USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=9 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 Single : A 3 SER OG : rot 26:sc= 0.679 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 7 TYR OH : rot 60:sc= -1.99 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= -0.0669 X(o=-0.067,f=-0.046) USER MOD Single : A 17 THR OG1 : rot 71:sc= 1.27 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 125:sc= 1.56 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.58 K(o=-1.6,f=-11!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 66:sc= 0.882 USER MOD Single : A 73 SER OG : rot 26:sc= 0.689 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=-0.5) USER MOD Single : A 89 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.34) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 22 N SER A 3 5.953 -1.365 -3.822 1.00 45.00 N ATOM 23 CA SER A 3 6.499 -2.684 -3.524 1.00 73.21 C ATOM 24 C SER A 3 7.991 -2.739 -3.837 1.00 51.32 C ATOM 25 O SER A 3 8.531 -3.799 -4.152 1.00 52.34 O ATOM 26 CB SER A 3 5.759 -3.758 -4.324 1.00 54.24 C ATOM 27 OG SER A 3 4.446 -3.336 -4.652 1.00 42.51 O ATOM 0 HA SER A 3 6.362 -2.874 -2.459 1.00 73.21 H new ATOM 0 HB2 SER A 3 6.311 -3.981 -5.237 1.00 54.24 H new ATOM 0 HB3 SER A 3 5.714 -4.681 -3.745 1.00 54.24 H new ATOM 0 HG SER A 3 4.415 -2.357 -4.683 1.00 42.51 H new ATOM 33 N GLN A 4 8.650 -1.588 -3.748 1.00 23.24 N ATOM 34 CA GLN A 4 10.080 -1.504 -4.022 1.00 31.21 C ATOM 35 C GLN A 4 10.893 -1.772 -2.760 1.00 10.14 C ATOM 36 O GLN A 4 11.019 -0.904 -1.895 1.00 72.02 O ATOM 37 CB GLN A 4 10.432 -0.127 -4.587 1.00 61.23 C ATOM 38 CG GLN A 4 11.332 -0.184 -5.811 1.00 22.10 C ATOM 39 CD GLN A 4 10.807 0.652 -6.961 1.00 74.44 C ATOM 40 OE1 GLN A 4 10.348 0.119 -7.972 1.00 74.41 O ATOM 41 NE2 GLN A 4 10.871 1.970 -6.814 1.00 33.33 N ATOM 0 H GLN A 4 8.217 -0.702 -3.489 1.00 23.24 H new ATOM 0 HA GLN A 4 10.328 -2.266 -4.760 1.00 31.21 H new ATOM 0 HB2 GLN A 4 9.512 0.396 -4.847 1.00 61.23 H new ATOM 0 HB3 GLN A 4 10.924 0.460 -3.811 1.00 61.23 H new ATOM 0 HG2 GLN A 4 12.329 0.163 -5.540 1.00 22.10 H new ATOM 0 HG3 GLN A 4 11.432 -1.220 -6.136 1.00 22.10 H new ATOM 0 HE21 GLN A 4 11.259 2.370 -5.960 1.00 33.33 H new ATOM 0 HE22 GLN A 4 10.532 2.583 -7.556 1.00 33.33 H new ATOM 50 N ILE A 5 11.442 -2.978 -2.660 1.00 42.33 N ATOM 51 CA ILE A 5 12.244 -3.359 -1.504 1.00 14.41 C ATOM 52 C ILE A 5 13.574 -3.967 -1.934 1.00 21.35 C ATOM 53 O ILE A 5 13.650 -4.673 -2.940 1.00 22.23 O ATOM 54 CB ILE A 5 11.497 -4.365 -0.608 1.00 51.14 C ATOM 55 CG1 ILE A 5 10.030 -3.957 -0.459 1.00 11.13 C ATOM 56 CG2 ILE A 5 12.167 -4.461 0.754 1.00 44.41 C ATOM 57 CD1 ILE A 5 9.843 -2.586 0.153 1.00 23.34 C ATOM 0 H ILE A 5 11.346 -3.708 -3.366 1.00 42.33 H new ATOM 0 HA ILE A 5 12.431 -2.448 -0.935 1.00 14.41 H new ATOM 0 HB ILE A 5 11.535 -5.347 -1.079 1.00 51.14 H new ATOM 0 HG12 ILE A 5 9.555 -3.976 -1.440 1.00 11.13 H new ATOM 0 HG13 ILE A 5 9.517 -4.695 0.158 1.00 11.13 H new ATOM 0 HG21 ILE A 5 11.627 -5.176 1.375 1.00 44.41 H new ATOM 0 HG22 ILE A 5 13.198 -4.794 0.630 1.00 44.41 H new ATOM 0 HG23 ILE A 5 12.157 -3.483 1.234 1.00 44.41 H new ATOM 0 HD11 ILE A 5 8.779 -2.363 0.228 1.00 23.34 H new ATOM 0 HD12 ILE A 5 10.289 -2.568 1.148 1.00 23.34 H new ATOM 0 HD13 ILE A 5 10.327 -1.838 -0.475 1.00 23.34 H new ATOM 69 N HIS A 6 14.621 -3.691 -1.163 1.00 45.41 N ATOM 70 CA HIS A 6 15.950 -4.213 -1.462 1.00 40.15 C ATOM 71 C HIS A 6 16.659 -4.657 -0.187 1.00 23.32 C ATOM 72 O HIS A 6 16.426 -4.106 0.889 1.00 1.21 O ATOM 73 CB HIS A 6 16.787 -3.155 -2.183 1.00 75.20 C ATOM 74 CG HIS A 6 16.811 -1.832 -1.483 1.00 12.53 C ATOM 75 ND1 HIS A 6 17.734 -1.512 -0.510 1.00 0.33 N ATOM 76 CD2 HIS A 6 16.019 -0.742 -1.620 1.00 71.54 C ATOM 77 CE1 HIS A 6 17.508 -0.284 -0.078 1.00 12.21 C ATOM 78 NE2 HIS A 6 16.473 0.205 -0.736 1.00 55.33 N ATOM 0 H HIS A 6 14.575 -3.109 -0.327 1.00 45.41 H new ATOM 0 HA HIS A 6 15.834 -5.080 -2.113 1.00 40.15 H new ATOM 0 HB2 HIS A 6 17.809 -3.520 -2.287 1.00 75.20 H new ATOM 0 HB3 HIS A 6 16.394 -3.017 -3.190 1.00 75.20 H new ATOM 0 HD2 HIS A 6 15.185 -0.637 -2.299 1.00 71.54 H new ATOM 0 HE1 HIS A 6 18.074 0.232 0.684 1.00 12.21 H new ATOM 0 HE2 HIS A 6 16.075 1.136 -0.608 1.00 55.33 H new ATOM 86 N TYR A 7 17.525 -5.657 -0.314 1.00 55.05 N ATOM 87 CA TYR A 7 18.265 -6.177 0.829 1.00 61.54 C ATOM 88 C TYR A 7 19.769 -6.101 0.584 1.00 60.32 C ATOM 89 O TYR A 7 20.216 -5.896 -0.545 1.00 1.24 O ATOM 90 CB TYR A 7 17.856 -7.624 1.112 1.00 11.33 C ATOM 91 CG TYR A 7 16.365 -7.860 1.021 1.00 23.31 C ATOM 92 CD1 TYR A 7 15.462 -6.934 1.529 1.00 65.41 C ATOM 93 CD2 TYR A 7 15.860 -9.010 0.426 1.00 52.31 C ATOM 94 CE1 TYR A 7 14.100 -7.147 1.448 1.00 31.03 C ATOM 95 CE2 TYR A 7 14.499 -9.230 0.340 1.00 53.14 C ATOM 96 CZ TYR A 7 13.623 -8.296 0.853 1.00 51.04 C ATOM 97 OH TYR A 7 12.266 -8.511 0.769 1.00 3.21 O ATOM 0 H TYR A 7 17.731 -6.123 -1.197 1.00 55.05 H new ATOM 0 HA TYR A 7 18.024 -5.562 1.696 1.00 61.54 H new ATOM 0 HB2 TYR A 7 18.363 -8.281 0.406 1.00 11.33 H new ATOM 0 HB3 TYR A 7 18.199 -7.902 2.109 1.00 11.33 H new ATOM 0 HD1 TYR A 7 15.832 -6.033 1.995 1.00 65.41 H new ATOM 0 HD2 TYR A 7 16.543 -9.744 0.024 1.00 52.31 H new ATOM 0 HE1 TYR A 7 13.412 -6.417 1.849 1.00 31.03 H new ATOM 0 HE2 TYR A 7 14.123 -10.128 -0.126 1.00 53.14 H new ATOM 0 HH TYR A 7 11.851 -7.786 0.256 1.00 3.21 H new ATOM 107 N SER A 8 20.545 -6.269 1.650 1.00 72.30 N ATOM 108 CA SER A 8 21.999 -6.217 1.553 1.00 12.33 C ATOM 109 C SER A 8 22.620 -7.540 1.989 1.00 25.11 C ATOM 110 O SER A 8 22.412 -7.996 3.114 1.00 52.41 O ATOM 111 CB SER A 8 22.547 -5.075 2.412 1.00 22.40 C ATOM 112 OG SER A 8 21.759 -4.887 3.574 1.00 35.33 O ATOM 0 H SER A 8 20.191 -6.442 2.591 1.00 72.30 H new ATOM 0 HA SER A 8 22.264 -6.038 0.511 1.00 12.33 H new ATOM 0 HB2 SER A 8 23.576 -5.293 2.698 1.00 22.40 H new ATOM 0 HB3 SER A 8 22.566 -4.154 1.829 1.00 22.40 H new ATOM 0 HG SER A 8 22.131 -4.153 4.106 1.00 35.33 H new ATOM 118 N ILE A 9 23.385 -8.152 1.090 1.00 14.35 N ATOM 119 CA ILE A 9 24.038 -9.422 1.382 1.00 52.23 C ATOM 120 C ILE A 9 25.500 -9.399 0.951 1.00 63.45 C ATOM 121 O ILE A 9 25.833 -9.068 -0.188 1.00 32.13 O ATOM 122 CB ILE A 9 23.326 -10.594 0.682 1.00 72.53 C ATOM 123 CG1 ILE A 9 24.202 -11.848 0.722 1.00 73.43 C ATOM 124 CG2 ILE A 9 22.985 -10.226 -0.754 1.00 54.33 C ATOM 125 CD1 ILE A 9 24.980 -12.083 -0.554 1.00 53.01 C ATOM 0 H ILE A 9 23.567 -7.789 0.154 1.00 14.35 H new ATOM 0 HA ILE A 9 23.982 -9.566 2.461 1.00 52.23 H new ATOM 0 HB ILE A 9 22.397 -10.804 1.213 1.00 72.53 H new ATOM 0 HG12 ILE A 9 24.901 -11.767 1.554 1.00 73.43 H new ATOM 0 HG13 ILE A 9 23.572 -12.715 0.919 1.00 73.43 H new ATOM 0 HG21 ILE A 9 22.482 -11.065 -1.235 1.00 54.33 H new ATOM 0 HG22 ILE A 9 22.327 -9.357 -0.760 1.00 54.33 H new ATOM 0 HG23 ILE A 9 23.901 -9.992 -1.297 1.00 54.33 H new ATOM 0 HD11 ILE A 9 25.578 -12.988 -0.454 1.00 53.01 H new ATOM 0 HD12 ILE A 9 24.287 -12.197 -1.387 1.00 53.01 H new ATOM 0 HD13 ILE A 9 25.636 -11.233 -0.742 1.00 53.01 H new ATOM 137 N PRO A 10 26.397 -9.762 1.880 1.00 12.21 N ATOM 138 CA PRO A 10 27.839 -9.794 1.619 1.00 51.00 C ATOM 139 C PRO A 10 28.230 -10.916 0.663 1.00 1.03 C ATOM 140 O PRO A 10 27.797 -12.057 0.821 1.00 13.34 O ATOM 141 CB PRO A 10 28.445 -10.035 3.004 1.00 72.42 C ATOM 142 CG PRO A 10 27.370 -10.724 3.772 1.00 25.24 C ATOM 143 CD PRO A 10 26.072 -10.169 3.257 1.00 15.34 C ATOM 0 HA PRO A 10 28.187 -8.879 1.140 1.00 51.00 H new ATOM 0 HB2 PRO A 10 29.343 -10.649 2.942 1.00 72.42 H new ATOM 0 HB3 PRO A 10 28.732 -9.097 3.479 1.00 72.42 H new ATOM 0 HG2 PRO A 10 27.418 -11.803 3.627 1.00 25.24 H new ATOM 0 HG3 PRO A 10 27.476 -10.541 4.841 1.00 25.24 H new ATOM 0 HD2 PRO A 10 25.279 -10.916 3.278 1.00 15.34 H new ATOM 0 HD3 PRO A 10 25.730 -9.324 3.856 1.00 15.34 H new ATOM 151 N GLU A 11 29.052 -10.584 -0.327 1.00 51.24 N ATOM 152 CA GLU A 11 29.501 -11.565 -1.308 1.00 74.13 C ATOM 153 C GLU A 11 29.996 -12.834 -0.621 1.00 23.11 C ATOM 154 O GLU A 11 30.415 -12.802 0.536 1.00 43.14 O ATOM 155 CB GLU A 11 30.612 -10.976 -2.180 1.00 20.52 C ATOM 156 CG GLU A 11 30.138 -10.533 -3.554 1.00 20.43 C ATOM 157 CD GLU A 11 31.131 -10.869 -4.650 1.00 11.14 C ATOM 158 OE1 GLU A 11 32.291 -10.416 -4.557 1.00 22.21 O ATOM 159 OE2 GLU A 11 30.748 -11.583 -5.599 1.00 61.35 O ATOM 0 H GLU A 11 29.420 -9.644 -0.471 1.00 51.24 H new ATOM 0 HA GLU A 11 28.652 -11.823 -1.941 1.00 74.13 H new ATOM 0 HB2 GLU A 11 31.053 -10.123 -1.665 1.00 20.52 H new ATOM 0 HB3 GLU A 11 31.401 -11.719 -2.299 1.00 20.52 H new ATOM 0 HG2 GLU A 11 29.183 -11.009 -3.776 1.00 20.43 H new ATOM 0 HG3 GLU A 11 29.963 -9.457 -3.545 1.00 20.43 H new ATOM 166 N GLU A 12 29.944 -13.950 -1.342 1.00 43.31 N ATOM 167 CA GLU A 12 30.387 -15.229 -0.801 1.00 73.51 C ATOM 168 C GLU A 12 29.504 -15.661 0.366 1.00 33.13 C ATOM 169 O GLU A 12 29.969 -16.309 1.303 1.00 34.33 O ATOM 170 CB GLU A 12 31.845 -15.139 -0.346 1.00 33.32 C ATOM 171 CG GLU A 12 32.622 -16.432 -0.533 1.00 13.33 C ATOM 172 CD GLU A 12 33.617 -16.681 0.584 1.00 41.42 C ATOM 173 OE1 GLU A 12 33.178 -16.944 1.723 1.00 64.43 O ATOM 174 OE2 GLU A 12 34.835 -16.612 0.318 1.00 45.42 O ATOM 0 H GLU A 12 29.600 -13.994 -2.301 1.00 43.31 H new ATOM 0 HA GLU A 12 30.307 -15.976 -1.591 1.00 73.51 H new ATOM 0 HB2 GLU A 12 32.342 -14.343 -0.901 1.00 33.32 H new ATOM 0 HB3 GLU A 12 31.872 -14.858 0.707 1.00 33.32 H new ATOM 0 HG2 GLU A 12 31.923 -17.267 -0.585 1.00 13.33 H new ATOM 0 HG3 GLU A 12 33.151 -16.399 -1.485 1.00 13.33 H new ATOM 181 N ALA A 13 28.227 -15.296 0.302 1.00 45.03 N ATOM 182 CA ALA A 13 27.279 -15.646 1.351 1.00 32.15 C ATOM 183 C ALA A 13 26.799 -17.086 1.200 1.00 10.41 C ATOM 184 O ALA A 13 26.130 -17.429 0.225 1.00 64.10 O ATOM 185 CB ALA A 13 26.096 -14.689 1.335 1.00 41.04 C ATOM 0 H ALA A 13 27.826 -14.758 -0.466 1.00 45.03 H new ATOM 0 HA ALA A 13 27.789 -15.559 2.310 1.00 32.15 H new ATOM 0 HB1 ALA A 13 25.396 -14.963 2.124 1.00 41.04 H new ATOM 0 HB2 ALA A 13 26.449 -13.671 1.500 1.00 41.04 H new ATOM 0 HB3 ALA A 13 25.594 -14.747 0.369 1.00 41.04 H new ATOM 191 N LYS A 14 27.145 -17.925 2.170 1.00 11.35 N ATOM 192 CA LYS A 14 26.749 -19.328 2.146 1.00 4.03 C ATOM 193 C LYS A 14 25.242 -19.472 2.327 1.00 54.52 C ATOM 194 O LYS A 14 24.589 -18.600 2.903 1.00 45.03 O ATOM 195 CB LYS A 14 27.481 -20.104 3.243 1.00 23.43 C ATOM 196 CG LYS A 14 27.968 -21.473 2.799 1.00 42.44 C ATOM 197 CD LYS A 14 29.265 -21.856 3.492 1.00 13.23 C ATOM 198 CE LYS A 14 29.041 -22.948 4.527 1.00 4.45 C ATOM 199 NZ LYS A 14 30.265 -23.769 4.740 1.00 60.33 N ATOM 0 H LYS A 14 27.699 -17.658 2.983 1.00 11.35 H new ATOM 0 HA LYS A 14 27.021 -19.739 1.174 1.00 4.03 H new ATOM 0 HB2 LYS A 14 28.334 -19.517 3.584 1.00 23.43 H new ATOM 0 HB3 LYS A 14 26.815 -20.224 4.097 1.00 23.43 H new ATOM 0 HG2 LYS A 14 27.204 -22.220 3.016 1.00 42.44 H new ATOM 0 HG3 LYS A 14 28.117 -21.474 1.719 1.00 42.44 H new ATOM 0 HD2 LYS A 14 29.988 -22.198 2.751 1.00 13.23 H new ATOM 0 HD3 LYS A 14 29.694 -20.978 3.975 1.00 13.23 H new ATOM 0 HE2 LYS A 14 28.738 -22.497 5.472 1.00 4.45 H new ATOM 0 HE3 LYS A 14 28.223 -23.592 4.204 1.00 4.45 H new ATOM 0 HZ1 LYS A 14 30.072 -24.502 5.452 1.00 60.33 H new ATOM 0 HZ2 LYS