USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 786 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= -1.03 K(o=-0.83,f=-11!) USER MOD Set 1.2: A 54 GLN : amide:sc= 0.194 K(o=-0.83,f=-10!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0828 X(o=-0.083,f=-0.48) USER MOD Single : A 6 HIS : no HD1:sc= -0.0982 K(o=-0.098,f=-0.8) USER MOD Single : A 7 TYR OH : rot 150:sc= -1.43 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= -0.556 X(o=-0.56,f=-0.24) USER MOD Single : A 17 THR OG1 : rot 60:sc= 1.24 USER MOD Single : A 24 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.74) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00281 USER MOD Single : A 42 SER OG : rot 79:sc= 0.486 USER MOD Single : A 43 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0216) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -2.04 K(o=-2,f=-3.5!) USER MOD Single : A 62 SER OG : rot -100:sc= 0.557 USER MOD Single : A 73 SER OG : rot -168:sc= 0.15 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.445 X(o=-0.45,f=-0.042) USER MOD Single : A 89 GLN : amide:sc= 0.173 K(o=0.17,f=-3!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 22 N SER A 3 6.059 -1.962 -2.544 1.00 24.02 N ATOM 23 CA SER A 3 6.316 -2.623 -3.818 1.00 53.32 C ATOM 24 C SER A 3 7.814 -2.705 -4.096 1.00 33.43 C ATOM 25 O SER A 3 8.347 -3.782 -4.362 1.00 42.22 O ATOM 26 CB SER A 3 5.616 -1.875 -4.954 1.00 54.25 C ATOM 27 OG SER A 3 5.192 -2.769 -5.969 1.00 22.11 O ATOM 0 HA SER A 3 5.919 -3.637 -3.760 1.00 53.32 H new ATOM 0 HB2 SER A 3 4.756 -1.332 -4.561 1.00 54.25 H new ATOM 0 HB3 SER A 3 6.294 -1.134 -5.378 1.00 54.25 H new ATOM 0 HG SER A 3 4.746 -2.266 -6.682 1.00 22.11 H new ATOM 33 N GLN A 4 8.485 -1.560 -4.031 1.00 21.21 N ATOM 34 CA GLN A 4 9.921 -1.502 -4.276 1.00 23.42 C ATOM 35 C GLN A 4 10.703 -1.775 -2.995 1.00 3.50 C ATOM 36 O GLN A 4 10.711 -0.956 -2.075 1.00 55.01 O ATOM 37 CB GLN A 4 10.309 -0.136 -4.843 1.00 53.33 C ATOM 38 CG GLN A 4 9.832 1.032 -3.995 1.00 51.44 C ATOM 39 CD GLN A 4 8.807 1.892 -4.709 1.00 60.33 C ATOM 40 OE1 GLN A 4 7.993 1.391 -5.485 1.00 53.15 O ATOM 41 NE2 GLN A 4 8.842 3.193 -4.450 1.00 13.52 N ATOM 0 H GLN A 4 8.058 -0.660 -3.811 1.00 21.21 H new ATOM 0 HA GLN A 4 10.171 -2.273 -5.004 1.00 23.42 H new ATOM 0 HB2 GLN A 4 11.394 -0.086 -4.938 1.00 53.33 H new ATOM 0 HB3 GLN A 4 9.896 -0.038 -5.847 1.00 53.33 H new ATOM 0 HG2 GLN A 4 9.400 0.651 -3.070 1.00 51.44 H new ATOM 0 HG3 GLN A 4 10.687 1.648 -3.718 1.00 51.44 H new ATOM 0 HE21 GLN A 4 9.534 3.565 -3.800 1.00 13.52 H new ATOM 0 HE22 GLN A 4 8.177 3.821 -4.901 1.00 13.52 H new ATOM 50 N ILE A 5 11.360 -2.929 -2.942 1.00 52.54 N ATOM 51 CA ILE A 5 12.145 -3.307 -1.774 1.00 62.55 C ATOM 52 C ILE A 5 13.494 -3.890 -2.184 1.00 74.02 C ATOM 53 O ILE A 5 13.597 -4.600 -3.185 1.00 20.43 O ATOM 54 CB ILE A 5 11.398 -4.334 -0.903 1.00 25.51 C ATOM 55 CG1 ILE A 5 9.962 -3.872 -0.648 1.00 45.43 C ATOM 56 CG2 ILE A 5 12.133 -4.547 0.412 1.00 3.02 C ATOM 57 CD1 ILE A 5 9.873 -2.596 0.160 1.00 20.54 C ATOM 0 H ILE A 5 11.364 -3.618 -3.694 1.00 52.54 H new ATOM 0 HA ILE A 5 12.306 -2.399 -1.193 1.00 62.55 H new ATOM 0 HB ILE A 5 11.364 -5.284 -1.436 1.00 25.51 H new ATOM 0 HG12 ILE A 5 9.462 -3.722 -1.605 1.00 45.43 H new ATOM 0 HG13 ILE A 5 9.422 -4.662 -0.126 1.00 45.43 H new ATOM 0 HG21 ILE A 5 11.593 -5.275 1.017 1.00 3.02 H new ATOM 0 HG22 ILE A 5 13.139 -4.916 0.211 1.00 3.02 H new ATOM 0 HG23 ILE A 5 12.195 -3.602 0.952 1.00 3.02 H new ATOM 0 HD11 ILE A 5 8.826 -2.328 0.302 1.00 20.54 H new ATOM 0 HD12 ILE A 5 10.344 -2.747 1.131 1.00 20.54 H new ATOM 0 HD13 ILE A 5 10.384 -1.793 -0.371 1.00 20.54 H new ATOM 69 N HIS A 6 14.525 -3.586 -1.403 1.00 64.11 N ATOM 70 CA HIS A 6 15.868 -4.082 -1.683 1.00 43.32 C ATOM 71 C HIS A 6 16.574 -4.496 -0.395 1.00 41.25 C ATOM 72 O HIS A 6 16.281 -3.974 0.680 1.00 34.04 O ATOM 73 CB HIS A 6 16.688 -3.013 -2.407 1.00 63.31 C ATOM 74 CG HIS A 6 16.632 -1.668 -1.751 1.00 22.33 C ATOM 75 ND1 HIS A 6 17.179 -1.413 -0.511 1.00 14.52 N ATOM 76 CD2 HIS A 6 16.091 -0.500 -2.170 1.00 23.40 C ATOM 77 CE1 HIS A 6 16.975 -0.146 -0.195 1.00 33.10 C ATOM 78 NE2 HIS A 6 16.317 0.430 -1.185 1.00 63.34 N ATOM 0 H HIS A 6 14.457 -2.999 -0.572 1.00 64.11 H new ATOM 0 HA HIS A 6 15.779 -4.958 -2.325 1.00 43.32 H new ATOM 0 HB2 HIS A 6 17.727 -3.339 -2.461 1.00 63.31 H new ATOM 0 HB3 HIS A 6 16.328 -2.923 -3.432 1.00 63.31 H new ATOM 0 HD2 HIS A 6 15.577 -0.331 -3.105 1.00 23.40 H new ATOM 0 HE1 HIS A 6 17.292 0.336 0.718 1.00 33.10 H new ATOM 0 HE2 HIS A 6 16.024 1.407 -1.213 1.00 63.34 H new ATOM 86 N TYR A 7 17.505 -5.437 -0.513 1.00 15.50 N ATOM 87 CA TYR A 7 18.250 -5.923 0.642 1.00 34.01 C ATOM 88 C TYR A 7 19.753 -5.854 0.389 1.00 14.03 C ATOM 89 O TYR A 7 20.194 -5.544 -0.717 1.00 72.43 O ATOM 90 CB TYR A 7 17.842 -7.360 0.970 1.00 71.41 C ATOM 91 CG TYR A 7 16.348 -7.590 0.928 1.00 20.44 C ATOM 92 CD1 TYR A 7 15.469 -6.686 1.511 1.00 3.31 C ATOM 93 CD2 TYR A 7 15.815 -8.712 0.305 1.00 24.44 C ATOM 94 CE1 TYR A 7 14.104 -6.893 1.476 1.00 11.52 C ATOM 95 CE2 TYR A 7 14.451 -8.927 0.264 1.00 2.43 C ATOM 96 CZ TYR A 7 13.600 -8.014 0.852 1.00 73.15 C ATOM 97 OH TYR A 7 12.240 -8.223 0.813 1.00 1.13 O ATOM 0 H TYR A 7 17.761 -5.878 -1.396 1.00 15.50 H new ATOM 0 HA TYR A 7 18.013 -5.282 1.491 1.00 34.01 H new ATOM 0 HB2 TYR A 7 18.325 -8.036 0.264 1.00 71.41 H new ATOM 0 HB3 TYR A 7 18.213 -7.617 1.962 1.00 71.41 H new ATOM 0 HD1 TYR A 7 15.860 -5.806 2.000 1.00 3.31 H new ATOM 0 HD2 TYR A 7 16.479 -9.429 -0.155 1.00 24.44 H new ATOM 0 HE1 TYR A 7 13.435 -6.180 1.935 1.00 11.52 H new ATOM 0 HE2 TYR A 7 14.053 -9.804 -0.225 1.00 2.43 H new ATOM 0 HH TYR A 7 12.008 -8.719 0.000 1.00 1.13 H new ATOM 107 N SER A 8 20.534 -6.146 1.424 1.00 1.53 N ATOM 108 CA SER A 8 21.988 -6.114 1.317 1.00 10.21 C ATOM 109 C SER A 8 22.596 -7.434 1.781 1.00 32.00 C ATOM 110 O SER A 8 22.243 -7.954 2.840 1.00 75.33 O ATOM 111 CB SER A 8 22.556 -4.959 2.144 1.00 24.12 C ATOM 112 OG SER A 8 21.664 -4.586 3.180 1.00 23.21 O ATOM 0 H SER A 8 20.184 -6.407 2.346 1.00 1.53 H new ATOM 0 HA SER A 8 22.247 -5.963 0.269 1.00 10.21 H new ATOM 0 HB2 SER A 8 23.514 -5.252 2.573 1.00 24.12 H new ATOM 0 HB3 SER A 8 22.745 -4.103 1.497 1.00 24.12 H new ATOM 0 HG SER A 8 22.051 -3.847 3.695 1.00 23.21 H new ATOM 118 N ILE A 9 23.511 -7.970 0.981 1.00 4.01 N ATOM 119 CA ILE A 9 24.169 -9.228 1.309 1.00 25.44 C ATOM 120 C ILE A 9 25.525 -9.337 0.619 1.00 52.52 C ATOM 121 O ILE A 9 25.622 -9.396 -0.607 1.00 73.11 O ATOM 122 CB ILE A 9 23.304 -10.438 0.909 1.00 51.32 C ATOM 123 CG1 ILE A 9 24.110 -11.733 1.033 1.00 55.42 C ATOM 124 CG2 ILE A 9 22.780 -10.267 -0.509 1.00 73.22 C ATOM 125 CD1 ILE A 9 24.594 -12.010 2.438 1.00 24.34 C ATOM 0 H ILE A 9 23.814 -7.553 0.101 1.00 4.01 H new ATOM 0 HA ILE A 9 24.312 -9.235 2.390 1.00 25.44 H new ATOM 0 HB ILE A 9 22.452 -10.497 1.586 1.00 51.32 H new ATOM 0 HG12 ILE A 9 23.495 -12.568 0.698 1.00 55.42 H new ATOM 0 HG13 ILE A 9 24.969 -11.682 0.365 1.00 55.42 H new ATOM 0 HG21 ILE A 9 22.170 -11.130 -0.778 1.00 73.22 H new ATOM 0 HG22 ILE A 9 22.174 -9.363 -0.567 1.00 73.22 H new ATOM 0 HG23 ILE A 9 23.619 -10.186 -1.200 1.00 73.22 H new ATOM 0 HD11 ILE A 9 25.157 -12.943 2.451 1.00 24.34 H new ATOM 0 HD12 ILE A 9 25.236 -11.194 2.769 1.00 24.34 H new ATOM 0 HD13 ILE A 9 23.738 -12.093 3.108 1.00 24.34 H new ATOM 137 N PRO A 10 26.598 -9.364 1.423 1.00 70.41 N ATOM 138 CA PRO A 10 27.968 -9.468 0.911 1.00 32.25 C ATOM 139 C PRO A 10 28.260 -10.839 0.311 1.00 21.10 C ATOM 140 O PRO A 10 27.771 -11.857 0.800 1.00 65.13 O ATOM 141 CB PRO A 10 28.829 -9.234 2.155 1.00 64.41 C ATOM 142 CG PRO A 10 27.964 -9.641 3.297 1.00 11.44 C ATOM 143 CD PRO A 10 26.557 -9.297 2.893 1.00 33.34 C ATOM 0 HA PRO A 10 28.157 -8.759 0.105 1.00 32.25 H new ATOM 0 HB2 PRO A 10 29.743 -9.826 2.120 1.00 64.41 H new ATOM 0 HB3 PRO A 10 29.129 -8.189 2.238 1.00 64.41 H new ATOM 0 HG2 PRO A 10 28.062 -10.707 3.500 1.00 11.44 H new ATOM 0 HG3 PRO A 10 28.248 -9.115 4.209 1.00 11.44 H new ATOM 0 HD2 PRO A 10 25.836 -10.002 3.307 1.00 33.34 H new ATOM 0 HD3 PRO A 10 26.270 -8.305 3.242 1.00 33.34 H new ATOM 151 N GLU A 11 29.060 -10.857 -0.751 1.00 2.25 N ATOM 152 CA GLU A 11 29.416 -12.104 -1.417 1.00 5.11 C ATOM 153 C GLU A 11 29.859 -13.155 -0.403 1.00 65.13 C ATOM 154 O GLU A 11 30.153 -12.836 0.748 1.00 34.24 O ATOM 155 CB GLU A 11 30.531 -11.862 -2.438 1.00 35.44 C ATOM 156 CG GLU A 11 30.066 -11.126 -3.683 1.00 31.11 C ATOM 157 CD GLU A 11 31.196 -10.856 -4.657 1.00 5.34 C ATOM 158 OE1 GLU A 11 32.371 -10.989 -4.255 1.00 21.32 O ATOM 159 OE2 GLU A 11 30.906 -10.510 -5.821 1.00 72.52 O ATOM 0 H GLU A 11 29.473 -10.023 -1.168 1.00 2.25 H new ATOM 0 HA GLU A 11 28.532 -12.475 -1.936 1.00 5.11 H new ATOM 0 HB2 GLU A 11 31.328 -11.289 -1.964 1.00 35.44 H new ATOM 0 HB3 GLU A 11 30.958 -12.821 -2.731 1.00 35.44 H new ATOM 0 HG2 GLU A 11 29.295 -11.713 -4.181 1.00 31.11 H new ATOM 0 HG3 GLU A 11 29.608 -10.180 -3.392 1.00 31.11 H new ATOM 166 N GLU A 12 29.905 -14.409 -0.842 1.00 34.44 N ATOM 167 CA GLU A 12 30.310 -15.508 0.028 1.00 42.52 C ATOM 168 C GLU A 12 29.287 -15.730 1.138 1.00 54.55 C ATOM 169 O GLU A 12 29.646 -15.986 2.286 1.00 64.30 O ATOM 170 CB GLU A 12 31.685 -15.224 0.636 1.00 22.34 C ATOM 171 CG GLU A 12 32.583 -16.448 0.708 1.00 32.22 C ATOM 172 CD GLU A 12 34.001 -16.108 1.124 1.00 70.04 C ATOM 173 OE1 GLU A 12 34.174 -15.162 1.921 1.00 63.41 O ATOM 174 OE2 GLU A 12 34.937 -16.786 0.652 1.00 70.54 O ATOM 0 H GLU A 12 29.667 -14.689 -1.793 1.00 34.44 H new ATOM 0 HA GLU A 12 30.366 -16.414 -0.576 1.00 42.52 H new ATOM 0 HB2 GLU A 12 32.182 -14.454 0.046 1.00 22.34 H new ATOM 0 HB3 GLU A 12 31.553 -14.821 1.640 1.00 22.34 H new ATOM 0 HG2 GLU A 12 32.162 -17.162 1.416 1.00 32.22 H new ATOM 0 HG3 GLU A 12 32.602 -16.938 -0.265 1.00 32.22 H new ATOM 181 N ALA A 13 28.009 -15.628 0.785 1.00 2.11 N ATOM 182 CA ALA A 13 26.933 -15.819 1.750 1.00 42.34 C ATOM 183 C ALA A 13 26.325 -17.211 1.625 1.00 32.40 C ATOM 184 O ALA A 13 25.512 -17.468 0.737 1.00 71.23 O ATOM 185 CB ALA A 13 25.862 -14.754 1.563 1.00 22.20 C ATOM 0 H ALA A 13 27.694 -15.414 -0.161 1.00 2.11 H new ATOM 0 HA ALA A 13 27.354 -15.724 2.751 1.00 42.34 H new ATOM 0 HB1 ALA A 13 25.065 -14.908 2.290 1.00 22.20 H new ATOM 0 HB2 ALA A 13 26.301 -13.767 1.710 1.00 22.20 H new ATOM 0 HB3 ALA A 13 25.453 -14.823 0.555 1.00 22.20 H new ATOM 191 N LYS A 14 26.724 -18.109 2.520 1.00 12.53 N ATOM 192 CA LYS A 14 26.218 -19.476 2.512 1.00 60.03 C ATOM 193 C LYS A 14 24.733 -19.509 2.857 1.00 54.12 C ATOM 194 O LYS A 14 24.197 -18.559 3.429 1.00 32.33 O ATOM 195 CB LYS A 14 27.002 -20.338 3.504 1.00 41.11 C ATOM 196 CG LYS A 14 27.095 -19.733 4.894 1.00 21.00 C ATOM 197 CD LYS A 14 28.528 -19.375 5.252 1.00 53.44 C ATOM 198 CE LYS A 14 28.719 -19.279 6.757 1.00 22.14 C ATOM 199 NZ LYS A 14 29.915 -20.040 7.214 1.00 61.11 N ATOM 0 H LYS A 14 27.397 -17.914 3.261 1.00 12.53 H new ATOM 0 HA LYS A 14 26.349 -19.879 1.508 1.00 60.03 H new ATOM 0 HB2 LYS A 14 26.529 -21.318 3.574 1.00 41.11 H new ATOM 0 HB3 LYS A 14 28.009 -20.497 3.118 1.00 41.11 H new ATOM 0 HG2 LYS A 14 26.472 -18.840 4.945 1.00 21.00 H new ATOM 0 HG3 LYS A 14 26.702 -20.438 5.626 1.00 21.00 H new ATOM 0 HD2 LYS A 14 29.204 -20.127 4.846 1.00 53.44 H new ATOM 0 HD3 LYS A 14 28.793 -18.424 4.789 1.00 53.44 H new ATOM 0 HE2 LYS A 14 28.823 -18.233 7.044 1.00 22.14 H new ATOM 0 HE3 LYS A 14 27.831 -19.661 7.261 1.00 22.14 H new ATOM 0 HZ1 LYS A 14 30.011 -19.950 8.246 1.00 61.11 H new ATOM 0 HZ2 LYS A 14 29.805 -21.043 6.963 1.00 61.11 H new ATOM 0 HZ3 LYS A 14 30.766 -19.659 6.753 1.00 61.11 H new ATOM 213 N HIS A 15 24.072 -20.608 2.506 1.00 24.12 N ATOM 214 CA HIS A 15 22.649 -20.765 2.781 1.00 35.11 C ATOM 215 C HIS A 15 22.344 -20.482 4.249 1.00 2.40 C ATOM 216 O HIS A 15 22.866 -21.149 5.141 1.00 11.55 O ATOM 217 CB HIS A 15 22.190 -22.177 2.417 1.00 71.34 C ATOM 218 CG HIS A 15 22.192 -22.446 0.943 1.00 21.22 C ATOM 219 ND1 HIS A 15 22.110 -23.715 0.410 1.00 70.04 N ATOM 220 CD2 HIS A 15 22.266 -21.600 -0.111 1.00 34.40 C ATOM 221 CE1 HIS A 15 22.135 -23.638 -0.909 1.00 35.20 C ATOM 222 NE2 HIS A 15 22.228 -22.366 -1.251 1.00 1.35 N ATOM 0 H HIS A 15 24.500 -21.403 2.031 1.00 24.12 H new ATOM 0 HA HIS A 15 22.105 -20.045 2.170 1.00 35.11 H new ATOM 0 HB2 HIS A 15 22.839 -22.900 2.911 1.00 71.34 H new ATOM 0 HB3 HIS A 15 21.184 -22.335 2.805 1.00 71.34 H new ATOM 0 HD2 HIS A 15 22.341 -20.524 -0.065 1.00 34.40 H new ATOM 0 HE1 HIS A 15 22.087 -24.474 -1.591 1.00 35.20 H new ATOM 0 HE2 HIS A 15 22.266 -22.010 -2.206 1.00 1.35 H new ATOM 230 N GLY A 16 21.496 -19.486 4.491 1.00 22.44 N ATOM 231 CA GLY A 16 21.138 -19.132 5.852 1.00 1.23 C ATOM 232 C GLY A 16 21.786 -17.838 6.304 1.00 54.22 C ATOM 233 O GLY A 16 21.712 -17.474 7.478 1.00 11.20 O ATOM 0 H GLY A 16 21.051 -18.919 3.769 1.00 22.44 H new ATOM 0 HA2 GLY A 16 20.055 -19.038 5.927 1.00 1.23 H new ATOM 0 HA3 GLY A 16 21.435 -19.937 6.524 1.00 1.23 H new ATOM 237 N THR A 17 22.424 -17.140 5.370 1.00 65.02 N ATOM 238 CA THR A 17 23.090 -15.881 5.678 1.00 2.30 C ATOM 239 C THR A 17 22.103 -14.719 5.666 1.00 32.51 C ATOM 240 O THR A 17 21.180 -14.684 4.851 1.00 24.14 O ATOM 241 CB THR A 17 24.224 -15.586 4.679 1.00 45.45 C ATOM 242 OG1 THR A 17 25.234 -16.597 4.771 1.00 41.24 O ATOM 243 CG2 THR A 17 24.841 -14.221 4.947 1.00 54.23 C ATOM 0 H THR A 17 22.493 -17.426 4.393 1.00 65.02 H new ATOM 0 HA THR A 17 23.513 -15.984 6.677 1.00 2.30 H new ATOM 0 HB THR A 17 23.801 -15.585 3.674 1.00 45.45 H new ATOM 0 HG1 THR A 17 24.841 -17.472 4.569 1.00 41.24 H new ATOM 0 HG21 THR A 17 25.640 -14.035 4.229 1.00 54.23 H new ATOM 0 HG22 THR A 17 24.077 -13.450 4.847 1.00 54.23 H new ATOM 0 HG23 THR A 17 25.249 -14.198 5.957 1.00 54.23 H new ATOM 251 N PHE A 18 22.302 -13.770 6.574 1.00 3.11 N ATOM 252 CA PHE A 18 21.429 -12.606 6.668 1.00 34.20 C ATOM 253 C PHE A 18 21.392 -11.845 5.346 1.00 64.10 C ATOM 254 O PHE A 18 22.430 -11.592 4.734 1.00 61.13 O ATOM 255 CB PHE A 18 21.898 -11.679 7.791 1.00 41.33 C ATOM 256 CG PHE A 18 20.784 -11.199 8.677 1.00 44.20 C ATOM 257 CD1 PHE A 18 20.241 -12.032 9.642 1.00 43.11 C ATOM 258 CD2 PHE A 18 20.281 -9.915 8.546 1.00 40.33 C ATOM 259 CE1 PHE A 18 19.216 -11.593 10.458 1.00 10.01 C ATOM 260 CE2 PHE A 18 19.256 -9.470 9.359 1.00 31.14 C ATOM 261 CZ PHE A 18 18.724 -10.310 10.318 1.00 75.25 C ATOM 0 H PHE A 18 23.061 -13.784 7.256 1.00 3.11 H new ATOM 0 HA PHE A 18 20.422 -12.956 6.893 1.00 34.20 H new ATOM 0 HB2 PHE A 18 22.635 -12.203 8.399 1.00 41.33 H new ATOM 0 HB3 PHE A 18 22.401 -10.817 7.353 1.00 41.33 H new ATOM 0 HD1 PHE A 18 20.623 -13.035 9.758 1.00 43.11 H new ATOM 0 HD2 PHE A 18 20.695 -9.254 7.799 1.00 40.33 H new ATOM 0 HE1 PHE A 18 18.800 -12.253 11.205 1.00 10.01 H new ATOM 0 HE2 PHE A 18 18.872 -8.467 9.245 1.00 31.14 H new ATOM 0 HZ PHE A 18 17.925 -9.964 10.957 1.00 75.25 H new ATOM 271 N VAL A 19 20.190 -11.483 4.911 1.00 34.10 N ATOM 272 CA VAL A 19 20.017 -10.751 3.662 1.00 13.33 C ATOM 273 C VAL A 19 19.235 -9.461 3.885 1.00 10.14 C ATOM 274 O VAL A 19 19.680 -8.379 3.505 1.00 61.13 O ATOM 275 CB VAL A 19 19.288 -11.604 2.607 1.00 14.04 C ATOM 276 CG1 VAL A 19 19.215 -10.865 1.280 1.00 53.10 C ATOM 277 CG2 VAL A 19 19.978 -12.949 2.441 1.00 62.11 C ATOM 0 H VAL A 19 19.321 -11.685 5.405 1.00 34.10 H new ATOM 0 HA VAL A 19 21.015 -10.509 3.296 1.00 13.33 H new ATOM 0 HB VAL A 19 18.269 -11.784 2.951 1.00 14.04 H new ATOM 0 HG11 VAL A 19 18.697 -11.483 0.547 1.00 53.10 H new ATOM 0 HG12 VAL A 19 18.672 -9.929 1.414 1.00 53.10 H new ATOM 0 HG13 VAL A 19 20.224 -10.652 0.926 1.00 53.10 H new ATOM 0 HG21 VAL A 19 19.450 -13.539 1.692 1.00 62.11 H new ATOM 0 HG22 VAL A 19 21.008 -12.792 2.120 1.00 62.11 H new ATOM 0 HG23 VAL A 19 19.972 -13.481 3.392 1.00 62.11 H new ATOM 287 N GLY A 20 18.066 -9.584 4.506 1.00 14.23 N ATOM 288 CA GLY A 20 17.240 -8.420 4.770 1.00 11.22 C ATOM 289 C GLY A 20 15.801 -8.787 5.076 1.00 4.21 C ATOM 290 O GLY A 20 15.157 -9.496 4.303 1.00 30.13 O ATOM 0 H GLY A 20 17.676 -10.469 4.831 1.00 14.23 H new ATOM 0 HA2 GLY A 20 17.657 -7.866 5.611 1.00 11.22 H new ATOM 0 HA3 GLY A 20 17.266 -7.756 3.906 1.00 11.22 H new ATOM 294 N ARG A 21 15.297 -8.304 6.207 1.00 71.30 N ATOM 295 CA ARG A 21 13.926 -8.588 6.614 1.00 22.25 C ATOM 296 C ARG A 21 12.955 -8.347 5.462 1.00 4.12 C ATOM 297 O ARG A 21 12.599 -7.206 5.167 1.00 50.13 O ATOM 298 CB ARG A 21 13.538 -7.720 7.813 1.00 72.31 C ATOM 299 CG ARG A 21 13.927 -6.259 7.658 1.00 34.12 C ATOM 300 CD ARG A 21 13.753 -5.495 8.962 1.00 72.43 C ATOM 301 NE ARG A 21 13.168 -4.174 8.748 1.00 23.23 N ATOM 302 CZ ARG A 21 13.834 -3.152 8.222 1.00 22.33 C ATOM 303 NH1 ARG A 21 15.101 -3.299 7.858 1.00 75.02 N ATOM 304 NH2 ARG A 21 13.233 -1.980 8.060 1.00 63.55 N ATOM 0 H ARG A 21 15.817 -7.715 6.857 1.00 71.30 H new ATOM 0 HA ARG A 21 13.869 -9.638 6.900 1.00 22.25 H new ATOM 0 HB2 ARG A 21 12.461 -7.786 7.965 1.00 72.31 H new ATOM 0 HB3 ARG A 21 14.012 -8.120 8.709 1.00 72.31 H new ATOM 0 HG2 ARG A 21 14.964 -6.190 7.330 1.00 34.12 H new ATOM 0 HG3 ARG A 21 13.316 -5.799 6.881 1.00 34.12 H new ATOM 0 HD2 ARG A 21 13.117 -6.068 9.636 1.00 72.43 H new ATOM 0 HD3 ARG A 21 14.721 -5.388 9.451 1.00 72.43 H new ATOM 0 HE ARG A 21 12.195 -4.028 9.017 1.00 23.23 H new ATOM 0 HH11 ARG A 21 15.566 -4.198 7.982 1.00 75.02 H new ATOM 0 HH12 ARG A 21 15.610 -2.513 7.454 1.00 75.02 H new ATOM 0 HH21 ARG A 21 12.259 -1.863 8.339 1.00 63.55 H new ATOM 0 HH22 ARG A 21 13.745 -1.196 7.656 1.00 63.55 H new ATOM 318 N ILE A 22 12.533 -9.428 4.816 1.00 55.14 N ATOM 319 CA ILE A 22 11.603 -9.333 3.697 1.00 60.42 C ATOM 320 C ILE A 22 10.191 -9.022 4.180 1.00 34.33 C ATOM 321 O ILE A 22 9.473 -8.234 3.565 1.00 33.44 O ATOM 322 CB ILE A 22 11.577 -10.636 2.875 1.00 41.41 C ATOM 323 CG1 ILE A 22 10.445 -10.593 1.847 1.00 73.02 C ATOM 324 CG2 ILE A 22 11.421 -11.839 3.793 1.00 0.53 C ATOM 325 CD1 ILE A 22 10.426 -11.788 0.919 1.00 13.40 C ATOM 0 H ILE A 22 12.820 -10.379 5.047 1.00 55.14 H new ATOM 0 HA ILE A 22 11.955 -8.519 3.063 1.00 60.42 H new ATOM 0 HB ILE A 22 12.523 -10.731 2.342 1.00 41.41 H new ATOM 0 HG12 ILE A 22 9.491 -10.535 2.371 1.00 73.02 H new ATOM 0 HG13 ILE A 22 10.538 -9.684 1.253 1.00 73.02 H new ATOM 0 HG21 ILE A 22 11.404 -12.752 3.197 1.00 0.53 H new ATOM 0 HG22 ILE A 22 12.258 -11.876 4.490 1.00 0.53 H new ATOM 0 HG23 ILE A 22 10.488 -11.753 4.351 1.00 0.53 H new ATOM 0 HD11 ILE A 22 9.598 -11.691 0.217 1.00 13.40 H new ATOM 0 HD12 ILE A 22 11.365 -11.836 0.368 1.00 13.40 H new ATOM 0 HD13 ILE A 22 10.301 -12.700 1.503 1.00 13.40 H new ATOM 337 N ALA A 23 9.799 -9.646 5.287 1.00 42.41 N ATOM 338 CA ALA A 23 8.474 -9.432 5.856 1.00 62.43 C ATOM 339 C ALA A 23 8.346 -8.028 6.436 1.00 35.35 C ATOM 340 O ALA A 23 7.410 -7.297 6.113 1.00 31.22 O ATOM 341 CB ALA A 23 8.184 -10.476 6.924 1.00 23.20 C ATOM 0 H ALA A 23 10.380 -10.303 5.807 1.00 42.41 H new ATOM 0 HA ALA A 23 7.741 -9.534 5.056 1.00 62.43 H new ATOM 0 HB1 ALA A 23 7.191 -10.304 7.341 1.00 23.20 H new ATOM 0 HB2 ALA A 23 8.224 -11.471 6.481 1.00 23.20 H new ATOM 0 HB3 ALA A 23 8.928 -10.402 7.717 1.00 23.20 H new ATOM 347 N GLN A 24 9.290 -7.659 7.295 1.00 25.22 N ATOM 348 CA GLN A 24 9.281 -6.343 7.922 1.00 54.43 C ATOM 349 C GLN A 24 9.243 -5.239 6.869 1.00 33.34 C ATOM 350 O GLN A 24 8.539 -4.241 7.027 1.00 23.33 O ATOM 351 CB GLN A 24 10.511 -6.170 8.814 1.00 33.14 C ATOM 352 CG GLN A 24 10.704 -7.303 9.809 1.00 64.41 C ATOM 353 CD GLN A 24 9.449 -7.603 10.604 1.00 73.44 C ATOM 354 OE1 GLN A 24 8.686 -6.699 10.946 1.00 23.34 O ATOM 355 NE2 GLN A 24 9.227 -8.878 10.901 1.00 34.32 N ATOM 0 H GLN A 24 10.071 -8.253 7.573 1.00 25.22 H new ATOM 0 HA GLN A 24 8.383 -6.267 8.535 1.00 54.43 H new ATOM 0 HB2 GLN A 24 11.398 -6.095 8.185 1.00 33.14 H new ATOM 0 HB3 GLN A 24 10.425 -5.230 9.359 1.00 33.14 H new ATOM 0 HG2 GLN A 24 11.014 -8.201 9.275 1.00 64.41 H new ATOM 0 HG3 GLN A 24 11.511 -7.045 10.495 1.00 64.41 H new ATOM 0 HE21 GLN A 24 9.886 -9.595 10.597 1.00 34.32 H new ATOM 0 HE22 GLN A 24 8.397 -9.141 11.433 1.00 34.32 H new ATOM 364 N ASP A 25 10.003 -5.426 5.796 1.00 5.45 N ATOM 365 CA ASP A 25 10.056 -4.446 4.717 1.00 24.33 C ATOM 366 C ASP A 25 8.790 -4.504 3.869 1.00 40.24 C ATOM 367 O ASP A 25 8.490 -3.575 3.117 1.00 5.35 O ATOM 368 CB ASP A 25 11.285 -4.689 3.839 1.00 20.13 C ATOM 369 CG ASP A 25 12.584 -4.416 4.573 1.00 74.34 C ATOM 370 OD1 ASP A 25 12.540 -3.751 5.628 1.00 31.34 O ATOM 371 OD2 ASP A 25 13.644 -4.867 4.090 1.00 31.21 O ATOM 0 H ASP A 25 10.591 -6.247 5.650 1.00 5.45 H new ATOM 0 HA ASP A 25 10.128 -3.454 5.163 1.00 24.33 H new ATOM 0 HB2 ASP A 25 11.279 -5.721 3.488 1.00 20.13 H new ATOM 0 HB3 ASP A 25 11.229 -4.052 2.956 1.00 20.13 H new ATOM 376 N LEU A 26 8.051 -5.600 3.992 1.00 34.44 N ATOM 377 CA LEU A 26 6.816 -5.780 3.236 1.00 62.20 C ATOM 378 C LEU A 26 5.627 -5.186 3.985 1.00 64.43 C ATOM 379 O LEU A 26 4.744 -4.577 3.384 1.00 50.43 O ATOM 380 CB LEU A 26 6.573 -7.266 2.965 1.00 14.13 C ATOM 381 CG LEU A 26 6.869 -7.747 1.544 1.00 11.33 C ATOM 382 CD1 LEU A 26 8.271 -7.335 1.123 1.00 51.00 C ATOM 383 CD2 LEU A 26 6.702 -9.256 1.446 1.00 22.13 C ATOM 0 H LEU A 26 8.285 -6.378 4.608 1.00 34.44 H new ATOM 0 HA LEU A 26 6.921 -5.256 2.286 1.00 62.20 H new ATOM 0 HB2 LEU A 26 7.183 -7.846 3.658 1.00 14.13 H new ATOM 0 HB3 LEU A 26 5.531 -7.491 3.193 1.00 14.13 H new ATOM 0 HG LEU A 26 6.156 -7.278 0.866 1.00 11.33 H new ATOM 0 HD11 LEU A 26 8.464 -7.686 0.109 1.00 51.00 H new ATOM 0 HD12 LEU A 26 8.356 -6.249 1.153 1.00 51.00 H new ATOM 0 HD13 LEU A 26 8.999 -7.775 1.804 1.00 51.00 H new ATOM 0 HD21 LEU A 26 6.917 -9.580 0.428 1.00 22.13 H new ATOM 0 HD22 LEU A 26 7.391 -9.744 2.135 1.00 22.13 H new ATOM 0 HD23 LEU A 26 5.678 -9.526 1.705 1.00 22.13 H new ATOM 395 N GLY A 27 5.613 -5.368 5.302 1.00 45.41 N ATOM 396 CA GLY A 27 4.530 -4.842 6.112 1.00 71.14 C ATOM 397 C GLY A 27 3.398 -5.836 6.281 1.00 53.34 C ATOM 398 O GLY A 27 2.226 -5.483 6.141 1.00 51.11 O ATOM 0 H GLY A 27 6.332 -5.870 5.822 1.00 45.41 H new ATOM 0 HA2 GLY A 27 4.916 -4.565 7.093 1.00 71.14 H new ATOM 0 HA3 GLY A 27 4.145 -3.932 5.652 1.00 71.14 H new ATOM 402 N LEU A 28 3.747 -7.082 6.580 1.00 15.05 N ATOM 403 CA LEU A 28 2.750 -8.131 6.767 1.00 24.42 C ATOM 404 C LEU A 28 3.001 -8.896 8.063 1.00 43.01 C ATOM 405 O LEU A 28 4.098 -8.849 8.620 1.00 55.42 O ATOM 406 CB LEU A 28 2.769 -9.096 5.580 1.00 30.34 C ATOM 407 CG LEU A 28 3.548 -8.631 4.349 1.00 34.33 C ATOM 408 CD1 LEU A 28 3.706 -9.772 3.356 