6.706 8.092 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.061 7.323 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.283 5.934 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.998 4.996 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.437 6.598 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.488 4.367 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.715 4.256 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.551 3.700 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.545 6.026 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.623 5.314 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.521 7.061 -1.014 1.00 0.00 H new ATOM 407 N SER A 32 -7.515 6.632 1.564 1.00 0.00 N ATOM 408 CA SER A 32 -6.539 6.398 2.655 1.00 0.00 C ATOM 409 C SER A 32 -6.115 4.940 2.671 1.00 0.00 C ATOM 410 O SER A 32 -6.911 4.052 2.456 1.00 0.00 O ATOM 411 CB SER A 32 -7.270 6.769 3.944 1.00 0.00 C ATOM 412 OG SER A 32 -8.545 6.141 3.959 1.00 0.00 O ATOM 0 H SER A 32 -8.499 6.573 1.828 1.00 0.00 H new ATOM 0 HA SER A 32 -5.632 6.990 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.687 6.455 4.810 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.384 7.851 4.012 1.00 0.00 H new ATOM 0 HG SER A 32 -9.016 6.376 4.786 1.00 0.00 H new ATOM 418 N GLY A 33 -4.860 4.689 2.925 1.00 0.00 N ATOM 419 CA GLY A 33 -4.375 3.281 2.966 1.00 0.00 C ATOM 420 C GLY A 33 -5.413 2.418 3.687 1.00 0.00 C ATOM 421 O GLY A 33 -5.526 1.233 3.447 1.00 0.00 O ATOM 0 H GLY A 33 -4.150 5.398 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.213 2.909 1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.417 3.228 3.483 1.00 0.00 H new ATOM 425 N ASP A 34 -6.182 3.011 4.563 1.00 0.00 N ATOM 426 CA ASP A 34 -7.226 2.235 5.291 1.00 0.00 C ATOM 427 C ASP A 34 -8.231 1.659 4.293 1.00 0.00 C ATOM 428 O ASP A 34 -8.821 0.622 4.519 1.00 0.00 O ATOM 429 CB ASP A 34 -7.901 3.253 6.212 1.00 0.00 C ATOM 430 CG ASP A 34 -9.050 2.579 6.965 1.00 0.00 C ATOM 431 OD1 ASP A 34 -8.785 1.627 7.681 1.00 0.00 O ATOM 432 OD2 ASP A 34 -10.173 3.028 6.816 1.00 0.00 O ATOM 0 H ASP A 34 -6.131 4.001 4.805 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.813 1.395 5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.176 3.656 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.278 4.093 5.629 1.00 0.00 H new ATOM 437 N LYS A 35 -8.417 2.315 3.180 1.00 0.00 N ATOM 438 CA LYS A 35 -9.362 1.800 2.162 1.00 0.00 C ATOM 439 C LYS A 35 -8.582 0.970 1.152 1.00 0.00 C ATOM 440 O LYS A 35 -9.066 -0.007 0.617 1.00 0.00 O ATOM 441 CB LYS A 35 -9.949 3.049 1.507 1.00 0.00 C ATOM 442 CG LYS A 35 -10.922 3.720 2.479 1.00 0.00 C ATOM 443 CD LYS A 35 -11.331 5.090 1.932 1.00 0.00 C ATOM 444 CE LYS A 35 -12.035 5.891 3.031 1.00 0.00 C ATOM 445 NZ LYS A 35 -13.000 4.938 3.648 1.00 0.00 N ATOM 0 H LYS A 35 -7.951 3.189 2.936 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.146 1.166 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.151 3.741 1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.465 2.782 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.804 3.094 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.455 3.832 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.452 5.630 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.994 4.968 1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.322 6.262 3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.548 6.760 2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.688 5.464 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.501 4.418 2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.486 4.266 4.252 1.00 0.00 H new ATOM 459 N VAL A 36 -7.361 1.353 0.900 1.00 0.00 N ATOM 460 CA VAL A 36 -6.530 0.589 -0.068 1.00 0.00 C ATOM 461 C VAL A 36 -5.953 -0.666 0.595 1.00 0.00 C ATOM 462 O VAL A 36 -5.950 -1.737 0.021 1.00 0.00 O ATOM 463 CB VAL A 36 -5.406 1.540 -0.454 1.00 0.00 C ATOM 464 CG1 VAL A 36 -4.472 0.843 -1.438 1.00 0.00 C ATOM 465 CG2 VAL A 36 -5.997 2.792 -1.101 1.00 0.00 C ATOM 0 H VAL A 36 -6.904 2.161 1.323 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.108 0.257 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.846 1.827 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.666 1.521 -1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.052 -0.048 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.030 0.557 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.192 3.473 -1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.557 2.511 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.664 3.286 -0.395 1.00 0.00 H new ATOM 475 N LYS A 37 -5.451 -0.538 1.795 1.00 0.00 N ATOM 476 CA LYS A 37 -4.859 -1.717 2.491 1.00 0.00 C ATOM 477 C LYS A 37 -5.702 -2.977 2.247 1.00 0.00 C ATOM 478 O LYS A 37 -5.184 -3.977 1.793 1.00 0.00 O ATOM 479 CB LYS A 37 -4.837 -1.350 3.975 1.00 0.00 C ATOM 480 CG LYS A 37 -4.470 -2.587 4.798 1.00 0.00 C ATOM 481 CD LYS A 37 -4.091 -2.166 6.219 1.00 0.00 C ATOM 482 CE LYS A 37 -3.720 -3.407 7.037 1.00 0.00 C ATOM 483 NZ LYS A 37 -2.532 -3.003 7.840 1.00 0.00 N ATOM 0 H LYS A 37 -5.426 0.334 2.324 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.859 -1.942 2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.115 -0.553 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.812 -0.971 4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.311 -3.280 4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.638 -3.114 4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.252 -1.471 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.924 -1.643 6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.544 -3.716 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.488 -4.252 6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.210 -3.809 8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.767 -2.705 7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.788 -2.213 8.466 1.00 0.00 H new ATOM 497 N PRO A 38 -6.977 -2.893 2.540 1.00 0.00 N ATOM 498 CA PRO A 38 -7.874 -4.056 2.322 1.00 0.00 C ATOM 499 C PRO A 38 -8.001 -4.335 0.823 1.00 0.00 C ATOM 500 O PRO A 38 -8.067 -5.469 0.392 1.00 0.00 O