USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 811 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 52 ASN : amide:sc= -1.16 K(o=-1.3,f=-11!) USER MOD Set 1.2: A 54 GLN : amide:sc= -0.19 K(o=-1.3,f=-2.7!) USER MOD Set 2.1: A 3 SER OG : rot 11:sc= 0.253 USER MOD Set 2.2: A 4 GLN : amide:sc= 0.492 K(o=0.75,f=-1.9!) USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.00348 (180deg=0) USER MOD Single : A 2 ASN : amide:sc=-0.00729 X(o=-0.0073,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.253 K(o=-0.25,f=-1.3) USER MOD Single : A 7 TYR OH : rot 165:sc= -2.03 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.1) USER MOD Single : A 17 THR OG1 : rot 80:sc= 1.15 USER MOD Single : A 24 GLN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 110:sc= -1.3! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.105 K(o=-0.11,f=-0.71) USER MOD Single : A 61 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.79) USER MOD Single : A 62 SER OG : rot 170:sc= -0.555 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.00047) USER MOD Single : A 89 GLN : amide:sc= -0.0868 K(o=-0.087,f=-1.5!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.0854 K(o=-0.085,f=-1.8!) USER MOD Single : A 103 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.032 2.096 -0.522 1.00 3.44 N ATOM 2 CA GLY A 1 2.309 0.673 -0.590 1.00 0.42 C ATOM 3 C GLY A 1 3.783 0.378 -0.786 1.00 12.12 C ATOM 4 O GLY A 1 4.462 1.059 -1.552 1.00 45.41 O ATOM 0 H1 GLY A 1 1.090 2.286 -0.921 1.00 3.44 H new ATOM 0 H2 GLY A 1 2.057 2.408 0.470 1.00 3.44 H new ATOM 0 H3 GLY A 1 2.750 2.616 -1.066 1.00 3.44 H new ATOM 0 HA2 GLY A 1 1.965 0.195 0.327 1.00 0.42 H new ATOM 0 HA3 GLY A 1 1.742 0.234 -1.411 1.00 0.42 H new ATOM 8 N ASN A 2 4.278 -0.640 -0.090 1.00 24.01 N ATOM 9 CA ASN A 2 5.682 -1.023 -0.190 1.00 2.55 C ATOM 10 C ASN A 2 5.898 -2.006 -1.336 1.00 30.34 C ATOM 11 O ASN A 2 5.728 -3.214 -1.171 1.00 33.22 O ATOM 12 CB ASN A 2 6.158 -1.642 1.126 1.00 61.41 C ATOM 13 CG ASN A 2 6.513 -0.595 2.164 1.00 53.03 C ATOM 14 OD1 ASN A 2 5.741 -0.334 3.087 1.00 25.11 O ATOM 15 ND2 ASN A 2 7.685 0.011 2.016 1.00 51.23 N ATOM 0 H ASN A 2 3.728 -1.214 0.549 1.00 24.01 H new ATOM 0 HA ASN A 2 6.265 -0.124 -0.392 1.00 2.55 H new ATOM 0 HB2 ASN A 2 5.377 -2.292 1.522 1.00 61.41 H new ATOM 0 HB3 ASN A 2 7.028 -2.270 0.935 1.00 61.41 H new ATOM 0 HD21 ASN A 2 7.978 0.725 2.683 1.00 51.23 H new ATOM 0 HD22 ASN A 2 8.293 -0.238 1.235 1.00 51.23 H new ATOM 22 N SER A 3 6.274 -1.480 -2.497 1.00 23.22 N ATOM 23 CA SER A 3 6.511 -2.311 -3.672 1.00 35.24 C ATOM 24 C SER A 3 7.999 -2.377 -4.000 1.00 50.11 C ATOM 25 O SER A 3 8.491 -3.390 -4.495 1.00 63.15 O ATOM 26 CB SER A 3 5.735 -1.766 -4.872 1.00 43.24 C ATOM 27 OG SER A 3 6.037 -0.399 -5.097 1.00 22.54 O ATOM 0 H SER A 3 6.421 -0.482 -2.649 1.00 23.22 H new ATOM 0 HA SER A 3 6.162 -3.319 -3.450 1.00 35.24 H new ATOM 0 HB2 SER A 3 5.980 -2.347 -5.761 1.00 43.24 H new ATOM 0 HB3 SER A 3 4.665 -1.882 -4.700 1.00 43.24 H new ATOM 0 HG SER A 3 6.809 -0.140 -4.551 1.00 22.54 H new ATOM 33 N GLN A 4 8.709 -1.289 -3.720 1.00 51.42 N ATOM 34 CA GLN A 4 10.141 -1.222 -3.986 1.00 51.14 C ATOM 35 C GLN A 4 10.944 -1.524 -2.725 1.00 53.23 C ATOM 36 O GLN A 4 11.059 -0.681 -1.835 1.00 1.00 O ATOM 37 CB GLN A 4 10.517 0.159 -4.526 1.00 51.03 C ATOM 38 CG GLN A 4 10.012 1.307 -3.667 1.00 20.55 C ATOM 39 CD GLN A 4 8.896 2.087 -4.332 1.00 35.12 C ATOM 40 OE1 GLN A 4 7.768 1.605 -4.446 1.00 0.15 O ATOM 41 NE2 GLN A 4 9.204 3.300 -4.776 1.00 33.21 N ATOM 0 H GLN A 4 8.316 -0.442 -3.309 1.00 51.42 H new ATOM 0 HA GLN A 4 10.381 -1.975 -4.736 1.00 51.14 H new ATOM 0 HB2 GLN A 4 11.602 0.226 -4.605 1.00 51.03 H new ATOM 0 HB3 GLN A 4 10.116 0.267 -5.534 1.00 51.03 H new ATOM 0 HG2 GLN A 4 9.657 0.914 -2.714 1.00 20.55 H new ATOM 0 HG3 GLN A 4 10.839 1.981 -3.446 1.00 20.55 H new ATOM 0 HE21 GLN A 4 10.151 3.660 -4.661 1.00 33.21 H new ATOM 0 HE22 GLN A 4 8.493 3.872 -5.232 1.00 33.21 H new ATOM 50 N ILE A 5 11.496 -2.730 -2.656 1.00 72.41 N ATOM 51 CA ILE A 5 12.288 -3.142 -1.504 1.00 62.41 C ATOM 52 C ILE A 5 13.611 -3.764 -1.940 1.00 53.34 C ATOM 53 O ILE A 5 13.676 -4.465 -2.950 1.00 62.33 O ATOM 54 CB ILE A 5 11.524 -4.152 -0.627 1.00 41.03 C ATOM 55 CG1 ILE A 5 10.077 -3.696 -0.430 1.00 31.14 C ATOM 56 CG2 ILE A 5 12.220 -4.321 0.715 1.00 50.00 C ATOM 57 CD1 ILE A 5 9.955 -2.355 0.260 1.00 74.23 C ATOM 0 H ILE A 5 11.410 -3.439 -3.384 1.00 72.41 H new ATOM 0 HA ILE A 5 12.486 -2.243 -0.920 1.00 62.41 H new ATOM 0 HB ILE A 5 11.515 -5.117 -1.133 1.00 41.03 H new ATOM 0 HG12 ILE A 5 9.586 -3.642 -1.402 1.00 31.14 H new ATOM 0 HG13 ILE A 5 9.544 -4.446 0.155 1.00 31.14 H new ATOM 0 HG21 ILE A 5 11.668 -5.038 1.323 1.00 50.00 H new ATOM 0 HG22 ILE A 5 13.235 -4.686 0.555 1.00 50.00 H new ATOM 0 HG23 ILE A 5 12.257 -3.361 1.229 1.00 50.00 H new ATOM 0 HD11 ILE A 5 8.902 -2.095 0.366 1.00 74.23 H new ATOM 0 HD12 ILE A 5 10.416 -2.410 1.246 1.00 74.23 H new ATOM 0 HD13 ILE A 5 10.459 -1.593 -0.334 1.00 74.23 H new ATOM 69 N HIS A 6 14.663 -3.503 -1.171 1.00 41.34 N ATOM 70 CA HIS A 6 15.985 -4.038 -1.477 1.00 31.40 C ATOM 71 C HIS A 6 16.691 -4.499 -0.206 1.00 25.42 C ATOM 72 O HIS A 6 16.464 -3.955 0.875 1.00 44.42 O ATOM 73 CB HIS A 6 16.832 -2.986 -2.192 1.00 42.32 C ATOM 74 CG HIS A 6 16.840 -1.655 -1.505 1.00 30.01 C ATOM 75 ND1 HIS A 6 17.356 -1.464 -0.240 1.00 73.24 N ATOM 76 CD2 HIS A 6 16.393 -0.445 -1.914 1.00 14.33 C ATOM 77 CE1 HIS A 6 17.224 -0.194 0.100 1.00 73.44 C ATOM 78 NE2 HIS A 6 16.642 0.446 -0.899 1.00 25.12 N ATOM 0 H HIS A 6 14.626 -2.925 -0.332 1.00 41.34 H new ATOM 0 HA HIS A 6 15.858 -4.898 -2.134 1.00 31.40 H new ATOM 0 HB2 HIS A 6 17.856 -3.350 -2.273 1.00 42.32 H new ATOM 0 HB3 HIS A 6 16.458 -2.859 -3.208 1.00 42.32 H new ATOM 0 HD1 HIS A 6 17.774 -2.190 0.342 1.00 73.24 H new ATOM 0 HD2 HIS A 6 15.927 -0.222 -2.862 1.00 14.33 H new ATOM 0 HE1 HIS A 6 17.538 0.246 1.035 1.00 73.44 H new ATOM 86 N TYR A 7 17.548 -5.506 -0.342 1.00 54.35 N ATOM 87 CA TYR A 7 18.285 -6.042 0.795 1.00 33.05 C ATOM 88 C TYR A 7 19.789 -5.911 0.581 1.00 45.14 C ATOM 89 O TYR A 7 20.248 -5.632 -0.527 1.00 73.13 O ATOM 90 CB TYR A 7 17.917 -7.509 1.023 1.00 73.24 C ATOM 91 CG TYR A 7 16.435 -7.787 0.904 1.00 22.15 C ATOM 92 CD1 TYR A 7 15.498 -6.875 1.374 1.00 51.14 C ATOM 93 CD2 TYR A 7 15.973 -8.962 0.325 1.00 55.01 C ATOM 94 CE1 TYR A 7 14.143 -7.125 1.268 1.00 2.35 C ATOM 95 CE2 TYR A 7 14.620 -9.219 0.214 1.00 31.52 C ATOM 96 CZ TYR A 7 13.709 -8.298 0.688 1.00 62.04 C ATOM 97 OH TYR A 7 12.361 -8.551 0.581 1.00 71.54 O ATOM 0 H TYR A 7 17.749 -5.967 -1.229 1.00 54.35 H new ATOM 0 HA TYR A 7 18.011 -5.464 1.677 1.00 33.05 H new ATOM 0 HB2 TYR A 7 18.453 -8.126 0.302 1.00 73.24 H new ATOM 0 HB3 TYR A 7 18.256 -7.810 2.014 1.00 73.24 H new ATOM 0 HD1 TYR A 7 15.834 -5.955 1.830 1.00 51.14 H new ATOM 0 HD2 TYR A 7 16.683 -9.687 -0.045 1.00 55.01 H new ATOM 0 HE1 TYR A 7 13.428 -6.405 1.638 1.00 2.35 H new ATOM 0 HE2 TYR A 7 14.277 -10.136 -0.242 1.00 31.52 H new ATOM 0 HH TYR A 7 12.215 -9.285 -0.052 1.00 71.54 H new ATOM 107 N SER A 8 20.553 -6.115 1.649 1.00 2.22 N ATOM 108 CA SER A 8 22.006 -6.017 1.580 1.00 4.42 C ATOM 109 C SER A 8 22.663 -7.273 2.145 1.00 42.42 C ATOM 110 O SER A 8 22.372 -7.687 3.267 1.00 20.40 O ATOM 111 CB SER A 8 22.492 -4.785 2.346 1.00 4.24 C ATOM 112 OG SER A 8 21.428 -3.881 2.586 1.00 10.34 O ATOM 0 H SER A 8 20.190 -6.349 2.573 1.00 2.22 H new ATOM 0 HA SER A 8 22.289 -5.920 0.532 1.00 4.42 H new ATOM 0 HB2 SER A 8 22.932 -5.093 3.294 1.00 4.24 H new ATOM 0 HB3 SER A 8 23.276 -4.285 1.777 1.00 4.24 H new ATOM 0 HG SER A 8 21.764 -3.103 3.078 1.00 10.34 H new ATOM 118 N ILE A 9 23.550 -7.873 1.359 1.00 44.13 N ATOM 119 CA ILE A 9 24.250 -9.081 1.780 1.00 54.43 C ATOM 120 C ILE A 9 25.674 -9.109 1.236 1.00 50.02 C ATOM 121 O ILE A 9 25.912 -8.933 0.041 1.00 63.12 O ATOM 122 CB ILE A 9 23.510 -10.350 1.317 1.00 40.30 C ATOM 123 CG1 ILE A 9 24.381 -11.587 1.548 1.00 53.52 C ATOM 124 CG2 ILE A 9 23.125 -10.233 -0.150 1.00 54.21 C ATOM 125 CD1 ILE A 9 23.669 -12.889 1.256 1.00 64.23 C ATOM 0 H ILE A 9 23.801 -7.543 0.427 1.00 44.13 H new ATOM 0 HA ILE A 9 24.280 -9.065 2.869 1.00 54.43 H new ATOM 0 HB ILE A 9 22.598 -10.456 1.904 1.00 40.30 H new ATOM 0 HG12 ILE A 9 25.269 -11.519 0.920 1.00 53.52 H new ATOM 0 HG13 ILE A 9 24.723 -11.593 2.583 1.00 53.52 H new ATOM 0 HG21 ILE A 9 22.603 -11.137 -0.462 1.00 54.21 H new ATOM 0 HG22 ILE A 9 22.472 -9.371 -0.287 1.00 54.21 H new ATOM 0 HG23 ILE A 9 24.024 -10.106 -0.753 1.00 54.21 H new ATOM 0 HD11 ILE A 9 24.346 -13.723 1.441 1.00 64.23 H new ATOM 0 HD12 ILE A 9 22.796 -12.979 1.903 1.00 64.23 H new ATOM 0 HD13 ILE A 9 23.351 -12.904 0.213 1.00 64.23 H new ATOM 137 N PRO A 10 26.645 -9.337 2.132 1.00 22.53 N ATOM 138 CA PRO A 10 28.063 -9.397 1.765 1.00 22.13 C ATOM 139 C PRO A 10 28.397 -10.636 0.942 1.00 62.14 C ATOM 140 O PRO A 10 27.956 -11.740 1.259 1.00 64.21 O ATOM 141 CB PRO A 10 28.778 -9.446 3.118 1.00 11.40 C ATOM 142 CG PRO A 10 27.777 -10.030 4.054 1.00 2.35 C ATOM 143 CD PRO A 10 26.434 -9.556 3.573 1.00 12.21 C ATOM 0 HA PRO A 10 28.358 -8.553 1.141 1.00 22.13 H new ATOM 0 HB2 PRO A 10 29.678 -10.059 3.068 1.00 11.40 H new ATOM 0 HB3 PRO A 10 29.087 -8.451 3.439 1.00 11.40 H new ATOM 0 HG2 PRO A 10 27.830 -11.119 4.052 1.00 2.35 H new ATOM 0 HG3 PRO A 10 27.963 -9.703 5.077 1.00 2.35 H new ATOM 0 HD2 PRO A 10 25.657 -10.298 3.757 1.00 12.21 H new ATOM 0 HD3 PRO A 10 26.127 -8.640 4.078 1.00 12.21 H new ATOM 151 N GLU A 11 29.179 -10.445 -0.117 1.00 12.34 N ATOM 152 CA GLU A 11 29.571 -11.548 -0.985 1.00 71.24 C ATOM 153 C GLU A 11 30.093 -12.726 -0.167 1.00 52.22 C ATOM 154 O GLU A 11 30.524 -12.559 0.973 1.00 20.21 O ATOM 155 CB GLU A 11 30.640 -11.089 -1.979 1.00 25.23 C ATOM 156 CG GLU A 11 30.095 -10.786 -3.364 1.00 14.11 C ATOM 157 CD GLU A 11 30.992 -11.305 -4.471 1.00 13.21 C ATOM 158 OE1 GLU A 11 32.228 -11.221 -4.322 1.00 5.44 O ATOM 159 OE2 GLU A 11 30.456 -11.795 -5.487 1.00 31.42 O ATOM 0 H GLU A 11 29.553 -9.537 -0.393 1.00 12.34 H new ATOM 0 HA GLU A 11 28.689 -11.874 -1.536 1.00 71.24 H new ATOM 0 HB2 GLU A 11 31.129 -10.197 -1.587 1.00 25.23 H new ATOM 0 HB3 GLU A 11 31.404 -11.862 -2.060 1.00 25.23 H new ATOM 0 HG2 GLU A 11 29.105 -11.230 -3.466 1.00 14.11 H new ATOM 0 HG3 GLU A 11 29.974 -9.708 -3.475 1.00 14.11 H new ATOM 166 N GLU A 12 30.049 -13.915 -0.759 1.00 22.52 N ATOM 167 CA GLU A 12 30.516 -15.121 -0.084 1.00 43.12 C ATOM 168 C GLU A 12 29.661 -15.424 1.143 1.00 4.50 C ATOM 169 O GLU A 12 30.172 -15.850 2.178 1.00 10.44 O ATOM 170 CB GLU A 12 31.982 -14.966 0.327 1.00 30.51 C ATOM 171 CG GLU A 12 32.785 -16.252 0.214 1.00 54.42 C ATOM 172 CD GLU A 12 34.253 -15.999 -0.066 1.00 64.41 C ATOM 173 OE1 GLU A 12 34.808 -15.032 0.496 1.00 15.12 O ATOM 174 OE2 GLU A 12 34.849 -16.770 -0.848 1.00 33.43 O ATOM 0 H GLU A 12 29.695 -14.069 -1.703 1.00 22.52 H new ATOM 0 HA GLU A 12 30.427 -15.954 -0.781 1.00 43.12 H new ATOM 0 HB2 GLU A 12 32.446 -14.202 -0.296 1.00 30.51 H new ATOM 0 HB3 GLU A 12 32.026 -14.609 1.356 1.00 30.51 H new ATOM 0 HG2 GLU A 12 32.688 -16.819 1.140 1.00 54.42 H new ATOM 0 HG3 GLU A 12 32.368 -16.868 -0.583 1.00 54.42 H new ATOM 181 N ALA A 13 28.357 -15.199 1.018 1.00 24.33 N ATOM 182 CA ALA A 13 27.431 -15.449 2.116 1.00 50.14 C ATOM 183 C ALA A 13 26.916 -16.884 2.084 1.00 42.12 C ATOM 184 O ALA A 13 26.017 -17.215 1.311 1.00 61.24 O ATOM 185 CB ALA A 13 26.269 -14.468 2.059 1.00 3.00 C ATOM 0 H ALA A 13 27.918 -14.844 0.168 1.00 24.33 H new ATOM 0 HA ALA A 13 27.969 -15.305 3.053 1.00 50.14 H new ATOM 0 HB1 ALA A 13 25.585 -14.666 2.884 1.00 3.00 H new ATOM 0 HB2 ALA A 13 26.649 -13.449 2.138 1.00 3.00 H new ATOM 0 HB3 ALA A 