1.00 40.33 C ATOM 409 CD2 LEU A 28 2.854 -7.445 3.696 1.00 15.01 C ATOM 0 H LEU A 28 4.712 -7.391 6.698 1.00 15.05 H new ATOM 0 HA LEU A 28 1.769 -7.660 6.829 1.00 24.42 H new ATOM 0 HB2 LEU A 28 3.190 -10.044 5.915 1.00 30.34 H new ATOM 0 HB3 LEU A 28 1.739 -9.293 5.281 1.00 30.34 H new ATOM 0 HG LEU A 28 4.541 -8.314 4.668 1.00 34.33 H new ATOM 0 HD11 LEU A 28 4.263 -9.423 2.486 1.00 40.33 H new ATOM 0 HD12 LEU A 28 4.247 -10.593 3.828 1.00 40.33 H new ATOM 0 HD13 LEU A 28 2.722 -10.119 3.041 1.00 40.33 H new ATOM 0 HD21 LEU A 28 3.422 -7.127 2.822 1.00 15.01 H new ATOM 0 HD22 LEU A 28 1.849 -7.735 3.390 1.00 15.01 H new ATOM 0 HD23 LEU A 28 2.793 -6.622 4.408 1.00 15.01 H new ATOM 421 N GLU A 29 1.978 -9.601 8.535 1.00 24.44 N ATOM 422 CA GLU A 29 2.090 -10.377 9.765 1.00 34.30 C ATOM 423 C GLU A 29 2.874 -11.664 9.527 1.00 21.42 C ATOM 424 O GLU A 29 2.649 -12.369 8.543 1.00 73.53 O ATOM 425 CB GLU A 29 0.700 -10.708 10.313 1.00 73.10 C ATOM 426 CG GLU A 29 0.324 -9.903 11.546 1.00 62.41 C ATOM 427 CD GLU A 29 0.111 -8.434 11.240 1.00 14.54 C ATOM 428 OE1 GLU A 29 -0.305 -8.118 10.106 1.00 60.44 O ATOM 429 OE2 GLU A 29 0.359 -7.599 12.135 1.00 1.22 O ATOM 0 H GLU A 29 1.064 -9.651 8.086 1.00 24.44 H new ATOM 0 HA GLU A 29 2.628 -9.774 10.497 1.00 34.30 H new ATOM 0 HB2 GLU A 29 -0.041 -10.530 9.533 1.00 73.10 H new ATOM 0 HB3 GLU A 29 0.658 -11.770 10.556 1.00 73.10 H new ATOM 0 HG2 GLU A 29 -0.586 -10.315 11.981 1.00 62.41 H new ATOM 0 HG3 GLU A 29 1.109 -10.004 12.295 1.00 62.41 H new ATOM 436 N LEU A 30 3.797 -11.964 10.435 1.00 74.01 N ATOM 437 CA LEU A 30 4.616 -13.166 10.325 1.00 1.10 C ATOM 438 C LEU A 30 3.774 -14.420 10.533 1.00 74.31 C ATOM 439 O LEU A 30 3.981 -15.438 9.871 1.00 30.12 O ATOM 440 CB LEU A 30 5.754 -13.127 11.347 1.00 54.40 C ATOM 441 CG LEU A 30 7.171 -13.133 10.774 1.00 62.30 C ATOM 442 CD1 LEU A 30 7.484 -14.479 10.139 1.00 30.41 C ATOM 443 CD2 LEU A 30 7.342 -12.011 9.761 1.00 62.04 C ATOM 0 H LEU A 30 3.997 -11.391 11.255 1.00 74.01 H new ATOM 0 HA LEU A 30 5.038 -13.197 9.321 1.00 1.10 H new ATOM 0 HB2 LEU A 30 5.635 -12.233 11.959 1.00 54.40 H new ATOM 0 HB3 LEU A 30 5.649 -13.985 12.011 1.00 54.40 H new ATOM 0 HG LEU A 30 7.873 -12.967 11.591 1.00 62.30 H new ATOM 0 HD11 LEU A 30 8.497 -14.465 9.736 1.00 30.41 H new ATOM 0 HD12 LEU A 30 7.404 -15.264 10.891 1.00 30.41 H new ATOM 0 HD13 LEU A 30 6.776 -14.675 9.334 1.00 30.41 H new ATOM 0 HD21 LEU A 30 8.357 -12.031 9.364 1.00 62.04 H new ATOM 0 HD22 LEU A 30 6.631 -12.145 8.946 1.00 62.04 H new ATOM 0 HD23 LEU A 30 7.161 -11.052 10.246 1.00 62.04 H new ATOM 455 N THR A 31 2.820 -14.340 11.456 1.00 73.34 N ATOM 456 CA THR A 31 1.945 -15.468 11.750 1.00 32.02 C ATOM 457 C THR A 31 0.781 -15.532 10.768 1.00 72.11 C ATOM 458 O THR A 31 -0.099 -16.384 10.890 1.00 50.44 O ATOM 459 CB THR A 31 1.388 -15.387 13.184 1.00 31.40 C ATOM 460 OG1 THR A 31 0.809 -14.098 13.413 1.00 1.20 O ATOM 461 CG2 THR A 31 2.485 -15.645 14.206 1.00 71.21 C ATOM 0 H THR A 31 2.634 -13.506 12.013 1.00 73.34 H new ATOM 0 HA THR A 31 2.549 -16.370 11.652 1.00 32.02 H new ATOM 0 HB THR A 31 0.621 -16.154 13.296 1.00 31.40 H new ATOM 0 HG1 THR A 31 0.456 -14.056 14.326 1.00 1.20 H new ATOM 0 HG21 THR A 31 2.068 -15.583 15.211 1.00 71.21 H new ATOM 0 HG22 THR A 31 2.903 -16.639 14.048 1.00 71.21 H new ATOM 0 HG23 THR A 31 3.271 -14.898 14.092 1.00 71.21 H new ATOM 469 N GLU A 32 0.783 -14.626 9.795 1.00 61.53 N ATOM 470 CA GLU A 32 -0.274 -14.581 8.792 1.00 72.44 C ATOM 471 C GLU A 32 0.270 -14.939 7.411 1.00 33.14 C ATOM 472 O GLU A 32 -0.462 -14.925 6.420 1.00 21.45 O ATOM 473 CB GLU A 32 -0.914 -13.192 8.755 1.00 34.23 C ATOM 474 CG GLU A 32 -1.668 -12.836 10.026 1.00 43.32 C ATOM 475 CD GLU A 32 -2.830 -13.771 10.297 1.00 51.13 C ATOM 476 OE1 GLU A 32 -3.817 -13.726 9.533 1.00 14.21 O ATOM 477 OE2 GLU A 32 -2.753 -14.547 11.272 1.00 71.23 O ATOM 0 H GLU A 32 1.504 -13.914 9.680 1.00 61.53 H new ATOM 0 HA GLU A 32 -1.031 -15.315 9.067 1.00 72.44 H new ATOM 0 HB2 GLU A 32 -0.137 -12.447 8.583 1.00 34.23 H new ATOM 0 HB3 GLU A 32 -1.599 -13.139 7.909 1.00 34.23 H new ATOM 0 HG2 GLU A 32 -0.980 -12.863 10.871 1.00 43.32 H new ATOM 0 HG3 GLU A 32 -2.039 -11.814 9.949 1.00 43.32 H new ATOM 484 N LEU A 33 1.558 -15.258 7.354 1.00 31.33 N ATOM 485 CA LEU A 33 2.202 -15.619 6.096 1.00 74.31 C ATOM 486 C LEU A 33 1.634 -16.925 5.549 1.00 62.21 C ATOM 487 O LEU A 33 1.371 -17.047 4.352 1.00 23.24 O ATOM 488 CB LEU A 33 3.713 -15.749 6.293 1.00 60.55 C ATOM 489 CG LEU A 33 4.480 -14.441 6.482 1.00 4.50 C ATOM 490 CD1 LEU A 33 5.728 -14.670 7.322 1.00 54.34 C ATOM 491 CD2 LEU A 33 4.846 -13.837 5.134 1.00 43.21 C ATOM 0 H LEU A 33 2.177 -15.274 8.164 1.00 31.33 H new ATOM 0 HA LEU A 33 2.003 -14.827 5.374 1.00 74.31 H new ATOM 0 HB2 LEU A 33 3.893 -16.381 7.163 1.00 60.55 H new ATOM 0 HB3 LEU A 33 4.128 -16.269 5.430 1.00 60.55 H new ATOM 0 HG LEU A 33 3.836 -13.738 7.010 1.00 4.50 H new ATOM 0 HD11 LEU A 33 6.261 -13.727 7.446 1.00 54.34 H new ATOM 0 HD12 LEU A 33 5.442 -15.057 8.300 1.00 54.34 H new ATOM 0 HD13 LEU A 33 6.376 -15.390 6.822 1.00 54.34 H new ATOM 0 HD21 LEU A 33 5.392 -12.906 5.288 1.00 43.21 H new ATOM 0 HD22 LEU A 33 5.472 -14.537 4.580 1.00 43.21 H new ATOM 0 HD23 LEU A 33 3.937 -13.635 4.567 1.00 43.21 H new ATOM 503 N VAL A 34 1.445 -17.899 6.434 1.00 65.13 N ATOM 504 CA VAL A 34 0.906 -19.195 6.041 1.00 73.24 C ATOM 505 C VAL A 34 -0.410 -19.037 5.287 1.00 41.24 C ATOM 506 O VAL A 34 -0.556 -19.474 4.145 1.00 14.10 O ATOM 507 CB VAL A 34 0.678 -20.103 7.264 1.00 55.30 C ATOM 508 CG1 VAL A 34 -0.491 -21.045 7.019 1.00 21.43 C ATOM 509 CG2 VAL A 34 1.942 -20.882 7.592 1.00 2.21 C ATOM 0 H VAL A 34 1.657 -17.815 7.428 1.00 65.13 H new ATOM 0 HA VAL A 34 1.644 -19.659 5.386 1.00 73.24 H new ATOM 0 HB VAL A 34 0.434 -19.475 8.121 1.00 55.30 H new ATOM 0 HG11 VAL A 34 -0.637 -21.679 7.894 1.00 21.43 H new ATOM 0 HG12 VAL A 34 -1.395 -20.464 6.837 1.00 21.43 H new ATOM 0 HG13 VAL A 34 -0.280 -21.669 6.150 1.00 21.43 H new ATOM 0 HG21 VAL A 34 1.763 -21.518 8.459 1.00 2.21 H new ATOM 0 HG22 VAL A 34 2.220 -21.501 6.739 1.00 2.21 H new ATOM 0 HG23 VAL A 34 2.751 -20.186 7.814 1.00 2.21 H new ATOM 519 N PRO A 35 -1.392 -18.396 5.938 1.00 3.11 N ATOM 520 CA PRO A 35 -2.713 -18.164 5.348 1.00 52.42 C ATOM 521 C PRO A 35 -2.670 -17.147 4.212 1.00 72.10 C ATOM 522 O PRO A 35 -3.606 -17.050 3.418 1.00 41.31 O ATOM 523 CB PRO A 35 -3.535 -17.621 6.520 1.00 61.21 C ATOM 524 CG PRO A 35 -2.531 -17.014 7.438 1.00 63.04 C ATOM 525 CD PRO A 35 -1.287 -17.848 7.301 1.00 31.31 C ATOM 0 HA PRO A 35 -3.125 -19.070 4.904 1.00 52.42 H new ATOM 0 HB2 PRO A 35 -4.262 -16.882 6.184 1.00 61.21 H new ATOM 0 HB3 PRO A 35 -4.093 -18.416 7.014 1.00 61.21 H new ATOM 0 HG2 PRO A 35 -2.336 -15.975 7.171 1.00 63.04 H new ATOM 0 HG3 PRO A 35 -2.891 -17.016 8.467 1.00 63.04 H new ATOM 0 HD2 PRO A 35 -0.385 -17.248 7.425 1.00 31.31 H new ATOM 0 HD3 PRO A 35 -1.249 -18.639 8.050 1.00 31.31 H new ATOM 533 N ARG A 36 -1.579 -16.392 4.140 1.00 25.55 N ATOM 534 CA ARG A 36 -1.415 -15.383 3.102 1.00 45.33 C ATOM 535 C ARG A 36 -0.795 -15.990 1.846 1.00 11.13 C ATOM 536 O ARG A 36 -0.578 -15.298 0.851 1.00 53.42 O ATOM 537 CB ARG A 36 -0.541 -14.235 3.610 1.00 1.53 C ATOM 538 CG ARG A 36 -1.315 -13.173 4.375 1.00 43.02 C ATOM 539 CD ARG A 36 -0.389 -12.302 5.210 1.00 51.24 C ATOM 540 NE ARG A 36 -0.268 -10.952 4.664 1.00 30.42 N ATOM 541 CZ ARG A 36 -1.175 -10.000 4.852 1.00 44.21 C ATOM 542 NH1 ARG A 36 -2.263 -10.247 5.568 1.00 63.41 N ATOM 543 NH2 ARG A 36 -0.993 -8.796 4.323 1.00 33.33 N ATOM 0 H ARG A 36 -0.795 -16.460 4.789 1.00 25.55 H new ATOM 0 HA ARG A 36 -2.402 -14.995 2.849 1.00 45.33 H new ATOM 0 HB2 ARG A 36 0.238 -14.641 4.256 1.00 1.53 H new ATOM 0 HB3 ARG A 36 -0.041 -13.768 2.762 1.00 1.53 H new ATOM 0 HG2 ARG A 36 -1.869 -12.549 3.674 1.00 43.02 H new ATOM 0 HG3 ARG A 36 -2.049 -13.652 5.023 1.00 43.02 H new ATOM 0 HD2 ARG A 36 -0.766 -12.248 6.231 1.00 51.24 H new ATOM 0 HD3 ARG A 36 0.597 -12.763 5.258 1.00 51.24 H new ATOM 0 HE ARG A 36 0.558 -10.729 4.108 1.00 30.42 H new ATOM 0 HH11 ARG A 36 -2.406 -11.171 5.977 1.00 63.41 H new ATOM 0 HH12 ARG A 36 -2.957 -9.513 5.710 1.00 63.41 H new ATOM 0 HH21 ARG A 36 -0.157 -8.602 3.772 1.00 33.33 H new ATOM 0 HH22 ARG A 36 -1.690 -8.065 4.467 1.00 33.33 H new ATOM 557 N LEU A 37 -0.512 -17.287 1.901 1.00 42.45 N ATOM 558 CA LEU A 37 0.083 -17.988 0.768 1.00 4.21 C ATOM 559 C LEU A 37 1.363 -17.295 0.310 1.00 31.13 C ATOM 560 O LEU A 37 1.498 -16.925 -0.856 1.00 55.41 O ATOM 561 CB LEU A 37 -0.912 -18.063 -0.391 1.00 12.02 C ATOM 562 CG LEU A 37 -1.906 -19.224 -0.348 1.00 21.33 C ATOM 563 CD1 LEU A 37 -1.173 -20.556 -0.388 1.00 23.02 C ATOM 564 CD2 LEU A 37 -2.781 -19.132 0.894 1.00 5.02 C ATOM 0 H LEU A 37 -0.685 -17.874 2.717 1.00 42.45 H new ATOM 0 HA LEU A 37 0.334 -18.999 1.089 1.00 4.21 H new ATOM 0 HB2 LEU A 37 -1.475 -17.130 -0.421 1.00 12.02 H new ATOM 0 HB3 LEU A 37 -0.350 -18.127 -1.323 1.00 12.02 H new ATOM 0 HG LEU A 37 -2.548 -19.159 -1.226 1.00 21.33 H new ATOM 0 HD11 LEU A 37 -1.897 -21.371 -0.357 1.00 23.02 H new ATOM 0 HD12 LEU A 37 -0.591 -20.623 -1.307 1.00 23.02 H new ATOM 0 HD13 LEU A 37 -0.506 -20.630 0.471 1.00 23.02 H new ATOM 0 HD21 LEU A 37 -3.482 -19.966 0.908 1.00 5.02 H new ATOM 0 HD22 LEU A 37 -2.154 -19.170 1.785 1.00 5.02 H new ATOM 0 HD23 LEU A 37 -3.335 -18.193 0.880 1.00 5.02 H new ATOM 576 N PHE A 38 2.301 -17.125 1.236 1.00 63.22 N ATOM 577 CA PHE A 38 3.571 -16.478 0.927 1.00 22.31 C ATOM 578 C PHE A 38 4.546 -17.467 0.294 1.00 33.43 C ATOM 579 O PHE A 38 4.715 -18.586 0.780 1.00 12.24 O ATOM 580 CB PHE A 38 4.185 -15.881 2.195 1.00 51.30 C ATOM 581 CG PHE A 38 5.100 -14.720 1.928 1.00 0.13 C ATOM 582 CD1 PHE A 38 6.436 -14.929 1.625 1.00 13.03 C ATOM 583 CD2 PHE A 38 4.625 -13.420 1.981 1.00 15.53 C ATOM 584 CE1 PHE A 38 7.280 -13.863 1.379 1.00 25.01 C ATOM 585 CE2 PHE A 38 5.464 -12.350 1.736 1.00 43.25 C ATOM 586 CZ PHE A 38 6.794 -12.572 1.435 1.00 2.33 C ATOM 0 H PHE A 38 2.206 -17.426 2.206 1.00 63.22 H new ATOM 0 HA PHE A 38 3.378 -15.678 0.213 1.00 22.31 H new ATOM 0 HB2 PHE A 38 3.384 -15.557 2.859 1.00 51.30 H new ATOM 0 HB3 PHE A 38 4.740 -16.658 2.721 1.00 51.30 H new ATOM 0 HD1 PHE A 38 6.822 -15.937 1.581 1.00 13.03 H new ATOM 0 HD2 PHE A 38 3.586 -13.241 2.217 1.00 15.53 H new ATOM 0 HE1 PHE A 38 8.319 -14.040 1.143 1.00 25.01 H new ATOM 0 HE2 PHE A 38 5.081 -11.341 1.780 1.00 43.25 H new ATOM 0 HZ PHE A 38 7.452 -11.737 1.244 1.00 2.33 H new ATOM 596 N ARG A 39 5.184 -17.047 -0.793 1.00 53.21 N ATOM 597 CA ARG A 39 6.140 -17.895 -1.494 1.00 72.31 C ATOM 598 C ARG A 39 7.161 -17.052 -2.252 1.00 70.23 C ATOM 599 O ARG A 39 6.852 -15.956 -2.719 1.00 44.33 O ATOM 600 CB ARG A 39 5.411 -18.828 -2.464 1.00 4.51 C ATOM 601 CG ARG A 39 5.416 -20.284 -2.028 1.00 51.32 C ATOM 602 CD ARG A 39 4.032 -20.739 -1.593 1.00 31.22 C ATOM 603 NE ARG A 39 4.002 -22.162 -1.264 1.00 41.14 N ATOM 604 CZ ARG A 39 2.891 -22.823 -0.959 1.00 52.42 C ATOM 605 NH1 ARG A 39 1.725 -22.192 -0.941 1.00 74.12 N ATOM 606 NH2 ARG A 39 2.945 -24.117 -0.672 1.00 13.22 N ATOM 0 H ARG A 39 5.056 -16.124 -1.208 1.00 53.21 H new ATOM 0 HA ARG A 39 6.668 -18.494 -0.752 1.00 72.31 H new ATOM 0 HB2 ARG A 39 4.379 -18.493 -2.571 1.00 4.51 H new ATOM 0 HB3 ARG A 39 5.875 -18.750 -3.447 1.00 4.51 H new ATOM 0 HG2 ARG A 39 5.765 -20.910 -2.849 1.00 51.32 H new ATOM 0 HG3 ARG A 39 6.119 -20.416 -1.206 1.00 51.32 H new ATOM 0 HD2 ARG A 39 3.716 -20.160 -0.726 1.00 31.22 H new ATOM 0 HD3 ARG A 39 3.317 -20.536 -2.390 1.00 31.22 H new ATOM 0 HE ARG A 39 4.883 -22.676 -1.269 1.00 41.14 H new ATOM 0 HH11 ARG A 39 1.680 -21.197 -1.162 1.00 74.12 H new ATOM 0 HH12 ARG A 39 0.873 -22.701 -0.707 1.00 74.12 H new ATOM 0 HH21 ARG A 39 3.840 -24.605 -0.685 1.00 13.22 H new ATOM 0 HH22 ARG A 39 2.091 -24.624 -0.438 1.00 13.22 H new ATOM 620 N VAL A 40 8.379 -17.572 -2.370 1.00 51.33 N ATOM 621 CA VAL A 40 9.446 -16.868 -3.072 1.00 14.32 C ATOM 622 C VAL A 40 9.679 -17.462 -4.456 1.00 72.31 C ATOM 623 O VAL A 40 9.509 -18.663 -4.664 1.00 34.24 O ATOM 624 CB VAL A 40 10.764 -16.912 -2.277 1.00 44.13 C ATOM 625 CG1 VAL A 40 11.829 -16.069 -2.962 1.00 63.15 C ATOM 626 CG2 VAL A 40 10.540 -16.444 -0.847 1.00 44.55 C ATOM 0 H VAL A 40 8.651 -18.478 -1.989 1.00 51.33 H new ATOM 0 HA VAL A 40 9.127 -15.831 -3.175 1.00 14.32 H new ATOM 0 HB VAL A 40 11.115 -17.943 -2.246 1.00 44.13 H new ATOM 0 HG11 VAL A 40 12.753 -16.112 -2.386 1.00 63.15 H new ATOM 0 HG12 VAL A 40 12.009 -16.455 -3.966 1.00 63.15 H new ATOM 0 HG13 VAL A 40 11.489 -15.035 -3.026 1.00 63.15 H new ATOM 0 HG21 VAL A 40 11.482 -16.482 -0.300 1.00 44.55 H new ATOM 0 HG22 VAL A 40 10.165 -15.421 -0.854 1.00 44.55 H new ATOM 0 HG23 VAL A 40 9.812 -17.094 -0.361 1.00 44.55 H new ATOM 636 N ALA A 41 10.070 -16.613 -5.401 1.00 30.14 N ATOM 637 CA ALA A 41 10.329 -17.055 -6.765 1.00 43.23 C ATOM 638 C ALA A 41 11.294 -16.110 -7.474 1.00 61.30 C ATOM 639 O ALA A 41 11.544 -14.999 -7.008 1.00 5.20 O ATOM 640 CB ALA A 41 9.025 -17.161 -7.542 1.00 65.33 C ATOM 0 H ALA A 41 10.214 -15.615 -5.246 1.00 30.14 H new ATOM 0 HA ALA A 41 10.793 -18.040 -6.720 1.00 43.23 H new ATOM 0 HB1 ALA A 41 9.234 -17.492 -8.559 1.00 65.33 H new ATOM 0 HB2 ALA A 41 8.368 -17.881 -7.054 1.00 65.33 H new ATOM 0 HB3 ALA A 41 8.538 -16.186 -7.570 1.00 65.33 H new ATOM 646 N SER A 42 11.834 -16.560 -8.603 1.00 35.15 N ATOM 647 CA SER A 42 12.775 -15.756 -9.373 1.00 72.23 C ATOM 648 C SER A 42 12.715 -16.120 -10.854 1.00 14.12 C ATOM 649 O SER A 42 12.286 -17.214 -11.220 1.00 35.32 O ATOM 650 CB SER A 42 14.197 -15.953 -8.846 1.00 4.22 C ATOM 651 OG SER A 42 15.130 -16.031 -9.910 1.00 73.20 O ATOM 0 H SER A 42 11.636 -17.477 -9.004 1.00 35.15 H new ATOM 0 HA SER A 42 12.496 -14.708 -9.262 1.00 72.23 H new ATOM 0 HB2 SER A 42 14.461 -15.126 -8.186 1.00 4.22 H new ATOM 0 HB3 SER A 42 14.244 -16.864 -8.250 1.00 4.22 H new ATOM 0 HG SER A 42 15.326 -15.129 -10.240 1.00 73.20 H new ATOM 657 N LYS A 43 13.148 -15.193 -11.702 1.00 73.41 N ATOM 658 CA LYS A 43 13.145 -15.414 -13.143 1.00 64.04 C ATOM 659 C LYS A 43 14.449 -16.063 -13.597 1.00 3.24 C ATOM 660 O LYS A 43 14.444 -16.989 -14.407 1.00 73.42 O ATOM 661 CB LYS A 43 12.938 -14.090 -13.882 1.00 63.04 C ATOM 662 CG LYS A 43 11.814 -14.132 -14.903 1.00 21.32 C ATOM 663 CD LYS A 43 11.231 -12.751 -15.148 1.00 1.31 C ATOM 664 CE LYS A 43 12.124 -11.923 -16.060 1.00 14.10 C ATOM 665 NZ LYS A 43 13.072 -11.074 -15.287 1.00 32.13 N ATOM 0 H LYS A 43 13.505 -14.282 -11.416 1.00 73.41 H new ATOM 0 HA LYS A 43 12.322 -16.088 -13.380 1.00 64.04 H new ATOM 0 HB2 LYS A 43 12.727 -13.307 -13.154 1.00 63.04 H new ATOM 0 HB3 LYS A 43 13.865 -13.816 -14.386 1.00 63.04 H new ATOM 0 HG2 LYS A 43 12.189 -14.541 -15.841 1.00 21.32 H new ATOM 0 HG3 LYS A 43 11.029 -14.803 -14.554 1.00 21.32 H new ATOM 0 HD2 LYS A 43 10.241 -12.847 -15.595 1.00 1.31 H new ATOM 0 HD3 LYS A 43 11.102 -12.235 -14.196 1.00 1.31 H new ATOM 0 HE2 LYS A 43 12.685 -12.586 -16.719 1.00 14.10 H new ATOM 0 HE3 LYS A 43 11.506 -11.290 -16.696 1.00 14.10 H new ATOM 0 HZ1 LYS A 43 12.810 -10.074 -15.395 1.00 32.13 H new ATOM 0 HZ2 LYS A 43 13.032 -11.336 -14.281 1.00 32.13 H new ATOM 0 HZ3 LYS A 43 14.038 -11.219 -15.644 1.00 32.13 H new ATOM 679 N ASP A 44 15.564 -15.571 -13.068 1.00 24.34 N ATOM 680 CA ASP A 44 16.876 -16.105 -13.416 1.00 31.30 C ATOM 681 C ASP A 44 16.908 -17.621 -13.248 1.00 74.21 C ATOM 682 O ASP A 44 16.872 -18.365 -14.228 1.00 63.04 O ATOM 683 CB ASP A 44 17.959 -15.461 -12.549 1.00 61.04 C ATOM 684 CG ASP A 44 18.749 -14.407 -13.299 1.00 44.33 C ATOM 685 OD1 ASP A 44 18.209 -13.302 -13.514 1.00 72.04 O ATOM 686 OD2 ASP A 44 19.908 -14.687 -13.672 1.00 3.32 O ATOM 0 H ASP A 44 15.586 -14.803 -12.397 1.00 24.34 H new ATOM 0 HA ASP A 44 17.071 -15.869 -14.462 1.00 31.30 H new ATOM 0 HB2 ASP A 44 17.497 -15.009 -11.672 1.00 61.04 H new ATOM 0 HB3 ASP A 44 18.639 -16.233 -12.189 1.00 61.04 H new ATOM 691 N ARG A 45 16.975 -18.072 -12.000 1.00 3.14 N ATOM 692 CA ARG A 45 17.014 -19.499 -11.704 1.00 2.14 C ATOM 693 C ARG A 45 15.793 -19.919 -10.891 1.00 73.14 C ATOM 694 O ARG A 45 15.461 -21.101 -10.817 1.00 32.41 O ATOM 695 CB ARG A 45 18.293 -19.848 -10.940 1.00 32.24 C ATOM 696 CG ARG A 45 19.416 -20.353 -11.831 1.00 32.44 C ATOM 697 CD ARG A 45 20.740 -20.403 -11.084 1.00 53.21 C ATOM 698 NE ARG A 45 21.881 -20.242 -11.982 1.00 35.03 N ATOM 699 CZ ARG A 45 22.187 -19.098 -12.583 1.00 51.10 C ATOM 700 NH1 ARG A 45 21.442 -18.020 -12.383 1.00 54.31 N ATOM 701 NH2 ARG A 45 23.241 -19.031 -13.386 1.00 2.51 N ATOM 0 H ARG A 45 17.003 -17.470 -11.177 1.00 3.14 H new ATOM 0 HA ARG A 45 17.004 -20.041 -12.650 1.00 2.14 H new ATOM 0 HB2 ARG A 45 18.637 -18.965 -10.402 1.00 32.24 H new ATOM 0 HB3 ARG A 45 18.064 -20.608 -10.193 1.00 32.24 H new ATOM 0 HG2 ARG A 45 19.168 -21.348 -12.202 1.00 32.44 H new ATOM 0 HG3 ARG A 45 19.512 -19.703 -12.701 1.00 32.44 H new ATOM 0 HD2 ARG A 45 20.760 -19.618 -10.328 1.00 53.21 H new ATOM 0 HD3 ARG A 45 20.824 -21.354 -10.558 1.00 53.21 H new ATOM 0 HE ARG A 45 22.475 -21.053 -12.157 1.00 35.03 H new ATOM 0 HH11 ARG A 45 20.631 -18.068 -11.766 1.00 54.31 H new ATOM 0 HH12 ARG A 45 21.680 -17.143 -12.846 1.00 54.31 H new ATOM 0 HH21 ARG A 45 23.817 -19.858 -13.542 1.00 2.51 H new ATOM 0 HH22 ARG A 45 23.476 -18.152 -13.847 1.00 2.51 H new ATOM 715 N GLY A 46 15.128 -18.941 -10.283 1.00 74.42 N ATOM 716 CA GLY A 46 13.951 -19.230 -9.484 1.00 42.00 C ATOM 717 C GLY A 46 14.301 -19.688 -8.082 1.00 13.31 C ATOM 718 O GLY A 46 13.416 -19.904 -7.254 1.00 30.04 O ATOM 0 H GLY A 46 15.383 -17.954 -10.329 1.00 74.42 H new ATOM 0 HA2 GLY A 46 13.327 -18.338 -9.427 1.00 42.00 H new ATOM 0 HA3 GLY A 46 13.360 -20.001 -9.978 1.00 42.00 H new ATOM 722 N ASP A 47 15.593 -19.837 -7.815 1.00 65.43 N ATOM 723 CA ASP A 47 16.058 -20.273 -6.504 1.00 22.44 C ATOM 724 C ASP A 47 17.246 -19.435 -6.042 1.00 22.22 C ATOM 725 O ASP A 47 18.367 -19.934 -5.934 1.00 22.21 O ATOM 726 CB ASP A 47 16.446 -21.752 -6.542 1.00 32.41 C ATOM 727 CG ASP A 47 16.748 -22.308 -5.164 1.00 12.32 C ATOM 728 OD1 ASP A 47 15.798 -22.739 -4.476 1.00 42.33 O ATOM 729 OD2 ASP A 47 17.934 -22.312 -4.773 1.00 53.02 O ATOM 0 H ASP A 47 16.338 -19.662 -8.490 1.00 65.43 H new ATOM 0 HA ASP A 47 15.242 -20.137 -5.794 1.00 22.44 H new ATOM 0 HB2 ASP A 47 15.636 -22.326 -6.992 1.00 32.41 H new ATOM 0 HB3 ASP A 47 17.320 -21.879 -7.181 1.00 32.41 H new ATOM 734 N LEU A 48 16.994 -18.159 -5.771 1.00 71.35 N ATOM 735 CA LEU A 48 18.043 -17.251 -5.322 1.00 51.51 C ATOM 736 C LEU A 48 18.074 -17.165 -3.799 1.00 61.45 C ATOM 737 O LEU A 48 19.141 -17.214 -3.186 1.00 21.31 O ATOM 738 CB LEU A 48 17.828 -15.858 -5.918 1.00 23.11 C ATOM 739 CG LEU A 48 17.693 -15.793 -7.440 1.00 4.44 C ATOM 740 CD1 LEU A 48 17.004 -14.504 -7.859 1.00 52.24 C ATOM 741 CD2 LEU A 48 19.059 -15.909 -8.102 1.00 34.25 C ATOM 0 H LEU A 48 16.072 -17.730 -5.854 1.00 71.35 H new ATOM 0 HA LEU A 48 19.000 -17.643 -5.665 1.00 51.51 H new ATOM 0 HB2 LEU A 48 16.929 -15.430 -5.475 1.00 23.11 H new ATOM 0 HB3 LEU A 48 18.663 -15.224 -5.620 1.00 23.11 H new ATOM 0 HG LEU A 48 17.080 -16.633 -7.768 1.00 4.44 H new ATOM 0 HD11 LEU A 48 16.916 -14.475 -8.945 1.00 52.24 H new ATOM 0 HD12 LEU A 48 16.010 -14.461 -7.414 1.00 52.24 H new ATOM 0 HD13 LEU A 48 17.591 -13.651 -7.519 1.00 52.24 H new ATOM 0 HD21 LEU A 48 18.944 -15.861 -9.185 1.00 34.25 H new ATOM 0 HD22 LEU A 48 19.696 -15.090 -7.768 1.00 34.25 H new ATOM 0 HD23 LEU A 48 19.517 -16.859 -7.828 1.00 34.25 H new ATOM 753 N LEU A 49 16.898 -17.040 -3.195 1.00 51.20 N ATOM 754 CA LEU A 49 16.790 -16.950 -1.743 1.00 34.30 C ATOM 755 C LEU A 49 15.453 -17.505 -1.261 1.00 54.45 C ATOM 756 O LEU A 49 14.650 -17.992 -2.057 1.00 13.53 O ATOM 757 CB LEU A 49 16.946 -15.498 -1.289 1.00 12.03 C ATOM 758 CG LEU A 49 18.363 -14.926 -1.344 1.00 72.14 C ATOM 759 CD1 LEU A 49 18.649 -14.343 -2.719 1.00 44.33 C ATOM 760 CD2 LEU A 49 18.555 -13.871 -0.265 1.00 31.13 C ATOM 0 H LEU A 49 16.006 -16.999 -3.688 1.00 51.20 H new ATOM 0 HA LEU A 49 17.590 -17.548 -1.306 1.00 34.30 H new ATOM 0 HB2 LEU A 49 16.300 -14.874 -1.906 1.00 12.03 H new ATOM 0 HB3 LEU A 49 16.583 -15.418 -0.264 1.00 12.03 H new ATOM 0 HG LEU A 49 19.069 -15.736 -1.161 1.00 72.14 H new ATOM 0 HD11 LEU A 49 19.662 -13.940 -2.740 1.00 44.33 H new ATOM 0 HD12 LEU A 49 18.553 -15.125 -3.473 1.00 44.33 H new ATOM 0 HD13 LEU A 49 17.937 -13.545 -2.931 1.00 44.33 H new ATOM 0 HD21 LEU A 49 19.569 -13.475 -0.319 1.00 31.13 H new ATOM 0 HD22 LEU A 49 17.841 -13.062 -0.416 1.00 31.13 H new ATOM 0 HD23 LEU A 49 18.393 -14.319 0.715 1.00 31.13 H new ATOM 772 N GLU A 50 15.221 -17.425 0.045 1.00 14.31 N ATOM 773 CA GLU A 50 13.980 -17.917 0.631 1.00 33.44 C ATOM 774 C GLU A 50 13.667 -17.189 1.935 1.00 0.41 C ATOM 775 O GLU A 50 14.571 -16.803 2.676 1.00 2.12 O ATOM 776 CB GLU A 50 14.073 -19.423 0.886 1.00 74.41 C ATOM 777 CG GLU A 50 13.480 -20.267 -0.230 1.00 50.03 C ATOM 778 CD GLU A 50 14.443 -21.323 -0.738 1.00 12.23 C ATOM 779 OE1 GLU A 50 14.718 -22.284 0.010 1.00 74.42 O ATOM 780 OE2 GLU A 50 14.921 -21.187 -1.883 1.00 43.14 O ATOM 0 H GLU A 50 15.876 -17.024 0.717 1.00 14.31 H new ATOM 0 HA GLU A 50 13.173 -17.723 -0.076 1.00 33.44 H new ATOM 0 HB2 GLU A 50 15.120 -19.696 1.020 1.00 74.41 H new ATOM 0 HB3 GLU A 50 13.560 -19.657 1.819 1.00 74.41 H new ATOM 0 HG2 GLU A 50 12.572 -20.751 0.129 1.00 50.03 H new ATOM 0 HG3 GLU A 50 13.190 -19.618 -1.056 1.00 50.03 H new ATOM 787 N VAL A 51 12.379 -17.003 2.208 1.00 4.23 N ATOM 788 CA VAL A 51 11.946 -16.321 3.422 1.00 70.10 C ATOM 789 C VAL A 51 11.517 -17.320 4.490 1.00 35.52 C ATOM 790 O VAL A 51 10.933 -18.359 4.184 1.00 62.32 O ATOM 791 CB VAL A 51 10.779 -15.357 3.138 1.00 50.12 C ATOM 792 CG1 VAL A 51 9.661 -16.075 2.398 1.00 34.24 C ATOM 793 CG2 VAL A 51 10.266 -14.745 4.433 1.00 62.40 C ATOM 0 H VAL A 51 11.618 -17.315 1.605 1.00 4.23 H new ATOM 0 HA VAL A 51 12.800 -15.749 3.786 1.00 70.10 H new ATOM 0 HB VAL A 51 11.144 -14.551 2.502 1.00 50.12 H new ATOM 0 HG11 VAL A 51 8.845 -15.378 2.206 1.00 34.24 H new ATOM 0 HG12 VAL A 51 10.040 -16.460 1.451 1.00 34.24 H new ATOM 0 HG13 VAL A 51 9.295 -16.903 3.006 1.00 34.24 H new ATOM 0 HG21 VAL A 51 9.442 -14.067 4.213 1.00 62.40 H new ATOM 0 HG22 VAL A 51 9.918 -15.537 5.096 1.00 62.40 H new ATOM 0 HG23 VAL A 51 11.071 -14.193 4.918 1.00 62.40 H new ATOM 803 N ASN A 52 11.809 -16.998 5.746 1.00 61.30 N ATOM 804 CA ASN A 52 11.453 -17.868 6.861 1.00 31.20 C ATOM 