A 14 30.540 -24.220 3.844 1.00 60.33 H new ATOM 0 HZ3 LYS A 14 31.039 -23.159 5.072 1.00 60.33 H new ATOM 213 N HIS A 15 24.694 -20.577 1.832 1.00 35.14 N ATOM 214 CA HIS A 15 23.262 -20.835 1.941 1.00 21.45 C ATOM 215 C HIS A 15 22.791 -20.682 3.385 1.00 72.55 C ATOM 216 O HIS A 15 23.251 -21.394 4.277 1.00 53.42 O ATOM 217 CB HIS A 15 22.936 -22.240 1.432 1.00 14.42 C ATOM 218 CG HIS A 15 23.383 -22.485 0.024 1.00 22.11 C ATOM 219 ND1 HIS A 15 23.612 -23.747 -0.484 1.00 11.52 N ATOM 220 CD2 HIS A 15 23.643 -21.622 -0.986 1.00 14.24 C ATOM 221 CE1 HIS A 15 23.994 -23.648 -1.744 1.00 63.54 C ATOM 222 NE2 HIS A 15 24.021 -22.370 -2.074 1.00 13.44 N ATOM 0 H HIS A 15 25.219 -21.308 1.352 1.00 35.14 H new ATOM 0 HA HIS A 15 22.738 -20.103 1.327 1.00 21.45 H new ATOM 0 HB2 HIS A 15 23.407 -22.973 2.087 1.00 14.42 H new ATOM 0 HB3 HIS A 15 21.860 -22.400 1.496 1.00 14.42 H new ATOM 0 HD2 HIS A 15 23.567 -20.545 -0.944 1.00 14.24 H new ATOM 0 HE1 HIS A 15 24.242 -24.473 -2.395 1.00 63.54 H new ATOM 0 HE2 HIS A 15 24.280 -21.999 -2.988 1.00 13.44 H new ATOM 230 N GLY A 16 21.871 -19.748 3.606 1.00 74.51 N ATOM 231 CA GLY A 16 21.353 -19.519 4.942 1.00 4.32 C ATOM 232 C GLY A 16 21.881 -18.237 5.555 1.00 15.34 C ATOM 233 O GLY A 16 21.664 -17.969 6.738 1.00 73.41 O ATOM 0 H GLY A 16 21.475 -19.146 2.884 1.00 74.51 H new ATOM 0 HA2 GLY A 16 20.264 -19.479 4.905 1.00 4.32 H new ATOM 0 HA3 GLY A 16 21.619 -20.361 5.581 1.00 4.32 H new ATOM 237 N THR A 17 22.577 -17.440 4.751 1.00 65.33 N ATOM 238 CA THR A 17 23.140 -16.181 5.221 1.00 12.24 C ATOM 239 C THR A 17 22.079 -15.087 5.265 1.00 72.13 C ATOM 240 O THR A 17 21.207 -15.020 4.398 1.00 12.42 O ATOM 241 CB THR A 17 24.304 -15.716 4.326 1.00 11.12 C ATOM 242 OG1 THR A 17 25.388 -16.648 4.409 1.00 51.12 O ATOM 243 CG2 THR A 17 24.785 -14.333 4.739 1.00 51.13 C ATOM 0 H THR A 17 22.764 -17.645 3.770 1.00 65.33 H new ATOM 0 HA THR A 17 23.516 -16.360 6.228 1.00 12.24 H new ATOM 0 HB THR A 17 23.946 -15.667 3.298 1.00 11.12 H new ATOM 0 HG1 THR A 17 25.143 -17.476 3.946 1.00 51.12 H new ATOM 0 HG21 THR A 17 25.607 -14.026 4.093 1.00 51.13 H new ATOM 0 HG22 THR A 17 23.965 -13.620 4.647 1.00 51.13 H new ATOM 0 HG23 THR A 17 25.127 -14.361 5.773 1.00 51.13 H new ATOM 251 N PHE A 18 22.159 -14.231 6.278 1.00 30.32 N ATOM 252 CA PHE A 18 21.205 -13.140 6.434 1.00 13.33 C ATOM 253 C PHE A 18 21.298 -12.164 5.265 1.00 61.23 C ATOM 254 O PHE A 18 22.391 -11.802 4.829 1.00 22.41 O ATOM 255 CB PHE A 18 21.454 -12.401 7.751 1.00 51.43 C ATOM 256 CG PHE A 18 20.775 -11.063 7.825 1.00 35.11 C ATOM 257 CD1 PHE A 18 19.410 -10.952 7.612 1.00 11.33 C ATOM 258 CD2 PHE A 18 21.500 -9.917 8.108 1.00 24.42 C ATOM 259 CE1 PHE A 18 18.783 -9.722 7.679 1.00 34.04 C ATOM 260 CE2 PHE A 18 20.878 -8.685 8.177 1.00 4.11 C ATOM 261 CZ PHE A 18 19.517 -8.587 7.963 1.00 25.43 C ATOM 0 H PHE A 18 22.875 -14.272 7.003 1.00 30.32 H new ATOM 0 HA PHE A 18 20.202 -13.567 6.449 1.00 13.33 H new ATOM 0 HB2 PHE A 18 21.108 -13.021 8.578 1.00 51.43 H new ATOM 0 HB3 PHE A 18 22.527 -12.263 7.884 1.00 51.43 H new ATOM 0 HD1 PHE A 18 18.830 -11.836 7.391 1.00 11.33 H new ATOM 0 HD2 PHE A 18 22.564 -9.987 8.277 1.00 24.42 H new ATOM 0 HE1 PHE A 18 17.719 -9.648 7.509 1.00 34.04 H new ATOM 0 HE2 PHE A 18 21.456 -7.800 8.398 1.00 4.11 H new ATOM 0 HZ PHE A 18 19.028 -7.626 8.018 1.00 25.43 H new ATOM 271 N VAL A 19 20.143 -11.742 4.760 1.00 71.40 N ATOM 272 CA VAL A 19 20.093 -10.809 3.641 1.00 11.43 C ATOM 273 C VAL A 19 19.308 -9.554 4.007 1.00 33.23 C ATOM 274 O VAL A 19 19.724 -8.437 3.703 1.00 62.43 O ATOM 275 CB VAL A 19 19.455 -11.456 2.398 1.00 72.01 C ATOM 276 CG1 VAL A 19 19.563 -10.528 1.198 1.00 61.14 C ATOM 277 CG2 VAL A 19 20.105 -12.799 2.104 1.00 22.41 C ATOM 0 H VAL A 19 19.229 -12.032 5.108 1.00 71.40 H new ATOM 0 HA VAL A 19 21.123 -10.536 3.410 1.00 11.43 H new ATOM 0 HB VAL A 19 18.398 -11.627 2.601 1.00 72.01 H new ATOM 0 HG11 VAL A 19 19.107 -11.002 0.329 1.00 61.14 H new ATOM 0 HG12 VAL A 19 19.047 -9.593 1.414 1.00 61.14 H new ATOM 0 HG13 VAL A 19 20.613 -10.323 0.990 1.00 61.14 H new ATOM 0 HG21 VAL A 19 19.642 -13.242 1.222 1.00 22.41 H new ATOM 0 HG22 VAL A 19 21.170 -12.656 1.921 1.00 22.41 H new ATOM 0 HG23 VAL A 19 19.970 -13.463 2.958 1.00 22.41 H new ATOM 287 N GLY A 20 18.168 -9.747 4.664 1.00 14.30 N ATOM 288 CA GLY A 20 17.342 -8.622 5.062 1.00 55.34 C ATOM 289 C GLY A 20 15.989 -9.054 5.592 1.00 22.44 C ATOM 290 O GLY A 20 15.634 -10.231 5.520 1.00 50.11 O ATOM 0 H GLY A 20 17.802 -10.662 4.928 1.00 14.30 H new ATOM 0 HA2 GLY A 20 17.862 -8.047 5.828 1.00 55.34 H new ATOM 0 HA3 GLY A 20 17.200 -7.960 4.208 1.00 55.34 H new ATOM 294 N ARG A 21 15.234 -8.102 6.129 1.00 14.12 N ATOM 295 CA ARG A 21 13.914 -8.391 6.677 1.00 20.51 C ATOM 296 C ARG A 21 12.829 -8.173 5.626 1.00 22.15 C ATOM 297 O ARG A 21 12.156 -7.142 5.621 1.00 74.33 O ATOM 298 CB ARG A 21 13.641 -7.511 7.898 1.00 30.31 C ATOM 299 CG ARG A 21 14.747 -7.555 8.940 1.00 51.31 C ATOM 300 CD ARG A 21 15.688 -6.368 8.803 1.00 63.43 C ATOM 301 NE ARG A 21 15.781 -5.597 10.040 1.00 61.44 N ATOM 302 CZ ARG A 21 16.439 -6.012 11.117 1.00 74.43 C ATOM 303 NH1 ARG A 21 17.058 -7.185 11.109 1.00 40.44 N ATOM 304 NH2 ARG A 21 16.478 -5.254 12.205 1.00 53.03 N ATOM 0 H ARG A 21 15.514 -7.123 6.197 1.00 14.12 H new ATOM 0 HA ARG A 21 13.896 -9.438 6.981 1.00 20.51 H new ATOM 0 HB2 ARG A 21 13.504 -6.481 7.569 1.00 30.31 H new ATOM 0 HB3 ARG A 21 12.705 -7.826 8.360 1.00 30.31 H new ATOM 0 HG2 ARG A 21 14.308 -7.560 9.938 1.00 51.31 H new ATOM 0 HG3 ARG A 21 15.311 -8.482 8.835 1.00 51.31 H new ATOM 0 HD2 ARG A 21 16.680 -6.722 8.521 1.00 63.43 H new ATOM 0 HD3 ARG A 21 15.340 -5.721 7.998 1.00 63.43 H new ATOM 0 HE ARG A 21 15.315 -4.690 10.079 1.00 61.44 H new ATOM 0 HH11 ARG A 21 17.030 -7.771 10.275 1.00 40.44 H new ATOM 0 HH12 ARG A 21 17.562 -7.501 11.937 1.00 40.44 H new ATOM 0 HH21 ARG A 21 16.003 -4.352 12.215 1.00 53.03 H new ATOM 0 HH22 ARG A 21 16.983 -5.574 13.031 1.00 53.03 H new ATOM 318 N ILE A 22 12.667 -9.149 4.740 1.00 72.24 N ATOM 319 CA ILE A 22 11.664 -9.064 3.685 1.00 11.44 C ATOM 320 C ILE A 22 10.297 -8.701 4.255 1.00 12.42 C ATOM 321 O ILE A 22 9.595 -7.845 3.716 1.00 65.32 O ATOM 322 CB ILE A 22 11.549 -10.389 2.909 1.00 14.21 C ATOM 323 CG1 ILE A 22 10.350 -10.346 1.959 1.00 42.22 C ATOM 324 CG2 ILE A 22 11.425 -11.559 3.874 1.00 52.41 C ATOM 325 CD1 ILE A 22 10.428 -11.363 0.842 1.00 41.33 C ATOM 0 H ILE A 22 13.217 -10.008 4.731 1.00 72.24 H new ATOM 0 HA ILE A 22 11.990 -8.280 3.002 1.00 11.44 H new ATOM 0 HB ILE A 22 12.454 -10.526 2.317 1.00 14.21 H new ATOM 0 HG12 ILE A 22 9.437 -10.515 2.531 1.00 42.22 H new ATOM 0 HG13 ILE A 22 10.275 -9.348 1.527 1.00 42.22 H new ATOM 0 HG21 ILE A 22 11.345 -12.489 3.310 1.00 52.41 H new ATOM 0 HG22 ILE A 22 12.306 -11.598 4.514 1.00 52.41 H new ATOM 0 HG23 ILE A 22 10.535 -11.430 4.490 1.00 52.41 H new ATOM 0 HD11 ILE A 22 9.546 -11.275 0.208 1.00 41.33 H new ATOM 0 HD12 ILE A 22 11.322 -11.181 0.246 1.00 41.33 H new ATOM 0 HD13 ILE A 22 10.472 -12.366 1.266 1.00 41.33 H new ATOM 337 N ALA A 23 9.925 -9.356 5.350 1.00 4.32 N ATOM 338 CA ALA A 23 8.644 -9.099 5.996 1.00 21.31 C ATOM 339 C ALA A 23 8.607 -7.703 6.607 1.00 10.30 C ATOM 340 O ALA A 23 7.684 -6.929 6.353 1.00 63.13 O ATOM 341 CB ALA A 23 8.370 -10.151 7.061 1.00 2.11 C ATOM 0 H ALA A 23 10.493 -10.069 5.808 1.00 4.32 H new ATOM 0 HA ALA A 23 7.864 -9.155 5.236 1.00 21.31 H new ATOM 0 HB1 ALA A 23 7.410 -9.947 7.536 1.00 2.11 H new ATOM 0 HB2 ALA A 23 8.344 -11.138 6.599 1.00 2.11 H new ATOM 0 HB3 ALA A 23 9.159 -10.123 7.812 1.00 2.11 H new ATOM 347 N GLN A 24 9.615 -7.388 7.414 1.00 43.33 N ATOM 348 CA GLN A 24 9.696 -6.084 8.062 1.00 51.04 C ATOM 349 C GLN A 24 9.593 -4.959 7.037 1.00 74.33 C ATOM 350 O GLN A 24 8.939 -3.944 7.278 1.00 30.30 O ATOM 351 CB GLN A 24 11.005 -5.959 8.843 1.00 61.31 C ATOM 352 CG GLN A 24 10.963 -4.905 9.937 1.00 52.52 C ATOM 353 CD GLN A 24 12.110 -3.918 9.841 1.00 71.10 C ATOM 354 OE1 GLN A 24 13.060 -3.976 10.622 1.00 42.40 O ATOM 355 NE2 GLN A 24 12.028 -3.005 8.880 1.00 35.40 N ATOM 0 H GLN A 24 10.387 -8.018 7.635 1.00 43.33 H new ATOM 0 HA GLN A 24 8.858 -5.998 8.754 1.00 51.04 H new ATOM 0 HB2 GLN A 24 11.246 -6.924 9.289 1.00 61.31 H new ATOM 0 HB3 GLN A 24 11.811 -5.719 8.149 1.00 61.31 H new ATOM 0 HG2 GLN A 24 10.018 -4.365 9.880 1.00 52.52 H new ATOM 0 HG3 GLN A 24 10.991 -5.395 10.910 1.00 52.52 H new ATOM 0 HE21 GLN A 24 11.222 -2.994 8.255 1.00 35.40 H new ATOM 0 HE22 GLN A 24 12.771 -2.315 8.767 1.00 35.40 H new ATOM 364 N ASP A 25 10.242 -5.147 5.893 1.00 51.40 N ATOM 365 CA ASP A 25 10.223 -4.148 4.830 1.00 33.04 C ATOM 366 C ASP A 25 8.889 -4.167 4.091 1.00 73.45 C ATOM 367 O ASP A 25 8.476 -3.165 3.506 1.00 0.32 O ATOM 368 CB ASP A 25 11.369 -4.395 3.848 1.00 35.41 C ATOM 369 CG ASP A 25 12.704 -4.560 4.546 1.00 2.21 C ATOM 370 OD1 ASP A 25 12.847 -4.054 5.679 1.00 64.42 O ATOM 371 OD2 ASP A 25 13.607 -5.193 3.959 1.00 32.23 O ATOM 0 H ASP A 25 10.788 -5.982 5.678 1.00 51.40 H new ATOM 0 HA ASP A 25 10.351 -3.166 5.285 1.00 33.04 H new ATOM 0 HB2 ASP A 25 11.155 -5.289 3.263 1.00 35.41 H new ATOM 0 HB3 ASP A 25 11.429 -3.562 3.147 1.00 35.41 H new ATOM 376 N LEU A 26 8.219 -5.314 4.119 1.00 63.54 N ATOM 377 CA LEU A 26 6.932 -5.465 3.450 1.00 73.43 C ATOM 378 C LEU A 26 5.813 -4.836 4.274 1.00 71.04 C ATOM 379 O LEU A 26 4.908 -4.205 3.730 1.00 14.32 O ATOM 380 CB LEU A 26 6.631 -6.946 3.207 1.00 2.51 C ATOM 381 CG LEU A 26 6.820 -7.443 1.773 1.00 1.45 C ATOM 382 CD1 LEU A 26 8.222 -7.124 1.278 1.00 3.14 C ATOM 383 CD2 LEU A 26 6.549 -8.938 1.687 1.00 10.52 C ATOM 0 H LEU A 26 8.546 -6.153 4.598 1.00 63.54 H new ATOM 0 HA LEU A 26 6.986 -4.950 2.491 1.00 73.43 H new ATOM 0 HB2 LEU A 26 7.269 -7.538 3.863 1.00 2.51 H new ATOM 0 HB3 LEU A 26 5.601 -7.140 3.505 1.00 2.51 H new ATOM 0 HG LEU A 26 6.105 -6.927 1.132 1.00 1.45 H new ATOM 0 HD11 LEU A 26 8.338 -7.485 0.256 1.00 3.14 H new ATOM 0 HD12 LEU A 26 8.380 -6.046 1.302 1.00 3.14 H new ATOM 0 HD13 LEU A 26 8.955 -7.612 1.921 1.00 3.14 H new ATOM 0 HD21 LEU A 26 6.688 -9.274 0.660 1.00 10.52 H new ATOM 0 HD22 LEU A 26 7.240 -9.471 2.340 1.00 10.52 H new ATOM 0 HD23 LEU A 26 5.525 -9.141 2.000 1.00 10.52 H new ATOM 395 N GLY A 27 5.884 -5.011 5.590 1.00 74.22 N ATOM 396 CA GLY A 27 4.872 -4.453 6.468 1.00 41.42 C ATOM 397 C GLY A 27 3.734 -5.419 6.730 1.00 50.02 C ATOM 398 O GLY A 27 2.562 -5.052 6.631 1.00 44.24 O ATOM 0 H GLY A 27 6.624 -5.529 6.064 1.00 74.22 H new ATOM 0 HA2 GLY A 27 5.332 -4.173 7.416 1.00 41.42 H new ATOM 0 HA3 GLY A 27 4.474 -3.540 6.025 1.00 41.42 H new ATOM 402 N LEU A 28 4.077 -6.658 7.064 1.00 62.15 N ATOM 403 CA LEU A 28 3.075 -7.682 7.339 1.00 0.20 C ATOM 404 C LEU A 28 3.419 -8.452 8.610 1.00 74.11 C ATOM 405 O LEU A 28 4.559 -8.428 9.072 1.00 33.00 O ATOM 406 CB LEU A 28 2.966 -8.647 6.158 1.00 74.34 C ATOM 407 CG LEU A 28 4.128 -8.627 5.164 1.00 12.22 C ATOM 408 CD1 LEU A 28 5.380 -9.215 5.795 1.00 21.15 C ATOM 409 CD2 LEU A 28 3.760 -9.386 3.897 1.00 0.34 C ATOM 0 H LEU A 28 5.042 -6.978 7.151 1.00 62.15 H new ATOM 0 HA LEU A 28 2.115 -7.187 7.485 1.00 0.20 H new ATOM 0 HB2 LEU A 28 2.867 -9.659 6.550 1.00 74.34 H new ATOM 0 HB3 