ATOM 501 CB PRO A 38 -9.206 -3.601 2.915 1.00 0.00 C ATOM 502 CG PRO A 38 -9.146 -2.111 2.865 1.00 0.00 C ATOM 503 CD PRO A 38 -7.705 -1.740 3.085 1.00 0.00 C ATOM 0 HA PRO A 38 -7.514 -4.978 2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.049 -3.984 2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.329 -3.959 3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.501 -1.739 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.783 -1.670 3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.443 -0.817 2.568 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.485 -1.587 4.142 1.00 0.00 H new ATOM 511 N VAL A 39 -8.021 -3.301 0.029 1.00 0.00 N ATOM 512 CA VAL A 39 -8.126 -3.489 -1.445 1.00 0.00 C ATOM 513 C VAL A 39 -6.936 -4.315 -1.944 1.00 0.00 C ATOM 514 O VAL A 39 -7.064 -5.140 -2.827 1.00 0.00 O ATOM 515 CB VAL A 39 -8.094 -2.064 -2.013 1.00 0.00 C ATOM 516 CG1 VAL A 39 -7.486 -2.053 -3.420 1.00 0.00 C ATOM 517 CG2 VAL A 39 -9.519 -1.514 -2.074 1.00 0.00 C ATOM 0 H VAL A 39 -7.969 -2.330 0.339 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.026 -4.024 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.478 -1.442 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.473 -1.033 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.467 -2.438 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.085 -2.681 -4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.501 -0.501 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.127 -2.150 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.946 -1.498 -1.071 1.00 0.00 H new ATOM 527 N LEU A 40 -5.779 -4.095 -1.381 1.00 0.00 N ATOM 528 CA LEU A 40 -4.578 -4.858 -1.814 1.00 0.00 C ATOM 529 C LEU A 40 -4.529 -6.201 -1.091 1.00 0.00 C ATOM 530 O LEU A 40 -4.015 -7.176 -1.600 1.00 0.00 O ATOM 531 CB LEU A 40 -3.392 -3.990 -1.399 1.00 0.00 C ATOM 532 CG LEU A 40 -3.614 -2.555 -1.872 1.00 0.00 C ATOM 533 CD1 LEU A 40 -2.473 -1.671 -1.364 1.00 0.00 C ATOM 534 CD2 LEU A 40 -3.643 -2.528 -3.401 1.00 0.00 C ATOM 0 H LEU A 40 -5.615 -3.417 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.579 -5.066 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.274 -4.012 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.471 -4.386 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.561 -2.181 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.629 -0.646 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.451 -1.696 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.525 -2.040 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.801 -1.506 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.694 -2.898 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.454 -3.161 -3.761 1.00 0.00 H new ATOM 546 N LEU A 41 -5.070 -6.259 0.093 1.00 0.00 N ATOM 547 CA LEU A 41 -5.063 -7.535 0.850 1.00 0.00 C ATOM 548 C LEU A 41 -6.077 -8.491 0.243 1.00 0.00 C ATOM 549 O LEU A 41 -6.102 -9.668 0.548 1.00 0.00 O ATOM 550 CB LEU A 41 -5.478 -7.160 2.270 1.00 0.00 C ATOM 551 CG LEU A 41 -4.330 -6.432 2.962 1.00 0.00 C ATOM 552 CD1 LEU A 41 -4.882 -5.615 4.131 1.00 0.00 C ATOM 553 CD2 LEU A 41 -3.326 -7.460 3.482 1.00 0.00 C ATOM 0 H LEU A 41 -5.517 -5.475 0.568 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.090 -8.026 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.363 -6.524 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.745 -8.056 2.831 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.835 -5.765 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.064 -5.093 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.603 -4.888 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.372 -6.281 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.503 -6.946 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.820 -8.124 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.939 -8.045 2.648 1.00 0.00 H new ATOM 565 N ASN A 42 -6.922 -7.994 -0.613 1.00 0.00 N ATOM 566 CA ASN A 42 -7.937 -8.877 -1.233 1.00 0.00 C ATOM 567 C ASN A 42 -7.389 -9.481 -2.528 1.00 0.00 C ATOM 568 O ASN A 42 -8.021 -10.306 -3.158 1.00 0.00 O ATOM 569 CB ASN A 42 -9.133 -7.969 -1.519 1.00 0.00 C ATOM 570 CG ASN A 42 -10.068 -7.959 -0.306 1.00 0.00 C ATOM 571 OD1 ASN A 42 -9.870 -8.703 0.633 1.00 0.00 O ATOM 572 ND2 ASN A 42 -11.083 -7.140 -0.288 1.00 0.00 N ATOM 0 H ASN A 42 -6.952 -7.018 -0.908 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.211 -9.712 -0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.791 -6.957 -1.736 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.668 -8.321 -2.401 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.711 -7.124 0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.248 -6.515 -1.077 1.00 0.00 H new ATOM 579 N SER A 43 -6.216 -9.072 -2.929 1.00 0.00 N ATOM 580 CA SER A 43 -5.618 -9.613 -4.183 1.00 0.00 C ATOM 581 C SER A 43 -4.903 -10.937 -3.901 1.00 0.00 C ATOM 582 O SER A 43 -4.208 -11.471 -4.743 1.00 0.00 O ATOM 583 CB SER A 43 -4.614 -8.548 -4.623 1.00 0.00 C ATOM 584 OG SER A 43 -3.491 -8.576 -3.753 1.00 0.00 O ATOM 0 H SER A 43 -5.644 -8.384 -2.440 1.00 0.00 H new ATOM 0 HA SER A 43 -6.368 -9.815 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.298 -8.731 -5.650 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.079 -7.563 -4.604 1.00 0.00 H new ATOM 0 HG SER A 43 -3.687 -8.051 -2.949 1.00 0.00 H new ATOM 590 N LYS A 44 -5.066 -11.467 -2.721 1.00 0.00 N ATOM 591 CA LYS A 44 -4.393 -12.753 -2.378 1.00 0.00 C ATOM 592 C LYS A 44 -2.876 -12.556 -2.330 1.00 0.00 C ATOM 593 O LYS A 44 -2.121 -13.501 -2.201 1.00 0.00 O ATOM 594 CB LYS A 44 -4.774 -13.722 -3.499 1.00 0.00 C ATOM 595 CG LYS A 44 -4.609 -15.161 -3.005 1.00 0.00 C ATOM 596 CD LYS A 44 -5.746 -16.025 -3.555 1.00 0.00 C ATOM 597 CE LYS A 44 -6.913 -16.027 -2.563 1.00 0.00 C ATOM 598 NZ LYS A 44 -6.586 -17.104 -1.587 1.00 0.00 N ATOM 0 H LYS A 44 -5.637 -11.065 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.698 -13.128 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.804 -13.549 -3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.144 -13.551 -4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.647 -15.559 