805 C ASN A 52 10.190 -17.370 7.558 1.00 65.01 C ATOM 806 O ASN A 52 10.121 -16.220 7.993 1.00 51.30 O ATOM 807 CB ASN A 52 12.606 -17.945 7.864 1.00 40.22 C ATOM 808 CG ASN A 52 12.307 -18.882 9.018 1.00 2.10 C ATOM 809 OD1 ASN A 52 11.284 -19.567 9.027 1.00 2.33 O ATOM 810 ND2 ASN A 52 13.202 -18.916 9.999 1.00 14.10 N ATOM 0 H ASN A 52 12.291 -16.141 6.017 1.00 61.30 H new ATOM 0 HA ASN A 52 11.259 -18.864 6.464 1.00 31.20 H new ATOM 0 HB2 ASN A 52 13.508 -18.280 7.352 1.00 40.22 H new ATOM 0 HB3 ASN A 52 12.813 -16.948 8.253 1.00 40.22 H new ATOM 0 HD21 ASN A 52 13.055 -19.528 10.802 1.00 14.10 H new ATOM 0 HD22 ASN A 52 14.036 -18.331 9.949 1.00 14.10 H new ATOM 817 N LEU A 53 9.195 -18.243 7.661 1.00 33.20 N ATOM 818 CA LEU A 53 7.934 -17.893 8.306 1.00 72.20 C ATOM 819 C LEU A 53 8.109 -17.776 9.817 1.00 70.53 C ATOM 820 O LEU A 53 7.201 -17.340 10.524 1.00 44.22 O ATOM 821 CB LEU A 53 6.866 -18.940 7.984 1.00 11.02 C ATOM 822 CG LEU A 53 6.279 -18.889 6.573 1.00 2.41 C ATOM 823 CD1 LEU A 53 6.676 -20.127 5.785 1.00 41.04 C ATOM 824 CD2 LEU A 53 4.765 -18.753 6.630 1.00 54.23 C ATOM 0 H LEU A 53 9.236 -19.198 7.306 1.00 33.20 H new ATOM 0 HA LEU A 53 7.613 -16.925 7.920 1.00 72.20 H new ATOM 0 HB2 LEU A 53 7.296 -19.929 8.141 1.00 11.02 H new ATOM 0 HB3 LEU A 53 6.051 -18.830 8.699 1.00 11.02 H new ATOM 0 HG LEU A 53 6.683 -18.014 6.063 1.00 2.41 H new ATOM 0 HD11 LEU A 53 6.249 -20.073 4.783 1.00 41.04 H new ATOM 0 HD12 LEU A 53 7.762 -20.180 5.714 1.00 41.04 H new ATOM 0 HD13 LEU A 53 6.301 -21.016 6.292 1.00 41.04 H new ATOM 0 HD21 LEU A 53 4.364 -18.718 5.617 1.00 54.23 H new ATOM 0 HD22 LEU A 53 4.343 -19.608 7.158 1.00 54.23 H new ATOM 0 HD23 LEU A 53 4.502 -17.835 7.156 1.00 54.23 H new ATOM 836 N GLN A 54 9.282 -18.168 10.303 1.00 3.12 N ATOM 837 CA GLN A 54 9.576 -18.105 11.730 1.00 23.40 C ATOM 838 C GLN A 54 9.580 -16.662 12.222 1.00 1.13 C ATOM 839 O GLN A 54 8.770 -16.282 13.066 1.00 1.25 O ATOM 840 CB GLN A 54 10.927 -18.760 12.023 1.00 63.20 C ATOM 841 CG GLN A 54 11.089 -19.201 13.469 1.00 72.43 C ATOM 842 CD GLN A 54 12.520 -19.564 13.812 1.00 42.11 C ATOM 843 OE1 GLN A 54 13.378 -19.654 12.933 1.00 73.02 O ATOM 844 NE2 GLN A 54 12.786 -19.774 15.096 1.00 64.23 N ATOM 0 H GLN A 54 10.044 -18.532 9.731 1.00 3.12 H new ATOM 0 HA GLN A 54 8.794 -18.648 12.261 1.00 23.40 H new ATOM 0 HB2 GLN A 54 11.050 -19.625 11.372 1.00 63.20 H new ATOM 0 HB3 GLN A 54 11.723 -18.058 11.775 1.00 63.20 H new ATOM 0 HG2 GLN A 54 10.753 -18.401 14.129 1.00 72.43 H new ATOM 0 HG3 GLN A 54 10.445 -20.060 13.657 1.00 72.43 H new ATOM 0 HE21 GLN A 54 12.044 -19.689 15.791 1.00 64.23 H new ATOM 0 HE22 GLN A 54 13.732 -20.021 15.387 1.00 64.23 H new ATOM 853 N ASN A 55 10.498 -15.862 11.689 1.00 60.33 N ATOM 854 CA ASN A 55 10.608 -14.460 12.075 1.00 72.23 C ATOM 855 C ASN A 55 10.343 -13.545 10.883 1.00 75.51 C ATOM 856 O ASN A 55 10.030 -12.367 11.049 1.00 60.22 O ATOM 857 CB ASN A 55 11.996 -14.176 12.651 1.00 2.32 C ATOM 858 CG ASN A 55 11.934 -13.615 14.059 1.00 50.12 C ATOM 859 OD1 ASN A 55 11.602 -14.325 15.008 1.00 61.41 O ATOM 860 ND2 ASN A 55 12.254 -12.334 14.200 1.00 53.22 N ATOM 0 H ASN A 55 11.176 -16.161 10.988 1.00 60.33 H new ATOM 0 HA ASN A 55 9.857 -14.259 12.839 1.00 72.23 H new ATOM 0 HB2 ASN A 55 12.580 -15.096 12.655 1.00 2.32 H new ATOM 0 HB3 ASN A 55 12.517 -13.470 12.004 1.00 2.32 H new ATOM 0 HD21 ASN A 55 12.230 -11.901 15.123 1.00 53.22 H new ATOM 0 HD22 ASN A 55 12.523 -11.783 13.385 1.00 53.22 H new ATOM 867 N GLY A 56 10.469 -14.098 9.680 1.00 41.30 N ATOM 868 CA GLY A 56 10.239 -13.318 8.478 1.00 43.02 C ATOM 869 C GLY A 56 11.530 -12.906 7.799 1.00 42.53 C ATOM 870 O GLY A 56 11.527 -12.515 6.631 1.00 65.12 O ATOM 0 H GLY A 56 10.726 -15.071 9.517 1.00 41.30 H new ATOM 0 HA2 GLY A 56 9.635 -13.899 7.781 1.00 43.02 H new ATOM 0 HA3 GLY A 56 9.665 -12.427 8.731 1.00 43.02 H new ATOM 874 N ILE A 57 12.635 -12.990 8.531 1.00 24.32 N ATOM 875 CA ILE A 57 13.939 -12.622 7.992 1.00 33.02 C ATOM 876 C ILE A 57 14.222 -13.358 6.687 1.00 74.10 C ATOM 877 O ILE A 57 13.812 -14.506 6.507 1.00 13.40 O ATOM 878 CB ILE A 57 15.068 -12.924 8.994 1.00 23.43 C ATOM 879 CG1 ILE A 57 16.398 -12.367 8.481 1.00 33.31 C ATOM 880 CG2 ILE A 57 15.174 -14.423 9.237 1.00 0.40 C ATOM 881 CD1 ILE A 57 16.379 -10.872 8.255 1.00 2.33 C ATOM 0 H ILE A 57 12.654 -13.310 9.499 1.00 24.32 H new ATOM 0 HA ILE A 57 13.910 -11.549 7.802 1.00 33.02 H new ATOM 0 HB ILE A 57 14.833 -12.438 9.941 1.00 23.43 H new ATOM 0 HG12 ILE A 57 17.184 -12.608 9.197 1.00 33.31 H new ATOM 0 HG13 ILE A 57 16.655 -12.865 7.546 1.00 33.31 H new ATOM 0 HG21 ILE A 57 15.977 -14.621 9.948 1.00 0.40 H new ATOM 0 HG22 ILE A 57 14.232 -14.794 9.641 1.00 0.40 H new ATOM 0 HG23 ILE A 57 15.389 -14.930 8.296 1.00 0.40 H new ATOM 0 HD11 ILE A 57 17.354 -10.546 7.892 1.00 2.33 H new ATOM 0 HD12 ILE A 57 15.616 -10.625 7.517 1.00 2.33 H new ATOM 0 HD13 ILE A 57 16.154 -10.365 9.193 1.00 2.33 H new ATOM 893 N LEU A 58 14.926 -12.692 5.779 1.00 3.33 N ATOM 894 CA LEU A 58 15.267 -13.283 4.490 1.00 52.12 C ATOM 895 C LEU A 58 16.682 -13.852 4.508 1.00 11.04 C ATOM 896 O LEU A 58 17.653 -13.123 4.714 1.00 73.21 O ATOM 897 CB LEU A 58 15.139 -12.240 3.378 1.00 11.35 C ATOM 898 CG LEU A 58 14.781 -12.776 1.992 1.00 30.31 C ATOM 899 CD1 LEU A 58 15.885 -13.681 1.468 1.00 24.24 C ATOM 900 CD2 LEU A 58 13.454 -13.521 2.034 1.00 3.55 C ATOM 0 H LEU A 58 15.272 -11.742 5.912 1.00 3.33 H new ATOM 0 HA LEU A 58 14.570 -14.098 4.297 1.00 52.12 H new ATOM 0 HB2 LEU A 58 14.380 -11.516 3.673 1.00 11.35 H new ATOM 0 HB3 LEU A 58 16.083 -11.700 3.304 1.00 11.35 H new ATOM 0 HG LEU A 58 14.679 -11.930 1.312 1.00 30.31 H new ATOM 0 HD11 LEU A 58 15.612 -14.053 0.480 1.00 24.24 H new ATOM 0 HD12 LEU A 58 16.816 -13.118 1.399 1.00 24.24 H new ATOM 0 HD13 LEU A 58 16.020 -14.522 2.148 1.00 24.24 H new ATOM 0 HD21 LEU A 58 13.215 -13.895 1.039 1.00 3.55 H new ATOM 0 HD22 LEU A 58 13.528 -14.358 2.728 1.00 3.55 H new ATOM 0 HD23 LEU A 58 12.667 -12.844 2.365 1.00 3.55 H new ATOM 912 N PHE A 59 16.792 -15.158 4.290 1.00 33.33 N ATOM 913 CA PHE A 59 18.088 -15.825 4.281 1.00 64.44 C ATOM 914 C PHE A 59 18.500 -16.193 2.858 1.00 3.11 C ATOM 915 O PHE A 59 17.668 -16.248 1.953 1.00 35.01 O ATOM 916 CB PHE A 59 18.045 -17.082 5.152 1.00 25.41 C ATOM 917 CG PHE A 59 16.954 -18.040 4.769 1.00 33.22 C ATOM 918 CD1 PHE A 59 15.688 -17.925 5.321 1.00 52.44 C ATOM 919 CD2 PHE A 59 17.193 -19.056 3.858 1.00 41.23 C ATOM 920 CE1 PHE A 59 14.682 -18.805 4.971 1.00 72.34 C ATOM 921 CE2 PHE A 59 16.191 -19.939 3.503 1.00 32.24 C ATOM 922 CZ PHE A 59 14.933 -19.813 4.060 1.00 2.00 C ATOM 0 H PHE A 59 15.999 -15.776 4.117 1.00 33.33 H new ATOM 0 HA PHE A 59 18.827 -15.135 4.688 1.00 64.44 H new ATOM 0 HB2 PHE A 59 19.006 -17.593 5.086 1.00 25.41 H new ATOM 0 HB3 PHE A 59 17.911 -16.788 6.193 1.00 25.41 H new ATOM 0 HD1 PHE A 59 15.485 -17.139 6.033 1.00 52.44 H new ATOM 0 HD2 PHE A 59 18.175 -19.159 3.420 1.00 41.23 H new ATOM 0 HE1 PHE A 59 13.700 -18.705 5.409 1.00 72.34 H new ATOM 0 HE2 PHE A 59 16.391 -20.726 2.791 1.00 32.24 H new ATOM 0 HZ PHE A 59 14.148 -20.501 3.784 1.00 2.00 H new ATOM 932 N VAL A 60 19.792 -16.443 2.668 1.00 20.14 N ATOM 933 CA VAL A 60 20.316 -16.806 1.357 1.00 11.01 C ATOM 934 C VAL A 60 19.962 -18.246 1.003 1.00 24.13 C ATOM 935 O VAL A 60 19.918 -19.116 1.872 1.00 70.21 O ATOM 936 CB VAL A 60 21.845 -16.635 1.297 1.00 44.33 C ATOM 937 CG1 VAL A 60 22.365 -16.960 -0.095 1.00 72.05 C ATOM 938 CG2 VAL A 60 22.240 -15.223 1.705 1.00 34.55 C ATOM 0 H VAL A 60 20.495 -16.401 3.406 1.00 20.14 H new ATOM 0 HA VAL A 60 19.854 -16.133 0.634 1.00 11.01 H new ATOM 0 HB VAL A 60 22.298 -17.333 2.001 1.00 44.33 H new ATOM 0 HG11 VAL A 60 23.447 -16.833 -0.118 1.00 72.05 H new ATOM 0 HG12 VAL A 60 22.115 -17.991 -0.345 1.00 72.05 H new ATOM 0 HG13 VAL A 60 21.906 -16.289 -0.821 1.00 72.05 H new ATOM 0 HG21 VAL A 60 23.324 -15.120 1.657 1.00 34.55 H new ATOM 0 HG22 VAL A 60 21.777 -14.506 1.028 1.00 34.55 H new ATOM 0 HG23 VAL A 60 21.902 -15.031 2.723 1.00 34.55 H new ATOM 948 N ASN A 61 19.712 -18.490 -0.279 1.00 31.31 N ATOM 949 CA ASN A 61 19.362 -19.826 -0.748 1.00 61.04 C ATOM 950 C ASN A 61 19.860 -20.049 -2.173 1.00 72.52 C ATOM 951 O ASN A 61 19.125 -20.544 -3.028 1.00 51.11 O ATOM 952 CB ASN A 61 17.847 -20.030 -0.688 1.00 30.13 C ATOM 953 CG ASN A 61 17.469 -21.449 -0.307 1.00 44.32 C ATOM 954 OD1 ASN A 61 17.232 -21.747 0.863 1.00 15.23 O ATOM 955 ND2 ASN A 61 17.413 -22.332 -1.297 1.00 42.45 N ATOM 0 H ASN A 61 19.745 -17.781 -1.011 1.00 31.31 H new ATOM 0 HA ASN A 61 19.846 -20.552 -0.094 1.00 61.04 H new ATOM 0 HB2 ASN A 61 17.418 -19.336 0.035 1.00 30.13 H new ATOM 0 HB3 ASN A 61 17.412 -19.789 -1.658 1.00 30.13 H new ATOM 0 HD21 ASN A 61 17.165 -23.302 -1.102 1.00 42.45 H new ATOM 0 HD22 ASN A 61 17.617 -22.040 -2.253 1.00 42.45 H new ATOM 962 N SER A 62 21.113 -19.682 -2.421 1.00 30.11 N ATOM 963 CA SER A 62 21.709 -19.839 -3.743 1.00 34.34 C ATOM 964 C SER A 62 23.187 -19.463 -3.721 1.00 10.05 C ATOM 965 O SER A 62 23.775 -19.274 -2.655 1.00 53.35 O ATOM 966 CB SER A 62 20.966 -18.977 -4.766 1.00 24.05 C ATOM 967 OG SER A 62 21.442 -17.642 -4.748 1.00 31.20 O ATOM 0 H SER A 62 21.736 -19.274 -1.724 1.00 30.11 H new ATOM 0 HA SER A 62 21.623 -20.887 -4.031 1.00 34.34 H new ATOM 0 HB2 SER A 62 21.094 -19.399 -5.763 1.00 24.05 H new ATOM 0 HB3 SER A 62 19.898 -18.989 -4.549 1.00 24.05 H new ATOM 0 HG SER A 62 20.829 -17.083 -4.227 1.00 31.20 H new ATOM 973 N ARG A 63 23.782 -19.357 -4.904 1.00 53.53 N ATOM 974 CA ARG A 63 25.191 -19.004 -5.022 1.00 65.30 C ATOM 975 C ARG A 63 25.379 -17.491 -4.976 1.00 44.31 C ATOM 976 O ARG A 63 24.936 -16.773 -5.873 1.00 43.02 O ATOM 977 CB ARG A 63 25.771 -19.562 -6.323 1.00 44.43 C ATOM 978 CG ARG A 63 25.419 -21.019 -6.572 1.00 71.02 C ATOM 979 CD ARG A 63 26.116 -21.938 -5.581 1.00 50.21 C ATOM 980 NE ARG A 63 27.090 -22.808 -6.234 1.00 25.14 N ATOM 981 CZ ARG A 63 26.758 -23.876 -6.951 1.00 2.23 C ATOM 982 NH1 ARG A 63 25.483 -24.203 -7.107 1.00 11.11 N ATOM 983 NH2 ARG A 63 27.703 -24.619 -7.514 1.00 13.53 N ATOM 0 H ARG A 63 23.310 -19.511 -5.795 1.00 53.53 H new ATOM 0 HA ARG A 63 25.722 -19.444 -4.177 1.00 65.30 H new ATOM 0 HB2 ARG A 63 25.410 -18.962 -7.158 1.00 44.43 H new ATOM 0 HB3 ARG A 63 26.856 -19.458 -6.301 1.00 44.43 H new ATOM 0 HG2 ARG A 63 24.340 -21.152 -6.496 1.00 71.02 H new ATOM 0 HG3 ARG A 63 25.703 -21.295 -7.588 1.00 71.02 H new ATOM 0 HD2 ARG A 63 26.617 -21.338 -4.821 1.00 50.21 H new ATOM 0 HD3 ARG A 63 25.373 -22.547 -5.067 1.00 50.21 H new ATOM 0 HE ARG A 63 28.080 -22.583 -6.134 1.00 25.14 H new ATOM 0 HH11 ARG A 63 24.754 -23.634 -6.676 1.00 11.11 H new ATOM 0 HH12 ARG A 63 25.231 -25.023 -7.658 1.00 11.11 H new ATOM 0 HH21 ARG A 63 28.685 -24.370 -7.396 1.00 13.53 H new ATOM 0 HH22 ARG A 63 27.447 -25.439 -8.064 1.00 13.53 H new ATOM 997 N ILE A 64 26.038 -17.013 -3.926 1.00 30.14 N ATOM 998 CA ILE A 64 26.285 -15.586 -3.764 1.00 14.35 C ATOM 999 C ILE A 64 27.755 -15.253 -3.992 1.00 1.55 C ATOM 1000 O ILE A 64 28.112 -14.096 -4.218 1.00 63.43 O ATOM 1001 CB ILE A 64 25.871 -15.098 -2.362 1.00 73.34 C ATOM 1002 CG1 ILE A 64 24.433 -15.523 -2.055 1.00 42.20 C ATOM 1003 CG2 ILE A 64 