LEU A 28 2.047 -8.424 5.616 1.00 74.34 H new ATOM 0 HG LEU A 28 4.333 -7.591 4.896 1.00 12.22 H new ATOM 0 HD11 LEU A 28 6.196 -9.192 5.073 1.00 21.15 H new ATOM 0 HD12 LEU A 28 5.655 -8.629 6.672 1.00 21.15 H new ATOM 0 HD13 LEU A 28 5.188 -10.246 6.093 1.00 21.15 H new ATOM 0 HD21 LEU A 28 4.599 -9.361 3.201 1.00 0.34 H new ATOM 0 HD22 LEU A 28 3.527 -10.421 4.148 1.00 0.34 H new ATOM 0 HD23 LEU A 28 2.890 -8.920 3.433 1.00 0.34 H new ATOM 421 N GLU A 29 2.425 -9.136 9.168 1.00 33.12 N ATOM 422 CA GLU A 29 2.623 -9.915 10.385 1.00 2.30 C ATOM 423 C GLU A 29 3.347 -11.223 10.082 1.00 60.45 C ATOM 424 O GLU A 29 3.162 -11.816 9.018 1.00 71.41 O ATOM 425 CB GLU A 29 1.279 -10.206 11.055 1.00 20.24 C ATOM 426 CG GLU A 29 1.169 -9.652 12.466 1.00 45.11 C ATOM 427 CD GLU A 29 -0.243 -9.722 13.012 1.00 14.21 C ATOM 428 OE1 GLU A 29 -1.045 -8.816 12.702 1.00 34.30 O ATOM 429 OE2 GLU A 29 -0.547 -10.683 13.750 1.00 43.13 O ATOM 0 H GLU A 29 1.475 -9.167 8.797 1.00 33.12 H new ATOM 0 HA GLU A 29 3.240 -9.328 11.065 1.00 2.30 H new ATOM 0 HB2 GLU A 29 0.480 -9.785 10.445 1.00 20.24 H new ATOM 0 HB3 GLU A 29 1.123 -11.284 11.084 1.00 20.24 H new ATOM 0 HG2 GLU A 29 1.837 -10.208 13.124 1.00 45.11 H new ATOM 0 HG3 GLU A 29 1.506 -8.615 12.473 1.00 45.11 H new ATOM 436 N LEU A 30 4.172 -11.668 11.023 1.00 44.13 N ATOM 437 CA LEU A 30 4.926 -12.906 10.857 1.00 35.32 C ATOM 438 C LEU A 30 4.000 -14.118 10.909 1.00 51.43 C ATOM 439 O LEU A 30 4.290 -15.160 10.321 1.00 74.14 O ATOM 440 CB LEU A 30 5.998 -13.023 11.942 1.00 72.01 C ATOM 441 CG LEU A 30 7.432 -13.222 11.450 1.00 53.24 C ATOM 442 CD1 LEU A 30 7.593 -14.595 10.817 1.00 63.32 C ATOM 443 CD2 LEU A 30 7.813 -12.129 10.461 1.00 34.13 C ATOM 0 H LEU A 30 4.336 -11.190 11.909 1.00 44.13 H new ATOM 0 HA LEU A 30 5.408 -12.881 9.880 1.00 35.32 H new ATOM 0 HB2 LEU A 30 5.967 -12.122 12.554 1.00 72.01 H new ATOM 0 HB3 LEU A 30 5.739 -13.859 12.592 1.00 72.01 H new ATOM 0 HG LEU A 30 8.102 -13.159 12.307 1.00 53.24 H new ATOM 0 HD11 LEU A 30 8.620 -14.719 10.473 1.00 63.32 H new ATOM 0 HD12 LEU A 30 7.362 -15.365 11.554 1.00 63.32 H new ATOM 0 HD13 LEU A 30 6.913 -14.687 9.970 1.00 63.32 H new ATOM 0 HD21 LEU A 30 8.837 -12.286 10.121 1.00 34.13 H new ATOM 0 HD22 LEU A 30 7.138 -12.161 9.606 1.00 34.13 H new ATOM 0 HD23 LEU A 30 7.738 -11.156 10.947 1.00 34.13 H new ATOM 455 N THR A 31 2.883 -13.973 11.615 1.00 52.21 N ATOM 456 CA THR A 31 1.914 -15.054 11.742 1.00 13.25 C ATOM 457 C THR A 31 0.802 -14.921 10.708 1.00 42.22 C ATOM 458 O THR A 31 -0.141 -15.710 10.693 1.00 34.30 O ATOM 459 CB THR A 31 1.288 -15.085 13.150 1.00 45.41 C ATOM 460 OG1 THR A 31 0.450 -13.939 13.339 1.00 63.13 O ATOM 461 CG2 THR A 31 2.368 -15.111 14.221 1.00 22.52 C ATOM 0 H THR A 31 2.627 -13.117 12.108 1.00 52.21 H new ATOM 0 HA THR A 31 2.456 -15.985 11.572 1.00 13.25 H new ATOM 0 HB THR A 31 0.689 -15.991 13.238 1.00 45.41 H new ATOM 0 HG1 THR A 31 0.055 -13.967 14.235 1.00 63.13 H new ATOM 0 HG21 THR A 31 1.903 -15.133 15.206 1.00 22.52 H new ATOM 0 HG22 THR A 31 2.987 -15.999 14.092 1.00 22.52 H new ATOM 0 HG23 THR A 31 2.989 -14.220 14.133 1.00 22.52 H new ATOM 469 N GLU A 32 0.921 -13.917 9.844 1.00 61.52 N ATOM 470 CA GLU A 32 -0.075 -13.682 8.805 1.00 33.35 C ATOM 471 C GLU A 32 0.413 -14.201 7.456 1.00 54.33 C ATOM 472 O GLU A 32 -0.361 -14.312 6.504 1.00 52.43 O ATOM 473 CB GLU A 32 -0.397 -12.190 8.705 1.00 41.31 C ATOM 474 CG GLU A 32 -1.731 -11.898 8.039 1.00 33.22 C ATOM 475 CD GLU A 32 -2.911 -12.178 8.950 1.00 70.12 C ATOM 476 OE1 GLU A 32 -2.685 -12.622 10.095 1.00 52.30 O ATOM 477 OE2 GLU A 32 -4.061 -11.953 8.517 1.00 44.24 O ATOM 0 H GLU A 32 1.696 -13.254 9.843 1.00 61.52 H new ATOM 0 HA GLU A 32 -0.981 -14.224 9.076 1.00 33.35 H new ATOM 0 HB2 GLU A 32 -0.399 -11.759 9.706 1.00 41.31 H new ATOM 0 HB3 GLU A 32 0.395 -11.693 8.145 1.00 41.31 H new ATOM 0 HG2 GLU A 32 -1.757 -10.854 7.728 1.00 33.22 H new ATOM 0 HG3 GLU A 32 -1.822 -12.502 7.136 1.00 33.22 H new ATOM 484 N LEU A 33 1.701 -14.516 7.381 1.00 72.34 N ATOM 485 CA LEU A 33 2.294 -15.023 6.148 1.00 52.33 C ATOM 486 C LEU A 33 1.741 -16.402 5.804 1.00 71.01 C ATOM 487 O LEU A 33 1.408 -16.679 4.652 1.00 73.54 O ATOM 488 CB LEU A 33 3.816 -15.090 6.281 1.00 42.32 C ATOM 489 CG LEU A 33 4.523 -13.766 6.576 1.00 20.33 C ATOM 490 CD1 LEU A 33 5.664 -13.979 7.559 1.00 45.54 C ATOM 491 CD2 LEU A 33 5.035 -13.136 5.289 1.00 32.02 C ATOM 0 H LEU A 33 2.355 -14.429 8.159 1.00 72.34 H new ATOM 0 HA LEU A 33 2.036 -14.337 5.341 1.00 52.33 H new ATOM 0 HB2 LEU A 33 4.061 -15.794 7.076 1.00 42.32 H new ATOM 0 HB3 LEU A 33 4.224 -15.499 5.356 1.00 42.32 H new ATOM 0 HG LEU A 33 3.803 -13.084 7.028 1.00 20.33 H new ATOM 0 HD11 LEU A 33 6.156 -13.027 7.757 1.00 45.54 H new ATOM 0 HD12 LEU A 33 5.270 -14.385 8.491 1.00 45.54 H new ATOM 0 HD13 LEU A 33 6.385 -14.678 7.134 1.00 45.54 H new ATOM 0 HD21 LEU A 33 5.535 -12.195 5.518 1.00 32.02 H new ATOM 0 HD22 LEU A 33 5.740 -13.814 4.808 1.00 32.02 H new ATOM 0 HD23 LEU A 33 4.197 -12.947 4.618 1.00 32.02 H new ATOM 503 N VAL A 34 1.644 -17.263 6.812 1.00 71.21 N ATOM 504 CA VAL A 34 1.128 -18.613 6.617 1.00 12.13 C ATOM 505 C VAL A 34 -0.213 -18.589 5.893 1.00 35.31 C ATOM 506 O VAL A 34 -0.381 -19.179 4.826 1.00 72.35 O ATOM 507 CB VAL A 34 0.961 -19.349 7.960 1.00 10.10 C ATOM 508 CG1 VAL A 34 -0.189 -20.342 7.886 1.00 40.24 C ATOM 509 CG2 VAL A 34 2.255 -20.048 8.349 1.00 42.45 C ATOM 0 H VAL A 34 1.916 -17.050 7.772 1.00 71.21 H new ATOM 0 HA VAL A 34 1.857 -19.146 6.007 1.00 12.13 H new ATOM 0 HB VAL A 34 0.726 -18.614 8.730 1.00 10.10 H new ATOM 0 HG11 VAL A 34 -0.291 -20.852 8.844 1.00 40.24 H new ATOM 0 HG12 VAL A 34 -1.113 -19.812 7.657 1.00 40.24 H new ATOM 0 HG13 VAL A 34 0.013 -21.075 7.105 1.00 40.24 H new ATOM 0 HG21 VAL A 34 2.119 -20.563 9.300 1.00 42.45 H new ATOM 0 HG22 VAL A 34 2.523 -20.772 7.580 1.00 42.45 H new ATOM 0 HG23 VAL A 34 3.052 -19.311 8.446 1.00 42.45 H new ATOM 519 N PRO A 35 -1.193 -17.891 6.485 1.00 15.14 N ATOM 520 CA PRO A 35 -2.538 -17.772 5.913 1.00 30.25 C ATOM 521 C PRO A 35 -2.558 -16.917 4.651 1.00 3.13 C ATOM 522 O PRO A 35 -3.520 -16.948 3.884 1.00 61.11 O ATOM 523 CB PRO A 35 -3.340 -17.097 7.029 1.00 22.52 C ATOM 524 CG PRO A 35 -2.327 -16.348 7.824 1.00 64.22 C ATOM 525 CD PRO A 35 -1.064 -17.163 7.759 1.00 53.33 C ATOM 0 HA PRO A 35 -2.937 -18.739 5.607 1.00 30.25 H new ATOM 0 HB2 PRO A 35 -4.098 -16.428 6.622 1.00 22.52 H new ATOM 0 HB3 PRO A 35 -3.860 -17.832 7.643 1.00 22.52 H new ATOM 0 HG2 PRO A 35 -2.169 -15.350 7.414 1.00 64.22 H new ATOM 0 HG3 PRO A 35 -2.657 -16.221 8.855 1.00 64.22 H new ATOM 0 HD2 PRO A 35 -0.176 -16.530 7.772 1.00 53.33 H new ATOM 0 HD3 PRO A 35 -0.982 -17.845 8.605 1.00 53.33 H new ATOM 533 N ARG A 36 -1.490 -16.154 4.442 1.00 24.21 N ATOM 534 CA ARG A 36 -1.385 -15.290 3.273 1.00 52.22 C ATOM 535 C ARG A 36 -0.724 -16.025 2.111 1.00 45.33 C ATOM 536 O ARG A 36 -0.391 -15.422 1.090 1.00 44.45 O ATOM 537 CB ARG A 36 -0.588 -14.029 3.613 1.00 23.54 C ATOM 538 CG ARG A 36 -1.430 -12.923 4.227 1.00 31.10 C ATOM 539 CD ARG A 36 -0.561 -11.834 4.837 1.00 20.51 C ATOM 540 NE ARG A 36 -1.225 -10.534 4.826 1.00 2.30 N ATOM 541 CZ ARG A 36 -0.898 -9.535 5.638 1.00 3.22 C ATOM 542 NH1 ARG A 36 0.080 -9.687 6.521 1.00 14.31 N ATOM 543 NH2 ARG A 36 -1.549 -8.381 5.568 1.00 45.52 N ATOM 0 H ARG A 36 -0.685 -16.117 5.067 1.00 24.21 H new ATOM 0 HA ARG A 36 -2.393 -15.004 2.973 1.00 52.22 H new ATOM 0 HB2 ARG A 36 0.213 -14.291 4.305 1.00 23.54 H new ATOM 0 HB3 ARG A 36 -0.115 -13.653 2.706 1.00 23.54 H new ATOM 0 HG2 ARG A 36 -2.076 -12.489 3.463 1.00 31.10 H new ATOM 0 HG3 ARG A 36 -2.081 -13.343 4.994 1.00 31.10 H new ATOM 0 HD2 ARG A 36 -0.309 -12.104 5.863 1.00 20.51 H new ATOM 0 HD3 ARG A 36 0.377 -11.767 4.285 1.00 20.51 H new ATOM 0 HE ARG A 36 -1.981 -10.385 4.158 1.00 2.30 H new ATOM 0 HH11 ARG A 36 0.583 -10.573 6.578 1.00 14.31 H new ATOM 0 HH12 ARG A 36 0.329 -8.918 7.143 1.00 14.31 H new ATOM 0 HH21 ARG A 36 -2.302 -8.260 4.890 1.00 45.52 H new ATOM 0 HH22 ARG A 36 -1.297 -7.615 6.192 1.00 45.52 H new ATOM 557 N LEU A 37 -0.535 -17.330 2.273 1.00 14.42 N ATOM 558 CA LEU A 37 0.087 -18.148 1.238 1.00 1.30 C ATOM 559 C LEU A 37 1.354 -17.484 0.708 1.00 21.00 C ATOM 560 O LEU A 37 1.493 -17.259 -0.494 1.00 63.35 O ATOM 561 CB LEU A 37 -0.895 -18.387 0.090 1.00 33.22 C ATOM 562 CG LEU A 37 -1.889 -19.533 0.285 1.00 23.20 C ATOM 563 CD1 LEU A 37 -1.153 -20.851 0.475 1.00 11.44 C ATOM 564 CD2 LEU A 37 -2.800 -19.253 1.471 1.00 73.11 C ATOM 0 H LEU A 37 -0.804 -17.844 3.112 1.00 14.42 H new ATOM 0 HA LEU A 37 0.358 -19.106 1.681 1.00 1.30 H new ATOM 0 HB2 LEU A 37 -1.458 -17.469 -0.077 1.00 33.22 H new ATOM 0 HB3 LEU A 37 -0.322 -18.580 -0.817 1.00 33.22 H new ATOM 0 HG LEU A 37 -2.506 -19.610 -0.611 1.00 23.20 H new ATOM 0 HD11 LEU A 37 -1.876 -21.655 0.612 1.00 11.44 H new ATOM 0 HD12 LEU A 37 -0.543 -21.057 -0.405 1.00 11.44 H new ATOM 0 HD13 LEU A 37 -0.511 -20.786 1.354 1.00 11.44 H new ATOM 0 HD21 LEU A 37 -3.501 -20.079 1.595 1.00 73.11 H new ATOM 0 HD22 LEU A 37 -2.199 -19.148 2.374 1.00 73.11 H new ATOM 0 HD23 LEU A 37 -3.354 -18.331 1.295 1.00 73.11 H new ATOM 576 N PHE A 38 2.277 -17.174 1.613 1.00 34.40 N ATOM 577 CA PHE A 38 3.533 -16.538 1.237 1.00 44.34 C ATOM 578 C PHE A 38 4.448 -17.524 0.516 1.00 41.20 C ATOM 579 O PHE A 38 4.643 -18.652 0.970 1.00 51.45 O ATOM 580 CB PHE A 38 4.239 -15.982 2.475 1.00 10.23 C ATOM 581 CG PHE A 38 5.015 -14.724 2.209 1.00 10.31 C ATOM 582 CD1 PHE A 38 4.378 -13.494 2.183 1.00 40.42 C ATOM 583 CD2 PHE A 38 6.381 -14.771 1.984 1.00 25.35 C ATOM 584 CE1 PHE A 38 5.089 -12.334 1.938 1.00 2.25 C ATOM 585 CE2 PHE A 38 7.098 -13.615 1.740 1.00 11.01 C ATOM 586 CZ PHE A 38 6.451 -12.395 1.716 1.00 52.12 C ATOM 0 H PHE A 38 2.178 -17.353 2.612 1.00 34.40 H new ATOM 0 HA PHE A 38 3.306 -15.717 0.557 1.00 44.34 H new ATOM 0 HB2 PHE A 38 3.497 -15.785 3.249 1.00 10.23 H new ATOM 0 HB3 PHE A 38 4.916 -16.740 2.869 1.00 10.23 H new ATOM 0 HD1 PHE A 38 3.313 -13.441 2.356 1.00 40.42 H new ATOM 0 HD2 PHE A 38 6.892 -15.722 1.999 1.00 25.35 H new ATOM 0 HE1 PHE A 38 4.580 -11.381 1.920 1.00 2.25 H new ATOM 0 HE2 PHE A 38 8.163 -13.666 1.568 1.00 11.01 H new ATOM 0 HZ PHE A 38 7.009 -11.490 1.524 1.00 52.12 H new ATOM 596 N ARG A 39 5.006 -17.090 -0.610 1.00 1.15 N ATOM 597 CA ARG A 39 5.899 -17.934 -1.395 1.00 33.05 C ATOM 598 C ARG A 39 6.926 -17.090 -2.144 1.00 74.11 C ATOM 599 O ARG A 39 6.632 -15.976 -2.577 1.00 52.14 O ATOM 600 CB ARG A 39 5.096 -18.779 -2.386 1.00 11.24 C ATOM 601 CG ARG A 39 4.921 -20.225 -1.951 1.00 53.23 C ATOM 602 CD ARG A 39 5.262 -21.189 -3.076 1.00 61.51 C ATOM 603 NE ARG A 39 4.524 -22.445 -2.964 1.00 12.53 N ATOM 604 CZ ARG A 39 4.720 -23.487 -3.763 1.00 41.25 C ATOM 605 NH1 ARG A 39 5.627 -23.425 -4.729 1.00 1.45 N ATOM 606 NH2 ARG A 39 4.009 -24.595 -3.598 1.00 53.33 N ATOM 0 H ARG A 39 4.855 -16.159 -0.999 1.00 1.15 H new ATOM 0 HA ARG A 39 6.429 -18.596 -0.710 1.00 33.05 H new ATOM 0 HB2 ARG A 39 4.113 -18.328 -2.522 1.00 11.24 H new ATOM 0 HB3 ARG A 39 5.594 -18.758 -3.356 1.00 11.24 H new ATOM 0 HG2 ARG A 39 5.559 -20.427 -1.091 1.00 53.23 H new ATOM 0 HG3 ARG A 39 3.892 -20.388 -1.630 1.00 53.23 H