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.614 -15.185 -1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.076 -15.639 -4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.395 -17.043 -3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.011 -15.061 -2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.859 -16.225 -3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.340 -17.167 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.505 -18.012 -2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.684 -16.885 -1.118 1.00 0.00 H new ATOM 612 N LEU A 45 -2.422 -11.336 -2.429 1.00 0.00 N ATOM 613 CA LEU A 45 -0.953 -11.082 -2.384 1.00 0.00 C ATOM 614 C LEU A 45 -0.513 -10.774 -0.958 1.00 0.00 C ATOM 615 O LEU A 45 -1.296 -10.331 -0.143 1.00 0.00 O ATOM 616 CB LEU A 45 -0.728 -9.866 -3.278 1.00 0.00 C ATOM 617 CG LEU A 45 -0.620 -10.322 -4.730 1.00 0.00 C ATOM 618 CD1 LEU A 45 -0.540 -9.098 -5.644 1.00 0.00 C ATOM 619 CD2 LEU A 45 0.640 -11.176 -4.904 1.00 0.00 C ATOM 0 H LEU A 45 -3.004 -10.505 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.380 -11.947 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.551 -9.161 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.181 -9.344 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.497 -10.913 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.463 -9.423 -6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.437 -8.492 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.337 -8.506 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.718 -11.502 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.518 -10.586 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.581 -12.048 -4.253 1.00 0.00 H new ATOM 631 N PRO A 46 0.740 -11.019 -0.710 1.00 0.00 N ATOM 632 CA PRO A 46 1.307 -10.765 0.626 1.00 0.00 C ATOM 633 C PRO A 46 1.495 -9.260 0.837 1.00 0.00 C ATOM 634 O PRO A 46 1.411 -8.480 -0.088 1.00 0.00 O ATOM 635 CB PRO A 46 2.646 -11.497 0.589 1.00 0.00 C ATOM 636 CG PRO A 46 3.017 -11.572 -0.855 1.00 0.00 C ATOM 637 CD PRO A 46 1.734 -11.549 -1.647 1.00 0.00 C ATOM 0 HA PRO A 46 0.673 -11.106 1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.403 -10.961 1.162 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.562 -12.492 1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.655 -10.733 -1.132 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.580 -12.482 -1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.824 -10.918 -2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.462 -12.546 -1.993 1.00 0.00 H new ATOM 645 N VAL A 47 1.755 -8.852 2.046 1.00 0.00 N ATOM 646 CA VAL A 47 1.954 -7.414 2.339 1.00 0.00 C ATOM 647 C VAL A 47 3.232 -6.926 1.654 1.00 0.00 C ATOM 648 O VAL A 47 3.523 -5.746 1.619 1.00 0.00 O ATOM 649 CB VAL A 47 2.073 -7.387 3.867 1.00 0.00 C ATOM 650 CG1 VAL A 47 2.710 -6.083 4.344 1.00 0.00 C ATOM 651 CG2 VAL A 47 0.678 -7.518 4.482 1.00 0.00 C ATOM 0 H VAL A 47 1.839 -9.468 2.855 1.00 0.00 H new ATOM 0 HA VAL A 47 1.156 -6.764 1.979 1.00 0.00 H new ATOM 0 HB VAL A 47 2.706 -8.217 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.783 -6.090 5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.707 -5.987 3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.095 -5.241 4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.756 -7.499 5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.054 -6.689 4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.228 -8.460 4.167 1.00 0.00 H new ATOM 661 N ASP A 48 3.992 -7.827 1.090 1.00 0.00 N ATOM 662 CA ASP A 48 5.237 -7.417 0.401 1.00 0.00 C ATOM 663 C ASP A 48 4.890 -6.826 -0.962 1.00 0.00 C ATOM 664 O ASP A 48 5.566 -5.946 -1.460 1.00 0.00 O ATOM 665 CB ASP A 48 6.052 -8.703 0.244 1.00 0.00 C ATOM 666 CG ASP A 48 7.314 -8.416 -0.574 1.00 0.00 C ATOM 667 OD1 ASP A 48 7.450 -7.299 -1.046 1.00 0.00 O ATOM 668 OD2 ASP A 48 8.122 -9.319 -0.715 1.00 0.00 O ATOM 0 H ASP A 48 3.799 -8.829 1.080 1.00 0.00 H new ATOM 0 HA ASP A 48 5.793 -6.659 0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.323 -9.095 1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.452 -9.467 -0.250 1.00 0.00 H new ATOM 673 N ILE A 49 3.831 -7.293 -1.562 1.00 0.00 N ATOM 674 CA ILE A 49 3.431 -6.740 -2.882 1.00 0.00 C ATOM 675 C ILE A 49 2.598 -5.492 -2.661 1.00 0.00 C ATOM 676 O ILE A 49 2.677 -4.529 -3.394 1.00 0.00 O ATOM 677 CB ILE A 49 2.570 -7.808 -3.551 1.00 0.00 C ATOM 678 CG1 ILE A 49 3.170 -9.189 -3.315 1.00 0.00 C ATOM 679 CG2 ILE A 49 2.504 -7.526 -5.050 1.00 0.00 C ATOM 680 CD1 ILE A 49 4.632 -9.191 -3.749 1.00 0.00 C ATOM 0 H ILE A 49 3.229 -8.030 -1.196 1.00 0.00 H new ATOM 0 HA ILE A 49 4.297 -6.485 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 49 1.567 -7.784 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.092 -9.455 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.613 -9.940 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.891 -8.285 -5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.064 -6.543 -5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.510 -7.549 -5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.060 -10.179 -3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.697 -8.944 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.185 -8.452 -3.169 1.00 0.00 H new ATOM 692 N LEU A 50 1.797 -5.511 -1.641 1.00 0.00 N ATOM 693 CA LEU A 50 0.945 -4.341 -1.339 1.00 0.00 C ATOM 694 C LEU A 50 1.801 -3.243 -0.719 1.00 0.00 C ATOM 695 O LEU A 50 1.494 -2.071 -0.815 1.00 0.00 O ATOM 696 CB LEU A 50 -0.080 -4.849 -0.330 1.00 0.00 C ATOM 697 CG LEU A 50 -0.624 -6.213 -0.766 1.00 0.00 C ATOM 698 CD1 LEU A 50 -1.823 -6.585 0.109 1.00 0.00 C ATOM 699 CD2 LEU A 50 -1.055 -6.153 -2.235 1.00 0.00 C ATOM 0 H LEU A 50 1.696 -6.296 -0.998 1.00 0.00 H new ATOM 0 HA LEU A 50 0.467 -3.926 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.379 -4.931 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.899 -4.135 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 50 0.155 -6.967 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.212 -7.555 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.511 -6.634 