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 Single : A 3 SER OG : rot 28:sc= 0.0519 USER MOD Single : A 4 GLN :FLIP amide:sc= 0.557 F(o=-0.00078,f=0.56) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 7 TYR OH : rot 150:sc= -1.67 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= -0.0488 X(o=-0.049,f=-0.049) USER MOD Single : A 17 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 24 GLN : amide:sc= -0.0457 K(o=-0.046,f=-1.6) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 117:sc= 0.8 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.14 K(o=-2.1,f=-15!) USER MOD Single : A 54 GLN : amide:sc= -0.598 X(o=-0.6,f=-0.15) USER MOD Single : A 55 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.66) USER MOD Single : A 61 ASN : amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 62 SER OG : rot 95:sc= 0.419 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc=-0.00228 X(o=-0.0023,f=-0.35) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 22 N SER A 3 5.930 -2.155 -3.055 1.00 24.22 N ATOM 23 CA SER A 3 6.271 -3.126 -4.088 1.00 71.02 C ATOM 24 C SER A 3 7.763 -3.085 -4.402 1.00 43.41 C ATOM 25 O SER A 3 8.342 -4.076 -4.845 1.00 42.04 O ATOM 26 CB SER A 3 5.463 -2.854 -5.359 1.00 22.31 C ATOM 27 OG SER A 3 4.072 -2.957 -5.110 1.00 51.44 O ATOM 0 HA SER A 3 6.024 -4.120 -3.714 1.00 71.02 H new ATOM 0 HB2 SER A 3 5.696 -1.858 -5.735 1.00 22.31 H new ATOM 0 HB3 SER A 3 5.750 -3.563 -6.135 1.00 22.31 H new ATOM 0 HG SER A 3 3.890 -2.737 -4.172 1.00 51.44 H new ATOM 33 N GLN A 4 8.379 -1.930 -4.168 1.00 71.05 N ATOM 34 CA GLN A 4 9.804 -1.759 -4.427 1.00 14.42 C ATOM 35 C GLN A 4 10.613 -1.921 -3.144 1.00 72.13 C ATOM 36 O GLN A 4 10.674 -1.010 -2.318 1.00 45.24 O ATOM 37 CB GLN A 4 10.070 -0.383 -5.041 1.00 62.32 C ATOM 38 CG GLN A 4 9.452 0.763 -4.257 1.00 43.34 C ATOM 39 CD GLN A 4 10.465 1.830 -3.887 1.00 75.54 C ATOM 40 OE1 GLN A 4 10.196 3.066 -4.289 1.00 43.04 O flip ATOM 41 NE2 GLN A 4 11.477 1.545 -3.247 1.00 52.24 N flip ATOM 0 H GLN A 4 7.914 -1.100 -3.800 1.00 71.05 H new ATOM 0 HA GLN A 4 10.115 -2.530 -5.132 1.00 14.42 H new ATOM 0 HB2 GLN A 4 11.147 -0.227 -5.109 1.00 62.32 H new ATOM 0 HB3 GLN A 4 9.681 -0.367 -6.059 1.00 62.32 H new ATOM 0 HG2 GLN A 4 8.654 1.214 -4.847 1.00 43.34 H new ATOM 0 HG3 GLN A 4 8.994 0.372 -3.349 1.00 43.34 H new ATOM 0 HE21 GLN A 4 11.643 0.581 -2.958 1.00 52.24 H new ATOM 0 HE22 GLN A 4 12.149 2.273 -3.005 1.00 52.24 H new ATOM 50 N ILE A 5 11.231 -3.086 -2.984 1.00 70.33 N ATOM 51 CA ILE A 5 