13 25.740 -14.585 1.113 1.00 3.00 H new ATOM 191 N LYS A 14 27.492 -17.733 2.928 1.00 20.01 N ATOM 192 CA LYS A 14 27.092 -19.133 2.998 1.00 73.32 C ATOM 193 C LYS A 14 25.582 -19.259 3.176 1.00 60.32 C ATOM 194 O LYS A 14 24.934 -18.364 3.718 1.00 12.32 O ATOM 195 CB LYS A 14 27.812 -19.834 4.152 1.00 62.33 C ATOM 196 CG LYS A 14 28.475 -21.141 3.751 1.00 42.32 C ATOM 197 CD LYS A 14 29.921 -21.198 4.215 1.00 12.12 C ATOM 198 CE LYS A 14 30.885 -20.918 3.072 1.00 32.24 C ATOM 199 NZ LYS A 14 31.297 -19.488 3.032 1.00 5.14 N ATOM 0 H LYS A 14 28.238 -17.475 3.574 1.00 20.01 H new ATOM 0 HA LYS A 14 27.371 -19.612 2.059 1.00 73.32 H new ATOM 0 HB2 LYS A 14 28.568 -19.163 4.559 1.00 62.33 H new ATOM 0 HB3 LYS A 14 27.096 -20.029 4.951 1.00 62.33 H new ATOM 0 HG2 LYS A 14 27.921 -21.977 4.179 1.00 42.32 H new ATOM 0 HG3 LYS A 14 28.435 -21.253 2.668 1.00 42.32 H new ATOM 0 HD2 LYS A 14 30.078 -20.470 5.011 1.00 12.12 H new ATOM 0 HD3 LYS A 14 30.130 -22.181 4.636 1.00 12.12 H new ATOM 0 HE2 LYS A 14 31.768 -21.548 3.179 1.00 32.24 H new ATOM 0 HE3 LYS A 14 30.415 -21.187 2.126 1.00 32.24 H new ATOM 0 HZ1 LYS A 14 31.954 -19.338 2.240 1.00 5.14 H new ATOM 0 HZ2 LYS A 14 30.457 -18.888 2.904 1.00 5.14 H new ATOM 0 HZ3 LYS A 14 31.769 -19.237 3.924 1.00 5.14 H new ATOM 213 N HIS A 15 25.028 -20.377 2.717 1.00 32.11 N ATOM 214 CA HIS A 15 23.594 -20.621 2.828 1.00 50.10 C ATOM 215 C HIS A 15 23.119 -20.422 4.264 1.00 34.30 C ATOM 216 O HIS A 15 23.640 -21.040 5.192 1.00 55.31 O ATOM 217 CB HIS A 15 23.258 -22.037 2.358 1.00 2.35 C ATOM 218 CG HIS A 15 23.714 -22.329 0.962 1.00 2.40 C ATOM 219 ND1 HIS A 15 23.839 -23.608 0.463 1.00 53.01 N ATOM 220 CD2 HIS A 15 24.075 -21.497 -0.043 1.00 71.45 C ATOM 221 CE1 HIS A 15 24.258 -23.551 -0.789 1.00 31.24 C ATOM 222 NE2 HIS A 15 24.408 -22.282 -1.120 1.00 45.43 N ATOM 0 H HIS A 15 25.550 -21.128 2.265 1.00 32.11 H new ATOM 0 HA HIS A 15 23.078 -19.903 2.191 1.00 50.10 H new ATOM 0 HB2 HIS A 15 23.716 -22.755 3.039 1.00 2.35 H new ATOM 0 HB3 HIS A 15 22.180 -22.184 2.417 1.00 2.35 H new ATOM 0 HD2 HIS A 15 24.097 -20.418 -0.005 1.00 71.45 H new ATOM 0 HE1 HIS A 15 24.446 -24.398 -1.432 1.00 31.24 H new ATOM 0 HE2 HIS A 15 24.721 -21.940 -2.029 1.00 45.43 H new ATOM 230 N GLY A 16 22.126 -19.555 4.439 1.00 32.24 N ATOM 231 CA GLY A 16 21.598 -19.290 5.765 1.00 72.21 C ATOM 232 C GLY A 16 22.061 -17.957 6.317 1.00 12.25 C ATOM 233 O GLY A 16 21.822 -17.642 7.484 1.00 72.11 O ATOM 0 H GLY A 16 21.678 -19.032 3.687 1.00 32.24 H new ATOM 0 HA2 GLY A 16 20.509 -19.306 5.729 1.00 72.21 H new ATOM 0 HA3 GLY A 16 21.907 -20.087 6.442 1.00 72.21 H new ATOM 237 N THR A 17 22.728 -17.170 5.479 1.00 53.31 N ATOM 238 CA THR A 17 23.228 -15.864 5.890 1.00 21.24 C ATOM 239 C THR A 17 22.157 -14.791 5.735 1.00 50.23 C ATOM 240 O THR A 17 21.432 -14.763 4.740 1.00 13.02 O ATOM 241 CB THR A 17 24.470 -15.456 5.076 1.00 71.14 C ATOM 242 OG1 THR A 17 25.529 -16.396 5.292 1.00 15.35 O ATOM 243 CG2 THR A 17 24.936 -14.061 5.462 1.00 4.24 C ATOM 0 H THR A 17 22.935 -17.415 4.511 1.00 53.31 H new ATOM 0 HA THR A 17 23.504 -15.948 6.941 1.00 21.24 H new ATOM 0 HB THR A 17 24.199 -15.452 4.020 1.00 71.14 H new ATOM 0 HG1 THR A 17 25.376 -17.193 4.742 1.00 15.35 H new ATOM 0 HG21 THR A 17 25.814 -13.795 4.874 1.00 4.24 H new ATOM 0 HG22 THR A 17 24.138 -13.344 5.267 1.00 4.24 H new ATOM 0 HG23 THR A 17 25.190 -14.042 6.522 1.00 4.24 H new ATOM 251 N PHE A 18 22.063 -13.907 6.723 1.00 30.51 N ATOM 252 CA PHE A 18 21.079 -12.831 6.696 1.00 64.24 C ATOM 253 C PHE A 18 21.187 -12.029 5.402 1.00 74.42 C ATOM 254 O PHE A 18 22.284 -11.771 4.907 1.00 1.25 O ATOM 255 CB PHE A 18 21.271 -11.906 7.899 1.00 35.24 C ATOM 256 CG PHE A 18 20.317 -10.746 7.921 1.00 33.13 C ATOM 257 CD1 PHE A 18 20.573 -9.607 7.175 1.00 61.21 C ATOM 258 CD2 PHE A 18 19.164 -10.795 8.688 1.00 55.32 C ATOM 259 CE1 PHE A 18 19.697 -8.538 7.194 1.00 25.11 C ATOM 260 CE2 PHE A 18 18.284 -9.729 8.711 1.00 51.35 C ATOM 261 CZ PHE A 18 18.551 -8.599 7.962 1.00 72.42 C ATOM 0 H PHE A 18 22.657 -13.915 7.553 1.00 30.51 H new ATOM 0 HA PHE A 18 20.086 -13.278 6.745 1.00 64.24 H new ATOM 0 HB2 PHE A 18 21.149 -12.484 8.815 1.00 35.24 H new ATOM 0 HB3 PHE A 18 22.293 -11.526 7.896 1.00 35.24 H new ATOM 0 HD1 PHE A 18 21.467 -9.554 6.572 1.00 61.21 H new ATOM 0 HD2 PHE A 18 18.950 -11.676 9.275 1.00 55.32 H new ATOM 0 HE1 PHE A 18 19.909 -7.656 6.609 1.00 25.11 H new ATOM 0 HE2 PHE A 18 17.389 -9.779 9.314 1.00 51.35 H new ATOM 0 HZ PHE A 18 17.865 -7.765 7.977 1.00 72.42 H new ATOM 271 N VAL A 19 20.038 -11.639 4.858 1.00 44.04 N ATOM 272 CA VAL A 19 20.002 -10.866 3.622 1.00 73.33 C ATOM 273 C VAL A 19 19.309 -9.525 3.833 1.00 42.42 C ATOM 274 O VAL A 19 19.853 -8.474 3.497 1.00 4.41 O ATOM 275 CB VAL A 19 19.277 -11.635 2.501 1.00 42.24 C ATOM 276 CG1 VAL A 19 19.232 -10.805 1.227 1.00 50.41 C ATOM 277 CG2 VAL A 19 19.954 -12.974 2.250 1.00 33.12 C ATOM 0 H VAL A 19 19.121 -11.846 5.254 1.00 44.04 H new ATOM 0 HA VAL A 19 21.037 -10.694 3.325 1.00 73.33 H new ATOM 0 HB VAL A 19 18.252 -11.825 2.819 1.00 42.24 H new ATOM 0 HG11 VAL A 19 18.716 -11.364 0.446 1.00 50.41 H new ATOM 0 HG12 VAL A 19 18.699 -9.873 1.418 1.00 50.41 H new ATOM 0 HG13 VAL A 19 20.248 -10.582 0.902 1.00 50.41 H new ATOM 0 HG21 VAL A 19 19.429 -13.504 1.455 1.00 33.12 H new ATOM 0 HG22 VAL A 19 20.990 -12.808 1.953 1.00 33.12 H new ATOM 0 HG23 VAL A 19 19.929 -13.571 3.162 1.00 33.12 H new ATOM 287 N GLY A 20 18.104 -9.568 4.393 1.00 72.44 N ATOM 288 CA GLY A 20 17.356 -8.349 4.640 1.00 70.55 C ATOM 289 C GLY A 20 16.038 -8.610 5.341 1.00 73.12 C ATOM 290 O GLY A 20 15.851 -9.660 5.956 1.00 2.01 O ATOM 0 H GLY A 20 17.632 -10.426 4.680 1.00 72.44 H new ATOM 0 HA2 GLY A 20 17.959 -7.673 5.246 1.00 70.55 H new ATOM 0 HA3 GLY A 20 17.166 -7.844 3.693 1.00 70.55 H new ATOM 294 N ARG A 21 15.121 -7.652 5.250 1.00 42.12 N ATOM 295 CA ARG A 21 13.815 -7.782 5.883 1.00 14.13 C ATOM 296 C ARG A 21 12.698 -7.716 4.845 1.00 2.52 C ATOM 297 O ARG A 21 12.200 -6.636 4.523 1.00 31.45 O ATOM 298 CB ARG A 21 13.619 -6.682 6.929 1.00 63.32 C ATOM 299 CG ARG A 21 14.395 -5.411 6.627 1.00 3.44 C ATOM 300 CD ARG A 21 15.787 -5.449 7.239 1.00 20.01 C ATOM 301 NE ARG A 21 16.248 -4.121 7.634 1.00 42.20 N ATOM 302 CZ ARG A 21 17.237 -3.912 8.496 1.00 30.42 C ATOM 303 NH1 ARG A 21 17.865 -4.940 9.050 1.00 24.03 N ATOM 304 NH2 ARG A 21 17.599 -2.674 8.805 1.00 4.13 N ATOM 0 H ARG A 21 15.259 -6.777 4.744 1.00 42.12 H new ATOM 0 HA ARG A 21 13.773 -8.754 6.375 1.00 14.13 H new ATOM 0 HB2 ARG A 21 12.558 -6.442 6.998 1.00 63.32 H new ATOM 0 HB3 ARG A 21 13.924 -7.061 7.904 1.00 63.32 H new ATOM 0 HG2 ARG A 21 14.474 -5.280 5.548 1.00 3.44 H new ATOM 0 HG3 ARG A 21 13.850 -4.550 7.014 1.00 3.44 H new ATOM 0 HD2 ARG A 21 15.782 -6.105 8.110 1.00 20.01 H new ATOM 0 HD3 ARG A 21 16.487 -5.877 6.521 1.00 20.01 H new ATOM 0 HE ARG A 21 15.785 -3.309 7.226 1.00 42.20 H new ATOM 0 HH11 ARG A 21 17.589 -5.893 8.815 1.00 24.03 H new ATOM 0 HH12 ARG A 21 18.624 -4.778 9.712 1.00 24.03 H new ATOM 0 HH21 ARG A 21 17.118 -1.881 8.381 1.00 4.13 H new ATOM 0 HH22 ARG A 21 18.359 -2.515 9.467 1.00 4.13 H new ATOM 318 N ILE A 22 12.311 -8.875 4.325 1.00 23.41 N ATOM 319 CA ILE A 22 11.254 -8.949 3.324 1.00 0.44 C ATOM 320 C ILE A 22 9.882 -8.741 3.958 1.00 44.03 C ATOM 321 O ILE A 22 9.042 -8.020 3.420 1.00 21.33 O ATOM 322 CB ILE A 22 11.268 -10.302 2.589 1.00 52.53 C ATOM 323 CG1 ILE A 22 10.155 -10.347 1.539 1.00 24.41 C ATOM 324 CG2 ILE A 22 11.115 -11.445 3.580 1.00 25.23 C ATOM 325 CD1 ILE A 22 10.233 -11.553 0.628 1.00 5.42 C ATOM 0 H ILE A 22 12.714 -9.777 4.580 1.00 23.41 H new ATOM 0 HA ILE A 22 11.444 -8.153 2.604 1.00 0.44 H new ATOM 0 HB ILE A 22 12.226 -10.414 2.082 1.00 52.53 H new ATOM 0 HG12 ILE A 22 9.189 -10.345 2.044 1.00 24.41 H new ATOM 0 HG13 ILE A 22 10.200 -9.441 0.934 1.00 24.41 H new ATOM 0 HG21 ILE A 22 11.127 -12.395 3.045 1.00 25.23 H new ATOM 0 HG22 ILE A 22 11.938 -11.420 4.294 1.00 25.23 H new ATOM 0 HG23 ILE A 22 10.170 -11.341 4.113 1.00 25.23 H new ATOM 0 HD11 ILE A 22 9.414 -11.520 -0.091 1.00 5.42 H new ATOM 0 HD12 ILE A 22 11.184 -11.546 0.095 1.00 5.42 H new ATOM 0 HD13 ILE A 22 10.157 -12.464 1.222 1.00 5.42 H new ATOM 337 N ALA A 23 9.664 -9.376 5.104 1.00 31.43 N ATOM 338 CA ALA A 23 8.396 -9.258 5.813 1.00 31.44 C ATOM 339 C ALA A 23 8.238 -7.872 6.429 1.00 71.04 C ATOM 340 O ALA A 23 7.209 -7.220 6.254 1.00 43.44 O ATOM 341 CB ALA A 23 8.291 -10.330 6.888 1.00 34.04 C ATOM 0 H ALA A 23 10.349 -9.978 5.562 1.00 31.43 H new ATOM 0 HA ALA A 23 7.591 -9.401 5.092 1.00 31.44 H new ATOM 0 HB1 ALA A 23 7.339 -10.230 7.410 1.00 34.04 H new ATOM 0 HB2 ALA A 23 8.350 -11.316 6.426 1.00 34.04 H new ATOM 0 HB3 ALA A 23 9.109 -10.213 7.599 1.00 34.04 H new ATOM 347 N GLN A 24 9.263 -7.429 7.150 1.00 70.34 N ATOM 348 CA GLN A 24 9.236 -6.120 7.792 1.00 71.53 C ATOM 349 C GLN A 24 8.919 -5.024 6.780 1.00 62.21 C ATOM 350 O GLN A 24 8.045 -4.188 7.009 1.00 4.23 O ATOM 351 CB GLN A 24 10.577 -5.834 8.469 1.00 10.43 C ATOM 352 CG GLN A 24 10.440 -5.279 9.878 1.00 5.20 C ATOM 353 CD GLN A 24 10.802 -6.295 10.943 1.00 34.41 C ATOM 354 OE1 GLN A 24 9.945 -6.742 11.707 1.00 4.34 O ATOM 355 NE2 GLN A 24 12.075 -6.668 10.999 1.00 10.41 N ATOM 0 H GLN A 24 10.122 -7.957 7.304 1.00 70.34 H new ATOM 0 HA GLN A 24 8.450 -6.129 8.547 1.00 71.53 H new ATOM 0 HB2 GLN A 24 11.160 -6.754 8.505 1.00 10.43 H new ATOM 0 HB3 GLN A 24 11.138 -5.124 7.861 1.00 10.43 H new ATOM 0 HG2 GLN A 24 11.081 -4.404 9.984 1.00 5.20 H new ATOM 0 HG3 GLN A 24 9.415 -4.944 10.034 1.00 5.20 H new ATOM 0 HE21 GLN A 24 12.752 -6.272 10.346 1.00 10.41 H new ATOM 0 HE22 GLN A 24 12.376 -7.350 11.695 1.00 10.41 H new ATOM 364 N ASP A 25 9.635 -5.034 5.661 1.00 70.21 N ATOM 365 CA ASP A 25 9.430 -4.041 4.613 1.00 12.10 C ATOM 366 C ASP A 25 8.102 -4.271 3.898 1.00 30.43 C ATOM 367 O ASP A 25 7.655 -3.436 3.111 1.00 1.11 O ATOM 368 CB ASP A 25 10.580 -4.086 3.606 1.00 51.22 C ATOM 369 CG ASP A 25 11.874 -3.543 4.180 1.00 31.41 C ATOM 370 OD1 ASP A 25 11.809 -2.625 5.023 1.00 2.32 O ATOM 371 OD2 ASP A 25 12.951 -4.037 3.786 1.00 44.02 O ATOM 0 H ASP A 25 10.363 -5.719 5.456 1.00 70.21 H new ATOM 0 HA ASP A 25 9.405 -3.056 5.080 1.00 12.10 H new ATOM 0 HB2 ASP A 25 10.734 -5.115 3.280 1.00 51.22 H new ATOM 0 HB3 ASP A 25 10.308 -3.509 2.722 1.00 51.22 H new ATOM 376 N LEU A 26 7.476 -5.410 4.176 1.00 2.33 N ATOM 377 CA LEU A 26 6.199 -5.751 3.559 1.00 22.33 C ATOM 378 C LEU A 26 5.035 -5.196 4.374 1.00 61.33 C ATOM 379 O LEU A 26 4.048 -4.717 3.818 1.00 40.23 O ATOM 380 CB LEU A 26 6.065 -7.269 3.425 1.00 30.24 C ATOM 381 CG LEU A 26 6.086 -7.822 2.000 1.00 54.33 C ATOM 382 CD1 LEU A 26 7.249 -7.234 1.216 1.00 10.13 C ATOM 383 CD2 LEU A 26 6.166 -9.341 2.018 1.00 72.23 C ATOM 0 H LEU A 26 7.832 -6.112 4.824 1.00 2.33 H new ATOM 0 HA LEU A 26 6.171 -5.301 2.567 1.00 22.33 H new ATOM 0 HB2 LEU A 26 6.874 -7.736 3.986 1.00 30.24 H new ATOM 0 HB3 LEU A 26 5.132 -7.574 3.898 1.00 30.24 H new ATOM 0 HG LEU A 26 5.159 -7.533 1.505 1.00 54.33 H new ATOM 0 HD11 LEU A 26 7.248 -7.639 0.204 1.00 10.13 H new ATOM 0 HD12 LEU A 26 7.147 -6.150 1.173 1.00 10.13 H new ATOM 0 HD13 LEU A 26 8.187 -7.491 1.709 1.00 10.13 H new ATOM 0 HD21 LEU A 26 6.180 -9.717 0.995 1.00 72.23 H new ATOM 0 HD22 LEU A 26 7.076 -9.651 2.531 1.00 72.23 H new ATOM 0 HD23 LEU A 26 5.299 -9.745 2.541 1.00 72.23 H new ATOM 395 N GLY A 27 5.159 -5.263 5.696 1.00 63.21 N ATOM 396 CA GLY A 27 4.111 -4.762 6.566 1.00 44.23 C ATOM 397 C GLY A 27 3.007 -5.776 6.788 1.00 63.42 C ATOM 398 O GLY A 27 1.952 -5.448 7.331 1.00 54.44 O ATOM 0 H GLY A 27 5.967 -5.655 6.180 1.00 63.21 H new ATOM 0 HA2 GLY A 27 4.543 -4.484 7.527 