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.602 -5.831 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.441 -7.125 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.833 -5.399 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.198 -5.892 -2.855 1.00 0.00 H new ATOM 711 N GLY A 51 2.887 -3.614 -0.098 1.00 0.00 N ATOM 712 CA GLY A 51 3.771 -2.582 0.509 1.00 0.00 C ATOM 713 C GLY A 51 4.540 -1.912 -0.617 1.00 0.00 C ATOM 714 O GLY A 51 4.963 -0.778 -0.517 1.00 0.00 O ATOM 0 H GLY A 51 3.198 -4.579 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.181 -1.848 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.457 -3.038 1.222 1.00 0.00 H new ATOM 718 N ARG A 52 4.699 -2.618 -1.696 1.00 0.00 N ATOM 719 CA ARG A 52 5.409 -2.067 -2.871 1.00 0.00 C ATOM 720 C ARG A 52 4.385 -1.613 -3.911 1.00 0.00 C ATOM 721 O ARG A 52 4.617 -0.684 -4.658 1.00 0.00 O ATOM 722 CB ARG A 52 6.244 -3.229 -3.401 1.00 0.00 C ATOM 723 CG ARG A 52 7.692 -2.780 -3.571 1.00 0.00 C ATOM 724 CD ARG A 52 8.472 -3.842 -4.351 1.00 0.00 C ATOM 725 NE ARG A 52 8.944 -4.807 -3.319 1.00 0.00 N ATOM 726 CZ ARG A 52 9.874 -5.674 -3.613 1.00 0.00 C ATOM 727 NH1 ARG A 52 11.129 -5.369 -3.434 1.00 0.00 N ATOM 728 NH2 ARG A 52 9.547 -6.845 -4.084 1.00 0.00 N ATOM 0 H ARG A 52 4.359 -3.573 -1.813 1.00 0.00 H new ATOM 0 HA ARG A 52 6.030 -1.204 -2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.192 -4.072 -2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.844 -3.572 -4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.728 -1.827 -4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.151 -2.621 -2.595 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.839 -4.333 -5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.309 -3.400 -4.891 1.00 0.00 H new ATOM 0 HE ARG A 52 8.540 -4.790 -2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.384 -4.453 -3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.856 -6.046 -3.664 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.565 -7.083 -4.222 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.273 -7.523 -4.314 1.00 0.00 H new ATOM 742 N VAL A 53 3.239 -2.247 -3.956 1.00 0.00 N ATOM 743 CA VAL A 53 2.209 -1.815 -4.939 1.00 0.00 C ATOM 744 C VAL A 53 1.681 -0.457 -4.499 1.00 0.00 C ATOM 745 O VAL A 53 1.677 0.494 -5.255 1.00 0.00 O ATOM 746 CB VAL A 53 1.119 -2.885 -4.901 1.00 0.00 C ATOM 747 CG1 VAL A 53 -0.165 -2.331 -5.521 1.00 0.00 C ATOM 748 CG2 VAL A 53 1.587 -4.105 -5.702 1.00 0.00 C ATOM 0 H VAL A 53 2.978 -3.034 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 53 2.592 -1.712 -5.954 1.00 0.00 H new ATOM 0 HB VAL A 53 0.925 -3.174 -3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.942 -3.095 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.494 -1.458 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.025 -2.044 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.814 -4.873 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.777 -3.811 -6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.503 -4.499 -5.262 1.00 0.00 H new ATOM 758 N TRP A 54 1.283 -0.340 -3.260 1.00 0.00 N ATOM 759 CA TRP A 54 0.819 0.981 -2.770 1.00 0.00 C ATOM 760 C TRP A 54 1.978 1.960 -2.927 1.00 0.00 C ATOM 761 O TRP A 54 1.854 3.005 -3.523 1.00 0.00 O ATOM 762 CB TRP A 54 0.491 0.787 -1.285 1.00 0.00 C ATOM 763 CG TRP A 54 0.583 2.109 -0.589 1.00 0.00 C ATOM 764 CD1 TRP A 54 1.739 2.729 -0.256 1.00 0.00 C ATOM 765 CD2 TRP A 54 -0.488 2.987 -0.150 1.00 0.00 C ATOM 766 NE1 TRP A 54 1.447 3.935 0.335 1.00 0.00 N ATOM 767 CE2 TRP A 54 0.087 4.137 0.438 1.00 0.00 C ATOM 768 CE3 TRP A 54 -1.888 2.899 -0.205 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -0.699 5.161 0.955 1.00 0.00 C ATOM 770 CZ3 TRP A 54 -2.684 3.934 0.319 1.00 0.00 C ATOM 771 CH2 TRP A 54 -2.088 5.057 0.897 1.00 0.00 C ATOM 0 H TRP A 54 1.261 -1.096 -2.576 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.048 1.360 -3.311 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.510 0.371 -1.172 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.185 0.076 -0.836 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.731 2.339 -0.427 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.150 4.599 0.658 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.356 2.034 -0.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.237 6.031 1.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.761 3.860 0.274 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.705 5.847 1.300 1.00 0.00 H new ATOM 782 N GLU A 55 3.112 1.609 -2.383 1.00 0.00 N ATOM 783 CA GLU A 55 4.302 2.489 -2.480 1.00 0.00 C ATOM 784 C GLU A 55 4.458 3.002 -3.901 1.00 0.00 C ATOM 785 O GLU A 55 4.323 4.176 -4.178 1.00 0.00 O ATOM 786 CB GLU A 55 5.447 1.564 -2.139 1.00 0.00 C ATOM 787 CG GLU A 55 6.071 1.958 -0.809 1.00 0.00 C ATOM 788 CD GLU A 55 4.977 2.285 0.210 1.00 0.00 C ATOM 789 OE1 GLU A 55 4.262 1.375 0.591 1.00 0.00 O ATOM 790 OE2 GLU A 55 4.876 3.439 0.591 1.00 0.00 O ATOM 0 H GLU A 55 3.262 0.740 -1.871 1.00 0.00 H new ATOM 0 HA GLU A 55 4.243 3.363 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.089 0.536 -2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.200 1.602 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.695 1.145 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.721 2.822 -0.946 1.00 0.00 H new ATOM 797 N LEU A 56 4.728 2.111 -4.806 1.00 0.00 N ATOM 798 CA LEU A 56 4.882 2.511 -6.224 1.00 0.00 C ATOM 799 C LEU A 56 3.607 3.220 -6.673 1.00 0.00 C ATOM 800 O LEU A 56 3.595 3.958 -7.639 1.00 0.00 O ATOM 801 CB LEU A 56 5.111 1.195 -6.960 1.00 0.00 C ATOM 802 CG LEU A 56 6.441 0.601 -6.488 1.00 0.00 C ATOM 803 CD1 LEU A 56 6.460 -0.905 -6.748 1.00 0.00 C ATOM 804 CD2 LEU A 56 7.595 1.268 -7.242 1.00 0.00 C ATOM 0 H LEU A 56 4.849 1.115 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 56 5.701 3.205 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.294 0.502 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.131 1.362 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 56 6.554 0.779 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.409 -1.321 -6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.642 -1.378 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.342 -1.091 -7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.542 0.845 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.479 1.094 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.586 2.340 -7.046 1.00 0.00 H new ATOM 816 N SER A 57 2.542 3.030 -5.942 1.00 0.00 N ATOM 817 CA SER A 57 1.271 3.720 -6.277 1.00 0.00 C ATOM 818 C SER A 57 1.219 5.044 -5.506 1.00 0.00 C ATOM 819 O SER A 57 0.462 5.938 -5.830 1.00 0.00 O ATOM 820 CB SER A 57 0.164 2.775 -5.815 1.00 0.00 C ATOM 821 OG SER A 57 -1.032 3.516 -5.621 1.00 0.00 O ATOM 0 H SER A 57 2.501 2.423 -5.124 1.00 0.00 H new ATOM 0 HA SER A 57 1.171 3.946 -7.338 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.005 1.992 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.454 2.281 -4.888 1.00 0.00 H new ATOM 0 HG SER A 57 -1.438 3.715 -6.490 1.00 0.00 H new ATOM 827 N ASP A 58 2.038 5.174 -4.486 1.00 0.00 N ATOM 828 CA ASP A 58 2.060 6.434 -3.691 1.00 0.00 C ATOM 829 C ASP A 58 3.160 7.349 -4.225 1.00 0.00 C ATOM 830 O ASP A 58 4.260 7.381 -3.709 1.00 0.00 O ATOM 831 CB ASP A 58 2.375 5.996 -2.259 1.00 0.00 C ATOM 832 CG ASP A 58 2.676 7.229 -1.403 1.00 0.00 C ATOM 833 OD1 ASP A 58 1.801 8.070 -1.279 1.00 0.00 O ATOM 834 OD2 ASP A 58 3.779 7.312 -0.886 1.00 0.00 O ATOM 0 H ASP A 58 2.692 4.456 -4.174 1.00 0.00 H new ATOM 0 HA ASP A 58 1.120 6.983 -3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.531 5.447 -1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.229 5.319 -2.254 1.00 0.00 H new ATOM 839 N ILE A 59 2.882 8.077 -5.268 1.00 0.00 N ATOM 840 CA ILE A 59 3.920 8.973 -5.851 1.00 0.00 C ATOM 841 C ILE A 59 3.915 10.339 -5.157 1.00 0.00 C ATOM 842 O ILE A 59 4.890 11.063 -5.195 1.00 0.00 O ATOM 843 CB ILE A 59 3.533 9.101 -7.322 1.00 0.00 C ATOM 844 CG1 ILE A 59 3.881 7.794 -8.044 1.00 0.00 C ATOM 845 CG2 ILE A 59 4.306 10.258 -7.956 1.00 0.00 C ATOM 846 CD1 ILE A 59 2.990 7.623 -9.279 1.00 0.00 C ATOM 0 H ILE A 59 1.980 8.091 -5.744 1.00 0.00 H new ATOM 0 HA ILE A 59 4.928 8.578 -5.725 1.00 0.00 H new ATOM 0 HB ILE A 59 2.464 9.296 -7.407 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.930 7.801 -8.341 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.746 6.949 -7.369 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.029 10.348 -9.006 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.065 11.185 -7.436 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.376 10.066 -7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.245 6.692 -9.785 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.944 7.595 -8.972 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.146 8.460 -9.959 1.00 0.00 H new ATOM 858 N ASP A 60 2.837 10.696 -4.511 1.00 0.00 N ATOM 859 CA ASP A 60 2.803 12.013 -3.812 1.00 0.00 C ATOM 860 C ASP A 60 3.195 11.825 -2.343 1.00 0.00 C ATOM 861 O ASP A 60 3.621 12.752 -1.682 1.00 0.00 O ATOM 862 CB ASP A 60 1.361 12.505 -3.936 1.00 0.00 C ATOM 863 CG ASP A 60 0.416 11.510 -3.261 1.00 0.00 C ATOM 864 OD1 ASP A 60 0.714 11.094 -2.155 1.00 0.00 O ATOM 865 OD2 ASP A 60 -0.592 11.180 -3.863 1.00 0.00 O ATOM 0 H ASP A 60 1.986 10.138 -4.437 1.00 0.00 H new ATOM 0 HA ASP A 60 3.501 12.731 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.261 13.487 -3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.095 12.619 -4.987 1.00 0.00 H new ATOM 870 N HIS A 61 3.060 10.628 -1.833 1.00 0.00 N ATOM 871 CA HIS A 61 3.433 10.361 -0.409 1.00 0.00 C ATOM 872 C HIS A 61 2.434 11.021 0.544 1.00 0.00 C ATOM 873 O HIS A 61 2.802 11.560 1.569 1.00 0.00 O ATOM 874 CB HIS A 61 4.829 10.966 -0.226 1.00 0.00 C ATOM 875 CG HIS A 61 5.677 10.654 -1.429 1.00 0.00 C ATOM 876 ND1 HIS A 61 5.970 11.379 -2.558 1.00 0.00 N flip ATOM 877 CD2 HIS A 61 6.354 9.452 -1.565 1.00 0.00 C flip ATOM 878 CE1 HIS A 61 6.813 10.641 -3.383 1.00 0.00 C flip ATOM 879 NE2 HIS A 61 7.012 9.489 -2.737 1.00 0.00 N flip ATOM 0 H HIS A 61 2.706 9.819 -2.343 1.00 0.00 H new ATOM 0 HA HIS A 61 3.424 9.294 -0.186 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.754 12.045 -0.092 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.295 10.565 0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.353 8.635 -0.859 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.219 10.936 -4.339 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.593 8.729 -3.090 1.00 0.00 H new ATOM 887 N ASP A 62 1.174 10.971 0.221 1.00 0.00 N ATOM 888 CA ASP A 62 0.153 11.584 1.115 1.00 0.00 C ATOM 889 C ASP A 62 -0.540 10.487 1.925 1.00 0.00 C ATOM 890 O ASP A 62 -1.584 10.698 2.510 1.00 0.00 O ATOM 891 CB ASP A 62 -0.840 12.267 0.175 1.00 0.00 C ATOM 892 CG ASP A 62 -1.627 11.203 -0.593 1.00 0.00 C ATOM 893 OD1 ASP A 62 -1.185 10.066 -0.614 1.00 0.00 O ATOM 894 OD2 ASP A 62 -2.660 11.544 -1.147 1.00 0.00 O ATOM 0 H ASP A 62 0.806 10.532 -0.623 1.00 0.00 H new ATOM 0 HA ASP A 62 0.585 12.290 1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.522 12.899 0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.310 12.917 -0.522 1.00 0.00 H new ATOM 899 N GLY A 63 0.032 9.312 1.957 1.00 0.00 N ATOM 900 CA GLY A 63 -0.596 8.196 2.720 1.00 0.00 C ATOM 901 C GLY A 63 -1.963 7.884 2.110 1.00 0.00 C ATOM 902 O GLY A 63 -2.884 7.485 2.795 1.00 0.00 O ATOM 0 H GLY A 63 0.907 9.078 1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.041 7.312 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.706 8.472 3.769 1.00 0.00 H new ATOM 906 N MET A 64 -2.102 8.068 0.823 1.00 0.00 N ATOM 907 CA MET A 64 -3.410 7.787 0.161 1.00 0.00 C ATOM 908 C MET A 64 -3.211 7.453 -1.319 1.00 0.00 C ATOM 909 O MET A 64 -2.202 7.784 -1.911 1.00 0.00 O ATOM 910 CB MET A 64 -4.228 9.072 0.291 1.00 0.00 C ATOM 911 CG MET A 64 -4.379 9.457 1.759 1.00 0.00 C ATOM 912 SD MET A 64 -5.529 10.848 1.904 1.00 0.00 S ATOM 913 CE MET A 64 -7.062 9.894 1.767 1.00 0.00 C ATOM 0 H MET A 64 -1.365 8.401 0.201 1.00 0.00 H new ATOM 0 HA MET A 64 -3.906 6.934 0.623 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.740 9.879 -0.255 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.211 8.932 -0.158 