12.037 -3.367 -1.803 1.00 33.15 C ATOM 52 C ILE A 5 13.392 -3.950 -2.187 1.00 43.12 C ATOM 53 O ILE A 5 13.507 -4.693 -3.163 1.00 14.23 O ATOM 54 CB ILE A 5 11.321 -4.345 -0.853 1.00 32.44 C ATOM 55 CG1 ILE A 5 9.853 -3.947 -0.687 1.00 32.14 C ATOM 56 CG2 ILE A 5 12.021 -4.381 0.497 1.00 24.14 C ATOM 57 CD1 ILE A 5 9.664 -2.569 -0.093 1.00 1.14 C ATOM 0 H ILE A 5 11.189 -3.851 -3.658 1.00 70.33 H new ATOM 0 HA ILE A 5 12.186 -2.417 -1.290 1.00 33.15 H new ATOM 0 HB ILE A 5 11.360 -5.344 -1.288 1.00 32.44 H new ATOM 0 HG12 ILE A 5 9.362 -3.985 -1.660 1.00 32.14 H new ATOM 0 HG13 ILE A 5 9.356 -4.679 -0.051 1.00 32.14 H new ATOM 0 HG21 ILE A 5 11.503 -5.077 1.157 1.00 24.14 H new ATOM 0 HG22 ILE A 5 13.052 -4.707 0.363 1.00 24.14 H new ATOM 0 HG23 ILE A 5 12.010 -3.385 0.939 1.00 24.14 H new ATOM 0 HD11 ILE A 5 8.599 -2.354 -0.004 1.00 1.14 H new ATOM 0 HD12 ILE A 5 10.125 -2.532 0.894 1.00 1.14 H new ATOM 0 HD13 ILE A 5 10.131 -1.827 -0.740 1.00 1.14 H new ATOM 69 N HIS A 6 14.418 -3.609 -1.413 1.00 71.51 N ATOM 70 CA HIS A 6 15.767 -4.101 -1.671 1.00 53.02 C ATOM 71 C HIS A 6 16.467 -4.475 -0.368 1.00 62.14 C ATOM 72 O HIS A 6 16.167 -3.922 0.690 1.00 21.52 O ATOM 73 CB HIS A 6 16.583 -3.045 -2.418 1.00 32.33 C ATOM 74 CG HIS A 6 16.612 -1.715 -1.731 1.00 54.51 C ATOM 75 ND1 HIS A 6 15.676 -0.728 -1.961 1.00 73.45 N ATOM 76 CD2 HIS A 6 17.470 -1.210 -0.814 1.00 13.20 C ATOM 77 CE1 HIS A 6 15.958 0.326 -1.217 1.00 71.12 C ATOM 78 NE2 HIS A 6 17.042 0.059 -0.511 1.00 52.41 N ATOM 0 H HIS A 6 14.341 -2.994 -0.603 1.00 71.51 H new ATOM 0 HA HIS A 6 15.690 -4.995 -2.290 1.00 53.02 H new ATOM 0 HB2 HIS A 6 17.605 -3.405 -2.538 1.00 32.33 H new ATOM 0 HB3 HIS A 6 16.170 -2.919 -3.419 1.00 32.33 H new ATOM 0 HD2 HIS A 6 18.331 -1.712 -0.398 1.00 13.20 H new ATOM 0 HE1 HIS A 6 15.398 1.249 -1.190 1.00 71.12 H new ATOM 0 HE2 HIS A 6 17.489 0.693 0.152 1.00 52.41 H new ATOM 86 N TYR A 7 17.400 -5.416 -0.454 1.00 24.55 N ATOM 87 CA TYR A 7 18.141 -5.867 0.719 1.00 0.30 C ATOM 88 C TYR A 7 19.643 -5.861 0.450 1.00 12.32 C ATOM 89 O TYR A 7 20.082 -5.638 -0.678 1.00 0.42 O ATOM 90 CB TYR A 7 17.690 -7.271 1.125 1.00 51.20 C ATOM 91 CG TYR A 7 16.190 -7.461 1.082 1.00 25.02 C ATOM 92 CD1 TYR A 7 15.336 -6.528 1.657 1.00 33.41 C ATOM 93 CD2 TYR A 7 15.629 -8.573 0.468 1.00 34.42 C ATOM 94 CE1 TYR A 7 13.965 -6.698 1.621 1.00 21.32 C ATOM 95 CE2 TYR A 7 14.259 -8.751 0.426 1.00 3.32 C ATOM 96 CZ TYR A 7 13.432 -7.811 1.004 1.00 12.32 C ATOM 97 OH TYR A 7 12.067 -7.984 0.966 1.00 63.43 