new ATOM 0 HD2 ARG A 39 5.038 -20.721 -4.035 1.00 61.51 H new ATOM 0 HD3 ARG A 39 6.332 -21.395 -3.065 1.00 61.51 H new ATOM 0 HE ARG A 39 3.819 -22.526 -2.231 1.00 12.53 H new ATOM 0 HH11 ARG A 39 6.176 -22.575 -4.859 1.00 1.45 H new ATOM 0 HH12 ARG A 39 5.775 -24.227 -5.341 1.00 1.45 H new ATOM 0 HH21 ARG A 39 3.311 -24.647 -2.856 1.00 53.33 H new ATOM 0 HH22 ARG A 39 4.161 -25.395 -4.213 1.00 53.33 H new ATOM 620 N VAL A 40 8.132 -17.629 -2.293 1.00 13.13 N ATOM 621 CA VAL A 40 9.202 -16.926 -2.990 1.00 22.31 C ATOM 622 C VAL A 40 9.432 -17.513 -4.378 1.00 71.40 C ATOM 623 O VAL A 40 9.322 -18.723 -4.577 1.00 45.24 O ATOM 624 CB VAL A 40 10.521 -16.983 -2.196 1.00 12.20 C ATOM 625 CG1 VAL A 40 11.615 -16.215 -2.922 1.00 12.10 C ATOM 626 CG2 VAL A 40 10.319 -16.439 -0.790 1.00 2.42 C ATOM 0 H VAL A 40 8.392 -18.550 -1.940 1.00 13.13 H new ATOM 0 HA VAL A 40 8.888 -15.887 -3.085 1.00 22.31 H new ATOM 0 HB VAL A 40 10.833 -18.024 -2.117 1.00 12.20 H new ATOM 0 HG11 VAL A 40 12.539 -16.266 -2.346 1.00 12.10 H new ATOM 0 HG12 VAL A 40 11.776 -16.654 -3.906 1.00 12.10 H new ATOM 0 HG13 VAL A 40 11.315 -15.173 -3.034 1.00 12.10 H new ATOM 0 HG21 VAL A 40 11.260 -16.487 -0.243 1.00 2.42 H new ATOM 0 HG22 VAL A 40 9.983 -15.403 -0.845 1.00 2.42 H new ATOM 0 HG23 VAL A 40 9.568 -17.037 -0.273 1.00 2.42 H new ATOM 636 N ALA A 41 9.752 -16.648 -5.335 1.00 34.31 N ATOM 637 CA ALA A 41 10.000 -17.081 -6.704 1.00 74.24 C ATOM 638 C ALA A 41 10.821 -16.047 -7.467 1.00 21.22 C ATOM 639 O ALA A 41 11.160 -14.992 -6.931 1.00 51.01 O ATOM 640 CB ALA A 41 8.684 -17.345 -7.421 1.00 34.20 C ATOM 0 H ALA A 41 9.845 -15.643 -5.187 1.00 34.31 H new ATOM 0 HA ALA A 41 10.574 -18.007 -6.667 1.00 74.24 H new ATOM 0 HB1 ALA A 41 8.885 -17.668 -8.443 1.00 34.20 H new ATOM 0 HB2 ALA A 41 8.133 -18.125 -6.895 1.00 34.20 H new ATOM 0 HB3 ALA A 41 8.090 -16.431 -7.439 1.00 34.20 H new ATOM 646 N SER A 42 11.139 -16.357 -8.720 1.00 32.43 N ATOM 647 CA SER A 42 11.925 -15.456 -9.554 1.00 71.44 C ATOM 648 C SER A 42 11.630 -15.690 -11.033 1.00 64.10 C ATOM 649 O SER A 42 11.170 -16.763 -11.425 1.00 1.31 O ATOM 650 CB SER A 42 13.418 -15.649 -9.284 1.00 3.05 C ATOM 651 OG SER A 42 14.079 -16.175 -10.421 1.00 43.54 O ATOM 0 H SER A 42 10.864 -17.225 -9.180 1.00 32.43 H new ATOM 0 HA SER A 42 11.647 -14.432 -9.303 1.00 71.44 H new ATOM 0 HB2 SER A 42 13.867 -14.695 -9.008 1.00 3.05 H new ATOM 0 HB3 SER A 42 13.553 -16.322 -8.437 1.00 3.05 H new ATOM 0 HG SER A 42 14.825 -15.589 -10.666 1.00 43.54 H new ATOM 657 N LYS A 43 11.899 -14.678 -11.850 1.00 42.34 N ATOM 658 CA LYS A 43 11.665 -14.770 -13.287 1.00 22.44 C ATOM 659 C LYS A 43 12.914 -15.264 -14.011 1.00 11.34 C ATOM 660 O LYS A 43 13.007 -15.180 -15.235 1.00 54.14 O ATOM 661 CB LYS A 43 11.244 -13.409 -13.844 1.00 73.04 C ATOM 662 CG LYS A 43 10.423 -13.502 -15.119 1.00 51.30 C ATOM 663 CD LYS A 43 9.166 -12.651 -15.036 1.00 63.31 C ATOM 664 CE LYS A 43 8.169 -13.023 -16.123 1.00 43.31 C ATOM 665 NZ LYS A 43 8.421 -12.274 -17.386 1.00 31.53 N ATOM 0 H LYS A 43 12.280 -13.783 -11.542 1.00 42.34 H new ATOM 0 HA LYS A 43 10.862 -15.488 -13.454 1.00 22.44 H new ATOM 0 HB2 LYS A 43 10.666 -12.879 -13.087 1.00 73.04 H new ATOM 0 HB3 LYS A 43 12.136 -12.814 -14.039 1.00 73.04 H new ATOM 0 HG2 LYS A 43 11.027 -13.178 -15.966 1.00 51.30 H new ATOM 0 HG3 LYS A 43 10.149 -14.541 -15.301 1.00 51.30 H new ATOM 0 HD2 LYS A 43 8.703 -12.778 -14.057 1.00 63.31 H new ATOM 0 HD3 LYS A 43 9.431 -11.598 -15.129 1.00 63.31 H new ATOM 0 HE2 LYS A 43 8.227 -14.094 -16.318 1.00 43.31 H new ATOM 0 HE3 LYS A 43 7.157 -12.817 -15.774 1.00 43.31 H new ATOM 0 HZ1 LYS A 43 7.721 -12.555 -18.102 1.00 31.53 H new ATOM 0 HZ2 LYS A 43 8.341 -11.253 -17.206 1.00 31.53 H new ATOM 0 HZ3 LYS A 43 9.377 -12.490 -17.733 1.00 31.53 H new ATOM 679 N ASP A 44 13.871 -15.779 -13.246 1.00 54.33 N ATOM 680 CA ASP A 44 15.113 -16.288 -13.815 1.00 72.15 C ATOM 681 C ASP A 44 15.260 -17.783 -13.549 1.00 74.03 C ATOM 682 O ASP A 44 15.048 -18.606 -14.440 1.00 41.12 O ATOM 683 CB ASP A 44 16.311 -15.534 -13.236 1.00 70.34 C ATOM 684 CG ASP A 44 16.576 -14.227 -13.957 1.00 60.23 C ATOM 685 OD1 ASP A 44 15.965 -13.207 -13.578 1.00 52.43 O ATOM 686 OD2 ASP A 44 17.394 -14.225 -14.901 1.00 61.02 O ATOM 0 H ASP A 44 13.810 -15.855 -12.231 1.00 54.33 H new ATOM 0 HA ASP A 44 15.081 -16.130 -14.893 1.00 72.15 H new ATOM 0 HB2 ASP A 44 16.134 -15.333 -12.179 1.00 70.34 H new ATOM 0 HB3 ASP A 44 17.198 -16.165 -13.296 1.00 70.34 H new ATOM 691 N ARG A 45 15.624 -18.127 -12.318 1.00 42.33 N ATOM 692 CA ARG A 45 15.802 -19.522 -11.936 1.00 33.24 C ATOM 693 C ARG A 45 14.839 -19.905 -10.815 1.00 64.41 C ATOM 694 O ARG A 45 14.594 -21.086 -10.570 1.00 4.31 O ATOM 695 CB ARG A 45 17.244 -19.772 -11.491 1.00 41.22 C ATOM 696 CG ARG A 45 17.967 -20.814 -12.328 1.00 24.41 C ATOM 697 CD ARG A 45 19.466 -20.793 -12.071 1.00 41.22 C ATOM 698 NE ARG A 45 20.071 -22.110 -12.249 1.00 70.11 N ATOM 699 CZ ARG A 45 21.323 -22.396 -11.909 1.00 32.01 C ATOM 700 NH1 ARG A 45 22.098 -21.462 -11.375 1.00 60.23 N ATOM 701 NH2 ARG A 45 21.801 -23.619 -12.102 1.00 3.52 N ATOM 0 H ARG A 45 15.801 -17.458 -11.568 1.00 42.33 H new ATOM 0 HA ARG A 45 15.586 -20.141 -12.806 1.00 33.24 H new ATOM 0 HB2 ARG A 45 17.797 -18.834 -11.536 1.00 41.22 H new ATOM 0 HB3 ARG A 45 17.244 -20.092 -10.449 1.00 41.22 H new ATOM 0 HG2 ARG A 45 17.571 -21.804 -12.100 1.00 24.41 H new ATOM 0 HG3 ARG A 45 17.775 -20.630 -13.385 1.00 24.41 H new ATOM 0 HD2 ARG A 45 19.940 -20.082 -12.748 1.00 41.22 H new ATOM 0 HD3 ARG A 45 19.655 -20.442 -11.057 1.00 41.22 H new ATOM 0 HE ARG A 45 19.501 -22.851 -12.657 1.00 70.11 H new ATOM 0 HH11 ARG A 45 21.733 -20.521 -11.224 1.00 60.23 H new ATOM 0 HH12 ARG A 45 23.059 -21.684 -11.115 1.00 60.23 H new ATOM 0 HH21 ARG A 45 21.207 -24.340 -12.512 1.00 3.52 H new ATOM 0 HH22 ARG A 45 22.762 -23.838 -11.841 1.00 3.52 H new ATOM 715 N GLY A 46 14.297 -18.898 -10.137 1.00 70.14 N ATOM 716 CA GLY A 46 13.369 -19.150 -9.051 1.00 14.02 C ATOM 717 C GLY A 46 14.040 -19.787 -7.850 1.00 42.42 C ATOM 718 O GLY A 46 13.369 -20.235 -6.921 1.00 23.15 O ATOM 0 H GLY A 46 14.484 -17.912 -10.321 1.00 70.14 H new ATOM 0 HA2 GLY A 46 12.905 -18.211 -8.748 1.00 14.02 H new ATOM 0 HA3 GLY A 46 12.569 -19.801 -9.404 1.00 14.02 H new ATOM 722 N ASP A 47 15.368 -19.828 -7.870 1.00 52.00 N ATOM 723 CA ASP A 47 16.131 -20.415 -6.775 1.00 31.22 C ATOM 724 C ASP A 47 17.318 -19.532 -6.405 1.00 0.44 C ATOM 725 O ASP A 47 18.463 -19.985 -6.391 1.00 61.52 O ATOM 726 CB ASP A 47 16.619 -21.813 -7.157 1.00 64.24 C ATOM 727 CG ASP A 47 17.005 -22.643 -5.948 1.00 44.45 C ATOM 728 OD1 ASP A 47 16.103 -23.005 -5.165 1.00 21.33 O ATOM 729 OD2 ASP A 47 18.210 -22.930 -5.787 1.00 13.44 O ATOM 0 H ASP A 47 15.938 -19.462 -8.632 1.00 52.00 H new ATOM 0 HA ASP A 47 15.475 -20.492 -5.908 1.00 31.22 H new ATOM 0 HB2 ASP A 47 15.836 -22.329 -7.713 1.00 64.24 H new ATOM 0 HB3 ASP A 47 17.478 -21.725 -7.823 1.00 64.24 H new ATOM 734 N LEU A 48 17.038 -18.268 -6.106 1.00 12.03 N ATOM 735 CA LEU A 48 18.083 -17.319 -5.736 1.00 73.42 C ATOM 736 C LEU A 48 18.060 -17.041 -4.237 1.00 13.23 C ATOM 737 O LEU A 48 19.104 -17.010 -3.584 1.00 31.01 O ATOM 738 CB LEU A 48 17.910 -16.012 -6.512 1.00 30.40 C ATOM 739 CG LEU A 48 17.877 -16.136 -8.036 1.00 3.42 C ATOM 740 CD1 LEU A 48 16.462 -16.411 -8.519 1.00 31.12 C ATOM 741 CD2 LEU A 48 18.428 -14.874 -8.685 1.00 23.33 C ATOM 0 H LEU A 48 16.096 -17.876 -6.112 1.00 12.03 H new ATOM 0 HA LEU A 48 19.047 -17.760 -5.990 1.00 73.42 H new ATOM 0 HB2 LEU A 48 16.984 -15.539 -6.186 1.00 30.40 H new ATOM 0 HB3 LEU A 48 18.724 -15.340 -6.240 1.00 30.40 H new ATOM 0 HG LEU A 48 18.508 -16.976 -8.327 1.00 3.42 H new ATOM 0 HD11 LEU A 48 16.459 -16.496 -9.606 1.00 31.12 H new ATOM 0 HD12 LEU A 48 16.103 -17.342 -8.081 1.00 31.12 H new ATOM 0 HD13 LEU A 48 15.809 -15.592 -8.217 1.00 31.12 H new ATOM 0 HD21 LEU A 48 18.397 -14.979 -9.769 1.00 23.33 H new ATOM 0 HD22 LEU A 48 17.824 -14.018 -8.386 1.00 23.33 H new ATOM 0 HD23 LEU A 48 19.458 -14.720 -8.365 1.00 23.33 H new ATOM 753 N LEU A 49 16.863 -16.840 -3.696 1.00 20.51 N ATOM 754 CA LEU A 49 16.703 -16.567 -2.272 1.00 1.21 C ATOM 755 C LEU A 49 15.324 -17.002 -1.785 1.00 45.43 C ATOM 756 O LEU A 49 14.369 -17.047 -2.559 1.00 70.12 O ATOM 757 CB LEU A 49 16.909 -15.077 -1.993 1.00 14.14 C ATOM 758 CG LEU A 49 18.357 -14.621 -1.814 1.00 21.04 C ATOM 759 CD1 LEU A 49 18.938 -14.155 -3.140 1.00 31.32 C ATOM 760 CD2 LEU A 49 18.443 -13.514 -0.773 1.00 41.34 C ATOM 0 H LEU A 49 15.989 -16.861 -4.222 1.00 20.51 H new ATOM 0 HA LEU A 49 17.456 -17.140 -1.730 1.00 1.21 H new ATOM 0 HB2 LEU A 49 16.470 -14.510 -2.814 1.00 14.14 H new ATOM 0 HB3 LEU A 49 16.353 -14.816 -1.092 1.00 14.14 H new ATOM 0 HG LEU A 49 18.944 -15.469 -1.462 1.00 21.04 H new ATOM 0 HD11 LEU A 49 19.969 -13.834 -2.993 1.00 31.32 H new ATOM 0 HD12 LEU A 49 18.912 -14.976 -3.857 1.00 31.32 H new ATOM 0 HD13 LEU A 49 18.350 -13.321 -3.522 1.00 31.32 H new ATOM 0 HD21 LEU A 49 19.481 -13.202 -0.659 1.00 41.34 H new ATOM 0 HD22 LEU A 49 17.842 -12.664 -1.095 1.00 41.34 H new ATOM 0 HD23 LEU A 49 18.068 -13.882 0.182 1.00 41.34 H new ATOM 772 N GLU A 50 15.230 -17.318 -0.498 1.00 33.24 N ATOM 773 CA GLU A 50 13.967 -17.748 0.092 1.00 50.22 C ATOM 774 C GLU A 50 13.781 -17.142 1.480 1.00 75.01 C ATOM 775 O GLU A 50 14.745 -16.947 2.219 1.00 4.21 O ATOM 776 CB GLU A 50 13.912 -19.274 0.178 1.00 60.51 C ATOM 777 CG GLU A 50 13.235 -19.928 -1.016 1.00 5.54 C ATOM 778 CD GLU A 50 13.506 -21.417 -1.097 1.00 21.35 C ATOM 779 OE1 GLU A 50 13.876 -22.011 -0.062 1.00 50.21 O ATOM 780 OE2 GLU A 50 13.347 -21.990 -2.195 1.00 44.43 O ATOM 0 H GLU A 50 16.012 -17.285 0.156 1.00 33.24 H new ATOM 0 HA GLU A 50 13.158 -17.398 -0.550 1.00 50.22 H new ATOM 0 HB2 GLU A 50 14.927 -19.661 0.266 1.00 60.51 H new ATOM 0 HB3 GLU A 50 13.382 -19.559 1.087 1.00 60.51 H new ATOM 0 HG2 GLU A 50 12.160 -19.761 -0.955 1.00 5.54 H new ATOM 0 HG3 GLU A 50 13.581 -19.449 -1.932 1.00 5.54 H new ATOM 787 N VAL A 51 12.532 -16.846 1.827 1.00 30.02 N ATOM 788 CA VAL A 51 12.218 -16.263 3.126 1.00 35.00 C ATOM 789 C VAL A 51 11.822 -17.340 4.130 1.00 10.44 C ATOM 790 O VAL A 51 11.173 -18.323 3.778 1.00 73.23 O ATOM 791 CB VAL A 51 11.077 -15.233 3.018 1.00 61.42 C ATOM 792 CG1 VAL A 51 9.863 -15.850 2.340 1.00 63.24 C ATOM 793 CG2 VAL A 51 10.713 -14.695 4.393 1.00 24.34 C ATOM 0 H VAL A 51 11.722 -17.000 1.227 1.00 30.02 H new ATOM 0 HA VAL A 51 13.120 -15.760 3.474 1.00 35.00 H new ATOM 0 HB VAL A 51 11.421 -14.399 2.406 1.00 61.42 H new ATOM 0 HG11 VAL A 51 9.068 -15.108 2.273 1.00 63.24 H new ATOM 0 HG12 VAL A 51 10.135 -16.182 1.338 1.00 63.24 H new ATOM 0 HG13 VAL A 51 9.515 -16.703 2.923 1.00 63.24 H new ATOM 0 HG21 VAL A 51 9.906 -13.969 4.298 1.00 24.34 H new ATOM 0 HG22 VAL A 51 10.388 -15.517 5.031 1.00 24.34 H new ATOM 0 HG23 VAL A 51 11.584 -14.213 4.837 1.00 24.34 H new ATOM 803 N ASN A 52 12.218 -17.146 5.384 1.00 12.52 N ATOM 804 CA ASN A 52 11.904 -18.100 6.441 1.00 24.41 C ATOM 805 C ASN A 52 10.743 -17.603 7.296 1.00 34.51 C ATOM 806 O ASN A 52 10.854 -16.589 7.986 1.00 62.02 O ATOM 807 CB ASN A 52 13.133 -18.341 7.321 1.00 41.14 C ATOM 808 CG ASN A 