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.746 8.606 2.333 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.409 9.728 2.176 1.00 0.00 H new ATOM 0 HE1 MET A 64 -7.906 10.518 2.060 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.194 9.564 0.737 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.009 9.025 2.422 1.00 0.00 H new ATOM 923 N LEU A 65 -4.183 6.832 -1.930 1.00 0.00 N ATOM 924 CA LEU A 65 -4.071 6.513 -3.383 1.00 0.00 C ATOM 925 C LEU A 65 -5.164 7.258 -4.151 1.00 0.00 C ATOM 926 O LEU A 65 -6.310 6.854 -4.162 1.00 0.00 O ATOM 927 CB LEU A 65 -4.288 5.002 -3.497 1.00 0.00 C ATOM 928 CG LEU A 65 -3.030 4.242 -3.063 1.00 0.00 C ATOM 929 CD1 LEU A 65 -3.098 2.813 -3.602 1.00 0.00 C ATOM 930 CD2 LEU A 65 -1.781 4.929 -3.623 1.00 0.00 C ATOM 0 H LEU A 65 -5.051 6.531 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.106 6.809 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.133 4.703 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.540 4.742 -4.525 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.976 4.231 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.206 2.266 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.982 2.316 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.154 2.837 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.893 4.381 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.832 4.945 -4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.729 5.951 -3.248 1.00 0.00 H new ATOM 942 N ASP A 66 -4.827 8.346 -4.786 1.00 0.00 N ATOM 943 CA ASP A 66 -5.861 9.108 -5.542 1.00 0.00 C ATOM 944 C ASP A 66 -6.305 8.321 -6.776 1.00 0.00 C ATOM 945 O ASP A 66 -5.630 7.417 -7.226 1.00 0.00 O ATOM 946 CB ASP A 66 -5.183 10.419 -5.942 1.00 0.00 C ATOM 947 CG ASP A 66 -4.093 10.136 -6.977 1.00 0.00 C ATOM 948 OD1 ASP A 66 -4.417 9.570 -8.008 1.00 0.00 O ATOM 949 OD2 ASP A 66 -2.954 10.489 -6.722 1.00 0.00 O ATOM 0 H ASP A 66 -3.886 8.739 -4.815 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.757 9.286 -4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.919 11.110 -6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.750 10.899 -5.064 1.00 0.00 H new ATOM 954 N ARG A 67 -7.446 8.660 -7.311 1.00 0.00 N ATOM 955 CA ARG A 67 -7.976 7.946 -8.516 1.00 0.00 C ATOM 956 C ARG A 67 -6.846 7.497 -9.448 1.00 0.00 C ATOM 957 O ARG A 67 -6.834 6.379 -9.928 1.00 0.00 O ATOM 958 CB ARG A 67 -8.874 8.964 -9.234 1.00 0.00 C ATOM 959 CG ARG A 67 -8.364 10.389 -8.995 1.00 0.00 C ATOM 960 CD ARG A 67 -8.578 11.231 -10.253 1.00 0.00 C ATOM 961 NE ARG A 67 -8.392 12.639 -9.806 1.00 0.00 N ATOM 962 CZ ARG A 67 -7.204 13.068 -9.479 1.00 0.00 C ATOM 963 NH1 ARG A 67 -6.192 12.857 -10.278 1.00 0.00 N ATOM 964 NH2 ARG A 67 -7.027 13.705 -8.354 1.00 0.00 N ATOM 0 H ARG A 67 -8.043 9.410 -6.963 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.516 7.044 -8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.892 8.752 -10.303 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.899 8.872 -8.874 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.890 10.837 -8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.306 10.368 -8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.864 10.966 -11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.574 11.076 -10.668 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.193 13.268 -9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.331 12.357 -11.156 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.263 13.192 -10.023 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.817 13.868 -7.730 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.098 14.040 -8.098 1.00 0.00 H new ATOM 978 N ASP A 68 -5.905 8.354 -9.712 1.00 0.00 N ATOM 979 CA ASP A 68 -4.786 7.972 -10.622 1.00 0.00 C ATOM 980 C ASP A 68 -3.771 7.100 -9.883 1.00 0.00 C ATOM 981 O ASP A 68 -3.271 6.127 -10.413 1.00 0.00 O ATOM 982 CB ASP A 68 -4.151 9.297 -11.046 1.00 0.00 C ATOM 983 CG ASP A 68 -4.821 9.795 -12.328 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.678 9.093 -12.837 1.00 0.00 O ATOM 985 OD2 ASP A 68 -4.465 10.871 -12.778 1.00 0.00 O ATOM 0 H ASP A 68 -5.859 9.302 -9.339 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.131 7.393 -11.478 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.263 10.037 -10.253 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.082 9.164 -11.209 1.00 0.00 H new ATOM 990 N GLU A 69 -3.469 7.434 -8.661 1.00 0.00 N ATOM 991 CA GLU A 69 -2.494 6.617 -7.886 1.00 0.00 C ATOM 992 C GLU A 69 -3.099 5.252 -7.597 1.00 0.00 C ATOM 993 O GLU A 69 -2.486 4.227 -7.819 1.00 0.00 O ATOM 994 CB GLU A 69 -2.267 7.391 -6.590 1.00 0.00 C ATOM 995 CG GLU A 69 -1.210 8.464 -6.831 1.00 0.00 C ATOM 996 CD GLU A 69 -0.935 9.217 -5.529 1.00 0.00 C ATOM 997 OE1 GLU A 69 -1.883 9.485 -4.810 1.00 0.00 O ATOM 998 OE2 GLU A 69 0.222 9.511 -5.272 1.00 0.00 O ATOM 0 H GLU A 69 -3.855 8.237 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.559 6.454 -8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.199 7.848 -6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.943 6.714 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.291 8.007 -7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.551 9.158 -7.599 1.00 0.00 H new ATOM 1005 N PHE A 70 -4.311 5.229 -7.123 1.00 0.00 N ATOM 1006 CA PHE A 70 -4.965 3.928 -6.845 1.00 0.00 C ATOM 1007 C PHE A 70 -4.996 3.110 -8.134 1.00 0.00 C ATOM 1008 O PHE A 70 -5.165 1.907 -8.121 1.00 0.00 O ATOM 1009 CB PHE A 70 -6.379 4.287 -6.391 1.00 0.00 C ATOM 1010 CG PHE A 70 -7.059 3.058 -5.844 1.00 0.00 C ATOM 1011 CD1 PHE A 70 -7.431 2.021 -6.706 1.00 0.00 C ATOM 1012 CD2 PHE A 70 -7.314 2.954 -4.472 1.00 0.00 C ATOM 1013 CE1 PHE A 70 -8.059 0.880 -6.196 1.00 0.00 C ATOM 1014 CE2 PHE A 70 -7.941 1.814 -3.962 1.00 0.00 C ATOM 1015 CZ PHE A 70 -8.313 0.777 -4.823 1.00 0.00 C ATOM 0 H PHE A 70 -4.874 6.054 -6.917 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.447 3.336 -6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.341 5.064 -5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.950 4.689 -7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.233 2.101 -7.765 