O ATOM 0 H TYR A 7 17.662 -5.882 -1.323 1.00 24.55 H new ATOM 0 HA TYR A 7 17.934 -5.176 1.536 1.00 0.30 H new ATOM 0 HB2 TYR A 7 18.159 -8.000 0.464 1.00 51.20 H new ATOM 0 HB3 TYR A 7 18.046 -7.480 2.134 1.00 51.20 H new ATOM 0 HD1 TYR A 7 15.750 -5.655 2.140 1.00 33.41 H new ATOM 0 HD2 TYR A 7 16.274 -9.311 0.016 1.00 34.42 H new ATOM 0 HE1 TYR A 7 13.315 -5.964 2.073 1.00 21.32 H new ATOM 0 HE2 TYR A 7 13.839 -9.621 -0.057 1.00 3.32 H new ATOM 0 HH TYR A 7 11.823 -8.480 0.157 1.00 63.43 H new ATOM 107 N SER A 8 20.425 -6.108 1.496 1.00 64.43 N ATOM 108 CA SER A 8 21.878 -6.129 1.375 1.00 44.30 C ATOM 109 C SER A 8 22.446 -7.456 1.870 1.00 42.51 C ATOM 110 O SER A 8 22.027 -7.975 2.905 1.00 51.04 O ATOM 111 CB SER A 8 22.493 -4.972 2.165 1.00 42.42 C ATOM 112 OG SER A 8 23.564 -4.378 1.450 1.00 34.34 O ATOM 0 H SER A 8 20.077 -6.296 2.436 1.00 64.43 H new ATOM 0 HA SER A 8 22.132 -6.016 0.321 1.00 44.30 H new ATOM 0 HB2 SER A 8 21.729 -4.222 2.372 1.00 42.42 H new ATOM 0 HB3 SER A 8 22.852 -5.335 3.128 1.00 42.42 H new ATOM 0 HG SER A 8 23.939 -3.640 1.975 1.00 34.34 H new ATOM 118 N ILE A 9 23.402 -7.998 1.123 1.00 1.03 N ATOM 119 CA ILE A 9 24.028 -9.263 1.486 1.00 65.21 C ATOM 120 C ILE A 9 25.487 -9.302 1.042 1.00 11.43 C ATOM 121 O ILE A 9 25.818 -9.031 -0.112 1.00 73.44 O ATOM 122 CB ILE A 9 23.283 -10.459 0.865 1.00 71.04 C ATOM 123 CG1 ILE A 9 24.143 -11.722 0.946 1.00 73.11 C ATOM 124 CG2 ILE A 9 22.909 -10.158 -0.579 1.00 63.11 C ATOM 125 CD1 ILE A 9 24.889 -12.028 -0.333 1.00 64.15 C ATOM 0 H ILE A 9 23.760 -7.581 0.263 1.00 1.03 H new ATOM 0 HA ILE A 9 23.978 -9.339 2.572 1.00 65.21 H new ATOM 0 HB ILE A 9 22.366 -10.630 1.429 1.00 71.04 H new ATOM 0 HG12 ILE A 9 24.861 -11.611 1.758 1.00 73.11 H new ATOM 0 HG13 ILE A 9 23.506 -12.570 1.197 1.00 73.11 H new ATOM 0 HG21 ILE A 9 22.383 -11.013 -1.004 1.00 63.11 H new ATOM 0 HG22 ILE A 9 22.263 -9.281 -0.612 1.00 63.11 H new ATOM 0 HG23 ILE A 9 23.813 -9.964 -1.156 1.00 63.11 H new ATOM 0 HD11 ILE A 9 25.478 -12.936 -0.203 1.00 64.15 H new ATOM 0 HD12 ILE A 9 24.176 -12.171 -1.145 1.00 64.15 H new ATOM 0 HD13 ILE A 9 25.552 -11.198 -0.575 1.00 64.15 H new ATOM 137 N PRO A 10 26.382 -9.647 1.980 1.00 73.11 N ATOM 138 CA PRO A 10 27.820 -9.732 1.709 1.00 52.23 C ATOM 139 C PRO A 10 28.170 -10.906 0.802 1.00 65.34 C ATOM 140 O PRO A 10 27.724 -12.030 1.027 1.00 75.43 O ATOM 141 CB PRO A 10 28.432 -9.928 3.098 1.00 12.20 C ATOM 142 CG PRO A 10 27.346 -10.551 3.906 1.00 50.32 C ATOM 143 CD PRO A 10 26.058 -9.982 3.377 1.00 63.22 C ATOM 0 HA PRO A 10 28.189 -8.849 1.187 1.00 52.23 H new ATOM 0 HB2 PRO A 10 29.312 -10.570 3.056 1.00 12.20 H new ATOM 0 HB3 PRO A 10 28.750 -8.978 3.528 1.00 12.20 H new ATOM 0 HG2 PRO A 10 27.362 -11.637 3.810 1.00 50.32 H new ATOM 0 HG3 PRO A 10 27.468 -10.323 4.965 1.00 50.32 H new ATOM 0 HD2 PRO A 10 25.244 -10.704 3.439 1.00 63.22 H new ATOM 0 HD3 PRO A 10 25.746 -9.102 3.940 1.00 63.22 H new ATOM 151 N GLU A 11 28.973 -10.637 -0.223 1.00 62.54 N ATOM 152 CA GLU A 11 29.383 -11.674 -1.164 1.00 52.42 C ATOM 153 C GLU A 11 29.878 -12.914 -0.426 1.00 13.02 C ATOM 154 O GLU A 11 30.281 -12.838 0.734 1.00 21.11 O ATOM 155 CB GLU A 11 30.480 -11.147 -2.091 1.00 41.24 C ATOM 156 CG GLU A 11 29.975 -10.752 -3.469 1.00 62.21 C ATOM 157 CD GLU A 11 30.861 -11.270 -4.585 1.00 62.15 C ATOM 158 OE1 GLU A 11 30.827 -12.490 -4.852 1.00 11.13 O ATOM 159 OE2 GLU A 11 31.588 -10.457 -5.192 1.00 44.44 O ATOM 0 H GLU A 11 29.352 -9.711 -0.423 1.00 62.54 H new ATOM 0 HA GLU A 11 28.514 -11.951 -1.761 1.00 52.42 H new ATOM 0 HB2 GLU A 11 30.953 -10.283 -1.625 1.00 41.24 H new ATOM 0 HB3 GLU A 11 31.249 -11.911 -2.201 1.00 41.24 H new ATOM 0 HG2 GLU A 11 28.964 -11.136 -3.605 1.00 62.21 H new ATOM 0 HG3 GLU A 11 29.915 -9.665 -3.532 1.00 62.21 H new ATOM 166 N GLU A 12 29.843 -14.055 -1.108 1.00 15.34 N ATOM 167 CA GLU A 12 30.286 -15.311 -0.516 1.00 21.51 C ATOM 168 C GLU A 12 29.394 -15.705 0.658 1.00 74.23 C ATOM 169 O GLU A 12 29.824 -16.411 1.569 1.00 61.42 O ATOM 170 CB GLU A 12 31.739 -15.197 -0.050 1.00 10.32 C ATOM 171 CG GLU A 12 32.507 -16.506 -0.123 1.00 40.45 C ATOM 172 CD GLU A 12 33.623 -16.586 0.900 1.00 11.31 C ATOM 173 OE1 GLU A 12 33.435 -16.072 2.023 1.00 41.11 O ATOM 174 OE2 GLU A 12 34.683 -17.161 0.579 1.00 64.31 O ATOM 0 H GLU A 12 29.513 -14.135 -2.070 1.00 15.34 H new ATOM 0 HA GLU A 12 30.216 -16.086 -1.279 1.00 21.51 H new ATOM 0 HB2 GLU A 12 32.250 -14.452 -0.660 1.00 10.32 H new ATOM 0 HB3 GLU A 12 31.755 -14.833 0.977 1.00 10.32 H new ATOM 0 HG2 GLU A 12 31.818 -17.336 0.031 1.00 40.45 H new ATOM 0 HG3 GLU A 12 32.926 -16.621 -1.122 1.00 40.45 H new ATOM 181 N ALA A 13 28.148 -15.242 0.628 1.00 63.24 N ATOM 182 CA ALA A 13 27.194 -15.546 1.687 1.00 64.40 C ATOM 183 C ALA A 13 26.727 -16.996 1.606 1.00 43.35 C ATOM 184 O ALA A 13 26.114 -17.407 0.620 1.00 25.21 O ATOM 185 CB ALA A 13 26.004 -14.601 1.613 1.00 23.30 C ATOM 0 H ALA A 13 27.776 -14.655 -0.119 1.00 63.24 H new ATOM 0 HA ALA A 13 27.695 -15.406 2.645 1.00 64.40 H new