1.00 44.23 H new ATOM 0 HA3 GLY A 27 3.686 -3.856 6.133 1.00 44.23 H new ATOM 402 N LEU A 28 3.249 -7.013 6.366 1.00 12.22 N ATOM 403 CA LEU A 28 2.266 -8.079 6.520 1.00 34.43 C ATOM 404 C LEU A 28 2.393 -8.744 7.887 1.00 23.41 C ATOM 405 O LEU A 28 3.166 -8.299 8.735 1.00 41.55 O ATOM 406 CB LEU A 28 2.438 -9.123 5.415 1.00 42.41 C ATOM 407 CG LEU A 28 2.551 -8.579 3.990 1.00 11.53 C ATOM 408 CD1 LEU A 28 3.173 -9.617 3.070 1.00 22.10 C ATOM 409 CD2 LEU A 28 1.185 -8.154 3.472 1.00 73.02 C ATOM 0 H LEU A 28 4.117 -7.302 5.915 1.00 12.22 H new ATOM 0 HA LEU A 28 1.273 -7.637 6.442 1.00 34.43 H new ATOM 0 HB2 LEU A 28 3.332 -9.708 5.631 1.00 42.41 H new ATOM 0 HB3 LEU A 28 1.591 -9.808 5.455 1.00 42.41 H new ATOM 0 HG LEU A 28 3.200 -7.703 4.006 1.00 11.53 H new ATOM 0 HD11 LEU A 28 3.245 -9.212 2.061 1.00 22.10 H new ATOM 0 HD12 LEU A 28 4.169 -9.872 3.431 1.00 22.10 H new ATOM 0 HD13 LEU A 28 2.551 -10.512 3.058 1.00 22.10 H new ATOM 0 HD21 LEU A 28 1.284 -7.769 2.457 1.00 73.02 H new ATOM 0 HD22 LEU A 28 0.513 -9.012 3.471 1.00 73.02 H new ATOM 0 HD23 LEU A 28 0.778 -7.375 4.117 1.00 73.02 H new ATOM 421 N GLU A 29 1.631 -9.814 8.093 1.00 63.23 N ATOM 422 CA GLU A 29 1.661 -10.541 9.356 1.00 0.15 C ATOM 423 C GLU A 29 2.558 -11.772 9.255 1.00 13.44 C ATOM 424 O GLU A 29 2.330 -12.654 8.426 1.00 14.34 O ATOM 425 CB GLU A 29 0.246 -10.959 9.763 1.00 25.03 C ATOM 426 CG GLU A 29 -0.376 -10.057 10.816 1.00 24.32 C ATOM 427 CD GLU A 29 -1.507 -10.732 11.567 1.00 1.04 C ATOM 428 OE1 GLU A 29 -1.268 -11.805 12.160 1.00 62.21 O ATOM 429 OE2 GLU A 29 -2.631 -10.188 11.563 1.00 44.42 O ATOM 0 H GLU A 29 0.986 -10.196 7.401 1.00 63.23 H new ATOM 0 HA GLU A 29 2.070 -9.877 10.118 1.00 0.15 H new ATOM 0 HB2 GLU A 29 -0.391 -10.964 8.878 1.00 25.03 H new ATOM 0 HB3 GLU A 29 0.273 -11.981 10.142 1.00 25.03 H new ATOM 0 HG2 GLU A 29 0.393 -9.748 11.525 1.00 24.32 H new ATOM 0 HG3 GLU A 29 -0.751 -9.152 10.338 1.00 24.32 H new ATOM 436 N LEU A 30 3.578 -11.824 10.104 1.00 3.30 N ATOM 437 CA LEU A 30 4.511 -12.946 10.111 1.00 11.52 C ATOM 438 C LEU A 30 3.783 -14.257 10.388 1.00 10.04 C ATOM 439 O LEU A 30 4.221 -15.326 9.962 1.00 45.11 O ATOM 440 CB LEU A 30 5.600 -12.722 11.161 1.00 4.14 C ATOM 441 CG LEU A 30 7.041 -12.752 10.651 1.00 63.53 C ATOM 442 CD1 LEU A 30 7.310 -14.040 9.887 1.00 54.45 C ATOM 443 CD2 LEU A 30 7.322 -11.541 9.774 1.00 42.02 C ATOM 0 H LEU A 30 3.780 -11.103 10.796 1.00 3.30 H new ATOM 0 HA LEU A 30 4.973 -13.010 9.126 1.00 11.52 H new ATOM 0 HB2 LEU A 30 5.424 -11.757 11.637 1.00 4.14 H new ATOM 0 HB3 LEU A 30 5.493 -13.483 11.934 1.00 4.14 H new ATOM 0 HG LEU A 30 7.711 -12.716 11.510 1.00 63.53 H new ATOM 0 HD11 LEU A 30 8.340 -14.044 9.532 1.00 54.45 H new ATOM 0 HD12 LEU A 30 7.150 -14.894 10.545 1.00 54.45 H new ATOM 0 HD13 LEU A 30 6.632 -14.106 9.036 1.00 54.45 H new ATOM 0 HD21 LEU A 30 8.352 -11.579 9.420 1.00 42.02 H new ATOM 0 HD22 LEU A 30 6.645 -11.545 8.920 1.00 42.02 H new ATOM 0 HD23 LEU A 30 7.171 -10.630 10.353 1.00 42.02 H new ATOM 455 N THR A 31 2.666 -14.168 11.104 1.00 22.34 N ATOM 456 CA THR A 31 1.876 -15.347 11.438 1.00 44.13 C ATOM 457 C THR A 31 0.743 -15.550 10.439 1.00 51.32 C ATOM 458 O THR A 31 -0.067 -16.465 10.583 1.00 1.34 O ATOM 459 CB THR A 31 1.284 -15.243 12.856 1.00 74.34 C ATOM 460 OG1 THR A 31 2.238 -14.652 13.744 1.00 44.22 O ATOM 461 CG2 THR A 31 0.882 -16.615 13.376 1.00 75.24 C ATOM 0 H THR A 31 2.288 -13.292 11.464 1.00 22.34 H new ATOM 0 HA THR A 31 2.550 -16.202 11.396 1.00 44.13 H new ATOM 0 HB THR A 31 0.395 -14.614 12.809 1.00 74.34 H new ATOM 0 HG1 THR A 31 1.853 -14.588 14.643 1.00 44.22 H new ATOM 0 HG21 THR A 31 0.467 -16.517 14.379 1.00 75.24 H new ATOM 0 HG22 THR A 31 0.133 -17.050 12.714 1.00 75.24 H new ATOM 0 HG23 THR A 31 1.758 -17.263 13.408 1.00 75.24 H new ATOM 469 N GLU A 32 0.692 -14.691 9.426 1.00 43.44 N ATOM 470 CA GLU A 32 -0.343 -14.777 8.403 1.00 54.12 C ATOM 471 C GLU A 32 0.260 -15.125 7.045 1.00 4.41 C ATOM 472 O GLU A 32 -0.440 -15.163 6.033 1.00 53.03 O ATOM 473 CB GLU A 32 -1.110 -13.456 8.309 1.00 31.00 C ATOM 474 CG GLU A 32 -2.457 -13.582 7.618 1.00 35.11 C ATOM 475 CD GLU A 32 -3.368 -14.589 8.294 1.00 0.44 C ATOM 476 OE1 GLU A 32 -3.103 -14.937 9.464 1.00 72.23 O ATOM 477 OE2 GLU A 32 -4.346 -15.027 7.653 1.00 21.43 O ATOM 0 H GLU A 32 1.355 -13.928 9.292 1.00 43.44 H new ATOM 0 HA GLU A 32 -1.034 -15.571 8.688 1.00 54.12 H new ATOM 0 HB2 GLU A 32 -1.262 -13.062 9.314 1.00 31.00 H new ATOM 0 HB3 GLU A 32 -0.501 -12.730 7.770 1.00 31.00 H new ATOM 0 HG2 GLU A 32 -2.946 -12.608 7.603 1.00 35.11 H new ATOM 0 HG3 GLU A 32 -2.302 -13.877 6.580 1.00 35.11 H new ATOM 484 N LEU A 33 1.565 -15.377 7.031 1.00 14.45 N ATOM 485 CA LEU A 33 2.264 -15.721 5.799 1.00 45.24 C ATOM 486 C LEU A 33 1.797 -17.072 5.266 1.00 4.32 C ATOM 487 O LEU A 33 1.577 -17.235 4.066 1.00 22.31 O ATOM 488 CB LEU A 33 3.775 -15.749 6.037 1.00 2.53 C ATOM 489 CG LEU A 33 4.444 -14.392 6.262 1.00 22.14 C ATOM 490 CD1 LEU A 33 5.663 -14.540 7.159 1.00 24.42 C ATOM 491 CD2 LEU A 33 4.831 -13.761 4.933 1.00 65.33 C ATOM 0 H LEU A 33 2.159 -15.349 7.859 1.00 14.45 H new ATOM 0 HA LEU A 33 2.033 -14.958 5.055 1.00 45.24 H new ATOM 0 HB2 LEU A 33 3.974 -16.378 6.904 1.00 2.53 H new ATOM 0 HB3 LEU A 33 4.249 -16.228 5.180 1.00 2.53 H new ATOM 0 HG LEU A 33 3.730 -13.735 6.759 1.00 22.14 H new ATOM 0 HD11 LEU A 33 6.126 -13.564 7.308 1.00 24.42 H new ATOM 0 HD12 LEU A 33 5.358 -14.948 8.123 1.00 24.42 H new ATOM 0 HD13 LEU A 33 6.380 -15.214 6.690 1.00 24.42 H new ATOM 0 HD21 LEU A 33 5.306 -12.796 5.113 1.00 65.33 H new ATOM 0 HD22 LEU A 33 5.527 -14.416 4.408 1.00 65.33 H new ATOM 0 HD23 LEU A 33 3.938 -13.618 4.324 1.00 65.33 H new ATOM 503 N VAL A 34 1.646 -18.037 6.167 1.00 21.04 N ATOM 504 CA VAL A 34 1.202 -19.373 5.789 1.00 34.12 C ATOM 505 C VAL A 34 -0.097 -19.315 4.993 1.00 61.35 C ATOM 506 O VAL A 34 -0.180 -19.788 3.859 1.00 53.13 O ATOM 507 CB VAL A 34 0.993 -20.266 7.027 1.00 74.35 C ATOM 508 CG1 VAL A 34 -0.108 -21.285 6.770 1.00 25.02 C ATOM 509 CG2 VAL A 34 2.292 -20.958 7.410 1.00 43.25 C ATOM 0 H VAL A 34 1.825 -17.918 7.164 1.00 21.04 H new ATOM 0 HA VAL A 34 1.987 -19.804 5.168 1.00 34.12 H new ATOM 0 HB VAL A 34 0.685 -19.635 7.861 1.00 74.35 H new ATOM 0 HG11 VAL A 34 -0.242 -21.907 7.655 1.00 25.02 H new ATOM 0 HG12 VAL A 34 -1.040 -20.765 6.547 1.00 25.02 H new ATOM 0 HG13 VAL A 34 0.168 -21.913 5.923 1.00 25.02 H new ATOM 0 HG21 VAL A 34 2.126 -21.585 8.286 1.00 43.25 H new ATOM 0 HG22 VAL A 34 2.633 -21.577 6.580 1.00 43.25 H new ATOM 0 HG23 VAL A 34 3.050 -20.209 7.638 1.00 43.25 H new ATOM 519 N PRO A 35 -1.136 -18.722 5.598 1.00 54.33 N ATOM 520 CA PRO A 35 -2.451 -18.587 4.962 1.00 4.44 C ATOM 521 C PRO A 35 -2.435 -17.597 3.803 1.00 43.15 C ATOM 522 O PRO A 35 -3.350 -17.576 2.980 1.00 53.23 O ATOM 523 CB PRO A 35 -3.341 -18.069 6.095 1.00 4.21 C ATOM 524 CG PRO A 35 -2.405 -17.378 7.026 1.00 30.34 C ATOM 525 CD PRO A 35 -1.109 -18.136 6.949 1.00 63.24 C ATOM 0 HA PRO A 35 -2.793 -19.527 4.528 1.00 4.44 H new ATOM 0 HB2 PRO A 35 -4.102 -17.385 5.719 1.00 4.21 H new ATOM 0 HB3 PRO A 35 -3.864 -18.886 6.593 1.00 4.21 H new ATOM 0 HG2 PRO A 35 -2.265 -16.336 6.737 1.00 30.34 H new ATOM 0 HG3 PRO A 35 -2.797 -17.377 8.043 1.00 30.34 H new ATOM 0 HD2 PRO A 35 -0.250 -17.478 7.085 1.00 63.24 H new ATOM 0 HD3 PRO A 35 -1.047 -18.905 7.719 1.00 63.24 H new ATOM 533 N ARG A 36 -1.389 -16.779 3.743 1.00 50.11 N ATOM 534 CA ARG A 36 -1.255 -15.786 2.684 1.00 60.24 C ATOM 535 C ARG A 36 -0.546 -16.379 1.469 1.00 34.13 C ATOM 536 O ARG A 36 -0.216 -15.666 0.520 1.00 30.55 O ATOM 537 CB ARG A 36 -0.484 -14.567 3.193 1.00 64.14 C ATOM 538 CG ARG A 36 -1.362 -13.533 3.877 1.00 52.41 C ATOM 539 CD ARG A 36 -0.539 -12.579 4.729 1.00 53.33 C ATOM 540 NE ARG A 36 -0.766 -11.183 4.362 1.00 63.31 N ATOM 541 CZ ARG A 36 -1.887 -10.525 4.634 1.00 42.44 C ATOM 542 NH1 ARG A 36 -2.878 -11.131 5.271 1.00 31.45 N ATOM 543 NH2 ARG A 36 -2.018 -9.256 4.267 1.00 3.04 N ATOM 0 H ARG A 36 -0.622 -16.785 4.415 1.00 50.11 H new ATOM 0 HA ARG A 36 -2.256 -15.475 2.383 1.00 60.24 H new ATOM 0 HB2 ARG A 36 0.283 -14.899 3.892 1.00 64.14 H new ATOM 0 HB3 ARG A 36 0.030 -14.097 2.355 1.00 64.14 H new ATOM 0 HG2 ARG A 36 -1.913 -12.968 3.125 1.00 52.41 H new ATOM 0 HG3 ARG A 36 -2.100 -14.037 4.502 1.00 52.41 H new ATOM 0 HD2 ARG A 36 -0.790 -12.723 5.780 1.00 53.33 H new ATOM 0 HD3 ARG A 36 0.519 -12.815 4.619 1.00 53.33 H new ATOM 0 HE ARG A 36 -0.023 -10.687 3.870 1.00 63.31 H new ATOM 0 HH11 ARG A 36 -2.781 -12.106 5.554 1.00 31.45 H new ATOM 0 HH12 ARG A 36 -3.738 -10.622 5.478 1.00 31.45 H new ATOM 0 HH21 ARG A 36 -1.258 -8.786 3.776 1.00 3.04 H new ATOM 0 HH22 ARG A 36 -2.879 -8.751 4.476 1.00 3.04 H new ATOM 557 N LEU A 37 -0.316 -17.687 1.506 1.00 44.22 N ATOM 558 CA LEU A 37 0.354 -18.376 0.409 1.00 63.44 C ATOM 559 C LEU A 37 1.607 -17.622 -0.025 1.00 23.05 C ATOM 560 O LEU A 37 1.759 -17.270 -1.194 1.00 44.15 O ATOM 561 CB LEU A 37 -0.597 -18.532 -0.779 1.00 13.21 C ATOM 562 CG LEU A 37 -1.524 -19.747 -0.742 1.00 33.35 C ATOM 563 CD1 LEU A 37 -2.861 -19.380 -0.117 1.00 55.23 C ATOM 564 CD2 LEU A 37 -1.724 -20.309 -2.142 1.00 23.24 C ATOM 0 H LEU A 37 -0.583 -18.291 2.283 1.00 44.22 H new ATOM 0 HA LEU A 37 0.651 -19.364 0.762 1.00 63.44 H new ATOM 0 HB2 LEU A 37 -1.211 -17.634 -0.848 1.00 13.21 H new ATOM 0 HB3 LEU A 37 -0.002 -18.582 -1.691 1.00 13.21 H new ATOM 0 HG LEU A 37 -1.058 -20.516 -0.127 1.00 33.35 H new ATOM 0 HD11 LEU A 37 -3.507 -20.257 -0.099 1.00 55.23 H new ATOM 0 HD12 LEU A 37 -2.702 -19.026 0.902 1.00 55.23 H new ATOM 0 HD13 LEU A 37 -3.334 -18.593 -0.705 1.00 55.23 H new ATOM 0 HD21 LEU A 37 -2.387 -21.173 -2.096 1.00 23.24 H new ATOM 0 HD22 LEU A 37 -2.168 -19.545 -2.781 1.00 23.24 H new ATOM 0 HD23 LEU A 37 -0.761 -20.612 -2.554 1.00 23.24 H new ATOM 576 N PHE A 38 2.503 -17.379 0.926 1.00 5.21 N ATOM 577 CA PHE A 38 3.745 -16.667 0.643 1.00 75.42 C ATOM 578 C PHE A 38 4.733 -17.569 -0.092 1.00 15.31 C ATOM 579 O PHE A 38 4.992 -18.696 0.329 1.00 4.03 O ATOM 580 CB PHE A 38 4.372 -16.156 1.941 1.00 12.23 C ATOM 581 CG PHE A 38 5.169 -14.895 1.766 1.00 63.23 C ATOM 582 CD1 PHE A 38 4.543 -13.659 1.757 1.00 22.21 C ATOM 583 CD2 PHE A 38 6.545 -14.946 1.610 1.00 61.11 C ATOM 584 CE1 PHE A 38 5.275 -12.498 1.595 1.00 53.10 C ATOM 585 CE2 PHE A 38 7.282 -13.788 1.448 1.00 60.03 C ATOM 586 CZ PHE A 38 6.646 -12.562 1.441 1.00 31.23 C ATOM 0 H PHE A 38 2.393 -17.664 1.899 1.00 5.21 H new ATOM 0 HA PHE A 38 3.510 -15.817 0.003 1.00 75.42 H new ATOM 0 HB2 PHE A 38 3.582 -15.979 2.671 1.00 12.23 H new ATOM 0 HB3 PHE A 38 5.019 -16.931 2.352 1.00 12.23 H new ATOM 0 HD1 PHE A 38 3.471 -13.602 1.878 1.00 22.21 H new ATOM 0 HD2 PHE A 38 7.047 -15.902 1.615 1.00 61.11 H new ATOM 0 HE1 PHE A 38 4.775 -11.541 1.589 1.00 53.10 H new ATOM 0 HE2 PHE A 38 8.354 -13.842 1.327 1.00 60.03 H new ATOM 0 HZ PHE A 38 7.219 -11.655 1.315 1.00 31.23 H new ATOM 596 N ARG A 39 5.279 -17.063 -1.193 1.00 25.53 N ATOM 597 CA ARG A 39 6.237 -17.823 -1.988 1.00 2.44 C ATOM 598 C ARG A 39 7.235 -16.892 -2.672 1.00 34.14 C ATOM 599 O ARG A 39 6.919 -15.741 -2.974 1.00 63.22 O ATOM 600 CB ARG A 39 5.508 -18.665 -3.036 1.00 21.33 C ATOM 601 CG ARG A 39 5.452 -20.146 -2.696 1.00 2.44 C ATOM 602 CD ARG A 39 4.275 -20.829 -3.374 1.00 64.11 C ATOM 603 NE ARG A 39 4.276 -22.272 -3.148 1.00 52.12 N ATOM 604 CZ ARG A 39 3.270 -23.070 -3.490 1.00 43.33 C ATOM 605 NH1 ARG A 39 2.189 -22.568 -4.071 1.00 45.54 N ATOM 606 NH2 ARG A 39 3.345 -24.373 -3.252 1.00 11.22 N ATOM 0 H ARG A 39 5.075 -16.131 -1.555 1.00 25.53 H new ATOM 0 HA ARG A 39 6.784 -18.485 -1.317 1.00 2.44 H new ATOM 0 HB2 ARG A 39 4.492 -18.288 -3.150 1.00 21.33 