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.026 3.755 -3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.348 0.079 -6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.138 1.734 -2.903 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.797 -0.104 -4.429 1.00 0.00 H new ATOM 1025 N ALA A 71 -4.817 3.761 -9.253 1.00 0.00 N ATOM 1026 CA ALA A 71 -4.822 3.027 -10.547 1.00 0.00 C ATOM 1027 C ALA A 71 -3.510 2.269 -10.707 1.00 0.00 C ATOM 1028 O ALA A 71 -3.487 1.074 -10.932 1.00 0.00 O ATOM 1029 CB ALA A 71 -4.939 4.111 -11.619 1.00 0.00 C ATOM 0 H ALA A 71 -4.668 4.768 -9.324 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.633 2.302 -10.613 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.949 3.648 -12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.863 4.671 -11.471 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.089 4.789 -11.545 1.00 0.00 H new ATOM 1035 N VAL A 72 -2.416 2.959 -10.584 1.00 0.00 N ATOM 1036 CA VAL A 72 -1.095 2.293 -10.718 1.00 0.00 C ATOM 1037 C VAL A 72 -1.005 1.127 -9.731 1.00 0.00 C ATOM 1038 O VAL A 72 -0.293 0.166 -9.949 1.00 0.00 O ATOM 1039 CB VAL A 72 -0.076 3.375 -10.367 1.00 0.00 C ATOM 1040 CG1 VAL A 72 1.309 2.744 -10.221 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -0.049 4.434 -11.476 1.00 0.00 C ATOM 0 H VAL A 72 -2.379 3.961 -10.395 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.926 1.885 -11.715 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.357 3.848 -9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.036 3.516 -9.971 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.286 1.996 -9.428 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.593 2.269 -11.160 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.679 5.206 -11.225 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.230 3.966 -12.420 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.037 4.884 -11.573 1.00 0.00 H new ATOM 1051 N ALA A 73 -1.723 1.209 -8.643 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.684 0.111 -7.631 1.00 0.00 C ATOM 1053 C ALA A 73 -2.757 -0.937 -7.925 1.00 0.00 C ATOM 1054 O ALA A 73 -2.859 -1.931 -7.247 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.966 0.801 -6.300 1.00 0.00 C ATOM 0 H ALA A 73 -2.336 1.990 -8.410 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.729 -0.414 -7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.956 0.063 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.200 1.553 -6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.944 1.281 -6.339 1.00 0.00 H new ATOM 1061 N MET A 74 -3.563 -0.730 -8.923 1.00 0.00 N ATOM 1062 CA MET A 74 -4.618 -1.737 -9.228 1.00 0.00 C ATOM 1063 C MET A 74 -4.062 -2.813 -10.152 1.00 0.00 C ATOM 1064 O MET A 74 -4.180 -3.993 -9.888 1.00 0.00 O ATOM 1065 CB MET A 74 -5.728 -0.951 -9.922 1.00 0.00 C ATOM 1066 CG MET A 74 -6.745 -0.469 -8.889 1.00 0.00 C ATOM 1067 SD MET A 74 -7.771 -1.863 -8.362 1.00 0.00 S ATOM 1068 CE MET A 74 -7.029 -2.064 -6.727 1.00 0.00 C ATOM 0 H MET A 74 -3.541 0.084 -9.538 1.00 0.00 H new ATOM 0 HA MET A 74 -4.980 -2.243 -8.333 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.305 -0.099 -10.454 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.220 -1.578 -10.665 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.231 -0.036 -8.031 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.369 0.316 -9.316 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.697 -3.095 -6.602 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.175 -1.393 -6.630 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.767 -1.825 -5.961 1.00 0.00 H new ATOM 1078 N PHE A 75 -3.436 -2.421 -11.220 1.00 0.00 N ATOM 1079 CA PHE A 75 -2.856 -3.436 -12.135 1.00 0.00 C ATOM 1080 C PHE A 75 -1.603 -3.995 -11.467 1.00 0.00 C ATOM 1081 O PHE A 75 -1.227 -5.133 -11.658 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.545 -2.687 -13.437 1.00 0.00 C ATOM 1083 CG PHE A 75 -1.180 -2.052 -13.367 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -0.051 -2.771 -13.775 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -1.046 -0.745 -12.894 1.00 0.00 C ATOM 1086 CE1 PHE A 75 1.214 -2.181 -13.709 1.00 0.00 C ATOM 1087 CE2 PHE A 75 0.217 -0.155 -12.828 1.00 0.00 C ATOM 1088 CZ PHE A 75 1.348 -0.871 -13.234 1.00 0.00 C ATOM 0 H PHE A 75 -3.301 -1.449 -11.499 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.516 -4.276 -12.349 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.589 -3.377 -14.280 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.300 -1.921 -13.612 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.157 -3.782 -14.141 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.919 -0.192 -12.580 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.086 -2.734 -14.024 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.321 0.856 -12.463 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.325 -0.413 -13.181 1.00 0.00 H new ATOM 1098 N LEU A 76 -0.983 -3.196 -10.638 1.00 0.00 N ATOM 1099 CA LEU A 76 0.214 -3.667 -9.898 1.00 0.00 C ATOM 1100 C LEU A 76 -0.216 -4.816 -8.994 1.00 0.00 C ATOM 1101 O LEU A 76 0.537 -5.729 -8.715 1.00 0.00 O ATOM 1102 CB LEU A 76 0.665 -2.457 -9.078 1.00 0.00 C ATOM 1103 CG LEU A 76 1.787 -1.731 -9.820 1.00 0.00 C ATOM 1104 CD1 LEU A 76 2.267 -0.541 -8.986 1.00 0.00 C ATOM 1105 CD2 LEU A 76 2.952 -2.695 -10.047 1.00 0.00 C ATOM 0 H LEU A 76 -1.260 -2.234 -10.444 1.00 0.00 H new ATOM 0 HA LEU A 76 1.020 -4.027 -10.538 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.174 -1.781 -8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.012 -2.778 -8.096 1.00 0.00 H new ATOM 0 HG LEU A 76 1.415 -1.374 -10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.067 -0.024 -9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.437 0.147 -8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.639 -0.897 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.753 -2.179 -10.576 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.322 -3.051 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.612 -3.543 -10.641 1.00 0.00 H new ATOM 1117 N VAL A 77 -1.442 -4.774 -8.551 1.00 0.00 N ATOM 1118 CA VAL