52 12.866 -19.345 8.425 1.00 12.13 C ATOM 809 OD1 ASN A 52 11.797 -19.953 8.481 1.00 13.24 O ATOM 810 ND2 ASN A 52 13.839 -19.523 9.311 1.00 41.10 N ATOM 0 H ASN A 52 12.757 -16.337 5.693 1.00 12.52 H new ATOM 0 HA ASN A 52 11.611 -19.039 5.972 1.00 24.41 H new ATOM 0 HB2 ASN A 52 13.956 -18.697 6.701 1.00 41.14 H new ATOM 0 HB3 ASN A 52 13.452 -17.396 7.762 1.00 41.14 H new ATOM 0 HD21 ASN A 52 13.716 -20.186 10.077 1.00 41.10 H new ATOM 0 HD22 ASN A 52 14.709 -18.997 9.226 1.00 41.10 H new ATOM 817 N LEU A 53 9.628 -18.325 7.246 1.00 1.35 N ATOM 818 CA LEU A 53 8.445 -17.958 8.017 1.00 73.40 C ATOM 819 C LEU A 53 8.743 -17.972 9.513 1.00 70.52 C ATOM 820 O LEU A 53 7.987 -17.418 10.311 1.00 64.44 O ATOM 821 CB LEU A 53 7.293 -18.916 7.706 1.00 51.31 C ATOM 822 CG LEU A 53 6.395 -18.526 6.531 1.00 63.41 C ATOM 823 CD1 LEU A 53 6.348 -19.645 5.502 1.00 35.30 C ATOM 824 CD2 LEU A 53 4.994 -18.188 7.019 1.00 22.32 C ATOM 0 H LEU A 53 9.519 -19.167 6.680 1.00 1.35 H new ATOM 0 HA LEU A 53 8.156 -16.946 7.733 1.00 73.40 H new ATOM 0 HB2 LEU A 53 7.711 -19.903 7.506 1.00 51.31 H new ATOM 0 HB3 LEU A 53 6.672 -19.008 8.597 1.00 51.31 H new ATOM 0 HG LEU A 53 6.815 -17.640 6.055 1.00 63.41 H new ATOM 0 HD11 LEU A 53 5.705 -19.350 4.673 1.00 35.30 H new ATOM 0 HD12 LEU A 53 7.354 -19.839 5.129 1.00 35.30 H new ATOM 0 HD13 LEU A 53 5.952 -20.549 5.965 1.00 35.30 H new ATOM 0 HD21 LEU A 53 4.369 -17.913 6.169 1.00 22.32 H new ATOM 0 HD22 LEU A 53 4.564 -19.055 7.520 1.00 22.32 H new ATOM 0 HD23 LEU A 53 5.044 -17.353 7.718 1.00 22.32 H new ATOM 836 N GLN A 54 9.850 -18.608 9.884 1.00 12.33 N ATOM 837 CA GLN A 54 10.248 -18.692 11.284 1.00 2.04 C ATOM 838 C GLN A 54 10.259 -17.311 11.931 1.00 2.13 C ATOM 839 O GLN A 54 9.692 -17.113 13.005 1.00 25.51 O ATOM 840 CB GLN A 54 11.630 -19.336 11.405 1.00 4.13 C ATOM 841 CG GLN A 54 11.982 -19.761 12.822 1.00 73.01 C ATOM 842 CD GLN A 54 12.654 -21.119 12.874 1.00 14.01 C ATOM 843 OE1 GLN A 54 11.991 -22.147 13.014 1.00 71.44 O ATOM 844 NE2 GLN A 54 13.977 -21.130 12.762 1.00 53.22 N ATOM 0 H GLN A 54 10.486 -19.072 9.235 1.00 12.33 H new ATOM 0 HA GLN A 54 9.519 -19.312 11.806 1.00 2.04 H new ATOM 0 HB2 GLN A 54 11.674 -20.208 10.752 1.00 4.13 H new ATOM 0 HB3 GLN A 54 12.382 -18.632 11.048 1.00 4.13 H new ATOM 0 HG2 GLN A 54 12.642 -19.016 13.267 1.00 73.01 H new ATOM 0 HG3 GLN A 54 11.075 -19.785 13.426 1.00 73.01 H new ATOM 0 HE21 GLN A 54 14.486 -20.254 12.647 1.00 53.22 H new ATOM 0 HE22 GLN A 54 14.484 -22.015 12.791 1.00 53.22 H new ATOM 853 N ASN A 55 10.909 -16.358 11.270 1.00 34.30 N ATOM 854 CA ASN A 55 10.994 -14.995 11.782 1.00 62.25 C ATOM 855 C ASN A 55 10.923 -13.982 10.644 1.00 54.45 C ATOM 856 O ASN A 55 11.381 -12.848 10.778 1.00 21.00 O ATOM 857 CB ASN A 55 12.292 -14.804 12.569 1.00 64.25 C ATOM 858 CG ASN A 55 12.042 -14.366 13.999 1.00 43.34 C ATOM 859 OD1 ASN A 55 11.280 -14.999 14.729 1.00 1.54 O ATOM 860 ND2 ASN A 55 12.685 -13.277 14.404 1.00 0.32 N ATOM 0 H ASN A 55 11.384 -16.505 10.379 1.00 34.30 H new ATOM 0 HA ASN A 55 10.146 -14.829 12.447 1.00 62.25 H new ATOM 0 HB2 ASN A 55 12.853 -15.738 12.571 1.00 64.25 H new ATOM 0 HB3 ASN A 55 12.912 -14.061 12.067 1.00 64.25 H new ATOM 0 HD21 ASN A 55 12.557 -12.933 15.356 1.00 0.32 H new ATOM 0 HD22 ASN A 55 13.307 -12.784 13.763 1.00 0.32 H new ATOM 867 N GLY A 56 10.343 -14.399 9.522 1.00 13.00 N ATOM 868 CA GLY A 56 10.221 -13.516 8.377 1.00 40.12 C ATOM 869 C GLY A 56 11.559 -12.964 7.926 1.00 53.05 C ATOM 870 O GLY A 56 11.641 -11.832 7.448 1.00 2.11 O ATOM 0 H GLY A 56 9.956 -15.333 9.386 1.00 13.00 H new ATOM 0 HA2 GLY A 56 9.758 -14.058 7.552 1.00 40.12 H new ATOM 0 HA3 GLY A 56 9.556 -12.689 8.629 1.00 40.12 H new ATOM 874 N ILE A 57 12.609 -13.764 8.078 1.00 53.30 N ATOM 875 CA ILE A 57 13.949 -13.348 7.683 1.00 53.01 C ATOM 876 C ILE A 57 14.302 -13.877 6.297 1.00 24.22 C ATOM 877 O ILE A 57 13.860 -14.956 5.901 1.00 22.52 O ATOM 878 CB ILE A 57 15.008 -13.832 8.691 1.00 42.44 C ATOM 879 CG1 ILE A 57 16.376 -13.237 8.350 1.00 3.24 C ATOM 880 CG2 ILE A 57 15.074 -15.352 8.702 1.00 55.41 C ATOM 881 CD1 ILE A 57 16.382 -11.725 8.300 1.00 40.04 C ATOM 0 H ILE A 57 12.558 -14.704 8.472 1.00 53.30 H new ATOM 0 HA ILE A 57 13.949 -12.258 7.664 1.00 53.01 H new ATOM 0 HB ILE A 57 14.722 -13.493 9.687 1.00 42.44 H new ATOM 0 HG12 ILE A 57 17.103 -13.571 9.090 1.00 3.24 H new ATOM 0 HG13 ILE A 57 16.702 -13.626 7.385 1.00 3.24 H new ATOM 0 HG21 ILE A 57 15.827 -15.678 9.419 1.00 55.41 H new ATOM 0 HG22 ILE A 57 14.103 -15.756 8.986 1.00 55.41 H new ATOM 0 HG23 ILE A 57 15.340 -15.712 7.708 1.00 55.41 H new ATOM 0 HD11 ILE A 57 17.384 -11.373 8.053 1.00 40.04 H new ATOM 0 HD12 ILE A 57 15.680 -11.383 7.540 1.00 40.04 H new ATOM 0 HD13 ILE A 57 16.087 -11.328 9.271 1.00 40.04 H new ATOM 893 N LEU A 58 15.103 -13.112 5.564 1.00 5.35 N ATOM 894 CA LEU A 58 15.519 -13.504 4.222 1.00 3.13 C ATOM 895 C LEU A 58 16.899 -14.154 4.248 1.00 73.42 C ATOM 896 O LEU A 58 17.879 -13.540 4.669 1.00 12.13 O ATOM 897 CB LEU A 58 15.534 -12.287 3.296 1.00 51.14 C ATOM 898 CG LEU A 58 14.990 -12.511 1.884 1.00 32.43 C ATOM 899 CD1 LEU A 58 15.872 -13.487 1.121 1.00 31.31 C ATOM 900 CD2 LEU A 58 13.556 -13.017 1.940 1.00 74.12 C ATOM 0 H LEU A 58 15.478 -12.216 5.876 1.00 5.35 H new ATOM 0 HA LEU A 58 14.801 -14.232 3.844 1.00 3.13 H new ATOM 0 HB2 LEU A 58 14.955 -11.492 3.765 1.00 51.14 H new ATOM 0 HB3 LEU A 58 16.560 -11.929 3.216 1.00 51.14 H new ATOM 0 HG LEU A 58 14.998 -11.557 1.356 1.00 32.43 H new ATOM 0 HD11 LEU A 58 15.470 -13.634 0.119 1.00 31.31 H new ATOM 0 HD12 LEU A 58 16.883 -13.085 1.051 1.00 31.31 H new ATOM 0 HD13 LEU A 58 15.897 -14.442 1.646 1.00 31.31 H new ATOM 0 HD21 LEU A 58 13.185 -13.171 0.927 1.00 74.12 H new ATOM 0 HD22 LEU A 58 13.524 -13.960 2.485 1.00 74.12 H new ATOM 0 HD23 LEU A 58 12.931 -12.283 2.448 1.00 74.12 H new ATOM 912 N PHE A 59 16.968 -15.401 3.792 1.00 11.21 N ATOM 913 CA PHE A 59 18.228 -16.135 3.761 1.00 14.34 C ATOM 914 C PHE A 59 18.661 -16.412 2.325 1.00 51.43 C ATOM 915 O PHE A 59 17.828 -16.606 1.439 1.00 14.54 O ATOM 916 CB PHE A 59 18.094 -17.452 4.528 1.00 12.15 C ATOM 917 CG PHE A 59 16.957 -18.310 4.052 1.00 32.03 C ATOM 918 CD1 PHE A 59 17.128 -19.182 2.989 1.00 32.45 C ATOM 919 CD2 PHE A 59 15.717 -18.245 4.668 1.00 42.22 C ATOM 920 CE1 PHE A 59 16.083 -19.972 2.549 1.00 71.51 C ATOM 921 CE2 PHE A 59 14.669 -19.033 4.232 1.00 54.11 C ATOM 922 CZ PHE A 59 14.852 -19.899 3.172 1.00 42.43 C ATOM 0 H PHE A 59 16.166 -15.924 3.439 1.00 11.21 H new ATOM 0 HA PHE A 59 18.990 -15.520 4.239 1.00 14.34 H new ATOM 0 HB2 PHE A 59 19.024 -18.012 4.437 1.00 12.15 H new ATOM 0 HB3 PHE A 59 17.956 -17.234 5.587 1.00 12.15 H new ATOM 0 HD1 PHE A 59 18.088 -19.245 2.499 1.00 32.45 H new ATOM 0 HD2 PHE A 59 15.568 -17.571 5.498 1.00 42.22 H new ATOM 0 HE1 PHE A 59 16.229 -20.646 1.718 1.00 71.51 H new ATOM 0 HE2 PHE A 59 13.707 -18.972 4.720 1.00 54.11 H new ATOM 0 HZ PHE A 59 14.035 -20.518 2.831 1.00 42.43 H new ATOM 932 N VAL A 60 19.971 -16.428 2.101 1.00 41.23 N ATOM 933 CA VAL A 60 20.516 -16.681 0.773 1.00 65.25 C ATOM 934 C VAL A 60 20.158 -18.082 0.289 1.00 11.03 C ATOM 935 O VAL A 60 20.070 -19.019 1.081 1.00 23.23 O ATOM 936 CB VAL A 60 22.048 -16.520 0.755 1.00 62.33 C ATOM 937 CG1 VAL A 60 22.589 -16.710 -0.654 1.00 71.52 C ATOM 938 CG2 VAL A 60 22.447 -15.161 1.309 1.00 42.01 C ATOM 0 H VAL A 60 20.674 -16.269 2.822 1.00 41.23 H new ATOM 0 HA VAL A 60 20.072 -15.944 0.104 1.00 65.25 H new ATOM 0 HB VAL A 60 22.484 -17.289 1.392 1.00 62.33 H new ATOM 0 HG11 VAL A 60 23.673 -16.593 -0.647 1.00 71.52 H new ATOM 0 HG12 VAL A 60 22.335 -17.708 -1.010 1.00 71.52 H new ATOM 0 HG13 VAL A 60 22.148 -15.965 -1.317 1.00 71.52 H new ATOM 0 HG21 VAL A 60 23.533 -15.064 1.289 1.00 42.01 H new ATOM 0 HG22 VAL A 60 22.001 -14.375 0.700 1.00 42.01 H new ATOM 0 HG23 VAL A 60 22.094 -15.069 2.336 1.00 42.01 H new ATOM 948 N ASN A 61 19.952 -18.217 -1.017 1.00 11.32 N ATOM 949 CA ASN A 61 19.603 -19.504 -1.607 1.00 14.13 C ATOM 950 C ASN A 61 20.144 -19.616 -3.029 1.00 1.53 C ATOM 951 O ASN A 61 19.397 -19.888 -3.969 1.00 4.24 O ATOM 952 CB ASN A 61 18.084 -19.691 -1.611 1.00 61.21 C ATOM 953 CG ASN A 61 17.682 -21.150 -1.708 1.00 32.24 C ATOM 954 OD1 ASN A 61 17.272 -21.624 -2.767 1.00 41.15 O ATOM 955 ND2 ASN A 61 17.797 -21.870 -0.598 1.00 20.23 N ATOM 0 H ASN A 61 20.021 -17.451 -1.687 1.00 11.32 H new ATOM 0 HA ASN A 61 20.058 -20.288 -1.002 1.00 14.13 H new ATOM 0 HB2 ASN A 61 17.665 -19.261 -0.701 1.00 61.21 H new ATOM 0 HB3 ASN A 61 17.655 -19.142 -2.449 1.00 61.21 H new ATOM 0 HD21 ASN A 61 17.541 -22.857 -0.602 1.00 20.23 H new ATOM 0 HD22 ASN A 61 18.142 -21.436 0.258 1.00 20.23 H new ATOM 962 N SER A 62 21.448 -19.404 -3.178 1.00 12.20 N ATOM 963 CA SER A 62 22.089 -19.477 -4.485 1.00 64.44 C ATOM 964 C SER A 62 23.592 -19.243 -4.367 1.00 23.20 C ATOM 965 O SER A 62 24.129 -19.131 -3.265 1.00 22.43 O ATOM 966 CB SER A 62 21.475 -18.449 -5.437 1.00 71.11 C ATOM 967 OG SER A 62 20.888 -19.081 -6.561 1.00 61.43 O ATOM 0 H SER A 62 22.081 -19.180 -2.410 1.00 12.20 H new ATOM 0 HA SER A 62 21.925 -20.477 -4.887 1.00 64.44 H new ATOM 0 HB2 SER A 62 20.721 -17.865 -4.909 1.00 71.11 H new ATOM 0 HB3 SER A 62 22.244 -17.751 -5.769 1.00 71.11 H new ATOM 0 HG SER A 62 20.117 -19.613 -6.272 1.00 61.43 H new ATOM 973 N ARG A 63 24.265 -19.170 -5.511 1.00 23.04 N ATOM 974 CA ARG A 63 25.706 -18.951 -5.536 1.00 43.54 C ATOM 975 C ARG A 63 26.030 -17.460 -5.510 1.00 13.52 C ATOM 976 O ARG A 63 25.730 -16.733 -6.457 1.00 40.54 O ATOM 977 CB ARG A 63 26.320 -19.594 -6.781 1.00 75.14 C ATOM 978 CG ARG A 63 26.992 -20.930 -6.508 1.00 41.52 C ATOM 979 CD ARG A 63 25.981 -21.990 -6.101 1.00 53.35 C ATOM 980 NE ARG A 63 25.724 -22.942 -7.178 1.00 74.51 N ATOM 981 CZ ARG A 63 24.887 -23.968 -7.067 1.00 72.24 C ATOM 982 NH1 ARG A 63 24.230 -24.173 -5.934 1.00 55.42 N ATOM 983 NH2 ARG A 63 24.706 -24.792 -8.092 1.00 12.11 N ATOM 0 H ARG A 63 23.836 -19.259 -6.432 1.00 23.04 H new ATOM 0 HA ARG A 63 26.133 -19.415 -4.647 1.00 43.54 H new ATOM 0 HB2 ARG A 63 25.540 -19.735 -7.529 1.00 75.14 H new ATOM 0 HB3 ARG A 63 27.052 -18.910 -7.210 1.00 75.14 H new ATOM 0 HG2 ARG A 63 27.526 -21.259 -7.400 1.00 41.52 H new ATOM 0 HG3 ARG A 63 27.733 -20.811 -5.718 1.00 41.52 H new ATOM 0 HD2 ARG A 63 26.348 -22.524 -5.225 1.00 53.35 H new ATOM 0 HD3 ARG A 63 25.047 -21.508 -5.812 1.00 53.35 H new ATOM 0 HE ARG A 63 26.213 -22.812 -8.063 1.00 74.51 H new ATOM 0 HH11 ARG A 63 24.366 -23.542 -5.144 1.00 55.42 H new ATOM 0 HH12 ARG A 63 23.588 -24.962 -5.852 1.00 55.42 H new ATOM 0 HH21 ARG A 63 25.210 -24.638 -8.965 1.00 12.11 H new ATOM 0 HH22 ARG A 63 24.063 -25.579 -8.006 1.00 12.11 H new ATOM 997 N ILE A 64 26.642 -17.012 -4.419 1.00 11.41 N ATOM 998 CA ILE A 64 27.006 -15.608 -4.270 1.00 20.13 C ATOM 999 C ILE A 64 28.514 -15.416 -4.391 1.00 51.51 C ATOM 1000 O ILE A 64 28.991 -14.308 -4.638 1.00 54.32 O ATOM 1001 CB ILE A 64 26.535 -15.045 -2.916 1.00 23.23 C ATOM 1002 CG1 ILE A 64 25.087 -15.457 -2.643 1.00 62.30 C ATOM 1003 CG2 ILE A 64 26.673 -13.530 -2.895 1.00 65.20 C ATOM 1004 CD1 ILE A 64 24.116 -14.990 -3.704 1.00 51.13 C ATOM 0 H ILE A 64 26.896 -17.600 -3.626 