H new ATOM 0 HB3 ARG A 39 6.004 -18.540 -3.999 1.00 21.33 H new ATOM 0 HG2 ARG A 39 6.380 -20.627 -3.005 1.00 2.44 H new ATOM 0 HG3 ARG A 39 5.373 -20.270 -1.616 1.00 2.44 H new ATOM 0 HD2 ARG A 39 3.344 -20.404 -2.999 1.00 64.11 H new ATOM 0 HD3 ARG A 39 4.308 -20.630 -4.445 1.00 64.11 H new ATOM 0 HE ARG A 39 5.093 -22.690 -2.703 1.00 52.12 H new ATOM 0 HH11 ARG A 39 2.128 -21.567 -4.257 1.00 45.54 H new ATOM 0 HH12 ARG A 39 1.418 -23.183 -4.332 1.00 45.54 H new ATOM 0 HH21 ARG A 39 4.175 -24.763 -2.806 1.00 11.22 H new ATOM 0 HH22 ARG A 39 2.572 -24.985 -3.515 1.00 11.22 H new ATOM 620 N VAL A 40 8.440 -17.399 -2.912 1.00 51.41 N ATOM 621 CA VAL A 40 9.484 -16.614 -3.561 1.00 15.35 C ATOM 622 C VAL A 40 9.759 -17.124 -4.971 1.00 15.43 C ATOM 623 O VAL A 40 9.668 -18.322 -5.237 1.00 42.42 O ATOM 624 CB VAL A 40 10.793 -16.644 -2.751 1.00 25.11 C ATOM 625 CG1 VAL A 40 11.857 -15.790 -3.423 1.00 50.45 C ATOM 626 CG2 VAL A 40 10.548 -16.179 -1.324 1.00 0.14 C ATOM 0 H VAL A 40 8.718 -18.349 -2.667 1.00 51.41 H new ATOM 0 HA VAL A 40 9.122 -15.587 -3.614 1.00 15.35 H new ATOM 0 HB VAL A 40 11.154 -17.672 -2.717 1.00 25.11 H new ATOM 0 HG11 VAL A 40 12.775 -15.824 -2.836 1.00 50.45 H new ATOM 0 HG12 VAL A 40 12.052 -16.174 -4.424 1.00 50.45 H new ATOM 0 HG13 VAL A 40 11.507 -14.760 -3.491 1.00 50.45 H new ATOM 0 HG21 VAL A 40 11.484 -16.207 -0.766 1.00 0.14 H new ATOM 0 HG22 VAL A 40 10.162 -15.160 -1.335 1.00 0.14 H new ATOM 0 HG23 VAL A 40 9.822 -16.837 -0.847 1.00 0.14 H new ATOM 636 N ALA A 41 10.095 -16.206 -5.871 1.00 1.52 N ATOM 637 CA ALA A 41 10.386 -16.562 -7.254 1.00 21.22 C ATOM 638 C ALA A 41 11.433 -15.630 -7.853 1.00 4.44 C ATOM 639 O ALA A 41 11.486 -14.445 -7.521 1.00 24.54 O ATOM 640 CB ALA A 41 9.112 -16.532 -8.086 1.00 25.23 C ATOM 0 H ALA A 41 10.172 -15.210 -5.667 1.00 1.52 H new ATOM 0 HA ALA A 41 10.791 -17.574 -7.265 1.00 21.22 H new ATOM 0 HB1 ALA A 41 9.344 -16.800 -9.117 1.00 25.23 H new ATOM 0 HB2 ALA A 41 8.395 -17.244 -7.679 1.00 25.23 H new ATOM 0 HB3 ALA A 41 8.683 -15.530 -8.059 1.00 25.23 H new ATOM 646 N SER A 42 12.266 -16.171 -8.736 1.00 73.40 N ATOM 647 CA SER A 42 13.315 -15.388 -9.378 1.00 21.32 C ATOM 648 C SER A 42 13.506 -15.821 -10.828 1.00 62.42 C ATOM 649 O SER A 42 13.150 -16.937 -11.208 1.00 22.33 O ATOM 650 CB SER A 42 14.631 -15.536 -8.612 1.00 43.50 C ATOM 651 OG SER A 42 15.664 -14.783 -9.224 1.00 44.01 O ATOM 0 H SER A 42 12.235 -17.149 -9.023 1.00 73.40 H new ATOM 0 HA SER A 42 13.012 -14.341 -9.367 1.00 21.32 H new ATOM 0 HB2 SER A 42 14.496 -15.204 -7.583 1.00 43.50 H new ATOM 0 HB3 SER A 42 14.917 -16.587 -8.573 1.00 43.50 H new ATOM 0 HG SER A 42 15.895 -14.021 -8.653 1.00 44.01 H new ATOM 657 N LYS A 43 14.071 -14.930 -11.636 1.00 21.14 N ATOM 658 CA LYS A 43 14.312 -15.218 -13.045 1.00 0.25 C ATOM 659 C LYS A 43 15.649 -15.927 -13.234 1.00 70.31 C ATOM 660 O LYS A 43 15.770 -16.833 -14.059 1.00 43.12 O ATOM 661 CB LYS A 43 14.289 -13.924 -13.862 1.00 33.13 C ATOM 662 CG LYS A 43 13.611 -14.070 -15.213 1.00 71.41 C ATOM 663 CD LYS A 43 14.609 -14.429 -16.302 1.00 12.54 C ATOM 664 CE LYS A 43 13.912 -14.722 -17.621 1.00 63.34 C ATOM 665 NZ LYS A 43 14.586 -14.049 -18.766 1.00 50.30 N ATOM 0 H LYS A 43 14.371 -14.001 -11.339 1.00 21.14 H new ATOM 0 HA LYS A 43 13.518 -15.877 -13.397 1.00 0.25 H new ATOM 0 HB2 LYS A 43 13.776 -13.151 -13.289 1.00 33.13 H new ATOM 0 HB3 LYS A 43 15.313 -13.582 -14.014 1.00 33.13 H new ATOM 0 HG2 LYS A 43 12.843 -14.841 -15.154 1.00 71.41 H new ATOM 0 HG3 LYS A 43 13.109 -13.138 -15.472 1.00 71.41 H new ATOM 0 HD2 LYS A 43 15.314 -13.608 -16.436 1.00 12.54 H new ATOM 0 HD3 LYS A 43 15.188 -15.300 -15.994 1.00 12.54 H new ATOM 0 HE2 LYS A 43 13.895 -15.798 -17.791 1.00 63.34 H new ATOM 0 HE3 LYS A 43 12.875 -14.392 -17.565 1.00 63.34 H new ATOM 0 HZ1 LYS A 43 14.081 -14.273 -19.647 1.00 50.30 H new ATOM 0 HZ2 LYS A 43 14.580 -13.020 -18.616 1.00 50.30 H new ATOM 0 HZ3 LYS A 43 15.568 -14.383 -18.836 1.00 50.30 H new ATOM 679 N ASP A 44 16.649 -15.511 -12.465 1.00 34.04 N ATOM 680 CA ASP A 44 17.976 -16.109 -12.546 1.00 43.22 C ATOM 681 C ASP A 44 17.896 -17.628 -12.430 1.00 4.31 C ATOM 682 O ASP A 44 17.990 -18.342 -13.428 1.00 71.21 O ATOM 683 CB ASP A 44 18.880 -15.548 -11.447 1.00 50.42 C ATOM 684 CG ASP A 44 19.732 -14.391 -11.932 1.00 74.04 C ATOM 685 OD1 ASP A 44 19.185 -13.495 -12.609 1.00 20.20 O ATOM 686 OD2 ASP A 44 20.945 -14.382 -11.636 1.00 60.12 O ATOM 0 H ASP A 44 16.566 -14.762 -11.778 1.00 34.04 H new ATOM 0 HA ASP A 44 18.401 -15.859 -13.518 1.00 43.22 H new ATOM 0 HB2 ASP A 44 18.266 -15.217 -10.609 1.00 50.42 H new ATOM 0 HB3 ASP A 44 19.528 -16.341 -11.074 1.00 50.42 H new ATOM 691 N ARG A 45 17.724 -18.114 -11.205 1.00 63.22 N ATOM 692 CA ARG A 45 17.634 -19.548 -10.958 1.00 64.23 C ATOM 693 C ARG A 45 16.295 -19.907 -10.322 1.00 73.53 C ATOM 694 O ARG A 45 15.874 -21.063 -10.347 1.00 23.40 O ATOM 695 CB ARG A 45 18.780 -20.004 -10.052 1.00 73.15 C ATOM 696 CG ARG A 45 19.231 -21.432 -10.313 1.00 34.13 C ATOM 697 CD ARG A 45 19.998 -21.999 -9.128 1.00 52.32 C ATOM 698 NE ARG A 45 20.272 -23.425 -9.285 1.00 13.40 N ATOM 699 CZ ARG A 45 19.363 -24.373 -9.089 1.00 72.42 C ATOM 700 NH1 ARG A 45 18.128 -24.049 -8.732 1.00 31.44 N ATOM 701 NH2 ARG A 45 19.688 -25.649 -9.252 1.00 24.43 N ATOM 0 H ARG A 45 17.644 -17.536 -10.368 1.00 63.22 H new ATOM 0 HA ARG A 45 17.711 -20.062 -11.916 1.00 64.23 H new ATOM 0 HB2 ARG A 45 19.628 -19.333 -10.188 1.00 73.15 H new ATOM 0 HB3 ARG A 45 18.467 -19.915 -9.012 1.00 73.15 H new ATOM 0 HG2 ARG A 45 18.362 -22.057 -10.518 1.00 34.13 H new ATOM 0 HG3 ARG A 45 19.861 -21.459 -11.202 1.00 34.13 H new ATOM 0 HD2 ARG A 45 20.938 -21.460 -9.013 1.00 52.32 H new ATOM 0 HD3 ARG A 45 19.425 -21.838 -8.215 1.00 52.32 H new ATOM 0 HE ARG A 45 21.213 -23.708 -9.560 1.00 13.40 H new ATOM 0 HH11 ARG A 45 17.874 -23.069 -8.607 1.00 31.44 H new ATOM 0 HH12 ARG A 45 17.432 -24.780 -8.582 1.00 31.44 H new ATOM 0 HH21 ARG A 45 20.637 -25.902 -9.528 1.00 24.43 H new ATOM 0 HH22 ARG A 45 18.989 -26.377 -9.101 1.00 24.43 H new ATOM 715 N GLY A 46 15.629 -18.908 -9.752 1.00 52.42 N ATOM 716 CA GLY A 46 14.344 -19.139 -9.117 1.00 45.42 C ATOM 717 C GLY A 46 14.482 -19.564 -7.669 1.00 20.12 C ATOM 718 O GLY A 46 13.506 -19.559 -6.918 1.00 5.52 O ATOM 0 H GLY A 46 15.956 -17.942 -9.718 1.00 52.42 H new ATOM 0 HA2 GLY A 46 13.747 -18.229 -9.170 1.00 45.42 H new ATOM 0 HA3 GLY A 46 13.803 -19.908 -9.668 1.00 45.42 H new ATOM 722 N ASP A 47 15.695 -19.935 -7.276 1.00 24.43 N ATOM 723 CA ASP A 47 15.957 -20.367 -5.908 1.00 3.35 C ATOM 724 C ASP A 47 17.247 -19.746 -5.380 1.00 20.24 C ATOM 725 O ASP A 47 18.102 -20.440 -4.828 1.00 62.42 O ATOM 726 CB ASP A 47 16.045 -21.892 -5.839 1.00 22.10 C ATOM 727 CG ASP A 47 15.559 -22.441 -4.512 1.00 2.00 C ATOM 728 OD1 ASP A 47 14.406 -22.146 -4.135 1.00 2.53 O ATOM 729 OD2 ASP A 47 16.332 -23.165 -3.850 1.00 62.32 O ATOM 0 H ASP A 47 16.513 -19.945 -7.885 1.00 24.43 H new ATOM 0 HA ASP A 47 15.130 -20.031 -5.283 1.00 3.35 H new ATOM 0 HB2 ASP A 47 15.453 -22.324 -6.646 1.00 22.10 H new ATOM 0 HB3 ASP A 47 17.078 -22.201 -6.000 1.00 22.10 H new ATOM 734 N LEU A 48 17.381 -18.436 -5.553 1.00 1.02 N ATOM 735 CA LEU A 48 18.567 -17.721 -5.095 1.00 25.23 C ATOM 736 C LEU A 48 18.511 -17.480 -3.590 1.00 14.23 C ATOM 737 O LEU A 48 19.500 -17.673 -2.881 1.00 53.53 O ATOM 738 CB LEU A 48 18.700 -16.387 -5.832 1.00 72.51 C ATOM 739 CG LEU A 48 18.893 -16.474 -7.346 1.00 55.05 C ATOM 740 CD1 LEU A 48 17.558 -16.688 -8.043 1.00 73.21 C ATOM 741 CD2 LEU A 48 19.574 -15.218 -7.870 1.00 71.10 C ATOM 0 H LEU A 48 16.683 -17.847 -6.007 1.00 1.02 H new ATOM 0 HA LEU A 48 19.439 -18.338 -5.313 1.00 25.23 H new ATOM 0 HB2 LEU A 48 17.807 -15.794 -5.633 1.00 72.51 H new ATOM 0 HB3 LEU A 48 19.545 -15.843 -5.409 1.00 72.51 H new ATOM 0 HG LEU A 48 19.534 -17.329 -7.562 1.00 55.05 H new ATOM 0 HD11 LEU A 48 17.715 -16.747 -9.120 1.00 73.21 H new ATOM 0 HD12 LEU A 48 17.108 -17.616 -7.690 1.00 73.21 H new ATOM 0 HD13 LEU A 48 16.893 -15.854 -7.819 1.00 73.21 H new ATOM 0 HD21 LEU A 48 19.703 -15.298 -8.949 1.00 71.10 H new ATOM 0 HD22 LEU A 48 18.958 -14.348 -7.641 1.00 71.10 H new ATOM 0 HD23 LEU A 48 20.549 -15.108 -7.395 1.00 71.10 H new ATOM 753 N LEU A 49 17.347 -17.059 -3.107 1.00 13.00 N ATOM 754 CA LEU A 49 17.159 -16.793 -1.685 1.00 23.32 C ATOM 755 C LEU A 49 15.773 -17.234 -1.227 1.00 31.24 C ATOM 756 O LEU A 49 14.868 -17.412 -2.041 1.00 33.52 O ATOM 757 CB LEU A 49 17.356 -15.304 -1.394 1.00 33.52 C ATOM 758 CG LEU A 49 18.676 -14.696 -1.869 1.00 34.11 C ATOM 759 CD1 LEU A 49 18.444 -13.789 -3.067 1.00 44.14 C ATOM 760 CD2 LEU A 49 19.347 -13.929 -0.739 1.00 33.22 C ATOM 0 H LEU A 49 16.519 -16.894 -3.679 1.00 13.00 H new ATOM 0 HA LEU A 49 17.903 -17.366 -1.132 1.00 23.32 H new ATOM 0 HB2 LEU A 49 16.538 -14.753 -1.857 1.00 33.52 H new ATOM 0 HB3 LEU A 49 17.275 -15.151 -0.318 1.00 33.52 H new ATOM 0 HG LEU A 49 19.338 -15.506 -2.175 1.00 34.11 H new ATOM 0 HD11 LEU A 49 19.394 -13.365 -3.392 1.00 44.14 H new ATOM 0 HD12 LEU A 49 18.007 -14.367 -3.882 1.00 44.14 H new ATOM 0 HD13 LEU A 49 17.764 -12.984 -2.788 1.00 44.14 H new ATOM 0 HD21 LEU A 49 20.285 -13.503 -1.095 1.00 33.22 H new ATOM 0 HD22 LEU A 49 18.689 -13.128 -0.402 1.00 33.22 H new ATOM 0 HD23 LEU A 49 19.548 -14.606 0.091 1.00 33.22 H new ATOM 772 N GLU A 50 15.615 -17.406 0.082 1.00 34.01 N ATOM 773 CA GLU A 50 14.337 -17.824 0.648 1.00 65.50 C ATOM 774 C GLU A 50 14.043 -17.072 1.943 1.00 64.23 C ATOM 775 O GLU A 50 14.956 -16.720 2.690 1.00 10.02 O ATOM 776 CB GLU A 50 14.340 -19.332 0.910 1.00 1.14 C ATOM 777 CG GLU A 50 13.012 -20.005 0.606 1.00 63.00 C ATOM 778 CD GLU A 50 12.601 -20.996 1.678 1.00 44.04 C ATOM 779 OE1 GLU A 50 11.966 -20.573 2.666 1.00 44.31 O ATOM 780 OE2 GLU A 50 12.915 -22.196 1.527 1.00 0.52 O ATOM 0 H GLU A 50 16.355 -17.263 0.770 1.00 34.01 H new ATOM 0 HA GLU A 50 13.554 -17.589 -0.073 1.00 65.50 H new ATOM 0 HB2 GLU A 50 15.120 -19.796 0.306 1.00 1.14 H new ATOM 0 HB3 GLU A 50 14.598 -19.510 1.954 1.00 1.14 H new ATOM 0 HG2 GLU A 50 12.238 -19.244 0.504 1.00 63.00 H new ATOM 0 HG3 GLU A 50 13.081 -20.520 -0.352 1.00 63.00 H new ATOM 787 N VAL A 51 12.762 -16.829 2.201 1.00 44.10 N ATOM 788 CA VAL A 51 12.347 -16.119 3.405 1.00 74.22 C ATOM 789 C VAL A 51 11.875 -17.091 4.480 1.00 31.14 C ATOM 790 O VAL A 51 11.257 -18.112 4.181 1.00 54.30 O ATOM 791 CB VAL A 51 11.217 -15.116 3.103 1.00 20.44 C ATOM 792 CG1 VAL A 51 10.081 -15.800 2.358 1.00 51.01 C ATOM 793 CG2 VAL A 51 10.714 -14.479 4.390 1.00 41.44 C ATOM 0 H VAL A 51 11.994 -17.113 1.593 1.00 44.10 H new ATOM 0 HA VAL A 51 13.219 -15.575 3.769 1.00 74.22 H new ATOM 0 HB VAL A 51 11.615 -14.327 2.465 1.00 20.44 H new ATOM 0 HG11 VAL A 51 9.292 -15.076 2.153 1.00 51.01 H new ATOM 0 HG12 VAL A 51 10.455 -16.205 1.418 1.00 51.01 H new ATOM 0 HG13 VAL A 51 9.681 -16.610 2.968 1.00 51.01 H new ATOM 0 HG21 VAL A 51 9.916 -13.773 4.159 1.00 41.44 H new ATOM 0 HG22 VAL A 51 10.332 -15.254 5.054 1.00 41.44 H new ATOM 0 HG23 VAL A 51 11.533 -13.953 4.880 1.00 41.44 H new ATOM 803 N ASN A 52 12.171 -16.766 5.735 1.00 72.32 N ATOM 804 CA ASN A 52 11.777 -17.611 6.856 1.00 14.04 C ATOM 805 C ASN A 52 10.555 -17.037 7.567 1.00 55.33 C ATOM 806 O ASN A 52 10.559 -15.883 7.999 1.00 21.44 O ATOM 807 CB ASN A 52 12.935 -17.754 7.846 1.00 71.23 C ATOM 808 CG ASN A 52 12.605 -18.693 8.990 1.00 11.34 C ATOM 809 OD1 ASN A 52 11.532 -19.295 9.024 1.00 60.51 O ATOM 810 ND2 ASN A 52 13.529 -18.820 9.936 1.00 73.12 N ATOM 0 H ASN A 52 12.682 -15.924 6.000 1.00 72.32 H new ATOM 0 HA ASN A 52 11.519 -18.595 6.463 1.00 14.04 H new ATOM 0 HB2 ASN A 52 13.816 -18.122 7.320 1.00 71.23 H