26.015 -13.587 -2.263 1.00 63.12 C ATOM 1004 CD1 ILE A 64 23.419 -14.979 -3.037 1.00 44.30 C ATOM 0 H ILE A 64 26.411 -17.593 -3.175 1.00 30.14 H new ATOM 0 HA ILE A 64 25.679 -15.074 -4.512 1.00 14.35 H new ATOM 0 HB ILE A 64 26.531 -15.555 -1.624 1.00 73.34 H new ATOM 0 HG12 ILE A 64 24.377 -16.612 -2.053 1.00 42.20 H new ATOM 0 HG13 ILE A 64 24.170 -15.189 -1.051 1.00 42.20 H new ATOM 0 HG21 ILE A 64 25.719 -13.258 -1.267 1.00 63.12 H new ATOM 0 HG22 ILE A 64 27.053 -13.308 -2.444 1.00 63.12 H new ATOM 0 HG23 ILE A 64 25.376 -13.111 -3.007 1.00 63.12 H new ATOM 0 HD11 ILE A 64 22.422 -15.321 -2.758 1.00 44.30 H new ATOM 0 HD12 ILE A 64 23.447 -13.889 -3.022 1.00 44.30 H new ATOM 0 HD13 ILE A 64 23.656 -15.335 -4.040 1.00 44.30 H new ATOM 1016 N ASP A 65 28.603 -16.273 -3.931 1.00 63.14 N ATOM 1017 CA ASP A 65 30.036 -16.090 -4.134 1.00 53.24 C ATOM 1018 C ASP A 65 30.318 -15.499 -5.512 1.00 61.54 C ATOM 1019 O ASP A 65 29.628 -15.808 -6.484 1.00 61.31 O ATOM 1020 CB ASP A 65 30.770 -17.422 -3.977 1.00 35.53 C ATOM 1021 CG ASP A 65 30.088 -18.551 -4.726 1.00 1.24 C ATOM 1022 OD1 ASP A 65 29.772 -18.365 -5.920 1.00 11.04 O ATOM 1023 OD2 ASP A 65 29.872 -19.620 -4.118 1.00 53.11 O ATOM 0 H ASP A 65 28.323 -17.236 -3.743 1.00 63.14 H new ATOM 0 HA ASP A 65 30.399 -15.394 -3.378 1.00 53.24 H new ATOM 0 HB2 ASP A 65 31.792 -17.315 -4.339 1.00 35.53 H new ATOM 0 HB3 ASP A 65 30.832 -17.677 -2.919 1.00 35.53 H new ATOM 1028 N ARG A 66 31.336 -14.648 -5.589 1.00 32.24 N ATOM 1029 CA ARG A 66 31.708 -14.013 -6.847 1.00 12.20 C ATOM 1030 C ARG A 66 31.770 -15.037 -7.976 1.00 32.50 C ATOM 1031 O ARG A 66 31.536 -14.709 -9.138 1.00 41.54 O ATOM 1032 CB ARG A 66 33.059 -13.309 -6.708 1.00 21.33 C ATOM 1033 CG ARG A 66 34.243 -14.262 -6.694 1.00 63.03 C ATOM 1034 CD ARG A 66 34.864 -14.398 -8.076 1.00 22.53 C ATOM 1035 NE ARG A 66 35.656 -13.226 -8.438 1.00 25.41 N ATOM 1036 CZ ARG A 66 36.173 -13.034 -9.646 1.00 44.53 C ATOM 1037 NH1 ARG A 66 35.982 -13.931 -10.604 1.00 0.53 N ATOM 1038 NH2 ARG A 66 36.883 -11.941 -9.899 1.00 61.20 N ATOM 0 H ARG A 66 31.918 -14.382 -4.794 1.00 32.24 H new ATOM 0 HA ARG A 66 30.945 -13.274 -7.091 1.00 12.20 H new ATOM 0 HB2 ARG A 66 33.179 -12.606 -7.532 1.00 21.33 H new ATOM 0 HB3 ARG A 66 33.062 -12.725 -5.787 1.00 21.33 H new ATOM 0 HG2 ARG A 66 34.993 -13.902 -5.990 1.00 63.03 H new ATOM 0 HG3 ARG A 66 33.919 -15.241 -6.341 1.00 63.03 H new ATOM 0 HD2 ARG A 66 35.496 -15.285 -8.103 1.00 22.53 H new ATOM 0 HD3 ARG A 66 34.076 -14.545 -8.815 1.00 22.53 H new ATOM 0 HE ARG A 66 35.821 -12.516 -7.724 1.00 25.41 H new ATOM 0 HH11 ARG A 66 35.436 -14.772 -10.414 1.00 0.53 H new ATOM 0 HH12 ARG A 66 36.381 -13.780 -11.531 1.00 0.53 H new ATOM 0 HH21 ARG A 66 37.032 -11.248 -9.165 1.00 61.20 H new ATOM 0 HH22 ARG A 66 37.280 -11.794 -10.827 1.00 61.20 H new ATOM 1052 N GLU A 67 32.087 -16.280 -7.624 1.00 54.32 N ATOM 1053 CA GLU A 67 32.180 -17.351 -8.609 1.00 25.34 C ATOM 1054 C GLU A 67 30.925 -17.407 -9.474 1.00 14.04 C ATOM 1055 O GLU A 67 30.965 -17.099 -10.664 1.00 62.33 O ATOM 1056 CB GLU A 67 32.393 -18.697 -7.912 1.00 2.12 C ATOM 1057 CG GLU A 67 33.844 -18.975 -7.556 1.00 31.32 C ATOM 1058 CD GLU A 67 34.705 -19.233 -8.777 1.00 2.20 C ATOM 1059 OE1 GLU A 67 34.145 -19.329 -9.889 1.00 24.41 O ATOM 1060 OE2 GLU A 67 35.940 -19.337 -8.620 1.00 32.30 O ATOM 0 H GLU A 67 32.283 -16.569 -6.666 1.00 54.32 H new ATOM 0 HA GLU A 67 33.034 -17.144 -9.253 1.00 25.34 H new ATOM 0 HB2 GLU A 67 31.793 -18.725 -7.003 1.00 2.12 H new ATOM 0 HB3 GLU A 67 32.027 -19.494 -8.560 1.00 2.12 H new ATOM 0 HG2 GLU A 67 34.248 -18.126 -7.004 1.00 31.32 H new ATOM 0 HG3 GLU A 67 33.892 -19.839 -6.893 1.00 31.32 H new ATOM 1067 N GLU A 68 29.811 -17.802 -8.865 1.00 32.31 N ATOM 1068 CA GLU A 68 28.544 -17.900 -9.580 1.00 13.11 C ATOM 1069 C GLU A 68 27.855 -16.540 -9.655 1.00 64.12 C ATOM 1070 O GLU A 68 27.242 -16.197 -10.667 1.00 32.13 O ATOM 1071 CB GLU A 68 27.623 -18.913 -8.895 1.00 42.55 C ATOM 1072 CG GLU A 68 27.527 -20.240 -9.629 1.00 13.05 C ATOM 1073 CD GLU A 68 28.870 -20.723 -10.140 1.00 50.34 C ATOM 1074 OE1 GLU A 68 29.667 -21.234 -9.326 1.00 73.35 O ATOM 1075 OE2 GLU A 68 29.124 -20.589 -11.356 1.00 12.30 O ATOM 0 H GLU A 68 29.760 -18.059 -7.879 1.00 32.31 H new ATOM 0 HA GLU A 68 28.754 -18.238 -10.595 1.00 13.11 H new ATOM 0 HB2 GLU A 68 27.984 -19.093 -7.882 1.00 42.55 H new ATOM 0 HB3 GLU A 68 26.625 -18.483 -8.807 1.00 42.55 H new ATOM 0 HG2 GLU A 68 27.106 -20.991 -8.961 1.00 13.05 H new ATOM 0 HG3 GLU A 68 26.839 -20.138 -10.468 1.00 13.05 H new ATOM 1082 N LEU A 69 27.961 -15.770 -8.578 1.00 42.21 N ATOM 1083 CA LEU A 69 27.349 -14.447 -8.520 1.00 51.14 C ATOM 1084 C LEU A 69 27.643 -13.655 -9.790 1.00 52.05 C ATOM 1085 O LEU A 69 26.755 -13.427 -10.613 1.00 33.45 O ATOM 1086 CB LEU A 69 27.858 -13.680 -7.299 1.00 22.45 C ATOM 1087 CG LEU A 69 27.042 -12.455 -6.886 1.00 75.24 C ATOM 1088 CD1 LEU A 69 27.247 -11.319 -7.877 1.00 34.34 C ATOM 1089 CD2 LEU A 69 25.566 -12.810 -6.777 1.00 72.02 C ATOM 0 H LEU A 69 28.465 -16.039 -7.733 1.00 42.21 H new ATOM 0 HA LEU A 69 26.270 -14.577 -8.436 1.00 51.14 H new ATOM 0 HB2 LEU A 69 27.897 -14.367 -6.454 1.00 22.45 H new ATOM 0 HB3 LEU A 69 28.881 -13.360 -7.497 1.00 22.45 H new ATOM 0 HG LEU A 69 27.389 -12.124 -5.907 1.00 75.24 H new ATOM 0 HD11 LEU A 69 26.659 -10.455 -7.567 1.00 34.34 H new ATOM 0 HD12 LEU A 69 28.302 -11.048 -7.906 1.00 34.34 H new ATOM 0 HD13 LEU A 69 26.927 -11.639 -8.869 1.00 34.34 H new ATOM 0 HD21 LEU A 69 25.000 -11.926 -6.482 1.00 72.02 H new ATOM 0 HD22 LEU A 69 25.205 -13.167 -7.742 1.00 72.02 H new ATOM 0 HD23 LEU A 69 25.434 -13.592 -6.029 1.00 72.02 H new ATOM 1101 N CYS A 70 28.895 -13.239 -9.946 1.00 23.22 N ATOM 1102 CA CYS A 70 29.308 -12.474 -11.116 1.00 61.32 C ATOM 1103 C CYS A 70 30.809 -12.615 -11.356 1.00 55.52 C ATOM 1104 O CYS A 70 31.241 -12.994 -12.444 1.00 2.43 O ATOM 1105 CB CYS A 70 28.944 -10.999 -10.941 1.00 42.53 C ATOM 1106 SG CYS A 70 27.297 -10.558 -11.583 1.00 1.22 S ATOM 0 H CYS A 70 29.642 -13.419 -9.276 1.00 23.22 H new ATOM 0 HA CYS A 70 28.781 -12.871 -11.984 1.00 61.32 H new ATOM 0 HB2 CYS A 70 28.988 -10.748 -9.881 1.00 42.53 H new ATOM 0 HB3 CYS A 70 29.694 -10.389 -11.444 1.00 42.53 H new ATOM 1111 N GLY A 71 31.598 -12.306 -10.332 1.00 13.15 N ATOM 1112 CA GLY A 71 33.041 -12.404 -10.451 1.00 13.13 C ATOM 1113 C GLY A 71 33.683 -11.082 -10.823 1.00 32.20 C ATOM 1114 O GLY A 71 33.956 -10.251 -9.957 1.00 33.24 O ATOM 0 H GLY A 71 31.264 -11.989 -9.422 1.00 13.15 H new ATOM 0 HA2 GLY A 71 33.457 -12.754 -9.506 1.00 13.13 H new ATOM 0 HA3 GLY A 71 33.290 -13.151 -11.205 1.00 13.13 H new ATOM 1118 N ARG A 72 33.926 -10.888 -12.115 1.00 3.51 N ATOM 1119 CA ARG A 72 34.543 -9.659 -12.599 1.00 43.43 C ATOM 1120 C ARG A 72 33.534 -8.515 -12.619 1.00 52.42 C ATOM 1121 O ARG A 72 33.144 -8.035 -13.684 1.00 65.41 O ATOM 1122 CB ARG A 72 35.119 -9.870 -14.001 1.00 55.21 C ATOM 1123 CG ARG A 72 36.285 -10.844 -14.041 1.00 15.05 C ATOM 1124 CD ARG A 72 37.620 -10.116 -14.020 1.00 35.12 C ATOM 1125 NE ARG A 72 38.737 -11.029 -13.796 1.00 22.03 N ATOM 1126 CZ ARG A 72 40.008 -10.642 -13.766 1.00 34.01 C ATOM 1127 NH1 ARG A 72 40.320 -9.366 -13.945 1.00 13.15 N ATOM 1128 NH2 ARG A 72 40.969 -11.532 -13.557 1.00 30.44 N ATOM 0 H ARG A 72 33.705 -11.565 -12.845 1.00 3.51 H new ATOM 0 HA ARG A 72 35.352 -9.395 -11.917 1.00 43.43 H new ATOM 0 HB2 ARG A 72 34.329 -10.235 -14.658 1.00 55.21 H new ATOM 0 HB3 ARG A 72 35.446 -8.909 -14.399 1.00 55.21 H new ATOM 0 HG2 ARG A 72 36.225 -11.520 -13.188 1.00 15.05 H new ATOM 0 HG3 ARG A 72 36.218 -11.457 -14.940 1.00 15.05 H new ATOM 0 HD2 ARG A 72 37.763 -9.593 -14.966 1.00 35.12 H new ATOM 0 HD3 ARG A 72 37.608 -9.359 -13.236 1.00 35.12 H new ATOM 0 HE ARG A 72 38.531 -12.018 -13.655 1.00 22.03 H new ATOM 0 HH11 ARG A 72 39.584 -8.679 -14.106 1.00 13.15 H new ATOM 0 HH12 ARG A 72 41.296 -9.072 -13.921 1.00 13.15 H new ATOM 0 HH21 ARG A 72 40.733 -12.515 -13.419 1.00 30.44 H new ATOM 0 HH22 ARG A 72 41.944 -11.234 -13.534 1.00 30.44 H new ATOM 1142 N SER A 73 33.114 -8.082 -11.435 1.00 34.34 N ATOM 1143 CA SER A 73 32.146 -6.998 -11.316 1.00 2.32 C ATOM 1144 C SER A 73 32.264 -6.311 -9.959 1.00 3.43 C ATOM 1145 O SER A 73 31.957 -6.901 -8.923 1.00 42.53 O ATOM 1146 CB SER A 73 30.725 -7.530 -11.509 1.00 30.34 C ATOM 1147 OG SER A 73 29.887 -6.548 -12.094 1.00 25.42 O ATOM 0 H SER A 73 33.429 -8.465 -10.544 1.00 34.34 H new ATOM 0 HA SER A 73 32.361 -6.266 -12.095 1.00 2.32 H new ATOM 0 HB2 SER A 73 30.748 -8.417 -12.143 1.00 30.34 H new ATOM 0 HB3 SER A 73 30.314 -7.836 -10.547 1.00 30.34 H new ATOM 0 HG SER A 73 28.952 -6.835 -12.029 1.00 25.42 H new ATOM 1153 N ALA A 74 32.712 -5.059 -9.973 1.00 72.30 N ATOM 1154 CA ALA A 74 32.869 -4.290 -8.745 1.00 31.11 C ATOM 1155 C ALA A 74 31.590 -4.315 -7.914 1.00 42.55 C ATOM 1156 O ALA A 74 31.635 -4.231 -6.688 1.00 30.13 O ATOM 1157 CB ALA A 74 33.264 -2.857 -9.067 1.00 40.50 C ATOM 0 H ALA A 74 32.972 -4.556 -10.822 1.00 72.30 H new ATOM 0 HA ALA A 74 33.662 -4.750 -8.156 1.00 31.11 H new ATOM 0 HB1 ALA A 74 33.378 -2.294 -8.141 1.00 40.50 H new ATOM 0 HB2 ALA A 74 34.208 -2.853 -9.612 1.00 40.50 H new ATOM 0 HB3 ALA A 74 32.490 -2.395 -9.679 1.00 40.50 H new ATOM 1163 N GLU A 75 30.452 -4.429 -8.592 1.00 0.31 N ATOM 1164 CA GLU A 75 29.161 -4.462 -7.915 1.00 30.21 C ATOM 1165 C GLU A 75 28.078 -5.019 -8.835 1.00 65.20 C ATOM 1166 O GLU A 75 27.773 -4.438 -9.877 1.00 5.22 O ATOM 1167 CB GLU A 75 28.772 -3.060 -7.442 1.00 33.13 C ATOM 1168 CG GLU A 75 28.842 -2.885 -5.934 1.00 63.11 C ATOM 1169 CD GLU A 75 28.832 -1.428 -5.515 1.00 3.12 C ATOM 1170 OE1 GLU A 75 28.109 -0.633 -6.152 1.00 24.05 O ATOM 1171 OE2 GLU A 75 29.547 -1.082 -4.551 1.00 70.30 O ATOM 0 H GLU A 75 30.398 -4.500 -9.608 1.00 0.31 H new ATOM 0 HA GLU A 75 29.251 -5.118 -7.049 1.00 30.21 H new ATOM 0 HB2 GLU A 75 29.430 -2.331 -7.915 1.00 33.13 H new ATOM 0 HB3 GLU A 75 27.759 -2.840 -7.778 1.00 33.13 H new ATOM 0 HG2 GLU A 75 27.998 -3.398 -5.473 1.00 63.11 H new ATOM 0 HG3 GLU A 75 29.748 -3.361 -5.558 1.00 63.11 H new ATOM 1178 N CYS A 76 27.501 -6.150 -8.443 1.00 24.11 N ATOM 1179 CA CYS A 76 26.454 -6.788 -9.231 1.00 52.10 C ATOM 1180 C CYS A 76 25.112 -6.722 -8.507 1.00 50.22 C ATOM 1181 O CYS A 76 25.047 -6.854 -7.285 1.00 41.50 O ATOM 1182 CB CYS A 76 26.819 -8.245 -9.519 1.00 61.40 C ATOM 1183 SG CYS A 76 27.189 -8.587 -11.270 1.00 25.24 S ATOM 0 H CYS A 76 27.741 -6.644 -7.583 1.00 24.11 H new ATOM 0 HA CYS A 76 26.365 -6.250 -10.175 1.00 52.10 H new ATOM 0 HB2 CYS A 76 27.685 -8.517 -8.916 1.00 61.40 H new ATOM 0 HB3 CYS A 76 25.995 -8.884 -9.201 1.00 61.40 H new ATOM 1188 N SER A 77 24.043 -6.517 -9.271 1.00 24.12 N ATOM 1189 CA SER A 77 22.703 -6.430 -8.703 1.00 3.24 C ATOM 1190 C SER A 77 21.898 -7.687 -9.016 1.00 34.03 C ATOM 1191 O SER A 77 22.120 -8.342 -10.034 1.00 64.42 O ATOM 1192 CB SER A 77 21.977 -5.197 -9.243 1.00 55.11 C ATOM 1193 OG SER A 77 22.889 -4.149 -9.522 1.00 54.21 O ATOM 0 H SER A 77 24.079 -6.408 -10.285 1.00 24.12 H new ATOM 0 HA SER A 77 22.798 -6.341 -7.621 1.00 3.24 H new ATOM 0 HB2 SER A 77 21.432 -5.460 -10.150 1.00 55.11 H new ATOM 0 HB3 SER A 77 21.240 -4.858 -8.515 1.00 55.11 H new ATOM 0 HG SER