A 77 -1.973 -5.853 -7.677 1.00 0.00 C ATOM 1119 C VAL A 77 -2.628 -6.937 -8.528 1.00 0.00 C ATOM 1120 O VAL A 77 -2.742 -8.071 -8.116 1.00 0.00 O ATOM 1121 CB VAL A 77 -3.007 -5.158 -6.788 1.00 0.00 C ATOM 1122 CG1 VAL A 77 -3.932 -6.204 -6.158 1.00 0.00 C ATOM 1123 CG2 VAL A 77 -2.287 -4.385 -5.683 1.00 0.00 C ATOM 0 H VAL A 77 -2.105 -4.028 -8.761 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.195 -6.341 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.599 -4.470 -7.391 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.667 -5.706 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.445 -6.757 -6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.343 -6.895 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.021 -3.889 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.695 -5.076 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.630 -3.639 -6.130 1.00 0.00 H new ATOM 1133 N TYR A 78 -3.058 -6.598 -9.711 1.00 0.00 N ATOM 1134 CA TYR A 78 -3.699 -7.618 -10.585 1.00 0.00 C ATOM 1135 C TYR A 78 -2.630 -8.304 -11.435 1.00 0.00 C ATOM 1136 O TYR A 78 -2.816 -9.402 -11.920 1.00 0.00 O ATOM 1137 CB TYR A 78 -4.674 -6.836 -11.464 1.00 0.00 C ATOM 1138 CG TYR A 78 -6.074 -7.009 -10.931 1.00 0.00 C ATOM 1139 CD1 TYR A 78 -6.589 -8.294 -10.721 1.00 0.00 C ATOM 1140 CD2 TYR A 78 -6.859 -5.885 -10.648 1.00 0.00 C ATOM 1141 CE1 TYR A 78 -7.889 -8.455 -10.225 1.00 0.00 C ATOM 1142 CE2 TYR A 78 -8.158 -6.044 -10.153 1.00 0.00 C ATOM 1143 CZ TYR A 78 -8.675 -7.330 -9.942 1.00 0.00 C ATOM 1144 OH TYR A 78 -9.958 -7.488 -9.457 1.00 0.00 O ATOM 0 H TYR A 78 -2.993 -5.661 -10.109 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.211 -8.396 -10.019 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.405 -5.780 -11.475 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.618 -7.190 -12.493 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.984 -9.161 -10.941 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.462 -4.894 -10.812 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.285 -9.446 -10.061 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.762 -5.176 -9.933 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.364 -6.608 -9.313 1.00 0.00 H new ATOM 1154 N CYS A 79 -1.504 -7.666 -11.606 1.00 0.00 N ATOM 1155 CA CYS A 79 -0.416 -8.281 -12.412 1.00 0.00 C ATOM 1156 C CYS A 79 0.408 -9.217 -11.527 1.00 0.00 C ATOM 1157 O CYS A 79 1.113 -10.080 -12.009 1.00 0.00 O ATOM 1158 CB CYS A 79 0.439 -7.109 -12.900 1.00 0.00 C ATOM 1159 SG CYS A 79 1.305 -7.583 -14.416 1.00 0.00 S ATOM 0 H CYS A 79 -1.292 -6.745 -11.221 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.796 -8.871 -13.246 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.190 -6.238 -13.085 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.158 -6.825 -12.132 1.00 0.00 H new ATOM 0 HG CYS A 79 2.030 -6.587 -14.831 1.00 0.00 H new ATOM 1165 N ALA A 80 0.307 -9.065 -10.230 1.00 0.00 N ATOM 1166 CA ALA A 80 1.072 -9.959 -9.317 1.00 0.00 C ATOM 1167 C ALA A 80 0.318 -11.275 -9.161 1.00 0.00 C ATOM 1168 O ALA A 80 0.845 -12.263 -8.688 1.00 0.00 O ATOM 1169 CB ALA A 80 1.136 -9.211 -7.982 1.00 0.00 C ATOM 0 H ALA A 80 -0.271 -8.362 -9.768 1.00 0.00 H new ATOM 0 HA ALA A 80 2.070 -10.192 -9.690 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.686 -9.809 -7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.642 -8.256 -8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.125 -9.035 -7.615 1.00 0.00 H new ATOM 1521 N ASN B 109 2.705 3.769 4.245 1.00 0.00 N ATOM 1522 CA ASN B 109 2.543 2.386 3.711 1.00 0.00 C ATOM 1523 C ASN B 109 1.808 1.507 4.734 1.00 0.00 C ATOM 1524 O ASN B 109 2.309 1.259 5.813 1.00 0.00 O ATOM 1525 CB ASN B 109 3.973 1.888 3.485 1.00 0.00 C ATOM 1526 CG ASN B 109 3.996 0.358 3.465 1.00 0.00 C ATOM 1527 OD1 ASN B 109 3.736 -0.275 4.468 1.00 0.00 O ATOM 1528 ND2 ASN B 109 4.285 -0.267 2.356 1.00 0.00 N ATOM 0 HA ASN B 109 1.953 2.355 2.795 1.00 0.00 H new ATOM 0 HB2 ASN B 109 4.358 2.278 2.543 1.00 0.00 H new ATOM 0 HB3 ASN B 109 4.626 2.260 4.275 1.00 0.00 H new ATOM 0 HD21 ASN B 109 4.292 -1.287 2.332 1.00 0.00 H new ATOM 0 HD22 ASN B 109 4.503 0.264 1.513 1.00 0.00 H new ATOM 1535 N PRO B 110 0.638 1.066 4.356 1.00 0.00 N ATOM 1536 CA PRO B 110 -0.178 0.209 5.246 1.00 0.00 C ATOM 1537 C PRO B 110 0.266 -1.261 5.157 1.00 0.00 C ATOM 1538 O PRO B 110 -0.481 -2.159 5.491 1.00 0.00 O ATOM 1539 CB PRO B 110 -1.590 0.380 4.698 1.00 0.00 C ATOM 1540 CG PRO B 110 -1.422 0.763 3.259 1.00 0.00 C ATOM 1541 CD PRO B 110 -0.033 1.328 3.081 1.00 0.00 C ATOM 0 HA PRO B 110 -0.089 0.482 6.297 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -2.162 -0.543 4.793 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -2.133 1.149 5.247 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -1.565 -0.105 2.615 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -2.172 1.500 2.972 1.00 0.00 H new ATOM 0 HD2 PRO B 110 0.488 0.847 2.253 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -0.064 2.395 2.861 1.00 0.00 H new ATOM 1549 N PHE B 111 1.470 -1.517 4.714 1.00 0.00 N ATOM 1550 CA PHE B 111 1.944 -2.930 4.616 1.00 0.00 C ATOM 1551 C PHE B 111 3.325 -3.068 5.267 1.00 0.00 C ATOM 1552 O PHE B 111 4.035 -4.027 5.046 1.00 0.00 O ATOM 1553 CB PHE B 111 2.028 -3.225 3.115 1.00 0.00 C ATOM 1554 CG PHE B 111 0.665 -3.058 2.486 1.00 0.00 C ATOM 1555 CD1 PHE B 111 -0.337 -4.005 2.731 1.00 0.00 C ATOM 1556 CD2 PHE B 111 0.404 -1.963 1.652 1.00 0.00 C ATOM 1557 CE1 PHE B 111 -1.598 -3.858 2.143 1.00 0.00 C ATOM 1558 CE2 PHE B 111 -0.858 -1.815 1.067 1.00 0.00 C ATOM 1559 CZ PHE B 111 -1.858 -2.762 1.311 1.00 0.00 C ATOM 0 H PHE B 111 2.144 -0.811 4.417 1.00 0.00 H new ATOM 0 HA PHE B 111 1.277 -3.624 5.128 1.00 0.00 H new ATOM 0 HB2 PHE B 111 2.742 -2.552 2.642 1.00 0.00 H new ATOM 0 HB3 PHE B 111 2.392 -4.240 2.954 1.00 0.00 H new ATOM 0 HD1 PHE B 111 -0.136 -4.849 3.374 1.00 0.00 H new ATOM 0 HD2 PHE B 111 1.177 -1.233 1.461 1.00 0.00 H new ATOM 0 HE1 PHE B 111 -2.370 -4.589 2.331 1.00 0.00 H new ATOM 0 HE2 PHE B 111 -1.060 -0.969 0.427 1.00 0.00 H new ATOM 0 HZ PHE B 111 -2.831 -2.648 0.857 1.00 0.00 H new