new ATOM 0 HB3 ASN A 52 13.190 -16.773 8.247 1.00 71.23 H new ATOM 0 HD21 ASN A 52 13.363 -19.436 10.732 1.00 73.12 H new ATOM 0 HD22 ASN A 52 14.405 -18.301 9.867 1.00 73.12 H new ATOM 817 N LEU A 53 9.510 -17.849 7.684 1.00 54.51 N ATOM 818 CA LEU A 53 8.280 -17.422 8.343 1.00 73.34 C ATOM 819 C LEU A 53 8.481 -17.308 9.850 1.00 31.13 C ATOM 820 O LEU A 53 7.604 -16.827 10.568 1.00 63.13 O ATOM 821 CB LEU A 53 7.149 -18.407 8.041 1.00 54.14 C ATOM 822 CG LEU A 53 6.729 -18.519 6.574 1.00 5.54 C ATOM 823 CD1 LEU A 53 7.381 -19.729 5.924 1.00 43.34 C ATOM 824 CD2 LEU A 53 5.214 -18.599 6.457 1.00 24.04 C ATOM 0 H LEU A 53 9.489 -18.806 7.332 1.00 54.51 H new ATOM 0 HA LEU A 53 8.011 -16.439 7.956 1.00 73.34 H new ATOM 0 HB2 LEU A 53 7.452 -19.395 8.388 1.00 54.14 H new ATOM 0 HB3 LEU A 53 6.276 -18.118 8.627 1.00 54.14 H new ATOM 0 HG LEU A 53 7.066 -17.625 6.050 1.00 5.54 H new ATOM 0 HD11 LEU A 53 7.071 -19.793 4.881 1.00 43.34 H new ATOM 0 HD12 LEU A 53 8.465 -19.629 5.975 1.00 43.34 H new ATOM 0 HD13 LEU A 53 7.075 -20.634 6.450 1.00 43.34 H new ATOM 0 HD21 LEU A 53 4.934 -18.678 5.407 1.00 24.04 H new ATOM 0 HD22 LEU A 53 4.853 -19.475 6.996 1.00 24.04 H new ATOM 0 HD23 LEU A 53 4.768 -17.701 6.885 1.00 24.04 H new ATOM 836 N GLN A 54 9.641 -17.752 10.323 1.00 44.35 N ATOM 837 CA GLN A 54 9.958 -17.697 11.745 1.00 74.51 C ATOM 838 C GLN A 54 9.902 -16.263 12.260 1.00 24.25 C ATOM 839 O GLN A 54 9.171 -15.960 13.202 1.00 3.21 O ATOM 840 CB GLN A 54 11.343 -18.292 12.004 1.00 70.21 C ATOM 841 CG GLN A 54 11.561 -18.722 13.446 1.00 75.44 C ATOM 842 CD GLN A 54 11.586 -20.229 13.607 1.00 24.43 C ATOM 843 OE1 GLN A 54 12.034 -20.953 12.718 1.00 62.35 O ATOM 844 NE2 GLN A 54 11.105 -20.711 14.747 1.00 23.14 N ATOM 0 H GLN A 54 10.377 -18.154 9.742 1.00 44.35 H new ATOM 0 HA GLN A 54 9.213 -18.285 12.281 1.00 74.51 H new ATOM 0 HB2 GLN A 54 11.487 -19.153 11.351 1.00 70.21 H new ATOM 0 HB3 GLN A 54 12.101 -17.557 11.734 1.00 70.21 H new ATOM 0 HG2 GLN A 54 12.502 -18.306 13.807 1.00 75.44 H new ATOM 0 HG3 GLN A 54 10.769 -18.307 14.069 1.00 75.44 H new ATOM 0 HE21 GLN A 54 10.743 -20.075 15.457 1.00 23.14 H new ATOM 0 HE22 GLN A 54 11.097 -21.717 14.912 1.00 23.14 H new ATOM 853 N ASN A 55 10.681 -15.385 11.637 1.00 61.02 N ATOM 854 CA ASN A 55 10.721 -13.982 12.034 1.00 63.24 C ATOM 855 C ASN A 55 10.522 -13.070 10.827 1.00 5.32 C ATOM 856 O ASN A 55 10.548 -11.846 10.950 1.00 0.13 O ATOM 857 CB ASN A 55 12.053 -13.662 12.716 1.00 52.43 C ATOM 858 CG ASN A 55 11.878 -13.268 14.170 1.00 74.22 C ATOM 859 OD1 ASN A 55 10.992 -13.775 14.859 1.00 2.21 O ATOM 860 ND2 ASN A 55 12.723 -12.360 14.643 1.00 62.11 N ATOM 0 H ASN A 55 11.293 -15.620 10.855 1.00 61.02 H new ATOM 0 HA ASN A 55 9.908 -13.805 12.738 1.00 63.24 H new ATOM 0 HB2 ASN A 55 12.708 -14.531 12.654 1.00 52.43 H new ATOM 0 HB3 ASN A 55 12.547 -12.852 12.180 1.00 52.43 H new ATOM 0 HD21 ASN A 55 12.653 -12.055 15.614 1.00 62.11 H new ATOM 0 HD22 ASN A 55 13.442 -11.967 14.035 1.00 62.11 H new ATOM 867 N GLY A 56 10.324 -13.675 9.660 1.00 34.22 N ATOM 868 CA GLY A 56 10.123 -12.903 8.448 1.00 11.43 C ATOM 869 C GLY A 56 11.422 -12.617 7.721 1.00 73.22 C ATOM 870 O GLY A 56 11.415 -12.251 6.545 1.00 32.31 O ATOM 0 H GLY A 56 10.299 -14.687 9.532 1.00 34.22 H new ATOM 0 HA2 GLY A 56 9.450 -13.445 7.783 1.00 11.43 H new ATOM 0 HA3 GLY A 56 9.635 -11.961 8.698 1.00 11.43 H new ATOM 874 N ILE A 57 12.539 -12.783 8.421 1.00 52.01 N ATOM 875 CA ILE A 57 13.851 -12.540 7.834 1.00 53.10 C ATOM 876 C ILE A 57 14.210 -13.623 6.823 1.00 70.51 C ATOM 877 O ILE A 57 13.894 -14.798 7.017 1.00 71.25 O ATOM 878 CB ILE A 57 14.947 -12.477 8.913 1.00 4.24 C ATOM 879 CG1 ILE A 57 14.695 -11.301 9.860 1.00 62.24 C ATOM 880 CG2 ILE A 57 16.320 -12.359 8.268 1.00 70.13 C ATOM 881 CD1 ILE A 57 14.660 -9.960 9.161 1.00 45.00 C ATOM 0 H ILE A 57 12.562 -13.085 9.395 1.00 52.01 H new ATOM 0 HA ILE A 57 13.796 -11.577 7.327 1.00 53.10 H new ATOM 0 HB ILE A 57 14.918 -13.399 9.493 1.00 4.24 H new ATOM 0 HG12 ILE A 57 13.748 -11.457 10.377 1.00 62.24 H new ATOM 0 HG13 ILE A 57 15.475 -11.285 10.622 1.00 62.24 H new ATOM 0 HG21 ILE A 57 17.084 -12.316 9.044 1.00 70.13 H new ATOM 0 HG22 ILE A 57 16.499 -13.225 7.631 1.00 70.13 H new ATOM 0 HG23 ILE A 57 16.362 -11.451 7.666 1.00 70.13 H new ATOM 0 HD11 ILE A 57 14.477 -9.173 9.893 1.00 45.00 H new ATOM 0 HD12 ILE A 57 15.615 -9.782 8.667 1.00 45.00 H new ATOM 0 HD13 ILE A 57 13.862 -9.957 8.419 1.00 45.00 H new ATOM 893 N LEU A 58 14.874 -13.222 5.745 1.00 53.14 N ATOM 894 CA LEU A 58 15.279 -14.159 4.702 1.00 13.14 C ATOM 895 C LEU A 58 16.780 -14.423 4.761 1.00 32.22 C ATOM 896 O LEU A 58 17.555 -13.570 5.194 1.00 54.22 O ATOM 897 CB LEU A 58 14.899 -13.615 3.324 1.00 13.12 C ATOM 898 CG LEU A 58 15.493 -12.256 2.952 1.00 15.20 C ATOM 899 CD1 LEU A 58 15.826 -12.207 1.469 1.00 30.10 C ATOM 900 CD2 LEU A 58 14.532 -11.135 3.322 1.00 40.13 C ATOM 0 H LEU A 58 15.144 -12.254 5.570 1.00 53.14 H new ATOM 0 HA LEU A 58 14.756 -15.100 4.871 1.00 13.14 H new ATOM 0 HB2 LEU A 58 15.206 -14.341 2.571 1.00 13.12 H new ATOM 0 HB3 LEU A 58 13.813 -13.541 3.272 1.00 13.12 H new ATOM 0 HG LEU A 58 16.416 -12.118 3.515 1.00 15.20 H new ATOM 0 HD11 LEU A 58 16.248 -11.232 1.223 1.00 30.10 H new ATOM 0 HD12 LEU A 58 16.551 -12.986 1.233 1.00 30.10 H new ATOM 0 HD13 LEU A 58 14.919 -12.367 0.887 1.00 30.10 H new ATOM 0 HD21 LEU A 58 14.971 -10.175 3.050 1.00 40.13 H new ATOM 0 HD22 LEU A 58 13.593 -11.269 2.786 1.00 40.13 H new ATOM 0 HD23 LEU A 58 14.343 -11.157 4.395 1.00 40.13 H new ATOM 912 N PHE A 59 17.184 -15.610 4.321 1.00 20.32 N ATOM 913 CA PHE A 59 18.593 -15.987 4.322 1.00 12.15 C ATOM 914 C PHE A 59 19.020 -16.499 2.950 1.00 42.30 C ATOM 915 O PHE A 59 18.195 -16.659 2.050 1.00 4.11 O ATOM 916 CB PHE A 59 18.855 -17.058 5.383 1.00 3.01 C ATOM 917 CG PHE A 59 17.833 -18.158 5.390 1.00 61.44 C ATOM 918 CD1 PHE A 59 17.689 -18.994 4.294 1.00 55.02 C ATOM 919 CD2 PHE A 59 17.017 -18.358 6.492 1.00 43.34 C ATOM 920 CE1 PHE A 59 16.748 -20.007 4.297 1.00 41.20 C ATOM 921 CE2 PHE A 59 16.075 -19.369 6.501 1.00 63.23 C ATOM 922 CZ PHE A 59 15.941 -20.195 5.402 1.00 24.52 C ATOM 0 H PHE A 59 16.556 -16.328 3.959 1.00 20.32 H new ATOM 0 HA PHE A 59 19.181 -15.100 4.558 1.00 12.15 H new ATOM 0 HB2 PHE A 59 19.841 -17.491 5.215 1.00 3.01 H new ATOM 0 HB3 PHE A 59 18.877 -16.587 6.366 1.00 3.01 H new ATOM 0 HD1 PHE A 59 18.319 -18.853 3.428 1.00 55.02 H new ATOM 0 HD2 PHE A 59 17.118 -17.716 7.354 1.00 43.34 H new ATOM 0 HE1 PHE A 59 16.644 -20.651 3.436 1.00 41.20 H new ATOM 0 HE2 PHE A 59 15.445 -19.513 7.366 1.00 63.23 H new ATOM 0 HZ PHE A 59 15.206 -20.987 5.407 1.00 24.52 H new ATOM 932 N VAL A 60 20.316 -16.753 2.797 1.00 31.20 N ATOM 933 CA VAL A 60 20.854 -17.247 1.535 1.00 22.33 C ATOM 934 C VAL A 60 20.292 -18.624 1.200 1.00 71.04 C ATOM 935 O VAL A 60 20.081 -19.452 2.084 1.00 21.15 O ATOM 936 CB VAL A 60 22.392 -17.328 1.575 1.00 72.54 C ATOM 937 CG1 VAL A 60 22.928 -17.923 0.282 1.00 65.25 C ATOM 938 CG2 VAL A 60 22.991 -15.953 1.828 1.00 62.42 C ATOM 0 H VAL A 60 21.012 -16.625 3.531 1.00 31.20 H new ATOM 0 HA VAL A 60 20.554 -16.538 0.763 1.00 22.33 H new ATOM 0 HB VAL A 60 22.684 -17.982 2.396 1.00 72.54 H new ATOM 0 HG11 VAL A 60 24.016 -17.973 0.328 1.00 65.25 H new ATOM 0 HG12 VAL A 60 22.524 -18.927 0.148 1.00 65.25 H new ATOM 0 HG13 VAL A 60 22.629 -17.297 -0.558 1.00 65.25 H new ATOM 0 HG21 VAL A 60 24.078 -16.029 1.853 1.00 62.42 H new ATOM 0 HG22 VAL A 60 22.693 -15.274 1.029 1.00 62.42 H new ATOM 0 HG23 VAL A 60 22.632 -15.570 2.783 1.00 62.42 H new ATOM 948 N ASN A 61 20.052 -18.862 -0.086 1.00 14.51 N ATOM 949 CA ASN A 61 19.513 -20.139 -0.539 1.00 44.14 C ATOM 950 C ASN A 61 20.424 -20.771 -1.588 1.00 32.34 C ATOM 951 O ASN A 61 20.585 -21.991 -1.630 1.00 5.12 O ATOM 952 CB ASN A 61 18.109 -19.948 -1.116 1.00 31.53 C ATOM 953 CG ASN A 61 17.342 -21.253 -1.214 1.00 25.40 C ATOM 954 OD1 ASN A 61 17.892 -22.329 -0.975 1.00 4.41 O ATOM 955 ND2 ASN A 61 16.066 -21.164 -1.568 1.00 34.24 N ATOM 0 H ASN A 61 20.222 -18.187 -0.832 1.00 14.51 H new ATOM 0 HA ASN A 61 19.457 -20.807 0.320 1.00 44.14 H new ATOM 0 HB2 ASN A 61 17.554 -19.249 -0.490 1.00 31.53 H new ATOM 0 HB3 ASN A 61 18.184 -19.498 -2.106 1.00 31.53 H new ATOM 0 HD21 ASN A 61 15.500 -22.008 -1.651 1.00 34.24 H new ATOM 0 HD22 ASN A 61 15.652 -20.251 -1.757 1.00 34.24 H new ATOM 962 N SER A 62 21.017 -19.933 -2.432 1.00 33.12 N ATOM 963 CA SER A 62 21.909 -20.410 -3.482 1.00 53.13 C ATOM 964 C SER A 62 23.339 -19.941 -3.234 1.00 63.24 C ATOM 965 O SER A 62 23.658 -19.425 -2.163 1.00 40.44 O ATOM 966 CB SER A 62 21.429 -19.919 -4.850 1.00 31.14 C ATOM 967 OG SER A 62 21.716 -18.543 -5.027 1.00 42.20 O ATOM 0 H SER A 62 20.896 -18.920 -2.409 1.00 33.12 H new ATOM 0 HA SER A 62 21.895 -21.500 -3.469 1.00 53.13 H new ATOM 0 HB2 SER A 62 21.911 -20.498 -5.637 1.00 31.14 H new ATOM 0 HB3 SER A 62 20.356 -20.085 -4.943 1.00 31.14 H new ATOM 0 HG SER A 62 21.549 -18.291 -5.959 1.00 42.20 H new ATOM 973 N ARG A 63 24.197 -20.126 -4.233 1.00 10.43 N ATOM 974 CA ARG A 63 25.594 -19.723 -4.124 1.00 21.52 C ATOM 975 C ARG A 63 25.731 -18.206 -4.209 1.00 23.13 C ATOM 976 O ARG A 63 25.144 -17.568 -5.083 1.00 32.11 O ATOM 977 CB ARG A 63 26.424 -20.384 -5.226 1.00 5.21 C ATOM 978 CG ARG A 63 26.468 -21.900 -5.130 1.00 71.10 C ATOM 979 CD ARG A 63 25.369 -22.543 -5.962 1.00 12.43 C ATOM 980 NE ARG A 63 24.391 -23.240 -5.131 1.00 54.12 N ATOM 981 CZ ARG A 63 23.439 -24.027 -5.621 1.00 13.43 C ATOM 982 NH1 ARG A 63 23.338 -24.215 -6.929 1.00 73.31 N ATOM 983 NH2 ARG A 63 22.586 -24.627 -4.801 1.00 14.15 N ATOM 0 H ARG A 63 23.949 -20.552 -5.126 1.00 10.43 H new ATOM 0 HA ARG A 63 25.966 -20.049 -3.153 1.00 21.52 H new ATOM 0 HB2 ARG A 63 26.015 -20.102 -6.196 1.00 5.21 H new ATOM 0 HB3 ARG A 63 27.442 -19.996 -5.184 1.00 5.21 H new ATOM 0 HG2 ARG A 63 27.440 -22.259 -5.469 1.00 71.10 H new ATOM 0 HG3 ARG A 63 26.362 -22.203 -4.088 1.00 71.10 H new ATOM 0 HD2 ARG A 63 24.864 -21.777 -6.550 1.00 12.43 H new ATOM 0 HD3 ARG A 63 25.812 -23.246 -6.667 1.00 12.43 H new ATOM 0 HE ARG A 63 24.441 -23.116 -4.120 1.00 54.12 H new ATOM 0 HH11 ARG A 63 23.992 -23.755 -7.562 1.00 73.31 H new ATOM 0 HH12 ARG A 63 22.606 -24.820 -7.302 1.00 73.31 H new ATOM 0 HH21 ARG A 63 22.661 -24.484 -3.794 1.00 14.15 H new ATOM 0 HH22 ARG A 63 21.855 -25.231 -5.178 1.00 14.15 H new ATOM 997 N ILE A 64 26.510 -17.636 -3.295 1.00 55.44 N ATOM 998 CA ILE A 64 26.724 -16.194 -3.268 1.00 31.11 C ATOM 999 C ILE A 64 28.136 -15.840 -3.722 1.00 12.51 C ATOM 1000 O ILE A 64 28.414 -14.696 -4.083 1.00 0.23 O ATOM 1001 CB ILE A 64 26.489 -15.617 -1.859 1.00 44.25 C ATOM 1002 CG1 ILE A 64 25.105 -16.015 -1.345 1.00 74.42 C ATOM 1003 CG2 ILE A 64 26.639 -14.103 -1.876 1.00 13.10 C ATOM 1004 CD1 ILE A 64 23.972 -15.543 -2.230 1.00 64.33 C ATOM 0 H ILE A 64 27.003 -18.150 -2.565 1.00 55.44 H new ATOM 0 HA ILE A 64 26.003 -15.754 -3.957 1.00 31.11 H new ATOM 0 HB ILE A 64 27.238 -16.030 -1.183 1.00 44.25 H new ATOM 0 HG12 ILE A 64 25.058 -17.100 -1.256 1.00 74.42 H new ATOM 0 HG13 ILE A 64 24.967 -15.607 -0.344 1.00 74.42 H new ATOM 0 HG21 ILE A 64 26.470 -13.709 -0.874 1.00 13.10 H new ATOM 0 HG22 ILE A 64 27.645 -13.841 -2.204 1.00 13.10 H new ATOM 0 HG23 ILE A 64 25.910 -13.673 -2.562 1.00 13.10 H new ATOM 0 HD11 ILE A 64 23.021 -15.861 -1.804 1.00 64.33 H new ATOM 0 HD12 ILE A 64 23.993 -14.455 -2.299 1.00 64.33 H new ATOM 0 HD13 ILE A 64 24.085 -15.972 -3.226 1.00 64.33 H new ATOM 1016 N ASP A 65 29.023 -16.828 -3.703 1.00 30.01 N ATOM 1017 CA ASP A 65 30.406 -16.622 -4.116 1.00 4.24 C ATOM 1018 C ASP A 65 30.471 -15.914 -5.465 1.00 41.52 C ATOM 1019 O ASP A 65 