A 77 22.400 -3.373 -9.867 1.00 54.21 H new ATOM 1199 N ILE A 78 20.961 -8.017 -8.133 1.00 1.01 N ATOM 1200 CA ILE A 78 20.121 -9.194 -8.315 1.00 23.32 C ATOM 1201 C ILE A 78 18.643 -8.839 -8.197 1.00 1.22 C ATOM 1202 O ILE A 78 18.257 -8.005 -7.376 1.00 65.34 O ATOM 1203 CB ILE A 78 20.458 -10.290 -7.286 1.00 71.34 C ATOM 1204 CG1 ILE A 78 21.929 -10.694 -7.402 1.00 60.43 C ATOM 1205 CG2 ILE A 78 19.554 -11.498 -7.484 1.00 40.04 C ATOM 1206 CD1 ILE A 78 22.789 -10.177 -6.270 1.00 74.30 C ATOM 0 H ILE A 78 20.765 -7.486 -7.285 1.00 1.01 H new ATOM 0 HA ILE A 78 20.322 -9.573 -9.317 1.00 23.32 H new ATOM 0 HB ILE A 78 20.288 -9.893 -6.285 1.00 71.34 H new ATOM 0 HG12 ILE A 78 21.997 -11.781 -7.432 1.00 60.43 H new ATOM 0 HG13 ILE A 78 22.326 -10.323 -8.347 1.00 60.43 H new ATOM 0 HG21 ILE A 78 19.804 -12.264 -6.750 1.00 40.04 H new ATOM 0 HG22 ILE A 78 18.514 -11.199 -7.356 1.00 40.04 H new ATOM 0 HG23 ILE A 78 19.696 -11.898 -8.488 1.00 40.04 H new ATOM 0 HD11 ILE A 78 23.819 -10.502 -6.418 1.00 74.30 H new ATOM 0 HD12 ILE A 78 22.751 -9.088 -6.252 1.00 74.30 H new ATOM 0 HD13 ILE A 78 22.418 -10.568 -5.323 1.00 74.30 H new ATOM 1218 N HIS A 79 17.819 -9.478 -9.021 1.00 13.21 N ATOM 1219 CA HIS A 79 16.381 -9.231 -9.008 1.00 2.24 C ATOM 1220 C HIS A 79 15.620 -10.476 -8.564 1.00 21.35 C ATOM 1221 O HIS A 79 15.983 -11.598 -8.919 1.00 61.33 O ATOM 1222 CB HIS A 79 15.905 -8.795 -10.393 1.00 55.52 C ATOM 1223 CG HIS A 79 16.492 -7.494 -10.847 1.00 1.43 C ATOM 1224 ND1 HIS A 79 15.732 -6.460 -11.352 1.00 60.01 N ATOM 1225 CD2 HIS A 79 17.774 -7.061 -10.867 1.00 44.40 C ATOM 1226 CE1 HIS A 79 16.522 -5.448 -11.665 1.00 75.24 C ATOM 1227 NE2 HIS A 79 17.766 -5.787 -11.380 1.00 50.13 N ATOM 0 H HIS A 79 18.122 -10.170 -9.706 1.00 13.21 H new ATOM 0 HA HIS A 79 16.181 -8.431 -8.295 1.00 2.24 H new ATOM 0 HB2 HIS A 79 16.159 -9.570 -11.116 1.00 55.52 H new ATOM 0 HB3 HIS A 79 14.818 -8.710 -10.385 1.00 55.52 H new ATOM 0 HD2 HIS A 79 18.642 -7.614 -10.540 1.00 44.40 H new ATOM 0 HE1 HIS A 79 16.204 -4.504 -12.083 1.00 75.24 H new ATOM 0 HE2 HIS A 79 18.587 -5.198 -11.518 1.00 50.13 H new ATOM 1235 N LEU A 80 14.564 -10.272 -7.784 1.00 51.33 N ATOM 1236 CA LEU A 80 13.751 -11.378 -7.291 1.00 23.22 C ATOM 1237 C LEU A 80 12.274 -11.000 -7.264 1.00 40.45 C ATOM 1238 O LEU A 80 11.927 -9.821 -7.197 1.00 2.10 O ATOM 1239 CB LEU A 80 14.210 -11.788 -5.890 1.00 75.21 C ATOM 1240 CG LEU A 80 13.410 -12.908 -5.223 1.00 62.34 C ATOM 1241 CD1 LEU A 80 14.310 -13.747 -4.329 1.00 10.32 C ATOM 1242 CD2 LEU A 80 12.249 -12.333 -4.426 1.00 32.01 C ATOM 0 H LEU A 80 14.251 -9.350 -7.479 1.00 51.33 H new ATOM 0 HA LEU A 80 13.878 -12.221 -7.970 1.00 23.22 H new ATOM 0 HB2 LEU A 80 15.253 -12.098 -5.947 1.00 75.21 H new ATOM 0 HB3 LEU A 80 14.174 -10.909 -5.246 1.00 75.21 H new ATOM 0 HG LEU A 80 13.004 -13.553 -6.003 1.00 62.34 H new ATOM 0 HD11 LEU A 80 13.724 -14.539 -3.863 1.00 10.32 H new ATOM 0 HD12 LEU A 80 15.107 -14.189 -4.927 1.00 10.32 H new ATOM 0 HD13 LEU A 80 14.746 -13.115 -3.555 1.00 10.32 H new ATOM 0 HD21 LEU A 80 11.691 -13.145 -3.959 1.00 32.01 H new ATOM 0 HD22 LEU A 80 12.633 -11.665 -3.655 1.00 32.01 H new ATOM 0 HD23 LEU A 80 11.590 -11.777 -5.093 1.00 32.01 H new ATOM 1254 N GLU A 81 11.409 -12.008 -7.316 1.00 51.31 N ATOM 1255 CA GLU A 81 9.969 -11.779 -7.297 1.00 32.33 C ATOM 1256 C GLU A 81 9.294 -12.652 -6.242 1.00 51.22 C ATOM 1257 O GLU A 81 9.297 -13.879 -6.341 1.00 1.12 O ATOM 1258 CB GLU A 81 9.366 -12.066 -8.674 1.00 10.25 C ATOM 1259 CG GLU A 81 9.278 -10.840 -9.567 1.00 4.33 C ATOM 1260 CD GLU A 81 8.961 -11.189 -11.008 1.00 24.22 C ATOM 1261 OE1 GLU A 81 9.784 -11.880 -11.645 1.00 3.51 O ATOM 1262 OE2 GLU A 81 7.891 -10.773 -11.498 1.00 44.43 O ATOM 0 H GLU A 81 11.680 -12.990 -7.372 1.00 51.31 H new ATOM 0 HA GLU A 81 9.796 -10.733 -7.044 1.00 32.33 H new ATOM 0 HB2 GLU A 81 9.967 -12.826 -9.173 1.00 10.25 H new ATOM 0 HB3 GLU A 81 8.367 -12.483 -8.544 1.00 10.25 H new ATOM 0 HG2 GLU A 81 8.510 -10.169 -9.182 1.00 4.33 H new ATOM 0 HG3 GLU A 81 10.223 -10.298 -9.528 1.00 4.33 H new ATOM 1269 N VAL A 82 8.716 -12.009 -5.232 1.00 52.04 N ATOM 1270 CA VAL A 82 8.036 -12.725 -4.159 1.00 42.13 C ATOM 1271 C VAL A 82 6.556 -12.909 -4.473 1.00 13.31 C ATOM 1272 O VAL A 82 5.781 -11.952 -4.445 1.00 5.54 O ATOM 1273 CB VAL A 82 8.177 -11.987 -2.815 1.00 2.41 C ATOM 1274 CG1 VAL A 82 7.827 -12.911 -1.659 1.00 14.33 C ATOM 1275 CG2 VAL A 82 9.585 -11.432 -2.657 1.00 71.11 C ATOM 0 H VAL A 82 8.705 -10.994 -5.135 1.00 52.04 H new ATOM 0 HA VAL A 82 8.511 -13.703 -4.080 1.00 42.13 H new ATOM 0 HB VAL A 82 7.478 -11.151 -2.805 1.00 2.41 H new ATOM 0 HG11 VAL A 82 7.932 -12.372 -0.718 1.00 14.33 H new ATOM 0 HG12 VAL A 82 6.798 -13.255 -1.767 1.00 14.33 H new ATOM 0 HG13 VAL A 82 8.499 -13.769 -1.663 1.00 14.33 H new ATOM 0 HG21 VAL A 82 9.667 -10.914 -1.702 1.00 71.11 H new ATOM 0 HG22 VAL A 82 10.304 -12.250 -2.688 1.00 71.11 H new ATOM 0 HG23 VAL A 82 9.794 -10.734 -3.468 1.00 71.11 H new ATOM 1285 N ILE A 83 6.169 -14.144 -4.771 1.00 72.33 N ATOM 1286 CA ILE A 83 4.780 -14.454 -5.089 1.00 2.24 C ATOM 1287 C ILE A 83 3.948 -14.612 -3.820 1.00 45.42 C ATOM 1288 O ILE A 83 4.372 -15.261 -2.864 1.00 72.41 O ATOM 1289 CB ILE A 83 4.668 -15.741 -5.926 1.00 74.24 C ATOM 1290 CG1 ILE A 83 3.198 -16.088 -6.174 1.00 0.32 C ATOM 1291 CG2 ILE A 83 5.378 -16.891 -5.228 1.00 64.15 C ATOM 1292 CD1 ILE A 83 2.631 -17.066 -5.169 1.00 74.14 C ATOM 0 H ILE A 83 6.797 -14.947 -4.799 1.00 72.33 H new ATOM 0 HA ILE A 83 4.395 -13.617 -5.672 1.00 2.24 H new ATOM 0 HB ILE A 83 5.150 -15.573 -6.889 1.00 74.24 H new ATOM 0 HG12 ILE A 83 2.608 -15.172 -6.150 1.00 0.32 H new ATOM 0 HG13 ILE A 83 3.096 -16.507 -7.175 1.00 0.32 H new ATOM 0 HG21 ILE A 83 5.290 -17.794 -5.832 1.00 64.15 H new ATOM 0 HG22 ILE A 83 6.431 -16.643 -5.098 1.00 64.15 H new ATOM 0 HG23 ILE A 83 4.922 -17.062 -4.253 1.00 64.15 H new ATOM 0 HD11 ILE A 83 1.586 -17.266 -5.406 1.00 74.14 H new ATOM 0 HD12 ILE A 83 3.197 -17.997 -5.208 1.00 74.14 H new ATOM 0 HD13 ILE A 83 2.701 -16.641 -4.168 1.00 74.14 H new ATOM 1304 N VAL A 84 2.761 -14.014 -3.819 1.00 61.15 N ATOM 1305 CA VAL A 84 1.867 -14.091 -2.670 1.00 5.50 C ATOM 1306 C VAL A 84 0.408 -14.125 -3.110 1.00 21.13 C ATOM 1307 O VAL A 84 0.053 -13.590 -4.160 1.00 72.32 O ATOM 1308 CB VAL A 84 2.077 -12.899 -1.716 1.00 72.42 C ATOM 1309 CG1 VAL A 84 3.435 -12.991 -1.038 1.00 0.34 C ATOM 1310 CG2 VAL A 84 1.934 -11.584 -2.468 1.00 23.34 C ATOM 0 H VAL A 84 2.396 -13.471 -4.601 1.00 61.15 H new ATOM 0 HA VAL A 84 2.106 -15.015 -2.144 1.00 5.50 H new ATOM 0 HB VAL A 84 1.309 -12.934 -0.943 1.00 72.42 H new ATOM 0 HG11 VAL A 84 3.566 -12.141 -0.368 1.00 0.34 H new ATOM 0 HG12 VAL A 84 3.494 -13.917 -0.465 1.00 0.34 H new ATOM 0 HG13 VAL A 84 4.220 -12.981 -1.794 1.00 0.34 H new ATOM 0 HG21 VAL A 84 2.085 -10.753 -1.779 1.00 23.34 H new ATOM 0 HG22 VAL A 84 2.678 -11.537 -3.263 1.00 23.34 H new ATOM 0 HG23 VAL A 84 0.936 -11.519 -2.901 1.00 23.34 H new ATOM 1320 N ASP A 85 -0.433 -14.757 -2.299 1.00 73.10 N ATOM 1321 CA ASP A 85 -1.856 -14.860 -2.603 1.00 62.41 C ATOM 1322 C ASP A 85 -2.691 -14.146 -1.545 1.00 21.20 C ATOM 1323 O ASP A 85 -3.827 -14.534 -1.271 1.00 2.31 O ATOM 1324 CB ASP A 85 -2.274 -16.329 -2.695 1.00 52.44 C ATOM 1325 CG ASP A 85 -3.177 -16.600 -3.883 1.00 2.11 C ATOM 1326 OD1 ASP A 85 -2.649 -16.779 -5.001 1.00 13.21 O ATOM 1327 OD2 ASP A 85 -4.411 -16.634 -3.694 1.00 65.12 O ATOM 0 H ASP A 85 -0.154 -15.206 -1.426 1.00 73.10 H new ATOM 0 HA ASP A 85 -2.033 -14.379 -3.565 1.00 62.41 H new ATOM 0 HB2 ASP A 85 -1.384 -16.953 -2.769 1.00 52.44 H new ATOM 0 HB3 ASP A 85 -2.789 -16.616 -1.778 1.00 52.44 H new ATOM 1332 N ARG A 86 -2.120 -13.102 -0.953 1.00 62.31 N ATOM 1333 CA ARG A 86 -2.811 -12.336 0.077 1.00 44.43 C ATOM 1334 C ARG A 86 -1.886 -11.285 0.685 1.00 62.04 C ATOM 1335 O ARG A 86 -1.247 -11.506 1.714 1.00 51.52 O ATOM 1336 CB ARG A 86 -3.332 -13.267 1.173 1.00 62.14 C ATOM 1337 CG ARG A 86 -4.845 -13.408 1.183 1.00 71.40 C ATOM 1338 CD ARG A 86 -5.447 -12.863 2.469 1.00 42.25 C ATOM 1339 NE ARG A 86 -6.727 -13.491 2.783 1.00 13.42 N ATOM 1340 CZ ARG A 86 -7.864 -13.190 2.166 1.00 74.22 C ATOM 1341 NH1 ARG A 86 -7.880 -12.276 1.205 1.00 21.25 N ATOM 1342 NH2 ARG A 86 -8.989 -13.805 2.508 1.00 33.23 N ATOM 0 H ARG A 86 -1.181 -12.767 -1.169 1.00 62.31 H new ATOM 0 HA ARG A 86 -3.655 -11.827 -0.389 1.00 44.43 H new ATOM 0 HB2 ARG A 86 -2.884 -14.252 1.044 1.00 62.14 H new ATOM 0 HB3 ARG A 86 -3.004 -12.892 2.143 1.00 62.14 H new ATOM 0 HG2 ARG A 86 -5.267 -12.877 0.329 1.00 71.40 H new ATOM 0 HG3 ARG A 86 -5.114 -14.458 1.070 1.00 71.40 H new ATOM 0 HD2 ARG A 86 -4.752 -13.026 3.292 1.00 42.25 H new ATOM 0 HD3 ARG A 86 -5.585 -11.786 2.377 1.00 42.25 H new ATOM 0 HE ARG A 86 -6.749 -14.200 3.516 1.00 13.42 H new ATOM 0 HH11 ARG A 86 -7.017 -11.802 0.938 1.00 21.25 H new ATOM 0 HH12 ARG A 86 -8.755 -12.047 0.733 1.00 21.25 H new ATOM 0 HH21 ARG A 86 -8.981 -14.510 3.245 1.00 33.23 H new ATOM 0 HH22 ARG A 86 -9.862 -13.573 2.034 1.00 33.23 H new ATOM 1356 N PRO A 87 -1.811 -10.115 0.034 1.00 41.42 N ATOM 1357 CA PRO A 87 -2.566 -9.841 -1.192 1.00 51.15 C ATOM 1358 C PRO A 87 -2.053 -10.647 -2.381 1.00 51.42 C ATOM 1359 O PRO A 87 -0.886 -11.039 -2.421 1.00 50.33 O ATOM 1360 CB PRO A 87 -2.339 -8.345 -1.423 1.00 2.35 C ATOM 1361 CG PRO A 87 -1.046 -8.049 -0.744 1.00 31.13 C ATOM 1362 CD PRO A 87 -0.983 -8.968 0.445 1.00 63.44 C ATOM 0 HA PRO A 87 -3.616 -10.116 -1.093 1.00 51.15 H new ATOM 0 HB2 PRO A 87 -2.290 -8.112 -2.487 1.00 2.35 H new ATOM 0 HB3 PRO A 87 -3.151 -7.752 -1.003 1.00 2.35 H new ATOM 0 HG2 PRO A 87 -0.204 -8.221 -1.415 1.00 31.13 H new ATOM 0 HG3 PRO A 87 -0.998 -7.005 -0.434 1.00 31.13 H new ATOM 0 HD2 PRO A 87 0.041 -9.270 0.666 1.00 63.44 H new ATOM 0 HD3 PRO A 87 -1.375 -8.491 1.343 1.00 63.44 H new ATOM 1370 N LEU A 88 -2.931 -10.890 -3.348 1.00 31.22 N ATOM 1371 CA LEU A 88 -2.567 -11.649 -4.539 1.00 65.30 C ATOM 1372 C LEU A 88 -1.757 -10.791 -5.505 1.00 44.32 C ATOM 1373 O LEU A 88 -2.315 -9.998 -6.263 1.00 73.20 O ATOM 1374 CB LEU A 88 -3.822 -12.176 -5.236 1.00 51.13 C ATOM 1375 CG LEU A 88 -3.677 -13.517 -5.957 1.00 14.14 C ATOM 1376 CD1 LEU A 88 -4.981 -14.297 -5.898 1.00 73.55 C ATOM 1377 CD2 LEU A 88 -3.246 -13.303 -7.400 1.00 64.11 C ATOM 0 H LEU A 88 -3.900 -10.572 -3.330 1.00 31.22 H new ATOM 0 HA LEU A 88 -1.951 -12.493 -4.228 1.00 65.30 H new ATOM 0 HB2 LEU A 88 -4.614 -12.270 -4.493 1.00 51.13 H new ATOM 0 HB3 LEU A 88 -4.151 -11.431 -5.960 1.00 51.13 H new ATOM 0 HG LEU A 88 -2.906 -14.099 -5.452 1.00 14.14 H new ATOM 0 HD11 LEU A 88 -4.860 -15.248 -6.416 1.00 73.55 H new ATOM 0 HD12 LEU A 88 -5.248 -14.482 -4.857 1.00 73.55 H new ATOM 0 HD13 LEU A 88 -5.772 -13.721 -6.378 1.00 73.55 H new ATOM 0 HD21 LEU A 88 -3.148 -14.268 -7.897 1.00 64.11 H new ATOM 0 HD22 LEU A 88 -3.994 -12.702 -7.918 1.00 64.11 H new ATOM 0 HD23 LEU A 88 -2.287 -12.785 -7.420 1.00 64.11 H new ATOM 1389 N GLN A 89 -0.438 -10.956 -5.473 1.00 73.23 N ATOM 1390 CA GLN A 89 0.448 -10.197 -6.348 1.00 32.03 C ATOM 1391 C GLN A 89 1.908 -10.544 -6.077 1.00 1.34 C ATOM 1392 O GLN A 89 2.207 -11.487 -5.344 1.00 4.30 O ATOM 1393 CB GLN A 89 0.224 -8.696 -6.157 1.00 12.01 C ATOM 1394 CG GLN A 