1.00 11.41 H new ATOM 0 HA ILE A 64 26.507 -15.065 -5.073 1.00 20.13 H new ATOM 0 HB ILE A 64 27.165 -15.459 -2.129 1.00 23.23 H new ATOM 0 HG12 ILE A 64 25.035 -16.543 -2.567 1.00 62.30 H new ATOM 0 HG13 ILE A 64 24.779 -15.055 -1.678 1.00 62.30 H new ATOM 0 HG21 ILE A 64 26.336 -13.147 -1.932 1.00 65.20 H new ATOM 0 HG22 ILE A 64 27.717 -13.258 -3.049 1.00 65.20 H new ATOM 0 HG23 ILE A 64 26.065 -13.098 -3.690 1.00 65.20 H new ATOM 0 HD11 ILE A 64 23.109 -15.318 -3.445 1.00 51.13 H new ATOM 0 HD12 ILE A 64 24.139 -13.902 -3.765 1.00 51.13 H new ATOM 0 HD13 ILE A 64 24.399 -15.413 -4.668 1.00 51.13 H new ATOM 1016 N ASP A 65 29.259 -16.501 -4.218 1.00 21.45 N ATOM 1017 CA ASP A 65 30.714 -16.453 -4.311 1.00 33.34 C ATOM 1018 C ASP A 65 31.154 -15.668 -5.542 1.00 53.20 C ATOM 1019 O ASP A 65 30.641 -15.880 -6.641 1.00 45.53 O ATOM 1020 CB ASP A 65 31.290 -17.869 -4.361 1.00 31.22 C ATOM 1021 CG ASP A 65 30.735 -18.679 -5.516 1.00 22.41 C ATOM 1022 OD1 ASP A 65 29.495 -18.783 -5.627 1.00 44.22 O ATOM 1023 OD2 ASP A 65 31.541 -19.209 -6.309 1.00 72.32 O ATOM 0 H ASP A 65 28.880 -17.425 -4.012 1.00 21.45 H new ATOM 0 HA ASP A 65 31.094 -15.946 -3.424 1.00 33.34 H new ATOM 0 HB2 ASP A 65 32.375 -17.814 -4.448 1.00 31.22 H new ATOM 0 HB3 ASP A 65 31.071 -18.381 -3.424 1.00 31.22 H new ATOM 1028 N ARG A 66 32.105 -14.760 -5.350 1.00 1.14 N ATOM 1029 CA ARG A 66 32.612 -13.941 -6.444 1.00 63.10 C ATOM 1030 C ARG A 66 33.032 -14.811 -7.625 1.00 21.40 C ATOM 1031 O ARG A 66 33.067 -14.351 -8.765 1.00 60.05 O ATOM 1032 CB ARG A 66 33.798 -13.098 -5.971 1.00 51.23 C ATOM 1033 CG ARG A 66 34.766 -13.855 -5.077 1.00 34.13 C ATOM 1034 CD ARG A 66 34.630 -13.430 -3.623 1.00 55.20 C ATOM 1035 NE ARG A 66 35.912 -13.447 -2.925 1.00 64.03 N ATOM 1036 CZ ARG A 66 36.030 -13.410 -1.603 1.00 2.13 C ATOM 1037 NH1 ARG A 66 34.948 -13.354 -0.839 1.00 30.22 N ATOM 1038 NH2 ARG A 66 37.233 -13.429 -1.042 1.00 15.13 N ATOM 0 H ARG A 66 32.540 -14.573 -4.447 1.00 1.14 H new ATOM 0 HA ARG A 66 31.810 -13.278 -6.770 1.00 63.10 H new ATOM 0 HB2 ARG A 66 34.337 -12.724 -6.841 1.00 51.23 H new ATOM 0 HB3 ARG A 66 33.422 -12.229 -5.431 1.00 51.23 H new ATOM 0 HG2 ARG A 66 34.581 -14.926 -5.163 1.00 34.13 H new ATOM 0 HG3 ARG A 66 35.788 -13.680 -5.414 1.00 34.13 H new ATOM 0 HD2 ARG A 66 34.206 -12.427 -3.577 1.00 55.20 H new ATOM 0 HD3 ARG A 66 33.932 -14.095 -3.115 1.00 55.20 H new ATOM 0 HE ARG A 66 36.764 -13.490 -3.484 1.00 64.03 H new ATOM 0 HH11 ARG A 66 34.022 -13.339 -1.267 1.00 30.22 H new ATOM 0 HH12 ARG A 66 35.042 -13.326 0.176 1.00 30.22 H new ATOM 0 HH21 ARG A 66 38.068 -13.472 -1.627 1.00 15.13 H new ATOM 0 HH22 ARG A 66 37.323 -13.401 -0.026 1.00 15.13 H new ATOM 1052 N GLU A 67 33.350 -16.071 -7.342 1.00 0.22 N ATOM 1053 CA GLU A 67 33.769 -17.004 -8.381 1.00 32.31 C ATOM 1054 C GLU A 67 32.595 -17.378 -9.282 1.00 21.14 C ATOM 1055 O GLU A 67 32.669 -17.243 -10.502 1.00 43.13 O ATOM 1056 CB GLU A 67 34.366 -18.266 -7.754 1.00 5.53 C ATOM 1057 CG GLU A 67 35.674 -18.019 -7.020 1.00 62.52 C ATOM 1058 CD GLU A 67 35.546 -18.205 -5.521 1.00 31.13 C ATOM 1059 OE1 GLU A 67 35.036 -19.262 -5.095 1.00 24.44 O ATOM 1060 OE2 GLU A 67 35.956 -17.292 -4.773 1.00 73.14 O ATOM 0 H GLU A 67 33.325 -16.468 -6.403 1.00 0.22 H new ATOM 0 HA GLU A 67 34.530 -16.514 -8.988 1.00 32.31 H new ATOM 0 HB2 GLU A 67 33.644 -18.693 -7.058 1.00 5.53 H new ATOM 0 HB3 GLU A 67 34.532 -19.007 -8.536 1.00 5.53 H new ATOM 0 HG2 GLU A 67 36.435 -18.699 -7.403 1.00 62.52 H new ATOM 0 HG3 GLU A 67 36.018 -17.006 -7.229 1.00 62.52 H new ATOM 1067 N GLU A 68 31.513 -17.849 -8.669 1.00 63.42 N ATOM 1068 CA GLU A 68 30.325 -18.244 -9.416 1.00 33.22 C ATOM 1069 C GLU A 68 29.464 -17.030 -9.750 1.00 54.50 C ATOM 1070 O GLU A 68 29.142 -16.784 -10.913 1.00 54.52 O ATOM 1071 CB GLU A 68 29.506 -19.259 -8.615 1.00 12.31 C ATOM 1072 CG GLU A 68 28.552 -20.079 -9.467 1.00 14.04 C ATOM 1073 CD GLU A 68 28.988 -21.525 -9.604 1.00 14.25 C ATOM 1074 OE1 GLU A 68 30.179 -21.759 -9.895 1.00 61.43 O ATOM 1075 OE2 GLU A 68 28.138 -22.421 -9.419 1.00 62.33 O ATOM 0 H GLU A 68 31.435 -17.966 -7.659 1.00 63.42 H new ATOM 0 HA GLU A 68 30.650 -18.705 -10.349 1.00 33.22 H new ATOM 0 HB2 GLU A 68 30.187 -19.933 -8.095 1.00 12.31 H new ATOM 0 HB3 GLU A 68 28.935 -18.731 -7.851 1.00 12.31 H new ATOM 0 HG2 GLU A 68 27.556 -20.044 -9.026 1.00 14.04 H new ATOM 0 HG3 GLU A 68 28.478 -19.630 -10.458 1.00 14.04 H new ATOM 1082 N LEU A 69 29.094 -16.273 -8.722 1.00 74.53 N ATOM 1083 CA LEU A 69 28.269 -15.084 -8.905 1.00 41.03 C ATOM 1084 C LEU A 69 28.785 -14.237 -10.064 1.00 41.20 C ATOM 1085 O LEU A 69 28.187 -14.207 -11.140 1.00 61.21 O ATOM 1086 CB LEU A 69 28.246 -14.253 -7.621 1.00 43.34 C ATOM 1087 CG LEU A 69 27.123 -13.222 -7.509 1.00 54.10 C ATOM 1088 CD1 LEU A 69 25.772 -13.914 -7.407 1.00 0.52 C ATOM 1089 CD2 LEU A 69 27.351 -12.313 -6.310 1.00 55.00 C ATOM 0 H LEU A 69 29.352 -16.462 -7.754 1.00 74.53 H new ATOM 0 HA LEU A 69 27.255 -15.407 -9.139 1.00 41.03 H new ATOM 0 HB2 LEU A 69 28.173 -14.934 -6.773 1.00 43.34 H new ATOM 0 HB3 LEU A 69 29.200 -13.733 -7.531 1.00 43.34 H new ATOM 0 HG LEU A 69 27.127 -12.609 -8.410 1.00 54.10 H new ATOM 0 HD11 LEU A 69 24.984 -13.165 -7.328 1.00 0.52 H new ATOM 0 HD12 LEU A 69 25.607 -14.522 -8.296 1.00 0.52 H new ATOM 0 HD13 LEU A 69 25.756 -14.552 -6.523 1.00 0.52 H new ATOM 0 HD21 LEU A 69 26.542 -11.585 -6.246 1.00 55.00 H new ATOM 0 HD22 LEU A 69 27.374 -12.911 -5.399 1.00 55.00 H new ATOM 0 HD23 LEU A 69 28.301 -11.790 -6.425 1.00 55.00 H new ATOM 1101 N CYS A 70 29.900 -13.550 -9.838 1.00 21.33 N ATOM 1102 CA CYS A 70 30.499 -12.704 -10.862 1.00 53.44 C ATOM 1103 C CYS A 70 31.945 -12.366 -10.513 1.00 23.45 C ATOM 1104 O CYS A 70 32.856 -12.589 -11.309 1.00 51.13 O ATOM 1105 CB CYS A 70 29.689 -11.416 -11.027 1.00 32.10 C ATOM 1106 SG CYS A 70 28.950 -10.800 -9.480 1.00 50.42 S ATOM 0 H CYS A 70 30.407 -13.563 -8.953 1.00 21.33 H new ATOM 0 HA CYS A 70 30.490 -13.255 -11.802 1.00 53.44 H new ATOM 0 HB2 CYS A 70 30.336 -10.643 -11.441 1.00 32.10 H new ATOM 0 HB3 CYS A 70 28.895 -11.589 -11.753 1.00 32.10 H new ATOM 1111 N GLY A 71 32.148 -11.828 -9.314 1.00 4.21 N ATOM 1112 CA GLY A 71 33.486 -11.469 -8.879 1.00 14.30 C ATOM 1113 C GLY A 71 34.019 -10.243 -9.595 1.00 34.51 C ATOM 1114 O GLY A 71 34.041 -9.149 -9.033 1.00 1.55 O ATOM 0 H GLY A 71 31.411 -11.634 -8.636 1.00 4.21 H new ATOM 0 HA2 GLY A 71 33.478 -11.284 -7.805 1.00 14.30 H new ATOM 0 HA3 GLY A 71 34.159 -12.309 -9.053 1.00 14.30 H new ATOM 1118 N ARG A 72 34.450 -10.428 -10.838 1.00 42.43 N ATOM 1119 CA ARG A 72 34.989 -9.329 -11.631 1.00 15.43 C ATOM 1120 C ARG A 72 33.872 -8.405 -12.109 1.00 72.42 C ATOM 1121 O ARG A 72 33.529 -8.391 -13.291 1.00 54.23 O ATOM 1122 CB ARG A 72 35.766 -9.871 -12.831 1.00 43.34 C ATOM 1123 CG ARG A 72 34.980 -10.868 -13.667 1.00 12.42 C ATOM 1124 CD ARG A 72 35.663 -12.226 -13.703 1.00 41.41 C ATOM 1125 NE ARG A 72 34.736 -13.295 -14.064 1.00 64.11 N ATOM 1126 CZ ARG A 72 35.099 -14.565 -14.205 1.00 60.23 C ATOM 1127 NH1 ARG A 72 36.362 -14.922 -14.017 1.00 32.44 N ATOM 1128 NH2 ARG A 72 34.197 -15.481 -14.536 1.00 24.04 N ATOM 0 H ARG A 72 34.437 -11.328 -11.318 1.00 42.43 H new ATOM 0 HA ARG A 72 35.666 -8.755 -10.998 1.00 15.43 H new ATOM 0 HB2 ARG A 72 36.068 -9.037 -13.464 1.00 43.34 H new ATOM 0 HB3 ARG A 72 36.679 -10.348 -12.476 1.00 43.34 H new ATOM 0 HG2 ARG A 72 33.975 -10.976 -13.258 1.00 12.42 H new ATOM 0 HG3 ARG A 72 34.871 -10.487 -14.683 1.00 12.42 H new ATOM 0 HD2 ARG A 72 36.484 -12.200 -14.420 1.00 41.41 H new ATOM 0 HD3 ARG A 72 36.099 -12.439 -12.727 1.00 41.41 H new ATOM 0 HE ARG A 72 33.757 -13.053 -14.216 1.00 64.11 H new ATOM 0 HH11 ARG A 72 37.058 -14.221 -13.763 1.00 32.44 H new ATOM 0 HH12 ARG A 72 36.638 -15.898 -14.126 1.00 32.44 H new ATOM 0 HH21 ARG A 72 33.225 -15.210 -14.682 1.00 24.04 H new ATOM 0 HH22 ARG A 72 34.476 -16.456 -14.644 1.00 24.04 H new ATOM 1142 N SER A 73 33.308 -7.637 -11.183 1.00 5.14 N ATOM 1143 CA SER A 73 32.228 -6.714 -11.509 1.00 14.04 C ATOM 1144 C SER A 73 32.147 -5.588 -10.482 1.00 75.03 C ATOM 1145 O SER A 73 32.088 -5.834 -9.278 1.00 22.20 O ATOM 1146 CB SER A 73 30.893 -7.460 -11.571 1.00 2.41 C ATOM 1147 OG SER A 73 30.722 -8.095 -12.826 1.00 23.32 O ATOM 0 H SER A 73 33.581 -7.636 -10.200 1.00 5.14 H new ATOM 0 HA SER A 73 32.438 -6.277 -12.485 1.00 14.04 H new ATOM 0 HB2 SER A 73 30.851 -8.203 -10.775 1.00 2.41 H new ATOM 0 HB3 SER A 73 30.074 -6.762 -11.399 1.00 2.41 H new ATOM 0 HG SER A 73 31.599 -8.277 -13.223 1.00 23.32 H new ATOM 1153 N ALA A 74 32.143 -4.351 -10.969 1.00 25.40 N ATOM 1154 CA ALA A 74 32.067 -3.187 -10.096 1.00 4.14 C ATOM 1155 C ALA A 74 30.901 -3.307 -9.121 1.00 53.21 C ATOM 1156 O ALA A 74 30.949 -2.774 -8.013 1.00 50.42 O ATOM 1157 CB ALA A 74 31.939 -1.915 -10.921 1.00 64.33 C ATOM 0 H ALA A 74 32.192 -4.130 -11.964 1.00 25.40 H new ATOM 0 HA ALA A 74 32.988 -3.139 -9.516 1.00 4.14 H new ATOM 0 HB1 ALA A 74 31.883 -1.054 -10.255 1.00 64.33 H new ATOM 0 HB2 ALA A 74 32.807 -1.815 -11.572 1.00 64.33 H new ATOM 0 HB3 ALA A 74 31.035 -1.964 -11.527 1.00 64.33 H new ATOM 1163 N GLU A 75 29.854 -4.010 -9.542 1.00 53.51 N ATOM 1164 CA GLU A 75 28.674 -4.197 -8.706 1.00 22.15 C ATOM 1165 C GLU A 75 27.720 -5.212 -9.330 1.00 3.44 C ATOM 1166 O GLU A 75 27.412 -5.141 -10.520 1.00 12.54 O ATOM 1167 CB GLU A 75 27.953 -2.864 -8.496 1.00 52.02 C ATOM 1168 CG GLU A 75 27.345 -2.712 -7.112 1.00 51.41 C ATOM 1169 CD GLU A 75 27.083 -1.264 -6.746 1.00 52.42 C ATOM 1170 OE1 GLU A 75 27.940 -0.409 -7.052 1.00 64.20 O ATOM 1171 OE2 GLU A 75 26.019 -0.985 -6.154 1.00 21.32 O ATOM 0 H GLU A 75 29.799 -4.459 -10.456 1.00 53.51 H new ATOM 0 HA GLU A 75 29.002 -4.580 -7.740 1.00 22.15 H new ATOM 0 HB2 GLU A 75 28.657 -2.049 -8.666 1.00 52.02 H new ATOM 0 HB3 GLU A 75 27.165 -2.765 -9.243 1.00 52.02 H new ATOM 0 HG2 GLU A 75 26.409 -3.269 -7.067 1.00 51.41 H new ATOM 0 HG3 GLU A 75 28.015 -3.154 -6.374 1.00 51.41 H new ATOM 1178 N CYS A 76 27.257 -6.156 -8.518 1.00 33.01 N ATOM 1179 CA CYS A 76 26.339 -7.187 -8.988 1.00 50.54 C ATOM 1180 C CYS A 76 24.956 -7.007 -8.369 1.00 30.32 C ATOM 1181 O CYS A 76 24.814 -6.954 -7.147 1.00 72.43 O ATOM 1182 CB CYS A 76 26.884 -8.576 -8.653 1.00 21.12 C ATOM 1183 SG CYS A 76 27.379 -9.552 -10.109 1.00 73.41 S ATOM 0 H CYS A 76 27.502 -6.229 -7.531 1.00 33.01 H new ATOM 0 HA CYS A 76 26.248 -7.092 -10.070 1.00 50.54 H new ATOM 0 HB2 CYS A 76 27.744 -8.467 -7.992 1.00 21.12 H new ATOM 0 HB3 CYS A 76 26.125 -9.129 -8.100 1.00 21.12 H new ATOM 1188 N SER A 77 23.940 -6.915 -9.220 1.00 54.35 N ATOM 1189 CA SER A 77 22.568 -6.738 -8.758 1.00 2.14 C ATOM 1190 C SER A 77 21.746 -7.999 -9.002 1.00 35.40 C ATOM 1191 O SER A 77 22.032 -8.773 -9.916 1.00 42.12 O ATOM 1192 CB SER A 77 21.919 -5.547 -9.464 1.00 55.24 C ATOM 1193 OG SER A 77 22.851 -4.498 -9.658 1.00 4.32 O ATOM 0 H SER A 77 24.041 -6.960 -10.234 1.00 54.35 H new ATOM 0 HA SER A 77 22.594 -6.544 -7.686 1.00 2.14 H new ATOM 0 HB2 SER A 77 21.519 -5.865 -10.427 1.00 55.24 H new ATOM 0 HB3 SER A 77 21.077 -5.185 -8.873 1.00 55.24 H new ATOM 0 HG SER A 77 22.411 -3.750 -10.113 1.00 4.32 H new ATOM 1199 N ILE A 78 20.722 -8.200 -8.178 1.00 44.52 