29.684 -16.202 -6.367 1.00 11.32 O ATOM 1020 CB ASP A 65 31.143 -17.960 -4.192 1.00 41.01 C ATOM 1021 CG ASP A 65 30.285 -19.060 -4.784 1.00 34.50 C ATOM 1022 OD1 ASP A 65 29.426 -19.599 -4.055 1.00 72.21 O ATOM 1023 OD2 ASP A 65 30.472 -19.384 -5.976 1.00 1.41 O ATOM 0 H ASP A 65 28.809 -17.780 -3.406 1.00 30.01 H new ATOM 0 HA ASP A 65 30.891 -15.991 -3.371 1.00 4.24 H new ATOM 0 HB2 ASP A 65 32.044 -17.842 -4.794 1.00 41.01 H new ATOM 0 HB3 ASP A 65 31.464 -18.252 -3.192 1.00 41.01 H new ATOM 1028 N ARG A 66 31.413 -14.985 -5.596 1.00 61.30 N ATOM 1029 CA ARG A 66 31.579 -14.234 -6.835 1.00 31.24 C ATOM 1030 C ARG A 66 31.619 -15.172 -8.038 1.00 4.13 C ATOM 1031 O ARG A 66 31.130 -14.835 -9.115 1.00 72.22 O ATOM 1032 CB ARG A 66 32.859 -13.399 -6.782 1.00 64.00 C ATOM 1033 CG ARG A 66 34.054 -14.151 -6.219 1.00 3.23 C ATOM 1034 CD ARG A 66 35.363 -13.619 -6.782 1.00 71.41 C ATOM 1035 NE ARG A 66 36.246 -14.696 -7.224 1.00 12.42 N ATOM 1036 CZ ARG A 66 37.390 -14.490 -7.866 1.00 63.42 C ATOM 1037 NH1 ARG A 66 37.788 -13.256 -8.140 1.00 44.20 N ATOM 1038 NH2 ARG A 66 38.139 -15.522 -8.236 1.00 3.53 N ATOM 0 H ARG A 66 32.073 -14.735 -4.859 1.00 61.30 H new ATOM 0 HA ARG A 66 30.723 -13.568 -6.945 1.00 31.24 H new ATOM 0 HB2 ARG A 66 33.099 -13.053 -7.787 1.00 64.00 H new ATOM 0 HB3 ARG A 66 32.679 -12.512 -6.174 1.00 64.00 H new ATOM 0 HG2 ARG A 66 34.062 -14.063 -5.133 1.00 3.23 H new ATOM 0 HG3 ARG A 66 33.961 -15.212 -6.452 1.00 3.23 H new ATOM 0 HD2 ARG A 66 35.154 -12.955 -7.620 1.00 71.41 H new ATOM 0 HD3 ARG A 66 35.869 -13.024 -6.022 1.00 71.41 H new ATOM 0 HE ARG A 66 35.969 -15.658 -7.029 1.00 12.42 H new ATOM 0 HH11 ARG A 66 37.215 -12.461 -7.858 1.00 44.20 H new ATOM 0 HH12 ARG A 66 38.667 -13.101 -8.633 1.00 44.20 H new ATOM 0 HH21 ARG A 66 37.836 -16.473 -8.027 1.00 3.53 H new ATOM 0 HH22 ARG A 66 39.018 -15.364 -8.729 1.00 3.53 H new ATOM 1052 N GLU A 67 32.207 -16.349 -7.845 1.00 12.21 N ATOM 1053 CA GLU A 67 32.312 -17.334 -8.915 1.00 41.30 C ATOM 1054 C GLU A 67 30.930 -17.742 -9.417 1.00 11.41 C ATOM 1055 O GLU A 67 30.693 -17.815 -10.622 1.00 64.22 O ATOM 1056 CB GLU A 67 33.075 -18.568 -8.429 1.00 41.22 C ATOM 1057 CG GLU A 67 34.370 -18.818 -9.183 1.00 63.52 C ATOM 1058 CD GLU A 67 34.151 -19.554 -10.491 1.00 20.11 C ATOM 1059 OE1 GLU A 67 33.098 -20.210 -10.632 1.00 73.24 O ATOM 1060 OE2 GLU A 67 35.032 -19.474 -11.372 1.00 71.12 O ATOM 0 H GLU A 67 32.617 -16.643 -6.959 1.00 12.21 H new ATOM 0 HA GLU A 67 32.859 -16.879 -9.740 1.00 41.30 H new ATOM 0 HB2 GLU A 67 33.298 -18.452 -7.368 1.00 41.22 H new ATOM 0 HB3 GLU A 67 32.433 -19.443 -8.526 1.00 41.22 H new ATOM 0 HG2 GLU A 67 34.859 -17.865 -9.384 1.00 63.52 H new ATOM 0 HG3 GLU A 67 35.047 -19.396 -8.554 1.00 63.52 H new ATOM 1067 N GLU A 68 30.022 -18.006 -8.483 1.00 32.13 N ATOM 1068 CA GLU A 68 28.664 -18.408 -8.830 1.00 70.24 C ATOM 1069 C GLU A 68 27.798 -17.190 -9.140 1.00 64.24 C ATOM 1070 O GLU A 68 27.218 -17.086 -10.222 1.00 35.14 O ATOM 1071 CB GLU A 68 28.039 -19.215 -7.690 1.00 3.51 C ATOM 1072 CG GLU A 68 28.455 -20.676 -7.679 1.00 5.25 C ATOM 1073 CD GLU A 68 27.447 -21.575 -8.368 1.00 4.15 C ATOM 1074 OE1 GLU A 68 26.562 -21.043 -9.070 1.00 33.35 O ATOM 1075 OE2 GLU A 68 27.544 -22.809 -8.205 1.00 33.22 O ATOM 0 H GLU A 68 30.202 -17.949 -7.481 1.00 32.13 H new ATOM 0 HA GLU A 68 28.715 -19.033 -9.722 1.00 70.24 H new ATOM 0 HB2 GLU A 68 28.317 -18.760 -6.739 1.00 3.51 H new ATOM 0 HB3 GLU A 68 26.953 -19.156 -7.767 1.00 3.51 H new ATOM 0 HG2 GLU A 68 29.423 -20.778 -8.170 1.00 5.25 H new ATOM 0 HG3 GLU A 68 28.585 -21.005 -6.648 1.00 5.25 H new ATOM 1082 N LEU A 69 27.717 -16.271 -8.184 1.00 74.55 N ATOM 1083 CA LEU A 69 26.922 -15.060 -8.354 1.00 13.03 C ATOM 1084 C LEU A 69 27.206 -14.406 -9.702 1.00 61.01 C ATOM 1085 O LEU A 69 26.375 -14.442 -10.610 1.00 34.44 O ATOM 1086 CB LEU A 69 27.215 -14.072 -7.223 1.00 75.11 C ATOM 1087 CG LEU A 69 25.995 -13.429 -6.561 1.00 44.45 C ATOM 1088 CD1 LEU A 69 25.261 -12.535 -7.549 1.00 62.44 C ATOM 1089 CD2 LEU A 69 25.062 -14.497 -6.010 1.00 2.53 C ATOM 0 H LEU A 69 28.192 -16.341 -7.284 1.00 74.55 H new ATOM 0 HA LEU A 69 25.869 -15.339 -8.322 1.00 13.03 H new ATOM 0 HB2 LEU A 69 27.790 -14.590 -6.455 1.00 75.11 H new ATOM 0 HB3 LEU A 69 27.851 -13.279 -7.616 1.00 75.11 H new ATOM 0 HG LEU A 69 26.339 -12.812 -5.731 1.00 44.45 H new ATOM 0 HD11 LEU A 69 24.396 -12.086 -7.061 1.00 62.44 H new ATOM 0 HD12 LEU A 69 25.931 -11.748 -7.895 1.00 62.44 H new ATOM 0 HD13 LEU A 69 24.929 -13.129 -8.400 1.00 62.44 H new ATOM 0 HD21 LEU A 69 24.200 -14.021 -5.543 1.00 2.53 H new ATOM 0 HD22 LEU A 69 24.725 -15.140 -6.823 1.00 2.53 H new ATOM 0 HD23 LEU A 69 25.592 -15.096 -5.269 1.00 2.53 H new ATOM 1101 N CYS A 70 28.387 -13.810 -9.827 1.00 41.13 N ATOM 1102 CA CYS A 70 28.783 -13.149 -11.065 1.00 22.10 C ATOM 1103 C CYS A 70 30.294 -12.939 -11.110 1.00 61.41 C ATOM 1104 O CYS A 70 30.958 -13.335 -12.067 1.00 21.51 O ATOM 1105 CB CYS A 70 28.066 -11.804 -11.202 1.00 23.52 C ATOM 1106 SG CYS A 70 27.791 -10.944 -9.620 1.00 23.12 S ATOM 0 H CYS A 70 29.087 -13.771 -9.086 1.00 41.13 H new ATOM 0 HA CYS A 70 28.498 -13.792 -11.898 1.00 22.10 H new ATOM 0 HB2 CYS A 70 28.650 -11.158 -11.858 1.00 23.52 H new ATOM 0 HB3 CYS A 70 27.104 -11.965 -11.688 1.00 23.52 H new ATOM 1111 N GLY A 71 30.831 -12.313 -10.067 1.00 34.20 N ATOM 1112 CA GLY A 71 32.259 -12.062 -10.007 1.00 14.41 C ATOM 1113 C GLY A 71 32.726 -11.113 -11.093 1.00 65.51 C ATOM 1114 O GLY A 71 33.925 -10.989 -11.344 1.00 24.42 O ATOM 0 H GLY A 71 30.302 -11.975 -9.263 1.00 34.20 H new ATOM 0 HA2 GLY A 71 32.511 -11.646 -9.032 1.00 14.41 H new ATOM 0 HA3 GLY A 71 32.795 -13.007 -10.099 1.00 14.41 H new ATOM 1118 N ARG A 72 31.778 -10.444 -11.741 1.00 5.15 N ATOM 1119 CA ARG A 72 32.100 -9.504 -12.808 1.00 21.40 C ATOM 1120 C ARG A 72 32.608 -8.184 -12.236 1.00 24.44 C ATOM 1121 O ARG A 72 33.795 -7.871 -12.331 1.00 51.20 O ATOM 1122 CB ARG A 72 30.871 -9.253 -13.683 1.00 34.31 C ATOM 1123 CG ARG A 72 30.923 -9.964 -15.026 1.00 3.33 C ATOM 1124 CD ARG A 72 31.012 -8.974 -16.177 1.00 0.35 C ATOM 1125 NE ARG A 72 32.224 -8.162 -16.108 1.00 42.10 N ATOM 1126 CZ ARG A 72 32.515 -7.200 -16.977 1.00 72.42 C ATOM 1127 NH1 ARG A 72 31.685 -6.932 -17.976 1.00 12.44 N ATOM 1128 NH2 ARG A 72 33.638 -6.505 -16.848 1.00 74.14 N ATOM 0 H ARG A 72 30.781 -10.535 -11.546 1.00 5.15 H new ATOM 0 HA ARG A 72 32.889 -9.943 -13.418 1.00 21.40 H new ATOM 0 HB2 ARG A 72 29.980 -9.576 -13.145 1.00 34.31 H new ATOM 0 HB3 ARG A 72 30.769 -8.181 -13.853 1.00 34.31 H new ATOM 0 HG2 ARG A 72 31.784 -10.632 -15.052 1.00 3.33 H new ATOM 0 HG3 ARG A 72 30.034 -10.584 -15.146 1.00 3.33 H new ATOM 0 HD2 ARG A 72 30.992 -9.515 -17.123 1.00 0.35 H new ATOM 0 HD3 ARG A 72 30.138 -8.323 -16.163 1.00 0.35 H new ATOM 0 HE ARG A 72 32.883 -8.343 -15.351 1.00 42.10 H new ATOM 0 HH11 ARG A 72 30.821 -7.465 -18.078 1.00 12.44 H new ATOM 0 HH12 ARG A 72 31.910 -6.193 -18.642 1.00 12.44 H new ATOM 0 HH21 ARG A 72 34.279 -6.709 -16.081 1.00 74.14 H new ATOM 0 HH22 ARG A 72 33.860 -5.767 -17.516 1.00 74.14 H new ATOM 1142 N SER A 73 31.702 -7.415 -11.641 1.00 40.24 N ATOM 1143 CA SER A 73 32.057 -6.127 -11.057 1.00 44.24 C ATOM 1144 C SER A 73 31.911 -6.160 -9.539 1.00 50.32 C ATOM 1145 O SER A 73 31.123 -6.934 -8.997 1.00 53.23 O ATOM 1146 CB SER A 73 31.180 -5.018 -11.642 1.00 33.40 C ATOM 1147 OG SER A 73 31.847 -3.769 -11.609 1.00 40.31 O ATOM 0 H SER A 73 30.716 -7.662 -11.551 1.00 40.24 H new ATOM 0 HA SER A 73 33.100 -5.921 -11.300 1.00 44.24 H new ATOM 0 HB2 SER A 73 30.914 -5.265 -12.670 1.00 33.40 H new ATOM 0 HB3 SER A 73 30.249 -4.951 -11.079 1.00 33.40 H new ATOM 0 HG SER A 73 31.266 -3.078 -11.990 1.00 40.31 H new ATOM 1153 N ALA A 74 32.677 -5.313 -8.859 1.00 31.13 N ATOM 1154 CA ALA A 74 32.632 -5.243 -7.404 1.00 12.25 C ATOM 1155 C ALA A 74 31.199 -5.081 -6.906 1.00 25.22 C ATOM 1156 O ALA A 74 30.844 -5.580 -5.838 1.00 43.15 O ATOM 1157 CB ALA A 74 33.499 -4.097 -6.903 1.00 52.24 C ATOM 0 H ALA A 74 33.336 -4.666 -9.292 1.00 31.13 H new ATOM 0 HA ALA A 74 33.023 -6.180 -7.008 1.00 12.25 H new ATOM 0 HB1 ALA A 74 33.456 -4.057 -5.815 1.00 52.24 H new ATOM 0 HB2 ALA A 74 34.530 -4.255 -7.220 1.00 52.24 H new ATOM 0 HB3 ALA A 74 33.133 -3.157 -7.316 1.00 52.24 H new ATOM 1163 N GLU A 75 30.382 -4.381 -7.686 1.00 1.10 N ATOM 1164 CA GLU A 75 28.989 -4.153 -7.322 1.00 14.00 C ATOM 1165 C GLU A 75 28.051 -4.911 -8.257 1.00 50.04 C ATOM 1166 O GLU A 75 27.870 -4.532 -9.415 1.00 0.42 O ATOM 1167 CB GLU A 75 28.666 -2.658 -7.361 1.00 2.34 C ATOM 1168 CG GLU A 75 27.551 -2.251 -6.412 1.00 42.20 C ATOM 1169 CD GLU A 75 26.461 -1.453 -7.101 1.00 42.01 C ATOM 1170 OE1 GLU A 75 25.529 -2.074 -7.653 1.00 62.20 O ATOM 1171 OE2 GLU A 75 26.541 -0.207 -7.088 1.00 14.43 O ATOM 0 H GLU A 75 30.660 -3.962 -8.573 1.00 1.10 H new ATOM 0 HA GLU A 75 28.841 -4.523 -6.308 1.00 14.00 H new ATOM 0 HB2 GLU A 75 29.566 -2.094 -7.114 1.00 2.34 H new ATOM 0 HB3 GLU A 75 28.385 -2.382 -8.377 1.00 2.34 H new ATOM 0 HG2 GLU A 75 27.115 -3.145 -5.965 1.00 42.20 H new ATOM 0 HG3 GLU A 75 27.970 -1.660 -5.598 1.00 42.20 H new ATOM 1178 N CYS A 76 27.457 -5.985 -7.748 1.00 4.04 N ATOM 1179 CA CYS A 76 26.539 -6.798 -8.536 1.00 22.24 C ATOM 1180 C CYS A 76 25.112 -6.672 -8.010 1.00 2.41 C ATOM 1181 O CYS A 76 24.852 -6.899 -6.828 1.00 64.44 O ATOM 1182 CB CYS A 76 26.975 -8.265 -8.512 1.00 51.40 C ATOM 1183 SG CYS A 76 27.217 -8.995 -10.163 1.00 60.02 S ATOM 0 H CYS A 76 27.595 -6.313 -6.792 1.00 4.04 H new ATOM 0 HA CYS A 76 26.562 -6.435 -9.564 1.00 22.24 H new ATOM 0 HB2 CYS A 76 27.905 -8.347 -7.950 1.00 51.40 H new ATOM 0 HB3 CYS A 76 26.226 -8.847 -7.975 1.00 51.40 H new ATOM 1188 N SER A 77 24.191 -6.307 -8.896 1.00 61.12 N ATOM 1189 CA SER A 77 22.791 -6.147 -8.521 1.00 40.45 C ATOM 1190 C SER A 77 21.983 -7.385 -8.896 1.00 21.53 C ATOM 1191 O SER A 77 22.256 -8.036 -9.905 1.00 21.32 O ATOM 1192 CB SER A 77 22.197 -4.912 -9.202 1.00 43.21 C ATOM 1193 OG SER A 77 22.776 -4.705 -10.479 1.00 24.31 O ATOM 0 H SER A 77 24.389 -6.117 -9.878 1.00 61.12 H new ATOM 0 HA SER A 77 22.743 -6.017 -7.440 1.00 40.45 H new ATOM 0 HB2 SER A 77 21.118 -5.032 -9.304 1.00 43.21 H new ATOM 0 HB3 SER A 77 22.362 -4.034 -8.578 1.00 43.21 H new ATOM 0 HG SER A 77 22.378 -3.911 -10.894 1.00 24.31 H new ATOM 1199 N ILE A 78 20.988 -7.705 -8.075 1.00 52.04 N ATOM 1200 CA ILE A 78 20.139 -8.865 -8.320 1.00 42.51 C ATOM 1201 C ILE A 78 18.664 -8.504 -8.185 1.00 73.12 C ATOM 1202 O ILE A 78 18.283 -7.714 -7.321 1.00 51.30 O ATOM 1203 CB ILE A 78 20.466 -10.016 -7.350 1.00 54.34 C ATOM 1204 CG1 ILE A 78 21.937 -10.415 -7.476 1.00 22.51 C ATOM 1205 CG2 ILE A 78 19.562 -11.209 -7.622 1.00 31.13 C ATOM 1206 CD1 ILE A 78 22.796 -9.928 -6.330 1.00 34.03 C ATOM 0 H ILE A 78 20.750 -7.178 -7.235 1.00 52.04 H new ATOM 0 HA ILE A 78 20.338 -9.193 -9.340 1.00 42.51 H new ATOM 0 HB ILE A 78 20.288 -9.675 -6.330 1.00 54.34 H new ATOM 0 HG12 ILE A 78 22.007 -11.501 -7.535 1.00 22.51 H new ATOM 0 HG13 ILE A 78 22.334 -10.019 -8.411 1.00 22.51 H new ATOM 0 HG21 ILE A 78 19.804 -12.015 -6.929 1.00 31.13 H new ATOM 0 HG22 ILE A 78 18.521 -10.915 -7.487 1.00 31.13 H new ATOM 0 HG23 ILE A 78 19.712 -11.553 -8.645 1.00 31.13 H new ATOM 0 HD11 ILE A 78 23.826 -10.248 -6.486 1.00 34.03 H new ATOM 0 HD12 ILE A 78 22.757 -8.840 -6.283 1.00 34.03 H new ATOM 0 HD13 ILE A 78 22.425 -10.345 -5.394 1.00 34.03 H new ATOM 1218 N HIS A 79 17.836 -9.090 -9.044 1.00 71.44 N ATOM 1219 CA HIS A 79 16.400 -8.833 -9.020 1.00 4.01 C ATOM 1220 C HIS A 79 15.629 -10.093 -8.639 1.00 71.04 C ATOM 1221 O HIS A 79 15.984 -11.199 -9.050 1.00 54.35 O ATOM 1222 CB HIS A 79 15.929 -8.324 -10.382 1.00 71.24 C