89 -0.263 -7.989 -7.412 1.00 24.12 C ATOM 1395 CD GLN A 89 0.623 -8.257 -8.613 1.00 34.31 C ATOM 1396 OE1 GLN A 89 1.789 -7.863 -8.639 1.00 71.34 O ATOM 1397 NE2 GLN A 89 0.072 -8.931 -9.616 1.00 32.11 N ATOM 0 H GLN A 89 0.040 -11.608 -4.851 1.00 73.23 H new ATOM 0 HA GLN A 89 0.216 -10.464 -7.379 1.00 32.03 H new ATOM 0 HB2 GLN A 89 -0.503 -8.544 -5.359 1.00 12.01 H new ATOM 0 HB3 GLN A 89 1.157 -8.237 -5.830 1.00 12.01 H new ATOM 0 HG2 GLN A 89 -1.280 -8.313 -7.636 1.00 24.12 H new ATOM 0 HG3 GLN A 89 -0.304 -6.916 -7.227 1.00 24.12 H new ATOM 0 HE21 GLN A 89 -0.898 -9.238 -9.552 1.00 32.11 H new ATOM 0 HE22 GLN A 89 0.619 -9.141 -10.451 1.00 32.11 H new ATOM 1406 N VAL A 90 2.814 -9.775 -6.673 1.00 22.21 N ATOM 1407 CA VAL A 90 4.244 -10.000 -6.495 1.00 73.52 C ATOM 1408 C VAL A 90 4.913 -8.796 -5.843 1.00 51.22 C ATOM 1409 O VAL A 90 4.431 -7.668 -5.955 1.00 62.32 O ATOM 1410 CB VAL A 90 4.937 -10.294 -7.839 1.00 31.21 C ATOM 1411 CG1 VAL A 90 6.355 -10.795 -7.610 1.00 73.21 C ATOM 1412 CG2 VAL A 90 4.130 -11.301 -8.645 1.00 44.01 C ATOM 0 H VAL A 90 2.583 -8.991 -7.283 1.00 22.21 H new ATOM 0 HA VAL A 90 4.349 -10.867 -5.843 1.00 73.52 H new ATOM 0 HB VAL A 90 4.993 -9.367 -8.410 1.00 31.21 H new ATOM 0 HG11 VAL A 90 6.829 -10.997 -8.570 1.00 73.21 H new ATOM 0 HG12 VAL A 90 6.927 -10.036 -7.076 1.00 73.21 H new ATOM 0 HG13 VAL A 90 6.326 -11.711 -7.019 1.00 73.21 H new ATOM 0 HG21 VAL A 90 4.634 -11.497 -9.591 1.00 44.01 H new ATOM 0 HG22 VAL A 90 4.041 -12.230 -8.082 1.00 44.01 H new ATOM 0 HG23 VAL A 90 3.136 -10.898 -8.840 1.00 44.01 H new ATOM 1422 N PHE A 91 6.027 -9.042 -5.162 1.00 10.33 N ATOM 1423 CA PHE A 91 6.763 -7.977 -4.491 1.00 4.14 C ATOM 1424 C PHE A 91 8.151 -7.807 -5.101 1.00 64.13 C ATOM 1425 O PHE A 91 8.898 -8.775 -5.254 1.00 55.11 O ATOM 1426 CB PHE A 91 6.885 -8.276 -2.995 1.00 61.30 C ATOM 1427 CG PHE A 91 5.561 -8.476 -2.314 1.00 3.40 C ATOM 1428 CD1 PHE A 91 4.511 -7.601 -2.542 1.00 42.10 C ATOM 1429 CD2 PHE A 91 5.367 -9.537 -1.445 1.00 62.52 C ATOM 1430 CE1 PHE A 91 3.292 -7.782 -1.917 1.00 54.32 C ATOM 1431 CE2 PHE A 91 4.150 -9.723 -0.818 1.00 32.50 C ATOM 1432 CZ PHE A 91 3.111 -8.844 -1.053 1.00 41.12 C ATOM 0 H PHE A 91 6.440 -9.969 -5.060 1.00 10.33 H new ATOM 0 HA PHE A 91 6.210 -7.048 -4.625 1.00 4.14 H new ATOM 0 HB2 PHE A 91 7.493 -9.171 -2.860 1.00 61.30 H new ATOM 0 HB3 PHE A 91 7.414 -7.455 -2.510 1.00 61.30 H new ATOM 0 HD1 PHE A 91 4.647 -6.768 -3.216 1.00 42.10 H new ATOM 0 HD2 PHE A 91 6.176 -10.227 -1.255 1.00 62.52 H new ATOM 0 HE1 PHE A 91 2.481 -7.093 -2.104 1.00 54.32 H new ATOM 0 HE2 PHE A 91 4.011 -10.556 -0.144 1.00 32.50 H new ATOM 0 HZ PHE A 91 2.160 -8.987 -0.562 1.00 41.12 H new ATOM 1442 N HIS A 92 8.491 -6.570 -5.449 1.00 50.05 N ATOM 1443 CA HIS A 92 9.789 -6.272 -6.044 1.00 22.11 C ATOM 1444 C HIS A 92 10.904 -6.414 -5.012 1.00 44.33 C ATOM 1445 O HIS A 92 10.886 -5.759 -3.970 1.00 25.33 O ATOM 1446 CB HIS A 92 9.795 -4.859 -6.627 1.00 54.30 C ATOM 1447 CG HIS A 92 10.622 -4.726 -7.869 1.00 34.23 C ATOM 1448 ND1 HIS A 92 11.981 -4.957 -7.896 1.00 12.12 N ATOM 1449 CD2 HIS A 92 10.274 -4.386 -9.132 1.00 31.21 C ATOM 1450 CE1 HIS A 92 12.434 -4.763 -9.121 1.00 53.35 C ATOM 1451 NE2 HIS A 92 11.418 -4.416 -9.891 1.00 72.01 N ATOM 0 H HIS A 92 7.886 -5.758 -5.329 1.00 50.05 H new ATOM 0 HA HIS A 92 9.966 -6.988 -6.847 1.00 22.11 H new ATOM 0 HB2 HIS A 92 8.770 -4.563 -6.850 1.00 54.30 H new ATOM 0 HB3 HIS A 92 10.171 -4.166 -5.874 1.00 54.30 H new ATOM 0 HD2 HIS A 92 9.282 -4.137 -9.478 1.00 31.21 H new ATOM 0 HE1 HIS A 92 13.460 -4.870 -9.439 1.00 53.35 H new ATOM 0 HE2 HIS A 92 11.474 -4.205 -10.887 1.00 72.01 H new ATOM 1459 N VAL A 93 11.874 -7.273 -5.310 1.00 32.30 N ATOM 1460 CA VAL A 93 12.997 -7.501 -4.409 1.00 2.31 C ATOM 1461 C VAL A 93 14.326 -7.396 -5.150 1.00 34.24 C ATOM 1462 O VAL A 93 14.529 -8.048 -6.174 1.00 11.55 O ATOM 1463 CB VAL A 93 12.905 -8.882 -3.735 1.00 22.53 C ATOM 1464 CG1 VAL A 93 14.149 -9.155 -2.903 1.00 43.11 C ATOM 1465 CG2 VAL A 93 11.651 -8.975 -2.879 1.00 0.32 C ATOM 0 H VAL A 93 11.904 -7.822 -6.169 1.00 32.30 H new ATOM 0 HA VAL A 93 12.950 -6.728 -3.642 1.00 2.31 H new ATOM 0 HB VAL A 93 12.843 -9.643 -4.513 1.00 22.53 H new ATOM 0 HG11 VAL A 93 14.065 -10.136 -2.434 1.00 43.11 H new ATOM 0 HG12 VAL A 93 15.029 -9.134 -3.546 1.00 43.11 H new ATOM 0 HG13 VAL A 93 14.245 -8.391 -2.131 1.00 43.11 H new ATOM 0 HG21 VAL A 93 11.602 -9.958 -2.410 1.00 0.32 H new ATOM 0 HG22 VAL A 93 11.680 -8.206 -2.107 1.00 0.32 H new ATOM 0 HG23 VAL A 93 10.771 -8.828 -3.505 1.00 0.32 H new ATOM 1475 N GLU A 94 15.227 -6.572 -4.624 1.00 31.41 N ATOM 1476 CA GLU A 94 16.537 -6.383 -5.236 1.00 54.24 C ATOM 1477 C GLU A 94 17.645 -6.478 -4.191 1.00 53.45 C ATOM 1478 O GLU A 94 17.731 -5.649 -3.285 1.00 62.10 O ATOM 1479 CB GLU A 94 16.602 -5.028 -5.944 1.00 1.43 C ATOM 1480 CG GLU A 94 17.890 -4.807 -6.719 1.00 61.42 C ATOM 1481 CD GLU A 94 18.150 -3.343 -7.015 1.00 72.11 C ATOM 1482 OE1 GLU A 94 17.168 -2.586 -7.166 1.00 1.35 O ATOM 1483 OE2 GLU A 94 19.334 -2.954 -7.097 1.00 34.54 O ATOM 0 H GLU A 94 15.074 -6.025 -3.777 1.00 31.41 H new ATOM 0 HA GLU A 94 16.685 -7.176 -5.969 1.00 54.24 H new ATOM 0 HB2 GLU A 94 15.757 -4.944 -6.628 1.00 1.43 H new ATOM 0 HB3 GLU A 94 16.493 -4.235 -5.204 1.00 1.43 H new ATOM 0 HG2 GLU A 94 18.726 -5.213 -6.149 1.00 61.42 H new ATOM 0 HG3 GLU A 94 17.845 -5.361 -7.657 1.00 61.42 H new ATOM 1490 N VAL A 95 18.491 -7.494 -4.325 1.00 35.31 N ATOM 1491 CA VAL A 95 19.594 -7.698 -3.394 1.00 33.32 C ATOM 1492 C VAL A 95 20.937 -7.456 -4.072 1.00 4.40 C ATOM 1493 O VAL A 95 21.234 -8.044 -5.111 1.00 53.44 O ATOM 1494 CB VAL A 95 19.577 -9.122 -2.807 1.00 60.31 C ATOM 1495 CG1 VAL A 95 18.343 -9.329 -1.942 1.00 70.32 C ATOM 1496 CG2 VAL A 95 19.638 -10.157 -3.920 1.00 73.42 C ATOM 0 H VAL A 95 18.434 -8.189 -5.070 1.00 35.31 H new ATOM 0 HA VAL A 95 19.463 -6.978 -2.586 1.00 33.32 H new ATOM 0 HB VAL A 95 20.457 -9.247 -2.177 1.00 60.31 H new ATOM 0 HG11 VAL A 95 18.349 -10.341 -1.536 1.00 70.32 H new ATOM 0 HG12 VAL A 95 18.348 -8.610 -1.123 1.00 70.32 H new ATOM 0 HG13 VAL A 95 17.447 -9.185 -2.546 1.00 70.32 H new ATOM 0 HG21 VAL A 95 19.625 -11.157 -3.488 1.00 73.42 H new ATOM 0 HG22 VAL A 95 18.778 -10.035 -4.578 1.00 73.42 H new ATOM 0 HG23 VAL A 95 20.555 -10.021 -4.493 1.00 73.42 H new ATOM 1506 N GLU A 96 21.747 -6.586 -3.476 1.00 14.34 N ATOM 1507 CA GLU A 96 23.059 -6.265 -4.023 1.00 65.23 C ATOM 1508 C GLU A 96 24.150 -7.081 -3.335 1.00 60.12 C ATOM 1509 O GLU A 96 23.993 -7.509 -2.192 1.00 13.14 O ATOM 1510 CB GLU A 96 23.350 -4.771 -3.868 1.00 65.02 C ATOM 1511 CG GLU A 96 23.691 -4.362 -2.445 1.00 13.20 C ATOM 1512 CD GLU A 96 23.661 -2.859 -2.247 1.00 45.34 C ATOM 1513 OE1 GLU A 96 22.560 -2.308 -2.039 1.00 62.34 O ATOM 1514 OE2 GLU A 96 24.741 -2.233 -2.301 1.00 1.14 O ATOM 0 H GLU A 96 21.517 -6.091 -2.614 1.00 14.34 H new ATOM 0 HA GLU A 96 23.054 -6.518 -5.083 1.00 65.23 H new ATOM 0 HB2 GLU A 96 24.178 -4.501 -4.523 1.00 65.02 H new ATOM 0 HB3 GLU A 96 22.481 -4.204 -4.202 1.00 65.02 H new ATOM 0 HG2 GLU A 96 22.986 -4.829 -1.758 1.00 13.20 H new ATOM 0 HG3 GLU A 96 24.682 -4.739 -2.190 1.00 13.20 H new ATOM 1521 N VAL A 97 25.256 -7.293 -4.041 1.00 24.42 N ATOM 1522 CA VAL A 97 26.374 -8.057 -3.499 1.00 71.21 C ATOM 1523 C VAL A 97 27.483 -7.134 -3.008 1.00 25.22 C ATOM 1524 O VAL A 97 28.128 -6.446 -3.799 1.00 64.22 O ATOM 1525 CB VAL A 97 26.953 -9.025 -4.548 1.00 21.11 C ATOM 1526 CG1 VAL A 97 26.069 -10.255 -4.685 1.00 23.41 C ATOM 1527 CG2 VAL A 97 27.116 -8.323 -5.888 1.00 34.23 C ATOM 0 H VAL A 97 25.402 -6.947 -4.989 1.00 24.42 H new ATOM 0 HA VAL A 97 25.986 -8.633 -2.659 1.00 71.21 H new ATOM 0 HB VAL A 97 27.938 -9.351 -4.212 1.00 21.11 H new ATOM 0 HG11 VAL A 97 26.494 -10.927 -5.430 1.00 23.41 H new ATOM 0 HG12 VAL A 97 26.009 -10.769 -3.725 1.00 23.41 H new ATOM 0 HG13 VAL A 97 25.070 -9.952 -4.997 1.00 23.41 H new ATOM 0 HG21 VAL A 97 27.526 -9.022 -6.617 1.00 34.23 H new ATOM 0 HG22 VAL A 97 26.145 -7.967 -6.233 1.00 34.23 H new ATOM 0 HG23 VAL A 97 27.794 -7.477 -5.775 1.00 34.23 H new ATOM 1537 N ARG A 98 27.701 -7.125 -1.697 1.00 13.03 N ATOM 1538 CA ARG A 98 28.732 -6.286 -1.099 1.00 43.21 C ATOM 1539 C ARG A 98 30.082 -6.997 -1.105 1.00 4.22 C ATOM 1540 O ARG A 98 30.279 -7.983 -0.395 1.00 75.50 O ATOM 1541 CB ARG A 98 28.348 -5.910 0.333 1.00 12.00 C ATOM 1542 CG ARG A 98 28.622 -4.455 0.675 1.00 10.34 C ATOM 1543 CD ARG A 98 30.113 -4.183 0.798 1.00 41.32 C ATOM 1544 NE ARG A 98 30.440 -2.788 0.512 1.00 23.35 N ATOM 1545 CZ ARG A 98 31.683 -2.332 0.407 1.00 3.21 C ATOM 1546 NH1 ARG A 98 32.711 -3.155 0.562 1.00 32.24 N ATOM 1547 NH2 ARG A 98 31.900 -1.049 0.145 1.00 25.25 N ATOM 0 H ARG A 98 27.177 -7.690 -1.029 1.00 13.03 H new ATOM 0 HA ARG A 98 28.816 -5.377 -1.695 1.00 43.21 H new ATOM 0 HB2 ARG A 98 27.288 -6.116 0.482 1.00 12.00 H new ATOM 0 HB3 ARG A 98 28.897 -6.547 1.027 1.00 12.00 H new ATOM 0 HG2 ARG A 98 28.196 -3.813 -0.096 1.00 10.34 H new ATOM 0 HG3 ARG A 98 28.126 -4.201 1.612 1.00 10.34 H new ATOM 0 HD2 ARG A 98 30.446 -4.434 1.805 1.00 41.32 H new ATOM 0 HD3 ARG A 98 30.658 -4.831 0.112 1.00 41.32 H new ATOM 0 HE ARG A 98 29.672 -2.129 0.386 1.00 23.35 H new ATOM 0 HH11 ARG A 98 32.549 -4.142 0.763 1.00 32.24 H new ATOM 0 HH12 ARG A 98 33.664 -2.801 0.481 1.00 32.24 H new ATOM 0 HH21 ARG A 98 31.112 -0.413 0.024 1.00 25.25 H new ATOM 0 HH22 ARG A 98 32.855 -0.699 0.064 1.00 25.25 H new ATOM 1561 N ASP A 99 31.009 -6.489 -1.910 1.00 70.31 N ATOM 1562 CA ASP A 99 32.341 -7.075 -2.008 1.00 71.11 C ATOM 1563 C ASP A 99 33.206 -6.296 -2.994 1.00 1.14 C ATOM 1564 O ASP A 99 32.831 -5.212 -3.441 1.00 41.23 O ATOM 1565 CB ASP A 99 32.247 -8.539 -2.440 1.00 32.42 C ATOM 1566 CG ASP A 99 33.158 -9.441 -1.631 1.00 30.25 C ATOM 1567 OD1 ASP A 99 33.041 -9.442 -0.387 1.00 35.10 O ATOM 1568 OD2 ASP A 99 33.988 -10.147 -2.241 1.00 11.23 O ATOM 0 H ASP A 99 30.863 -5.673 -2.504 1.00 70.31 H new ATOM 0 HA ASP A 99 32.807 -7.024 -1.024 1.00 71.11 H new ATOM 0 HB2 ASP A 99 31.217 -8.880 -2.336 1.00 32.42 H new ATOM 0 HB3 ASP A 99 32.504 -8.620 -3.496 1.00 32.42 H new ATOM 1573 N ILE A 100 34.365 -6.855 -3.326 1.00 52.22 N ATOM 1574 CA ILE A 100 35.283 -6.212 -4.258 1.00 74.14 C ATOM 1575 C ILE A 100 35.854 -7.220 -5.250 1.00 52.22 C ATOM 1576 O ILE A 100 35.901 -8.418 -4.975 1.00 44.12 O ATOM 1577 CB ILE A 100 36.444 -5.522 -3.519 1.00 51.41 C ATOM 1578 CG1 ILE A 100 35.918 -4.747 -2.309 1.00 22.33 C ATOM 1579 CG2 ILE A 100 37.195 -4.594 -4.462 1.00 63.14 C ATOM 1580 CD1 ILE A 100 35.994 -5.526 -1.014 1.00 51.10 C ATOM 0 H ILE A 100 34.690 -7.751 -2.964 1.00 52.22 H new ATOM 0 HA ILE A 100 34.709 -5.459 -4.798 1.00 74.14 H new ATOM 0 HB ILE A 100 37.135 -6.287 -3.165 1.00 51.41 H new ATOM 0 HG12 ILE A 100 36.488 -3.824 -2.203 1.00 22.33 H new ATOM 0 HG13 ILE A 100 34.882 -4.462 -2.492 1.00 22.33 H new ATOM 0 HG21 ILE A 100 38.013 -4.114 -3.925 1.00 63.14 H new ATOM 0 HG22 ILE A 100 37.597 -5.170 -5.296 1.00 63.14 H new ATOM 0 HG23 ILE A 100 36.514 -3.833 -4.842 1.00 63.14 H new ATOM 0 HD11 ILE A 100 35.605 -4.916 -0.199 1.00 51.10 H new ATOM 0 HD12 ILE A 100 35.401 -6.436 -1.101 1.00 51.10 H new ATOM 0 HD13 ILE A 100 37.032 -5.788 -0.807 1.00 51.10 H new