N ATOM 1200 CA ILE A 78 19.857 -9.366 -8.305 1.00 2.32 C ATOM 1201 C ILE A 78 18.389 -8.980 -8.156 1.00 24.13 C ATOM 1202 O ILE A 78 18.036 -8.152 -7.316 1.00 2.42 O ATOM 1203 CB ILE A 78 20.203 -10.440 -7.257 1.00 2.13 C ATOM 1204 CG1 ILE A 78 21.678 -10.833 -7.365 1.00 71.12 C ATOM 1205 CG2 ILE A 78 19.310 -11.659 -7.433 1.00 0.22 C ATOM 1206 CD1 ILE A 78 22.558 -10.171 -6.328 1.00 34.32 C ATOM 0 H ILE A 78 20.472 -7.570 -7.416 1.00 44.52 H new ATOM 0 HA ILE A 78 20.023 -9.776 -9.301 1.00 2.32 H new ATOM 0 HB ILE A 78 20.029 -10.027 -6.264 1.00 2.13 H new ATOM 0 HG12 ILE A 78 21.765 -11.915 -7.266 1.00 71.12 H new ATOM 0 HG13 ILE A 78 22.043 -10.573 -8.359 1.00 71.12 H new ATOM 0 HG21 ILE A 78 19.567 -12.409 -6.685 1.00 0.22 H new ATOM 0 HG22 ILE A 78 18.267 -11.367 -7.311 1.00 0.22 H new ATOM 0 HG23 ILE A 78 19.455 -12.076 -8.430 1.00 0.22 H new ATOM 0 HD11 ILE A 78 23.589 -10.496 -6.465 1.00 34.32 H new ATOM 0 HD12 ILE A 78 22.501 -9.088 -6.440 1.00 34.32 H new ATOM 0 HD13 ILE A 78 22.219 -10.451 -5.331 1.00 34.32 H new ATOM 1218 N HIS A 79 17.537 -9.588 -8.975 1.00 43.22 N ATOM 1219 CA HIS A 79 16.106 -9.310 -8.933 1.00 40.11 C ATOM 1220 C HIS A 79 15.325 -10.545 -8.494 1.00 64.14 C ATOM 1221 O HIS A 79 15.658 -11.669 -8.873 1.00 33.33 O ATOM 1222 CB HIS A 79 15.615 -8.842 -10.304 1.00 24.33 C ATOM 1223 CG HIS A 79 16.496 -7.808 -10.934 1.00 61.14 C ATOM 1224 ND1 HIS A 79 17.672 -8.116 -11.585 1.00 71.53 N ATOM 1225 CD2 HIS A 79 16.366 -6.463 -11.013 1.00 21.13 C ATOM 1226 CE1 HIS A 79 18.228 -7.006 -12.035 1.00 51.22 C ATOM 1227 NE2 HIS A 79 17.455 -5.988 -11.701 1.00 60.13 N ATOM 0 H HIS A 79 17.813 -10.276 -9.676 1.00 43.22 H new ATOM 0 HA HIS A 79 15.936 -8.517 -8.205 1.00 40.11 H new ATOM 0 HB2 HIS A 79 15.546 -9.703 -10.969 1.00 24.33 H new ATOM 0 HB3 HIS A 79 14.608 -8.436 -10.201 1.00 24.33 H new ATOM 0 HD2 HIS A 79 15.556 -5.873 -10.610 1.00 21.13 H new ATOM 0 HE1 HIS A 79 19.157 -6.941 -12.583 1.00 51.22 H new ATOM 0 HE2 HIS A 79 17.638 -5.008 -11.919 1.00 60.13 H new ATOM 1235 N LEU A 80 14.287 -10.329 -7.694 1.00 62.41 N ATOM 1236 CA LEU A 80 13.459 -11.425 -7.203 1.00 21.41 C ATOM 1237 C LEU A 80 11.994 -11.009 -7.129 1.00 35.55 C ATOM 1238 O LEU A 80 11.680 -9.825 -7.018 1.00 1.22 O ATOM 1239 CB LEU A 80 13.943 -11.878 -5.824 1.00 62.34 C ATOM 1240 CG LEU A 80 13.121 -12.979 -5.152 1.00 41.44 C ATOM 1241 CD1 LEU A 80 14.011 -13.857 -4.287 1.00 63.23 C ATOM 1242 CD2 LEU A 80 11.998 -12.374 -4.323 1.00 13.21 C ATOM 0 H LEU A 80 13.999 -9.405 -7.372 1.00 62.41 H new ATOM 0 HA LEU A 80 13.547 -12.256 -7.903 1.00 21.41 H new ATOM 0 HB2 LEU A 80 14.971 -12.227 -5.919 1.00 62.34 H new ATOM 0 HB3 LEU A 80 13.960 -11.011 -5.164 1.00 62.34 H new ATOM 0 HG LEU A 80 12.678 -13.601 -5.929 1.00 41.44 H new ATOM 0 HD11 LEU A 80 13.409 -14.635 -3.817 1.00 63.23 H new ATOM 0 HD12 LEU A 80 14.780 -14.318 -4.907 1.00 63.23 H new ATOM 0 HD13 LEU A 80 14.484 -13.248 -3.516 1.00 63.23 H new ATOM 0 HD21 LEU A 80 11.423 -13.171 -3.852 1.00 13.21 H new ATOM 0 HD22 LEU A 80 12.421 -11.728 -3.553 1.00 13.21 H new ATOM 0 HD23 LEU A 80 11.344 -11.788 -4.969 1.00 13.21 H new ATOM 1254 N GLU A 81 11.101 -11.993 -7.188 1.00 52.31 N ATOM 1255 CA GLU A 81 9.668 -11.728 -7.126 1.00 2.32 C ATOM 1256 C GLU A 81 9.002 -12.588 -6.056 1.00 73.44 C ATOM 1257 O GLU A 81 8.979 -13.815 -6.156 1.00 73.22 O ATOM 1258 CB GLU A 81 9.019 -11.991 -8.486 1.00 33.20 C ATOM 1259 CG GLU A 81 9.341 -10.935 -9.529 1.00 43.24 C ATOM 1260 CD GLU A 81 8.583 -11.145 -10.826 1.00 2.43 C ATOM 1261 OE1 GLU A 81 7.764 -12.084 -10.889 1.00 74.50 O ATOM 1262 OE2 GLU A 81 8.810 -10.368 -11.777 1.00 51.12 O ATOM 0 H GLU A 81 11.344 -12.979 -7.279 1.00 52.31 H new ATOM 0 HA GLU A 81 9.529 -10.679 -6.863 1.00 2.32 H new ATOM 0 HB2 GLU A 81 9.346 -12.964 -8.853 1.00 33.20 H new ATOM 0 HB3 GLU A 81 7.938 -12.046 -8.359 1.00 33.20 H new ATOM 0 HG2 GLU A 81 9.102 -9.950 -9.129 1.00 43.24 H new ATOM 0 HG3 GLU A 81 10.412 -10.946 -9.733 1.00 43.24 H new ATOM 1269 N VAL A 82 8.461 -11.936 -5.032 1.00 55.15 N ATOM 1270 CA VAL A 82 7.793 -12.640 -3.944 1.00 51.12 C ATOM 1271 C VAL A 82 6.302 -12.795 -4.223 1.00 1.22 C ATOM 1272 O VAL A 82 5.547 -11.824 -4.171 1.00 14.21 O ATOM 1273 CB VAL A 82 7.980 -11.906 -2.603 1.00 32.11 C ATOM 1274 CG1 VAL A 82 7.656 -12.830 -1.439 1.00 32.11 C ATOM 1275 CG2 VAL A 82 9.396 -11.364 -2.486 1.00 2.14 C ATOM 0 H VAL A 82 8.472 -10.921 -4.933 1.00 55.15 H new ATOM 0 HA VAL A 82 8.251 -13.627 -3.877 1.00 51.12 H new ATOM 0 HB VAL A 82 7.289 -11.064 -2.570 1.00 32.11 H new ATOM 0 HG11 VAL A 82 7.794 -12.294 -0.500 1.00 32.11 H new ATOM 0 HG12 VAL A 82 6.622 -13.165 -1.517 1.00 32.11 H new ATOM 0 HG13 VAL A 82 8.320 -13.694 -1.465 1.00 32.11 H new ATOM 0 HG21 VAL A 82 9.511 -10.848 -1.533 1.00 2.14 H new ATOM 0 HG22 VAL A 82 10.107 -12.189 -2.540 1.00 2.14 H new ATOM 0 HG23 VAL A 82 9.587 -10.666 -3.301 1.00 2.14 H new ATOM 1285 N ILE A 83 5.885 -14.021 -4.518 1.00 23.52 N ATOM 1286 CA ILE A 83 4.484 -14.304 -4.803 1.00 0.20 C ATOM 1287 C ILE A 83 3.697 -14.536 -3.517 1.00 65.34 C ATOM 1288 O ILE A 83 4.159 -15.231 -2.612 1.00 34.03 O ATOM 1289 CB ILE A 83 4.332 -15.536 -5.714 1.00 41.25 C ATOM 1290 CG1 ILE A 83 2.852 -15.860 -5.928 1.00 41.11 C ATOM 1291 CG2 ILE A 83 5.060 -16.730 -5.116 1.00 65.14 C ATOM 1292 CD1 ILE A 83 2.315 -16.896 -4.966 1.00 25.40 C ATOM 0 H ILE A 83 6.498 -14.835 -4.566 1.00 23.52 H new ATOM 0 HA ILE A 83 4.084 -13.430 -5.318 1.00 0.20 H new ATOM 0 HB ILE A 83 4.779 -15.311 -6.682 1.00 41.25 H new ATOM 0 HG12 ILE A 83 2.270 -14.944 -5.826 1.00 41.11 H new ATOM 0 HG13 ILE A 83 2.710 -16.216 -6.949 1.00 41.11 H new ATOM 0 HG21 ILE A 83 4.943 -17.593 -5.772 1.00 65.14 H new ATOM 0 HG22 ILE A 83 6.119 -16.495 -5.011 1.00 65.14 H new ATOM 0 HG23 ILE A 83 4.640 -16.959 -4.137 1.00 65.14 H new ATOM 0 HD11 ILE A 83 1.261 -17.076 -5.176 1.00 25.40 H new ATOM 0 HD12 ILE A 83 2.872 -17.825 -5.084 1.00 25.40 H new ATOM 0 HD13 ILE A 83 2.425 -16.535 -3.944 1.00 25.40 H new ATOM 1304 N VAL A 84 2.506 -13.952 -3.445 1.00 51.32 N ATOM 1305 CA VAL A 84 1.653 -14.097 -2.272 1.00 33.32 C ATOM 1306 C VAL A 84 0.193 -14.275 -2.673 1.00 34.13 C ATOM 1307 O VAL A 84 -0.287 -13.636 -3.609 1.00 61.03 O ATOM 1308 CB VAL A 84 1.772 -12.880 -1.336 1.00 42.54 C ATOM 1309 CG1 VAL A 84 3.151 -12.831 -0.697 1.00 4.52 C ATOM 1310 CG2 VAL A 84 1.482 -11.594 -2.096 1.00 72.02 C ATOM 0 H VAL A 84 2.110 -13.374 -4.186 1.00 51.32 H new ATOM 0 HA VAL A 84 1.993 -14.987 -1.742 1.00 33.32 H new ATOM 0 HB VAL A 84 1.033 -12.981 -0.541 1.00 42.54 H new ATOM 0 HG11 VAL A 84 3.217 -11.964 -0.039 1.00 4.52 H new ATOM 0 HG12 VAL A 84 3.316 -13.740 -0.118 1.00 4.52 H new ATOM 0 HG13 VAL A 84 3.910 -12.754 -1.475 1.00 4.52 H new ATOM 0 HG21 VAL A 84 1.570 -10.744 -1.420 1.00 72.02 H new ATOM 0 HG22 VAL A 84 2.196 -11.485 -2.912 1.00 72.02 H new ATOM 0 HG23 VAL A 84 0.471 -11.631 -2.502 1.00 72.02 H new ATOM 1320 N ASP A 85 -0.509 -15.147 -1.957 1.00 54.13 N ATOM 1321 CA ASP A 85 -1.917 -15.408 -2.237 1.00 24.31 C ATOM 1322 C ASP A 85 -2.798 -14.925 -1.089 1.00 44.43 C ATOM 1323 O ASP A 85 -2.717 -15.437 0.027 1.00 61.51 O ATOM 1324 CB ASP A 85 -2.142 -16.902 -2.475 1.00 74.11 C ATOM 1325 CG ASP A 85 -2.949 -17.173 -3.730 1.00 15.14 C ATOM 1326 OD1 ASP A 85 -4.166 -16.888 -3.726 1.00 45.33 O ATOM 1327 OD2 ASP A 85 -2.365 -17.669 -4.715 1.00 21.20 O ATOM 0 H ASP A 85 -0.127 -15.685 -1.179 1.00 54.13 H new ATOM 0 HA ASP A 85 -2.191 -14.859 -3.137 1.00 24.31 H new ATOM 0 HB2 ASP A 85 -1.178 -17.404 -2.551 1.00 74.11 H new ATOM 0 HB3 ASP A 85 -2.657 -17.330 -1.615 1.00 74.11 H new ATOM 1332 N ARG A 86 -3.637 -13.934 -1.372 1.00 14.03 N ATOM 1333 CA ARG A 86 -4.532 -13.379 -0.363 1.00 24.45 C ATOM 1334 C ARG A 86 -3.743 -12.653 0.723 1.00 64.11 C ATOM 1335 O ARG A 86 -3.461 -13.198 1.790 1.00 22.51 O ATOM 1336 CB ARG A 86 -5.379 -14.489 0.264 1.00 41.44 C ATOM 1337 CG ARG A 86 -6.874 -14.297 0.068 1.00 0.00 C ATOM 1338 CD ARG A 86 -7.438 -13.280 1.048 1.00 72.11 C ATOM 1339 NE ARG A 86 -8.898 -13.263 1.039 1.00 35.30 N ATOM 1340 CZ ARG A 86 -9.621 -12.634 0.119 1.00 44.41 C ATOM 1341 NH1 ARG A 86 -9.021 -11.973 -0.862 1.00 24.12 N ATOM 1342 NH2 ARG A 86 -10.946 -12.664 0.178 1.00 22.24 N ATOM 0 H ARG A 86 -3.716 -13.499 -2.291 1.00 14.03 H new ATOM 0 HA ARG A 86 -5.190 -12.661 -0.852 1.00 24.45 H new ATOM 0 HB2 ARG A 86 -5.085 -15.446 -0.166 1.00 41.44 H new ATOM 0 HB3 ARG A 86 -5.164 -14.540 1.331 1.00 41.44 H new ATOM 0 HG2 ARG A 86 -7.069 -13.967 -0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.385 -15.251 0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.084 -13.510 2.053 1.00 72.11 H new ATOM 0 HD3 ARG A 86 -7.062 -12.288 0.797 1.00 72.11 H new ATOM 0 HE ARG A 86 -9.390 -13.762 1.780 1.00 35.30 H new ATOM 0 HH11 ARG A 86 -8.003 -11.947 -0.911 1.00 24.12 H new ATOM 0 HH12 ARG A 86 -9.578 -11.491 -1.567 1.00 24.12 H new ATOM 0 HH21 ARG A 86 -11.412 -13.171 0.931 1.00 22.24 H new ATOM 0 HH22 ARG A 86 -11.499 -12.180 -0.529 1.00 22.24 H new ATOM 1356 N PRO A 87 -3.376 -11.393 0.446 1.00 54.13 N ATOM 1357 CA PRO A 87 -3.706 -10.733 -0.821 1.00 64.45 C ATOM 1358 C PRO A 87 -2.934 -11.321 -1.998 1.00 44.52 C ATOM 1359 O PRO A 87 -1.858 -11.894 -1.824 1.00 23.42 O ATOM 1360 CB PRO A 87 -3.292 -9.279 -0.583 1.00 22.25 C ATOM 1361 CG PRO A 87 -2.239 -9.353 0.469 1.00 13.23 C ATOM 1362 CD PRO A 87 -2.612 -10.515 1.348 1.00 53.13 C ATOM 0 HA PRO A 87 -4.758 -10.853 -1.081 1.00 64.45 H new ATOM 0 HB2 PRO A 87 -2.909 -8.822 -1.495 1.00 22.25 H new ATOM 0 HB3 PRO A 87 -4.138 -8.675 -0.255 1.00 22.25 H new ATOM 0 HG2 PRO A 87 -1.254 -9.500 0.026 1.00 13.23 H new ATOM 0 HG3 PRO A 87 -2.195 -8.428 1.043 1.00 13.23 H new ATOM 0 HD2 PRO A 87 -1.730 -11.017 1.746 1.00 53.13 H new ATOM 0 HD3 PRO A 87 -3.210 -10.197 2.202 1.00 53.13 H new ATOM 1370 N LEU A 88 -3.488 -11.173 -3.196 1.00 75.31 N ATOM 1371 CA LEU A 88 -2.851 -11.689 -4.403 1.00 13.20 C ATOM 1372 C LEU A 88 -2.037 -10.601 -5.096 1.00 25.14 C ATOM 1373 O LEU A 88 -2.592 -9.636 -5.619 1.00 42.23 O ATOM 1374 CB LEU A 88 -3.906 -12.242 -5.363 1.00 45.15 C ATOM 1375 CG LEU A 88 -3.420 -13.299 -6.356 1.00 35.32 C ATOM 1376 CD1 LEU A 88 -2.735 -14.443 -5.625 1.00 4.24 C ATOM 1377 CD2 LEU A 88 -4.581 -13.818 -7.192 1.00 32.41 C ATOM 0 H LEU A 88 -4.377 -10.700 -3.358 1.00 75.31 H new ATOM 0 HA LEU A 88 -2.175 -12.494 -4.113 1.00 13.20 H new ATOM 0 HB2 LEU A 88 -4.716 -12.671 -4.773 1.00 45.15 H new ATOM 0 HB3 LEU A 88 -4.328 -11.410 -5.926 1.00 45.15 H new ATOM 0 HG LEU A 88 -2.694 -12.836 -7.025 1.00 35.32 H new ATOM 0 HD11 LEU A 88 -2.396 -15.185 -6.348 1.00 4.24 H new ATOM 0 HD12 LEU A 88 -1.879 -14.059 -5.070 1.00 4.24 H new ATOM 0 HD13 LEU A 88 -3.439 -14.905 -4.933 1.00 4.24 H new ATOM 0 HD21 LEU A 88 -4.217 -14.569 -7.893 1.00 32.41 H new ATOM 0 HD22 LEU A 88 -5.329 -14.265 -6.538 1.00 32.41 H new ATOM 0 HD23 LEU A 88 -5.029 -12.992 -7.745 1.00 32.41 H new ATOM 1389 N GLN A 89 -0.718 -10.766 -5.096 1.00 23.44 N ATOM 1390 CA GLN A 89 0.173 -9.799 -5.726 1.00 11.13 C ATOM 1391 C GLN A 89 1.629 -10.229 -5.587 1.00 25.10 C ATOM 1392 O GLN A 89 1.922 -11.314 -5.084 1.00 61.13 O ATOM 1393 CB GLN A 89 -0.024 -8.414 -5.106 1.00 64.21 C ATOM 1394 CG GLN A 89 -0.558 -7.380 -6.084 