ATOM 1223 CG HIS A 79 16.803 -7.252 -10.957 1.00 11.03 C ATOM 1224 ND1 HIS A 79 17.624 -7.453 -12.046 1.00 72.32 N ATOM 1225 CD2 HIS A 79 16.980 -5.962 -10.587 1.00 40.14 C ATOM 1226 CE1 HIS A 79 18.269 -6.334 -12.321 1.00 63.01 C ATOM 1227 NE2 HIS A 79 17.896 -5.413 -11.451 1.00 21.22 N ATOM 0 H HIS A 79 18.135 -9.746 -9.766 1.00 71.44 H new ATOM 0 HA HIS A 79 16.205 -8.068 -8.268 1.00 4.01 H new ATOM 0 HB2 HIS A 79 15.889 -9.161 -11.079 1.00 71.24 H new ATOM 0 HB3 HIS A 79 14.913 -7.940 -10.286 1.00 71.24 H new ATOM 0 HD2 HIS A 79 16.492 -5.458 -9.766 1.00 40.14 H new ATOM 0 HE1 HIS A 79 18.981 -6.195 -13.121 1.00 63.01 H new ATOM 0 HE2 HIS A 79 18.233 -4.451 -11.425 1.00 21.22 H new ATOM 1235 N LEU A 80 14.573 -9.919 -7.852 1.00 24.22 N ATOM 1236 CA LEU A 80 13.752 -11.043 -7.415 1.00 15.52 C ATOM 1237 C LEU A 80 12.278 -10.651 -7.362 1.00 62.45 C ATOM 1238 O LEU A 80 11.943 -9.475 -7.228 1.00 44.14 O ATOM 1239 CB LEU A 80 14.210 -11.531 -6.040 1.00 24.31 C ATOM 1240 CG LEU A 80 13.401 -12.677 -5.430 1.00 43.33 C ATOM 1241 CD1 LEU A 80 14.295 -13.569 -4.583 1.00 73.41 C ATOM 1242 CD2 LEU A 80 12.248 -12.132 -4.601 1.00 33.24 C ATOM 0 H LEU A 80 14.265 -9.011 -7.504 1.00 24.22 H new ATOM 0 HA LEU A 80 13.870 -11.850 -8.138 1.00 15.52 H new ATOM 0 HB2 LEU A 80 15.250 -11.848 -6.117 1.00 24.31 H new ATOM 0 HB3 LEU A 80 14.184 -10.687 -5.350 1.00 24.31 H new ATOM 0 HG LEU A 80 12.988 -13.277 -6.240 1.00 43.33 H new ATOM 0 HD11 LEU A 80 13.702 -14.379 -4.157 1.00 73.41 H new ATOM 0 HD12 LEU A 80 15.086 -13.987 -5.205 1.00 73.41 H new ATOM 0 HD13 LEU A 80 14.738 -12.982 -3.779 1.00 73.41 H new ATOM 0 HD21 LEU A 80 11.683 -12.961 -4.174 1.00 33.24 H new ATOM 0 HD22 LEU A 80 12.640 -11.509 -3.797 1.00 33.24 H new ATOM 0 HD23 LEU A 80 11.593 -11.535 -5.236 1.00 33.24 H new ATOM 1254 N GLU A 81 11.403 -11.646 -7.467 1.00 72.41 N ATOM 1255 CA GLU A 81 9.965 -11.405 -7.430 1.00 22.30 C ATOM 1256 C GLU A 81 9.290 -12.298 -6.392 1.00 45.50 C ATOM 1257 O GLU A 81 9.277 -13.521 -6.524 1.00 33.51 O ATOM 1258 CB GLU A 81 9.349 -11.652 -8.809 1.00 14.35 C ATOM 1259 CG GLU A 81 9.839 -12.926 -9.476 1.00 10.32 C ATOM 1260 CD GLU A 81 9.110 -13.224 -10.771 1.00 53.44 C ATOM 1261 OE1 GLU A 81 9.394 -12.545 -11.781 1.00 33.12 O ATOM 1262 OE2 GLU A 81 8.255 -14.134 -10.776 1.00 64.22 O ATOM 0 H GLU A 81 11.664 -12.626 -7.578 1.00 72.41 H new ATOM 0 HA GLU A 81 9.804 -10.364 -7.149 1.00 22.30 H new ATOM 0 HB2 GLU A 81 8.264 -11.698 -8.710 1.00 14.35 H new ATOM 0 HB3 GLU A 81 9.574 -10.804 -9.455 1.00 14.35 H new ATOM 0 HG2 GLU A 81 10.907 -12.839 -9.676 1.00 10.32 H new ATOM 0 HG3 GLU A 81 9.710 -13.763 -8.790 1.00 10.32 H new ATOM 1269 N VAL A 82 8.732 -11.675 -5.359 1.00 31.23 N ATOM 1270 CA VAL A 82 8.055 -12.411 -4.298 1.00 31.41 C ATOM 1271 C VAL A 82 6.569 -12.569 -4.600 1.00 70.14 C ATOM 1272 O VAL A 82 5.807 -11.604 -4.540 1.00 1.34 O ATOM 1273 CB VAL A 82 8.219 -11.711 -2.936 1.00 13.01 C ATOM 1274 CG1 VAL A 82 7.838 -12.651 -1.803 1.00 32.25 C ATOM 1275 CG2 VAL A 82 9.644 -11.206 -2.765 1.00 35.32 C ATOM 0 H VAL A 82 8.735 -10.663 -5.234 1.00 31.23 H new ATOM 0 HA VAL A 82 8.520 -13.396 -4.250 1.00 31.41 H new ATOM 0 HB VAL A 82 7.548 -10.853 -2.905 1.00 13.01 H new ATOM 0 HG11 VAL A 82 7.960 -12.139 -0.849 1.00 32.25 H new ATOM 0 HG12 VAL A 82 6.799 -12.958 -1.919 1.00 32.25 H new ATOM 0 HG13 VAL A 82 8.482 -13.530 -1.828 1.00 32.25 H new ATOM 0 HG21 VAL A 82 9.742 -10.714 -1.797 1.00 35.32 H new ATOM 0 HG22 VAL A 82 10.336 -12.046 -2.817 1.00 35.32 H new ATOM 0 HG23 VAL A 82 9.876 -10.495 -3.558 1.00 35.32 H new ATOM 1285 N ILE A 83 6.164 -13.792 -4.926 1.00 13.11 N ATOM 1286 CA ILE A 83 4.768 -14.076 -5.236 1.00 62.32 C ATOM 1287 C ILE A 83 3.970 -14.359 -3.968 1.00 73.43 C ATOM 1288 O ILE A 83 4.424 -15.086 -3.085 1.00 21.32 O ATOM 1289 CB ILE A 83 4.637 -15.278 -6.191 1.00 4.22 C ATOM 1290 CG1 ILE A 83 3.163 -15.613 -6.424 1.00 71.33 C ATOM 1291 CG2 ILE A 83 5.378 -16.483 -5.630 1.00 40.32 C ATOM 1292 CD1 ILE A 83 2.635 -16.690 -5.503 1.00 30.34 C ATOM 0 H ILE A 83 6.782 -14.601 -4.982 1.00 13.11 H new ATOM 0 HA ILE A 83 4.366 -13.188 -5.725 1.00 62.32 H new ATOM 0 HB ILE A 83 5.086 -15.014 -7.149 1.00 4.22 H new ATOM 0 HG12 ILE A 83 2.568 -14.709 -6.291 1.00 71.33 H new ATOM 0 HG13 ILE A 83 3.031 -15.933 -7.457 1.00 71.33 H new ATOM 0 HG21 ILE A 83 5.276 -17.324 -6.316 1.00 40.32 H new ATOM 0 HG22 ILE A 83 6.433 -16.238 -5.510 1.00 40.32 H new ATOM 0 HG23 ILE A 83 4.956 -16.751 -4.662 1.00 40.32 H new ATOM 0 HD11 ILE A 83 1.584 -16.876 -5.725 1.00 30.34 H new ATOM 0 HD12 ILE A 83 3.205 -17.607 -5.652 1.00 30.34 H new ATOM 0 HD13 ILE A 83 2.735 -16.364 -4.468 1.00 30.34 H new ATOM 1304 N VAL A 84 2.776 -13.781 -3.886 1.00 75.31 N ATOM 1305 CA VAL A 84 1.911 -13.973 -2.728 1.00 22.42 C ATOM 1306 C VAL A 84 0.451 -14.097 -3.146 1.00 55.14 C ATOM 1307 O VAL A 84 -0.013 -13.386 -4.038 1.00 44.42 O ATOM 1308 CB VAL A 84 2.050 -12.813 -1.725 1.00 42.51 C ATOM 1309 CG1 VAL A 84 3.448 -12.788 -1.127 1.00 4.12 C ATOM 1310 CG2 VAL A 84 1.725 -11.487 -2.397 1.00 45.01 C ATOM 0 H VAL A 84 2.385 -13.176 -4.608 1.00 75.31 H new ATOM 0 HA VAL A 84 2.227 -14.899 -2.247 1.00 22.42 H new ATOM 0 HB VAL A 84 1.338 -12.969 -0.915 1.00 42.51 H new ATOM 0 HG11 VAL A 84 3.527 -11.962 -0.421 1.00 4.12 H new ATOM 0 HG12 VAL A 84 3.639 -13.728 -0.609 1.00 4.12 H new ATOM 0 HG13 VAL A 84 4.182 -12.657 -1.922 1.00 4.12 H new ATOM 0 HG21 VAL A 84 1.828 -10.678 -1.674 1.00 45.01 H new ATOM 0 HG22 VAL A 84 2.412 -11.322 -3.227 1.00 45.01 H new ATOM 0 HG23 VAL A 84 0.702 -11.510 -2.772 1.00 45.01 H new ATOM 1320 N ASP A 85 -0.271 -15.004 -2.497 1.00 4.23 N ATOM 1321 CA ASP A 85 -1.681 -15.220 -2.800 1.00 4.10 C ATOM 1322 C ASP A 85 -2.563 -14.751 -1.647 1.00 5.20 C ATOM 1323 O ASP A 85 -2.496 -15.290 -0.542 1.00 64.03 O ATOM 1324 CB ASP A 85 -1.941 -16.699 -3.089 1.00 32.13 C ATOM 1325 CG ASP A 85 -2.736 -16.909 -4.362 1.00 52.04 C ATOM 1326 OD1 ASP A 85 -3.960 -16.661 -4.346 1.00 33.31 O ATOM 1327 OD2 ASP A 85 -2.134 -17.320 -5.376 1.00 71.11 O ATOM 0 H ASP A 85 0.097 -15.602 -1.757 1.00 4.23 H new ATOM 0 HA ASP A 85 -1.931 -14.635 -3.685 1.00 4.10 H new ATOM 0 HB2 ASP A 85 -0.989 -17.224 -3.168 1.00 32.13 H new ATOM 0 HB3 ASP A 85 -2.480 -17.141 -2.251 1.00 32.13 H new ATOM 1332 N ARG A 86 -3.387 -13.743 -1.912 1.00 34.02 N ATOM 1333 CA ARG A 86 -4.281 -13.200 -0.896 1.00 3.22 C ATOM 1334 C ARG A 86 -3.490 -12.492 0.201 1.00 53.33 C ATOM 1335 O ARG A 86 -3.216 -13.051 1.262 1.00 31.55 O ATOM 1336 CB ARG A 86 -5.133 -14.315 -0.286 1.00 45.23 C ATOM 1337 CG ARG A 86 -6.541 -13.875 0.078 1.00 31.13 C ATOM 1338 CD ARG A 86 -7.121 -14.732 1.193 1.00 51.40 C ATOM 1339 NE ARG A 86 -8.544 -14.474 1.397 1.00 1.35 N ATOM 1340 CZ ARG A 86 -9.012 -13.439 2.086 1.00 4.43 C ATOM 1341 NH1 ARG A 86 -8.174 -12.569 2.634 1.00 65.15 N ATOM 1342 NH2 ARG A 86 -10.320 -13.272 2.229 1.00 53.55 N ATOM 0 H ARG A 86 -3.454 -13.286 -2.821 1.00 34.02 H new ATOM 0 HA ARG A 86 -4.936 -12.473 -1.376 1.00 3.22 H new ATOM 0 HB2 ARG A 86 -5.191 -15.144 -0.992 1.00 45.23 H new ATOM 0 HB3 ARG A 86 -4.637 -14.692 0.608 1.00 45.23 H new ATOM 0 HG2 ARG A 86 -6.528 -12.831 0.389 1.00 31.13 H new ATOM 0 HG3 ARG A 86 -7.182 -13.937 -0.801 1.00 31.13 H new ATOM 0 HD2 ARG A 86 -6.974 -15.785 0.955 1.00 51.40 H new ATOM 0 HD3 ARG A 86 -6.581 -14.536 2.119 1.00 51.40 H new ATOM 0 HE ARG A 86 -9.215 -15.124 0.988 1.00 1.35 H new ATOM 0 HH11 ARG A 86 -7.167 -12.694 2.527 1.00 65.15 H new ATOM 0 HH12 ARG A 86 -8.536 -11.775 3.162 1.00 65.15 H new ATOM 0 HH21 ARG A 86 -10.968 -13.939 1.810 1.00 53.55 H new ATOM 0 HH22 ARG A 86 -10.678 -12.477 2.758 1.00 53.55 H new ATOM 1356 N PRO A 87 -3.114 -11.231 -0.061 1.00 33.04 N ATOM 1357 CA PRO A 87 -3.434 -10.555 -1.321 1.00 54.41 C ATOM 1358 C PRO A 87 -2.663 -11.133 -2.502 1.00 24.41 C ATOM 1359 O PRO A 87 -1.590 -11.714 -2.331 1.00 20.51 O ATOM 1360 CB PRO A 87 -3.011 -9.106 -1.064 1.00 31.21 C ATOM 1361 CG PRO A 87 -1.963 -9.200 -0.009 1.00 41.54 C ATOM 1362 CD PRO A 87 -2.347 -10.369 0.854 1.00 31.01 C ATOM 0 HA PRO A 87 -4.485 -10.666 -1.587 1.00 54.41 H new ATOM 0 HB2 PRO A 87 -2.621 -8.641 -1.969 1.00 31.21 H new ATOM 0 HB3 PRO A 87 -3.854 -8.500 -0.732 1.00 31.21 H new ATOM 0 HG2 PRO A 87 -0.977 -9.348 -0.450 1.00 41.54 H new ATOM 0 HG3 PRO A 87 -1.915 -8.282 0.577 1.00 41.54 H new ATOM 0 HD2 PRO A 87 -1.470 -10.882 1.249 1.00 31.01 H new ATOM 0 HD3 PRO A 87 -2.946 -10.057 1.709 1.00 31.01 H new ATOM 1370 N LEU A 88 -3.214 -10.971 -3.700 1.00 22.24 N ATOM 1371 CA LEU A 88 -2.576 -11.477 -4.910 1.00 73.52 C ATOM 1372 C LEU A 88 -1.754 -10.387 -5.589 1.00 61.14 C ATOM 1373 O LEU A 88 -2.304 -9.430 -6.132 1.00 52.52 O ATOM 1374 CB LEU A 88 -3.631 -12.015 -5.879 1.00 51.31 C ATOM 1375 CG LEU A 88 -3.147 -13.057 -6.888 1.00 1.20 C ATOM 1376 CD1 LEU A 88 -2.453 -14.207 -6.176 1.00 20.44 C ATOM 1377 CD2 LEU A 88 -4.310 -13.569 -7.725 1.00 63.12 C ATOM 0 H LEU A 88 -4.101 -10.493 -3.859 1.00 22.24 H new ATOM 0 HA LEU A 88 -1.905 -12.288 -4.626 1.00 73.52 H new ATOM 0 HB2 LEU A 88 -4.441 -12.452 -5.296 1.00 51.31 H new ATOM 0 HB3 LEU A 88 -4.052 -11.174 -6.429 1.00 51.31 H new ATOM 0 HG LEU A 88 -2.427 -12.582 -7.555 1.00 1.20 H new ATOM 0 HD11 LEU A 88 -2.115 -14.939 -6.910 1.00 20.44 H new ATOM 0 HD12 LEU A 88 -1.595 -13.827 -5.621 1.00 20.44 H new ATOM 0 HD13 LEU A 88 -3.150 -14.681 -5.485 1.00 20.44 H new ATOM 0 HD21 LEU A 88 -3.947 -14.310 -8.438 1.00 63.12 H new ATOM 0 HD22 LEU A 88 -5.054 -14.027 -7.073 1.00 63.12 H new ATOM 0 HD23 LEU A 88 -4.763 -12.738 -8.265 1.00 63.12 H new ATOM 1389 N GLN A 89 -0.434 -10.541 -5.556 1.00 72.22 N ATOM 1390 CA GLN A 89 0.464 -9.570 -6.170 1.00 75.03 C ATOM 1391 C GLN A 89 1.920 -9.988 -5.994 1.00 52.43 C ATOM 1392 O GLN A 89 2.209 -11.060 -5.463 1.00 42.14 O ATOM 1393 CB GLN A 89 0.241 -8.184 -5.563 1.00 42.44 C ATOM 1394 CG GLN A 89 0.214 -8.182 -4.044 1.00 32.05 C ATOM 1395 CD GLN A 89 0.430 -6.801 -3.457 1.00 51.24 C ATOM 1396 OE1 GLN A 89 1.037 -5.934 -4.087 1.00 63.54 O ATOM 1397 NE2 GLN A 89 -0.068 -6.587 -2.245 1.00 24.42 N ATOM 0 H GLN A 89 0.037 -11.329 -5.111 1.00 72.22 H new ATOM 0 HA GLN A 89 0.243 -9.531 -7.237 1.00 75.03 H new ATOM 0 HB2 GLN A 89 1.031 -7.516 -5.905 1.00 42.44 H new ATOM 0 HB3 GLN A 89 -0.701 -7.781 -5.935 1.00 42.44 H new ATOM 0 HG2 GLN A 89 -0.744 -8.572 -3.701 1.00 32.05 H new ATOM 0 HG3 GLN A 89 0.985 -8.856 -3.670 1.00 32.05 H new ATOM 0 HE21 GLN A 89 -0.564 -7.334 -1.758 1.00 24.42 H new ATOM 0 HE22 GLN A 89 0.046 -5.676 -1.801 1.00 24.42 H new ATOM 1406 N VAL A 90 2.834 -9.133 -6.444 1.00 33.31 N ATOM 1407 CA VAL A 90 4.260 -9.413 -6.335 1.00 65.14 C ATOM 1408 C VAL A 90 4.995 -8.264 -5.654 1.00 65.31 C ATOM 1409 O VAL A 90 4.532 -7.124 -5.665 1.00 3.45 O ATOM 1410 CB VAL A 90 4.890 -9.662 -7.719 1.00 23.43 C ATOM 1411 CG1 VAL A 90 6.285 -10.252 -7.572 1.00 73.22 C ATOM 1412 CG2 VAL A 90 4.002 -10.574 -8.552 1.00 13.33 C ATOM 0 H VAL A 90 2.612 -8.242 -6.887 1.00 33.31 H new ATOM 0 HA VAL A 90 4.361 -10.314 -5.730 1.00 65.14 H new ATOM 0 HB VAL A 90 4.978 -8.707 -8.236 1.00 23.43 H new ATOM 0 HG11 VAL A 90 6.714 -10.421 -8.559 1.00 73.22 H new ATOM 0 HG12 VAL A 90 6.916 -9.559 -7.016 1.00 73.22 H new ATOM 0 HG13 VAL A 90 6.225 -11.199 -7.035 1.00 73.22 H new ATOM 0 HG21 VAL A 90 4.462 -10.739 -9.526 1.00 13.33 H new ATOM 0 HG22 VAL A 90 3.881 -11.529 -8.041 1.00 13.33 H new ATOM 0 HG23 VAL A 90 3.026 -10.108 -8.686 1.00 13.33 H new ATOM 1422 N PHE A 91 6.145 -8.573 -5.062 1.00 53.42 N ATOM 1423 CA PHE A 91 6.945 -7.566 -4.375 1.00 11.22 C ATOM 1424 C PHE A 91 8.321 -7.432 -5.020 1.00 3.23 C ATOM 1425 O PHE A 91 9.066 -8.406 -5.128 1.00 24.34 O ATOM 1426 CB PHE A 91 7.095 -7.926 -2.895 1.00 42.04 C ATOM 1427 CG PHE A 91 5.785 -8.038 -2.169 1.00 40.45 C ATOM 1428 CD1 PHE A 91 4.952 -6.938 -2.044 1.00 12.33 C ATOM 1429 CD2 PHE A 91 5.386 -9.242 -1.613 1.00 64.43 C ATOM 1430 CE1 PHE A 91 3.746 -7.038 -1.376 1.00 1.45 C ATOM 1431 CE2 PHE A 91 4.182 -9.348 -0.944 1.00 75.43 C ATOM 1432 CZ PHE A 91 3.360 -8.245 -0.826 1.00 51.43 C ATOM 0 H PHE A 91 6.543 -9.512 -5.045 1.00 53.42 H new ATOM 0 HA PHE A 91 6.430 -6.609 -4.458 1.00 11.22 H new ATOM 0 HB2 PHE A 91 7.629 -8.872 -2.812 1.00 42.04 H new ATOM 0 HB3 PHE A 91 7.709 -7.170 -2.406 1.00 42.04 H new ATOM 0 HD1 PHE A 91 5.248 -5.992 -2.473 1.00 12.33 H new ATOM 0 HD2 PHE A 91 6.024 -10.109 -1.704 1.00 64.43 H new ATOM 0 HE1 PHE A 91 3.106 -6.173 -1.284 1.00 1.45 H new ATOM 0 HE2 PHE A 91 3.884 -10.293 -0.514 1.00 75.43 H new ATOM 0 HZ PHE A 91 2.417 -8.326 -0.305 1.00 51.43 H new ATOM 1442 N HIS A 92 8.652 -6.217 -5.448 1.00 21.54 N ATOM 1443 CA HIS A 92 9.939 -5.955 -6.082 1.00 52.33 C ATOM 1444 C HIS A 92 11.076 -6.070 -5.072 1.00 44.41 C ATOM 1445 O HIS A 92 11.193 -5.254 -4.157 1.00 74.21 O ATOM 1446 CB HIS A 92 9.944 -4.564 -6.717 1.00 54.22 C ATOM 1447 CG HIS A 92 10.314 -4.569 -8.168 1.00 71.14 C ATOM 1448 ND1 HIS A 92 11.422 -3.916 -8.665 1.00 1.43 N ATOM 1449 CD2 HIS A 92 9.717 -5.155 -9.232 1.00 72.34 C ATOM 1450 CE1 HIS A 92 11.490 -4.098 -9.971 1.00 55.04 C ATOM 1451 NE2 HIS A 92 10.467 -4.847 -10.341 1.00 35.31 N ATOM 0 H HIS A 92 8.047 -5.400 -5.367 1.00 21.54 H new ATOM 0 HA HIS A 92 10.092 -6.703 -6.860 1.00 52.33 H new ATOM 0 HB2 HIS A 92 8.956 -4.119 -6.604 1.00 54.22 H new ATOM 0 HB3 HIS A 92 10.644 -3.928 -6.174 1.00 54.22 H new ATOM 0 HD2 HIS A 92 8.818 -5.753 -9.213 1.00 72.34 H new ATOM 0 HE1 HIS A 92 12.252 -3.702 -10.625 1.00 55.04 H new ATOM 0 HE2 HIS A 92 10.266 -5.148 -11.295 1.00 35.31 H new ATOM 1459 N VAL A 93 11.913 -7.088 -5.244 1.00 3.03 N ATOM 1460 CA VAL A 93 13.042 -7.309 -4.348 1.00 31.55 C ATOM 1461 C VAL A 93 14.367 -7.160 -5.086 1.00 24.42 C ATOM 1462 O VAL A 93 14.560 -7.734 -6.157 1.00 54.24 O ATOM 1463 CB VAL A 93 12.980 -8.707 -3.702 1.00 44.25 C ATOM 1464 CG1 VAL A 93 14.260 -8.996 -2.933 1.00 30.53 C ATOM 1465 CG2 VAL A 93 11.765 -8.821 -2.795 1.00 30.22 C ATOM 0 H VAL A 93 11.831 -7.773 -5.996 1.00 3.03 H new ATOM 0 HA VAL A 93 12.979 -6.552 -3.566 1.00 31.55 H new ATOM 0 HB VAL A 93 12.884 -9.451 -4.493 1.00 44.25 H new ATOM 0 HG11 VAL A 93 14.199 -9.987 -2.484 1.00 30.53 H new ATOM 0 HG12 VAL A 93 15.110 -8.959 -3.614 1.00 30.53 H new ATOM 0 HG13 VAL A 93 14.390 -8.250 -2.149 1.00 30.53 H new ATOM 0 HG21 VAL A 93 11.737 -9.814 -2.347 1.00 30.22 H new ATOM 0 HG22 VAL A 93 11.827 -8.070 -2.008 1.00 30.22 H new ATOM 0 HG23 VAL A 93 10.859 -8.661 -3.379 1.00 30.22 H new ATOM 1475 N GLU A 94 15.279 -6.387 -4.504 1.00 53.32 N ATOM 1476 CA GLU A 94 16.587 -6.162 -5.108 1.00 71.40 C ATOM 1477 C GLU A 94 17.698 -6.326 -4.075 1.00 61.11 C ATOM 1478 O GLU A 94 17.821 -5.527 -3.147 1.00 43.41 O ATOM 1479 CB GLU A 94 16.654 -4.765 -5.728 1.00 61.34 C ATOM 1480 CG GLU A 94 17.539 -4.689 -6.961 1.00 51.33 C ATOM 1481 CD GLU A 94 17.230 -3.482 -7.827 1.00 22.52 C ATOM 1482 OE1 GLU A 94 16.302 -2.723 -7.478 1.00 61.34 O ATOM 1483 OE2 GLU A 94 17.918 -3.298 -8.853 1.00 52.01 O ATOM 0 H GLU A 94 15.136 -5.907 -3.616 1.00 53.32 H new ATOM 0 HA GLU A 94 16.730 -6.906 -5.892 1.00 71.40 H new ATOM 0 HB2 GLU A 94 15.646 -4.446 -5.994 1.00 61.34 H new ATOM 0 HB3 GLU A 94 17.024 -4.062 -4.981 1.00 61.34 H new ATOM 0 HG2 GLU A 94 18.584 -4.652 -6.652 1.00 51.33 H new ATOM 0 HG3 GLU A 94 17.413 -5.597 -7.551 1.00 51.33 H new ATOM 1490 N VAL A 95 18.505 -7.369 -4.243 1.00 42.01 N ATOM 1491 CA VAL A 95 19.607 -7.639 -3.327 1.00 12.42 C ATOM 1492 C VAL A 95 20.953 -7.375 -3.993 1.00 14.13 C ATOM 1493 O VAL A 95 21.217 -7.859 -5.093 1.00 32.03 O ATOM 1494 CB VAL A 95 19.573 -9.093 -2.821 1.00 11.01 C ATOM 1495 CG1 VAL A 95 18.328 -9.338 -1.981 1.00 44.43 C ATOM 1496 CG2 VAL A 95 19.637 -10.065 -3.990 1.00 1.34 C ATOM 0 H VAL A 95 18.416 -8.041 -5.005 1.00 42.01 H new ATOM 0 HA VAL A 95 19.486 -6.965 -2.479 1.00 12.42 H new ATOM 0 HB VAL A 95 20.446 -9.260 -2.190 1.00 11.01 H new ATOM 0 HG11 VAL A 95 18.322 -10.371 -1.632 1.00 44.43 H new ATOM 0 HG12 VAL A 95 18.330 -8.666 -1.123 1.00 44.43 H new ATOM 0 HG13 VAL A 95 17.440 -9.153 -2.585 1.00 44.43 H new ATOM 0 HG21 VAL A 95 19.612 -11.088 -3.614 1.00 1.34 H new ATOM 0 HG22 VAL A 95 18.784 -9.899 -4.648 1.00 1.34 H new ATOM 0 HG23 VAL A 95 20.561 -9.905 -4.546 1.00 1.34 H new ATOM 1506 N GLU A 96 21.800 -6.604 -3.318 1.00 31.43 N ATOM 1507 CA GLU A 96 23.119 -6.276 -3.845 1.00 62.31 C ATOM 1508 C GLU A 96 24.215 -6.960 -3.033 1.00 63.21 C ATOM 1509 O GLU A 96 24.027 -7.277 -1.859 1.00 22.44 O ATOM 1510 CB GLU A 96 23.334 -4.761 -3.838 1.00 35.35 C ATOM 1511 CG GLU A 96 23.659 -4.186 -5.206 1.00 11.34 C ATOM 1512 CD GLU A 96 23.987 -2.706 -5.153 1.00 71.20 C ATOM 1513 OE1 GLU A 96 25.084 -2.358 -4.669 1.00 13.24 O ATOM 1514 OE2 GLU A 96 23.146 -1.897 -5.597 1.00 52.40 O ATOM 0 H GLU A 96 21.596 -6.195 -2.406 1.00 31.43 H new ATOM 0 HA GLU A 96 23.172 -6.638 -4.872 1.00 62.31 H new ATOM 0 HB2 GLU A 96 22.436 -4.277 -3.454 1.00 35.35 H new ATOM 0 HB3 GLU A 96 24.145 -4.521 -3.150 1.00 35.35 H new ATOM 0 HG2 GLU A 96 24.504 -4.727 -5.632 1.00 11.34 H new ATOM 0 HG3 GLU A 96 22.811 -4.343 -5.873 1.00 11.34 H new ATOM 1521 N VAL A 97 25.361 -7.185 -3.668 1.00 62.03 N ATOM 1522 CA VAL A 97 26.488 -7.831 -3.006 1.00 44.51 C ATOM 1523 C VAL A 97 27.554 -6.812 -2.618 1.00 24.12 C ATOM 1524 O VAL A 97 27.990 -6.009 -3.443 1.00 61.21 O ATOM 1525 CB VAL A 97 27.126 -8.907 -3.905 1.00 33.15 C ATOM 1526 CG1 VAL A 97 26.267 -10.163 -3.925 1.00 2.34 C ATOM 1527 CG2 VAL A 97 27.333 -8.371 -5.313 1.00 2.32 C ATOM 0 H VAL A 97 25.533 -6.929 -4.640 1.00 62.03 H new ATOM 0 HA VAL A 97 26.097 -8.305 -2.106 1.00 44.51 H new ATOM 0 HB VAL A 97 28.101 -9.168 -3.494 1.00 33.15 H new ATOM 0 HG11 VAL A 97 26.733 -10.912 -4.565 1.00 2.34 H new ATOM 0 HG12 VAL A 97 26.175 -10.557 -2.913 1.00 2.34 H new ATOM 0 HG13 VAL A 97 25.277 -9.921 -4.312 1.00 2.34 H new ATOM 0 HG21 VAL A 97 27.785 -9.145 -5.934 1.00 2.32 H new ATOM 0 HG22 VAL A 97 26.372 -8.081 -5.737 1.00 2.32 H new ATOM 0 HG23 VAL A 97 27.991 -7.503 -5.279 1.00 2.32 H new ATOM 1537 N ARG A 98 27.971 -6.851 -1.356 1.00 73.23 N ATOM 1538 CA ARG A 98 28.986 -5.931 -0.858 1.00 32.01 C ATOM 1539 C ARG A 98 30.365 -6.584 -0.872 1.00 10.44 C ATOM 1540 O ARG A 98 30.620 -7.534 -0.132 1.00 62.43 O ATOM 1541 CB ARG A 98 28.639 -5.476 0.561 1.00 43.42 C ATOM 1542 CG ARG A 98 29.636 -4.487 1.144 1.00 70.23 C ATOM 1543 CD ARG A 98 29.290 -4.129 2.581 1.00 60.14 C ATOM 1544 NE ARG A 98 30.412 -4.359 3.487 1.00 34.12 N ATOM 1545 CZ ARG A 98 30.472 -3.870 4.721 1.00 51.44 C ATOM 1546 NH1 ARG A 98 29.480 -3.127 5.192 1.00 34.31 N ATOM 1547 NH2 ARG A 98 31.526 -4.123 5.485 1.00 2.05 N ATOM 0 H ARG A 98 27.621 -7.510 -0.660 1.00 73.23 H new ATOM 0 HA ARG A 98 29.008 -5.062 -1.516 1.00 32.01 H new ATOM 0 HB2 ARG A 98 27.649 -5.020 0.556 1.00 43.42 H new ATOM 0 HB3 ARG A 98 28.584 -6.350 1.211 1.00 43.42 H new ATOM 0 HG2 ARG A 98 30.638 -4.914 1.105 1.00 70.23 H new ATOM 0 HG3 ARG A 98 29.651 -3.582 0.536 1.00 70.23 H new ATOM 0 HD2 ARG A 98 28.991 -3.082 2.632 1.00 60.14 H new ATOM 0 HD3 ARG A 98 28.434 -4.721 2.906 1.00 60.14 H new ATOM 0 HE ARG A 98 31.192 -4.926 3.154 1.00 34.12 H new ATOM 0 HH11 ARG A 98 28.668 -2.930 4.607 1.00 34.31 H new ATOM 0 HH12 ARG A 98 29.529 -2.753 6.140 1.00 34.31 H new ATOM 0 HH21 ARG A 98 32.291 -4.693 5.125 1.00 2.05 H new ATOM 0 HH22 ARG A 98 31.571 -3.747 6.432 1.00 2.05 H new ATOM 1561 N ASP A 99 31.250 -6.067 -1.717 1.00 52.10 N ATOM 1562 CA ASP A 99 32.603 -6.599 -1.827 1.00 3.41 C ATOM 1563 C ASP A 99 33.411 -5.819 -2.860 1.00 21.02 C ATOM 1564 O ASP A 99 32.961 -4.791 -3.367 1.00 2.03 O ATOM 1565 CB ASP A 99 32.563 -8.080 -2.205 1.00 20.01 C ATOM 1566 CG ASP A 99 33.233 -8.960 -1.169 1.00 22.45 C ATOM 1567 OD1 ASP A 99 32.602 -9.238 -0.127 1.00 53.32 O ATOM 1568 OD2 ASP A 99 34.389 -9.373 -1.399 1.00 51.11 O ATOM 0 H ASP A 99 31.055 -5.280 -2.336 1.00 52.10 H new ATOM 0 HA ASP A 99 33.088 -6.493 -0.857 1.00 3.41 H new ATOM 0 HB2 ASP A 99 31.526 -8.393 -2.327 1.00 20.01 H new ATOM 0 HB3 ASP A 99 33.054 -8.220 -3.168 1.00 20.01 H new ATOM 1573 N ILE A 100 34.605 -6.314 -3.166 1.00 24.42 N ATOM 1574 CA ILE A 100 35.475 -5.664 -4.138 1.00 24.22 C ATOM 1575 C ILE A 100 35.871 -6.627 -5.252 1.00 62.10 C ATOM 1576 O ILE A 100 35.845 -7.844 -5.073 1.00 2.21 O ATOM 1577 CB ILE A 100 36.751 -5.114 -3.473 1.00 30.34 C ATOM 1578 CG1 ILE A 100 37.442 -6.211 -2.659 1.00 74.15 C ATOM 1579 CG2 ILE A 100 36.416 -3.923 -2.588 1.00 35.02 C ATOM 1580 CD1 ILE A 100 38.720 -5.754 -1.991 1.00 75.05 C ATOM 0 H ILE A 100 34.992 -7.163 -2.755 1.00 24.42 H new ATOM 0 HA ILE A 100 34.909 -4.834 -4.562 1.00 24.22 H new ATOM 0 HB ILE A 100 37.435 -4.781 -4.254 1.00 30.34 H new ATOM 0 HG12 ILE A 100 36.753 -6.575 -1.897 1.00 74.15 H new ATOM 0 HG13 ILE A 100 37.665 -7.053 -3.315 1.00 74.15 H new ATOM 0 HG21 ILE A 100 37.328 -3.546 -2.125 1.00 35.02 H new ATOM 0 HG22 ILE A 100 35.963 -3.137 -3.192 1.00 35.02 H new ATOM 0 HG23 ILE A 100 35.716 -4.232 -1.812 1.00 35.02 H new ATOM 0 HD11 ILE A 100 39.155 -6.583 -1.432 1.00 75.05 H new ATOM 0 HD12 ILE A 100 39.427 -5.417 -2.749 1.00 75.05 H new ATOM 0 HD13 ILE A 100 38.501 -4.932 -1.309 1.00 75.05 H new ATOM 1592 N ASN A 101 36.239 -6.073 -6.403 1.00 3.13 N ATOM 1593 CA ASN A 101 36.642 -6.883 -7.547 1.00 4.34 C ATOM 1594 C ASN A 101 38.020 -7.497 -7.320 1.00 22.34 C ATOM 1595 O ASN A 101 38.348 -8.539 -7.887 1.00 74.43 O ATOM 1596 CB ASN A 101 36.654 -6.034 -8.820 1.00 34.31 C ATOM 1597 CG ASN A 101 36.409 -6.861 -10.068 1.00 4.14 C ATOM 1598 OD1 ASN A 101 36.158 -8.064 -9.990 1.00 1.45 O ATOM 1599 ND2 ASN A 101 36.483 -6.218 -11.227 1.00 52.30 N ATOM 0 H ASN A 101 36.266 -5.067 -6.568 1.00 3.13 H new ATOM 0 HA ASN A 101 35.918 -7.690 -7.662 1.00 4.34 H new ATOM 0 HB2 ASN A 101 35.890 -5.260 -8.745 1.00 34.31 H new ATOM 0 HB3 ASN A 101 37.615 -5.527 -8.906 1.00 34.31 H new ATOM 0 HD21 ASN A 101 36.329 -6.722 -12.100 1.00 52.30 H new ATOM 0 HD22 ASN A 101 36.694 -5.220 -11.244 1.00 52.30 H new ATOM 1606 N ASP A 102 38.823 -6.845 -6.486 1.00 14.03 N ATOM 1607 CA ASP A 102 40.165 -7.328 -6.182 1.00 13.45 C ATOM 1608 C ASP A 102 40.170 -8.142 -4.892 1.00 31.51 C ATOM 1609 O ASP A 102 41.171 -8.186 -4.178 1.00 33.11 O ATOM 1610 CB ASP A 102 41.137 -6.153 -6.061 1.00 61.23 C ATOM 1611 CG ASP A 102 42.575 -6.564 -6.311 1.00 52.03 C ATOM 1612 OD1 ASP A 102 42.980 -6.618 -7.491 1.00 43.25 O ATOM 1613 OD2 ASP A 102 43.295 -6.831 -5.327 1.00 11.12 O ATOM 0 H ASP A 102 38.568 -5.981 -6.008 1.00 14.03 H new ATOM 0 HA ASP A 102 40.486 -7.974 -6.999 1.00 13.45 H new ATOM 0 HB2 ASP A 102 40.855 -5.377 -6.773 1.00 61.23 H new ATOM 0 HB3 ASP A 102 41.054 -5.718 -5.065 1.00 61.23 H new ATOM 1618 N ASN A 103 39.044 -8.786 -4.600 1.00 1.32 N ATOM 1619 CA ASN A 103 38.918 -9.598 -3.395 1.00 4.10 C ATOM 1620 C ASN A 103 39.322 -8.802 -2.158 1.00 2.33 C ATOM 1621 O ASN A 103 39.891 -9.350 -1.214 1.00 12.53 O ATOM 1622 CB ASN A 103 39.782 -10.856 -3.510 1.00 41.52 C ATOM 1623 CG ASN A 103 39.100 -12.080 -2.931 1.00 24.10 C ATOM 1624 OD1 ASN A 103 38.045 -11.979 -2.306 1.00 33.12 O ATOM 1625 ND2 ASN A 103 39.703 -13.245 -3.137 1.00 21.42 N ATOM 0 H ASN A 103 38.206 -8.761 -5.181 1.00 1.32 H new ATOM 0 HA ASN A 103 37.873 -9.891 -3.292 1.00 4.10 H new ATOM 0 HB2 ASN A 103 40.018 -11.037 -4.559 1.00 41.52 H new ATOM 0 HB3 ASN A 103 40.728 -10.692 -2.994 1.00 41.52 H new ATOM 0 HD21 ASN A 103 39.292 -14.104 -2.771 1.00 21.42 H new ATOM 0 HD22 ASN A 103 40.577 -13.281 -3.661 1.00 21.42 H new TER 1632 ASN A 103