1.00 64.32 C ATOM 1395 CD GLN A 89 0.530 -6.786 -6.957 1.00 3.44 C ATOM 1396 OE1 GLN A 89 0.614 -7.078 -8.150 1.00 3.12 O ATOM 1397 NE2 GLN A 89 1.371 -5.945 -6.365 1.00 21.44 N ATOM 0 H GLN A 89 -0.243 -11.560 -4.667 1.00 23.44 H new ATOM 0 HA GLN A 89 -0.073 -9.753 -6.787 1.00 11.13 H new ATOM 0 HB2 GLN A 89 -0.713 -8.496 -4.265 1.00 64.21 H new ATOM 0 HB3 GLN A 89 0.928 -8.066 -4.706 1.00 64.21 H new ATOM 0 HG2 GLN A 89 -1.315 -7.842 -6.718 1.00 64.32 H new ATOM 0 HG3 GLN A 89 -1.050 -6.581 -5.529 1.00 64.32 H new ATOM 0 HE21 GLN A 89 1.265 -5.731 -5.373 1.00 21.44 H new ATOM 0 HE22 GLN A 89 2.123 -5.513 -6.902 1.00 21.44 H new ATOM 1406 N VAL A 90 2.540 -9.371 -6.036 1.00 61.23 N ATOM 1407 CA VAL A 90 3.967 -9.662 -5.962 1.00 31.04 C ATOM 1408 C VAL A 90 4.731 -8.506 -5.325 1.00 34.53 C ATOM 1409 O VAL A 90 4.277 -7.362 -5.345 1.00 70.13 O ATOM 1410 CB VAL A 90 4.556 -9.945 -7.356 1.00 73.34 C ATOM 1411 CG1 VAL A 90 5.950 -10.541 -7.237 1.00 21.14 C ATOM 1412 CG2 VAL A 90 3.638 -10.868 -8.144 1.00 64.41 C ATOM 0 H VAL A 90 2.315 -8.469 -6.455 1.00 61.23 H new ATOM 0 HA VAL A 90 4.076 -10.552 -5.342 1.00 31.04 H new ATOM 0 HB VAL A 90 4.636 -9.001 -7.896 1.00 73.34 H new ATOM 0 HG11 VAL A 90 6.349 -10.734 -8.233 1.00 21.14 H new ATOM 0 HG12 VAL A 90 6.602 -9.841 -6.714 1.00 21.14 H new ATOM 0 HG13 VAL A 90 5.900 -11.476 -6.679 1.00 21.14 H new ATOM 0 HG21 VAL A 90 4.069 -11.058 -9.127 1.00 64.41 H new ATOM 0 HG22 VAL A 90 3.524 -11.811 -7.609 1.00 64.41 H new ATOM 0 HG23 VAL A 90 2.662 -10.397 -8.261 1.00 64.41 H new ATOM 1422 N PHE A 91 5.893 -8.813 -4.759 1.00 64.32 N ATOM 1423 CA PHE A 91 6.721 -7.800 -4.115 1.00 63.22 C ATOM 1424 C PHE A 91 8.074 -7.680 -4.811 1.00 73.04 C ATOM 1425 O PHE A 91 8.817 -8.656 -4.921 1.00 4.54 O ATOM 1426 CB PHE A 91 6.924 -8.141 -2.637 1.00 41.04 C ATOM 1427 CG PHE A 91 5.641 -8.237 -1.863 1.00 10.34 C ATOM 1428 CD1 PHE A 91 4.785 -7.150 -1.777 1.00 62.42 C ATOM 1429 CD2 PHE A 91 5.291 -9.413 -1.219 1.00 51.13 C ATOM 1430 CE1 PHE A 91 3.603 -7.235 -1.065 1.00 63.24 C ATOM 1431 CE2 PHE A 91 4.110 -9.504 -0.506 1.00 43.34 C ATOM 1432 CZ PHE A 91 3.266 -8.413 -0.428 1.00 61.23 C ATOM 0 H PHE A 91 6.283 -9.755 -4.733 1.00 64.32 H new ATOM 0 HA PHE A 91 6.206 -6.843 -4.193 1.00 63.22 H new ATOM 0 HB2 PHE A 91 7.457 -9.089 -2.561 1.00 41.04 H new ATOM 0 HB3 PHE A 91 7.558 -7.381 -2.181 1.00 41.04 H new ATOM 0 HD1 PHE A 91 5.045 -6.226 -2.272 1.00 62.42 H new ATOM 0 HD2 PHE A 91 5.948 -10.268 -1.275 1.00 51.13 H new ATOM 0 HE1 PHE A 91 2.944 -6.381 -1.007 1.00 63.24 H new ATOM 0 HE2 PHE A 91 3.847 -10.427 -0.010 1.00 43.34 H new ATOM 0 HZ PHE A 91 2.344 -8.481 0.130 1.00 61.23 H new ATOM 1442 N HIS A 92 8.386 -6.476 -5.281 1.00 72.45 N ATOM 1443 CA HIS A 92 9.649 -6.227 -5.968 1.00 34.44 C ATOM 1444 C HIS A 92 10.822 -6.316 -4.996 1.00 35.12 C ATOM 1445 O HIS A 92 10.966 -5.480 -4.104 1.00 24.34 O ATOM 1446 CB HIS A 92 9.628 -4.852 -6.636 1.00 33.41 C ATOM 1447 CG HIS A 92 10.122 -4.866 -8.050 1.00 31.04 C ATOM 1448 ND1 HIS A 92 11.239 -4.172 -8.463 1.00 41.51 N ATOM 1449 CD2 HIS A 92 9.645 -5.497 -9.148 1.00 41.01 C ATOM 1450 CE1 HIS A 92 11.427 -4.373 -9.755 1.00 61.31 C ATOM 1451 NE2 HIS A 92 10.474 -5.175 -10.195 1.00 15.43 N ATOM 0 H HIS A 92 7.782 -5.658 -5.199 1.00 72.45 H new ATOM 0 HA HIS A 92 9.775 -6.992 -6.734 1.00 34.44 H new ATOM 0 HB2 HIS A 92 8.609 -4.465 -6.619 1.00 33.41 H new ATOM 0 HB3 HIS A 92 10.240 -4.164 -6.053 1.00 33.41 H new ATOM 0 HD2 HIS A 92 8.775 -6.135 -9.193 1.00 41.01 H new ATOM 0 HE1 HIS A 92 12.224 -3.953 -10.350 1.00 61.31 H new ATOM 0 HE2 HIS A 92 10.371 -5.502 -11.156 1.00 15.43 H new ATOM 1459 N VAL A 93 11.656 -7.335 -5.175 1.00 3.03 N ATOM 1460 CA VAL A 93 12.817 -7.533 -4.314 1.00 54.23 C ATOM 1461 C VAL A 93 14.114 -7.418 -5.106 1.00 61.14 C ATOM 1462 O VAL A 93 14.258 -8.020 -6.170 1.00 41.21 O ATOM 1463 CB VAL A 93 12.772 -8.906 -3.619 1.00 21.40 C ATOM 1464 CG1 VAL A 93 14.044 -9.142 -2.819 1.00 44.32 C ATOM 1465 CG2 VAL A 93 11.545 -9.012 -2.727 1.00 35.02 C ATOM 0 H VAL A 93 11.550 -8.036 -5.908 1.00 3.03 H new ATOM 0 HA VAL A 93 12.787 -6.750 -3.556 1.00 54.23 H new ATOM 0 HB VAL A 93 12.704 -9.679 -4.385 1.00 21.40 H new ATOM 0 HG11 VAL A 93 13.994 -10.117 -2.335 1.00 44.32 H new ATOM 0 HG12 VAL A 93 14.905 -9.112 -3.487 1.00 44.32 H new ATOM 0 HG13 VAL A 93 14.146 -8.366 -2.061 1.00 44.32 H new ATOM 0 HG21 VAL A 93 11.530 -9.989 -2.244 1.00 35.02 H new ATOM 0 HG22 VAL A 93 11.579 -8.232 -1.967 1.00 35.02 H new ATOM 0 HG23 VAL A 93 10.645 -8.891 -3.330 1.00 35.02 H new ATOM 1475 N GLU A 94 15.056 -6.642 -4.580 1.00 1.22 N ATOM 1476 CA GLU A 94 16.342 -6.448 -5.239 1.00 23.51 C ATOM 1477 C GLU A 94 17.486 -6.515 -4.231 1.00 32.44 C ATOM 1478 O GLU A 94 17.650 -5.621 -3.401 1.00 43.21 O ATOM 1479 CB GLU A 94 16.369 -5.104 -5.969 1.00 5.13 C ATOM 1480 CG GLU A 94 16.372 -5.233 -7.483 1.00 33.13 C ATOM 1481 CD GLU A 94 17.130 -4.110 -8.163 1.00 15.40 C ATOM 1482 OE1 GLU A 94 18.201 -3.721 -7.652 1.00 72.53 O ATOM 1483 OE2 GLU A 94 16.651 -3.619 -9.207 1.00 14.22 O ATOM 0 H GLU A 94 14.953 -6.137 -3.700 1.00 1.22 H new ATOM 0 HA GLU A 94 16.473 -7.250 -5.965 1.00 23.51 H new ATOM 0 HB2 GLU A 94 15.502 -4.517 -5.665 1.00 5.13 H new ATOM 0 HB3 GLU A 94 17.254 -4.549 -5.658 1.00 5.13 H new ATOM 0 HG2 GLU A 94 16.818 -6.188 -7.762 1.00 33.13 H new ATOM 0 HG3 GLU A 94 15.344 -5.244 -7.845 1.00 33.13 H new ATOM 1490 N VAL A 95 18.274 -7.583 -4.308 1.00 73.33 N ATOM 1491 CA VAL A 95 19.402 -7.768 -3.404 1.00 22.12 C ATOM 1492 C VAL A 95 20.726 -7.527 -4.120 1.00 61.05 C ATOM 1493 O VAL A 95 20.955 -8.046 -5.213 1.00 12.25 O ATOM 1494 CB VAL A 95 19.410 -9.184 -2.798 1.00 34.03 C ATOM 1495 CG1 VAL A 95 18.183 -9.398 -1.924 1.00 53.44 C ATOM 1496 CG2 VAL A 95 19.481 -10.233 -3.897 1.00 21.32 C ATOM 0 H VAL A 95 18.151 -8.333 -4.988 1.00 73.33 H new ATOM 0 HA VAL A 95 19.287 -7.038 -2.603 1.00 22.12 H new ATOM 0 HB VAL A 95 20.296 -9.287 -2.171 1.00 34.03 H new ATOM 0 HG11 VAL A 95 18.206 -10.404 -1.505 1.00 53.44 H new ATOM 0 HG12 VAL A 95 18.181 -8.667 -1.115 1.00 53.44 H new ATOM 0 HG13 VAL A 95 17.282 -9.276 -2.525 1.00 53.44 H new ATOM 0 HG21 VAL A 95 19.486 -11.228 -3.451 1.00 21.32 H new ATOM 0 HG22 VAL A 95 18.615 -10.133 -4.552 1.00 21.32 H new ATOM 0 HG23 VAL A 95 20.393 -10.091 -4.477 1.00 21.32 H new ATOM 1506 N GLU A 96 21.595 -6.737 -3.497 1.00 53.45 N ATOM 1507 CA GLU A 96 22.896 -6.427 -4.077 1.00 44.30 C ATOM 1508 C GLU A 96 24.022 -7.030 -3.241 1.00 14.51 C ATOM 1509 O GLU A 96 23.863 -7.264 -2.043 1.00 33.51 O ATOM 1510 CB GLU A 96 23.083 -4.912 -4.187 1.00 10.02 C ATOM 1511 CG GLU A 96 22.568 -4.328 -5.492 1.00 21.32 C ATOM 1512 CD GLU A 96 22.299 -2.839 -5.399 1.00 12.14 C ATOM 1513 OE1 GLU A 96 21.538 -2.430 -4.497 1.00 0.44 O ATOM 1514 OE2 GLU A 96 22.848 -2.083 -6.227 1.00 71.20 O ATOM 0 H GLU A 96 21.422 -6.301 -2.592 1.00 53.45 H new ATOM 0 HA GLU A 96 22.933 -6.864 -5.075 1.00 44.30 H new ATOM 0 HB2 GLU A 96 22.569 -4.430 -3.355 1.00 10.02 H new ATOM 0 HB3 GLU A 96 24.143 -4.677 -4.087 1.00 10.02 H new ATOM 0 HG2 GLU A 96 23.297 -4.513 -6.281 1.00 21.32 H new ATOM 0 HG3 GLU A 96 21.650 -4.842 -5.779 1.00 21.32 H new ATOM 1521 N VAL A 97 25.159 -7.278 -3.882 1.00 23.21 N ATOM 1522 CA VAL A 97 26.312 -7.853 -3.199 1.00 11.05 C ATOM 1523 C VAL A 97 27.268 -6.765 -2.723 1.00 12.30 C ATOM 1524 O VAL A 97 27.521 -5.792 -3.434 1.00 72.33 O ATOM 1525 CB VAL A 97 27.077 -8.829 -4.112 1.00 74.30 C ATOM 1526 CG1 VAL A 97 26.324 -10.145 -4.236 1.00 71.23 C ATOM 1527 CG2 VAL A 97 27.308 -8.207 -5.481 1.00 5.04 C ATOM 0 H VAL A 97 25.307 -7.090 -4.874 1.00 23.21 H new ATOM 0 HA VAL A 97 25.929 -8.399 -2.337 1.00 11.05 H new ATOM 0 HB VAL A 97 28.049 -9.034 -3.663 1.00 74.30 H new ATOM 0 HG11 VAL A 97 26.879 -10.822 -4.885 1.00 71.23 H new ATOM 0 HG12 VAL A 97 26.214 -10.596 -3.250 1.00 71.23 H new ATOM 0 HG13 VAL A 97 25.338 -9.961 -4.663 1.00 71.23 H new ATOM 0 HG21 VAL A 97 27.850 -8.910 -6.113 1.00 5.04 H new ATOM 0 HG22 VAL A 97 26.348 -7.971 -5.940 1.00 5.04 H new ATOM 0 HG23 VAL A 97 27.892 -7.293 -5.372 1.00 5.04 H new ATOM 1537 N ARG A 98 27.797 -6.936 -1.516 1.00 14.43 N ATOM 1538 CA ARG A 98 28.725 -5.967 -0.944 1.00 73.32 C ATOM 1539 C ARG A 98 30.110 -6.581 -0.767 1.00 63.40 C ATOM 1540 O ARG A 98 30.280 -7.552 -0.029 1.00 4.35 O ATOM 1541 CB ARG A 98 28.203 -5.462 0.402 1.00 20.23 C ATOM 1542 CG ARG A 98 28.883 -4.190 0.880 1.00 11.52 C ATOM 1543 CD ARG A 98 29.877 -4.474 1.995 1.00 0.02 C ATOM 1544 NE ARG A 98 29.305 -4.223 3.315 1.00 22.44 N ATOM 1545 CZ ARG A 98 29.070 -3.007 3.795 1.00 35.44 C ATOM 1546 NH1 ARG A 98 29.355 -1.937 3.067 1.00 14.21 N ATOM 1547 NH2 ARG A 98 28.547 -2.861 5.006 1.00 1.43 N ATOM 0 H ARG A 98 27.599 -7.736 -0.915 1.00 14.43 H new ATOM 0 HA ARG A 98 28.804 -5.126 -1.633 1.00 73.32 H new ATOM 0 HB2 ARG A 98 27.131 -5.283 0.322 1.00 20.23 H new ATOM 0 HB3 ARG A 98 28.341 -6.241 1.151 1.00 20.23 H new ATOM 0 HG2 ARG A 98 29.398 -3.716 0.045 1.00 11.52 H new ATOM 0 HG3 ARG A 98 28.131 -3.485 1.233 1.00 11.52 H new ATOM 0 HD2 ARG A 98 30.204 -5.512 1.933 1.00 0.02 H new ATOM 0 HD3 ARG A 98 30.762 -3.852 1.859 1.00 0.02 H new ATOM 0 HE ARG A 98 29.073 -5.025 3.900 1.00 22.44 H new ATOM 0 HH11 ARG A 98 29.756 -2.046 2.135 1.00 14.21 H new ATOM 0 HH12 ARG A 98 29.173 -1.004 3.438 1.00 14.21 H new ATOM 0 HH21 ARG A 98 28.325 -3.683 5.568 1.00 1.43 H new ATOM 0 HH22 ARG A 98 28.367 -1.927 5.374 1.00 1.43 H new ATOM 1561 N ASP A 99 31.096 -6.010 -1.449 1.00 65.14 N ATOM 1562 CA ASP A 99 32.467 -6.501 -1.367 1.00 44.53 C ATOM 1563 C ASP A 99 33.399 -5.656 -2.231 1.00 62.42 C ATOM 1564 O ASP A 99 32.983 -4.655 -2.814 1.00 41.31 O ATOM 1565 CB ASP A 99 32.535 -7.965 -1.803 1.00 73.02 C ATOM 1566 CG ASP A 99 32.942 -8.888 -0.671 1.00 44.35 C ATOM 1567 OD1 ASP A 99 32.635 -8.567 0.496 1.00 73.41 O ATOM 1568 OD2 ASP A 99 33.568 -9.931 -0.953 1.00 45.32 O ATOM 0 H ASP A 99 30.972 -5.207 -2.065 1.00 65.14 H new ATOM 0 HA ASP A 99 32.793 -6.424 -0.330 1.00 44.53 H new ATOM 0 HB2 ASP A 99 31.562 -8.272 -2.187 1.00 73.02 H new ATOM 0 HB3 ASP A 99 33.247 -8.064 -2.623 1.00 73.02 H new ATOM 1573 N ILE A 100 34.660 -6.067 -2.308 1.00 24.21 N ATOM 1574 CA ILE A 100 35.650 -5.349 -3.100 1.00 45.34 C ATOM 1575 C ILE A 100 36.346 -6.280 -4.088 1.00 34.13 C ATOM 1576 O ILE A 100 36.395 -7.492 -3.883 1.00 63.12 O ATOM 1577 CB ILE A 100 36.712 -4.683 -2.205 1.00 44.35 C ATOM 1578 CG1 ILE A 100 36.047 -4.000 -1.009 1.00 31.34 C ATOM 1579 CG2 ILE A 100 37.528 -3.680 -3.008 1.00 12.21 C ATOM 1580 CD1 ILE A 100 35.935 -4.891 0.209 1.00 10.42 C ATOM 0 H ILE A 100 35.020 -6.894 -1.831 1.00 24.21 H new ATOM 0 HA ILE A 100 35.113 -4.576 -3.650 1.00 45.34 H new ATOM 0 HB ILE A 100 37.386 -5.454 -1.831 1.00 44.35 H new ATOM 0 HG12 ILE A 100 36.617 -3.109 -0.746 1.00 31.34 H new ATOM 0 HG13 ILE A 100 35.050 -3.667 -1.299 1.00 31.34 H new ATOM 0 HG21 ILE A 100 38.274 -3.218 -2.362 1.00 12.21 H new ATOM 0 HG22 ILE A 100 38.027 -4.192 -3.830 1.00 12.21 H new ATOM 0 HG23 ILE A 100 36.868 -2.911 -3.408 1.00 12.21 H new ATOM 0 HD11 ILE A 100 35.454 -4.342 1.018 1.00 10.42 H new ATOM 0 HD12 ILE A 100 35.340 -5.770 -0.037 1.00 10.42 H new ATOM 0 HD13 ILE A 100 36.931 -5.203 0.524 1.00 10.42 H new