ATOM 0 HB1 ALA A 13 25.300 -14.840 2.410 1.00 23.30 H new ATOM 0 HB2 ALA A 13 26.348 -13.573 1.729 1.00 23.30 H new ATOM 0 HB3 ALA A 13 25.511 -14.712 0.647 1.00 23.30 H new ATOM 191 N LYS A 14 27.021 -17.767 2.647 1.00 1.41 N ATOM 192 CA LYS A 14 26.631 -19.171 2.695 1.00 42.34 C ATOM 193 C LYS A 14 25.117 -19.311 2.811 1.00 32.21 C ATOM 194 O LYS A 14 24.422 -18.364 3.182 1.00 61.31 O ATOM 195 CB LYS A 14 27.311 -19.871 3.874 1.00 41.45 C ATOM 196 CG LYS A 14 28.644 -20.505 3.517 1.00 22.43 C ATOM 197 CD LYS A 14 28.456 -21.819 2.777 1.00 42.23 C ATOM 198 CE LYS A 14 29.791 -22.427 2.374 1.00 73.33 C ATOM 199 NZ LYS A 14 29.765 -23.915 2.442 1.00 42.31 N ATOM 0 H LYS A 14 27.529 -17.443 3.470 1.00 1.41 H new ATOM 0 HA LYS A 14 26.952 -19.643 1.767 1.00 42.34 H new ATOM 0 HB2 LYS A 14 27.465 -19.148 4.675 1.00 41.45 H new ATOM 0 HB3 LYS A 14 26.644 -20.641 4.263 1.00 41.45 H new ATOM 0 HG2 LYS A 14 29.221 -19.817 2.899 1.00 22.43 H new ATOM 0 HG3 LYS A 14 29.221 -20.677 4.426 1.00 22.43 H new ATOM 0 HD2 LYS A 14 27.912 -22.520 3.410 1.00 42.23 H new ATOM 0 HD3 LYS A 14 27.847 -21.654 1.888 1.00 42.23 H new ATOM 0 HE2 LYS A 14 30.042 -22.114 1.360 1.00 73.33 H new ATOM 0 HE3 LYS A 14 30.576 -22.047 3.028 1.00 73.33 H new ATOM 0 HZ1 LYS A 14 30.693 -24.292 2.160 1.00 42.31 H new ATOM 0 HZ2 LYS A 14 29.551 -24.214 3.415 1.00 42.31 H new ATOM 0 HZ3 LYS A 14 29.034 -24.279 1.799 1.00 42.31 H new ATOM 213 N HIS A 15 24.611 -20.499 2.493 1.00 11.35 N ATOM 214 CA HIS A 15 23.178 -20.763 2.565 1.00 62.21 C ATOM 215 C HIS A 15 22.647 -20.504 3.972 1.00 63.14 C ATOM 216 O HIS A 15 23.050 -21.163 4.929 1.00 24.01 O ATOM 217 CB HIS A 15 22.883 -22.206 2.154 1.00 65.13 C ATOM 218 CG HIS A 15 23.450 -22.576 0.817 1.00 12.43 C ATOM 219 ND1 HIS A 15 24.198 -23.715 0.606 1.00 55.23 N ATOM 220 CD2 HIS A 15 23.373 -21.950 -0.381 1.00 32.15 C ATOM 221 CE1 HIS A 15 24.557 -23.773 -0.664 1.00 63.00 C ATOM 222 NE2 HIS A 15 24.069 -22.714 -1.284 1.00 61.15 N ATOM 0 H HIS A 15 25.171 -21.293 2.183 1.00 11.35 H new ATOM 0 HA HIS A 15 22.674 -20.086 1.875 1.00 62.21 H new ATOM 0 HB2 HIS A 15 23.286 -22.880 2.910 1.00 65.13 H new ATOM 0 HB3 HIS A 15 21.804 -22.357 2.136 1.00 65.13 H new ATOM 0 HD2 HIS A 15 22.860 -21.023 -0.588 1.00 32.15 H new ATOM 0 HE1 HIS A 15 25.149 -24.554 -1.118 1.00 63.00 H new ATOM 0 HE2 HIS A 15 24.190 -22.499 -2.274 1.00 61.15 H new ATOM 230 N GLY A 16 21.740 -19.539 4.088 1.00 5.34 N ATOM 231 CA GLY A 16 21.170 -19.209 5.382 1.00 62.15 C ATOM 232 C GLY A 16 21.703 -17.902 5.934 1.00 23.22 C ATOM 233 O GLY A 16 21.440 -17.552 7.085 1.00 23.13 O ATOM 0 H GLY A 16 21.390 -18.980 3.310 1.00 5.34 H new ATOM 0 HA2 GLY A 16 20.085 -19.147 5.293 1.00 62.15 H new ATOM 0 HA3 GLY A 16 21.386 -20.012 6.086 1.00 62.15 H new ATOM 237 N THR A 17 22.457 -17.178 5.113 1.00 1.40 N ATOM 238 CA THR A 17 23.031 -15.904 5.527 1.00 41.53 C ATOM 239 C THR A 17 21.975 -14.804 5.544 1.00 60.41 C ATOM 240 O THR A 17 21.084 -14.773 4.695 1.00 13.32 O ATOM 241 CB THR A 17 24.183 -15.478 4.597 1.00 23.10 C ATOM 242 OG1 THR A 17 25.257 -16.421 4.685 1.00 4.01 O ATOM 243 CG2 THR A 17 24.689 -14.090 4.962 1.00 74.43 C ATOM 0 H THR A 17 22.684 -17.452 4.157 1.00 1.40 H new ATOM 0 HA THR A 17 23.420 -16.046 6.535 1.00 41.53 H new ATOM 0 HB THR A 17 23.805 -15.452 3.575 1.00 23.10 H new ATOM 0 HG1 THR A 17 25.004 -17.249 4.226 1.00 4.01 H new ATOM 0 HG21 THR A 17 25.502 -13.811 4.292 1.00 74.43 H new ATOM 0 HG22 THR A 17 23.877 -13.370 4.866 1.00 74.43 H new ATOM 0 HG23 THR A 17 25.051 -14.094 5.990 1.00 74.43 H new ATOM 251 N PHE A 18 22.081 -13.904 6.515 1.00 11.32 N ATOM 252 CA PHE A 18 21.134 -12.802 6.643 1.00 60.01 C ATOM 253 C PHE A 18 21.204 -11.881 5.428 1.00 4.14 C ATOM 254 O PHE A 18 22.283 -11.617 4.897 1.00 40.11 O ATOM 255 CB PHE A 18 21.415 -12.005 7.918 1.00 21.25 C ATOM 256 CG PHE A 18 20.742 -10.663 7.947 1.00 1.31 C ATOM 257 CD1 PHE A 18 19.360 -10.565 7.922 1.00 3.01 C ATOM 258 CD2 PHE A 18 21.492 -9.498 7.999 1.00 75.44 C ATOM 259 CE1 PHE A 18 18.738 -9.331 7.949 1.00 72.13 C ATOM 260 CE2 PHE A 18 20.875 -8.262 8.026 1.00 53.11 C ATOM 261 CZ PHE A 18 19.496 -8.178 8.000 1.00 62.14 C ATOM 0 H PHE A 18 22.813 -13.916 7.225 1.00 11.32 H new ATOM 0 HA PHE A 18 20.130 -13.223 6.700 1.00 60.01 H new ATOM 0 HB2 PHE A 18 21.086 -12.586 8.780 1.00 21.25 H new ATOM 0 HB3 PHE A 18 22.491 -11.865 8.020 1.00 21.25 H new ATOM 0 HD1 PHE A 18 18.762 -11.463 7.881 1.00 3.01 H new ATOM 0 HD2 PHE A 18 22.570 -9.557 8.019 1.00 75.44 H new ATOM 0 HE1 PHE A 18 17.660 -9.269 7.930 1.00 72.13 H new ATOM 0 HE2 PHE A 18 21.470 -7.362 8.067 1.00 53.11 H new ATOM 0 HZ PHE A 18 19.012 -7.213 8.020 1.00 62.14 H new ATOM 271 N VAL A 19 20.046 -11.395 4.994 1.00 50.21 N ATOM 272 CA VAL A 19 19.975 -10.503 3.843 1.00 52.13 C ATOM 273 C VAL A 19 19.173 -9.248 4.169 1.00 52.03 C ATOM 274 O VAL A 19 19.515 -8.149 3.733 1.00 31.43 O ATOM 275 CB VAL A 19 19.339 -11.204 2.628 1.00 72.12 C ATOM 276 CG1 VAL A 19 19.468 -10.339 1.384 1.00 53.44 C ATOM 277 CG2 VAL A 19 19.975 -12.568 2.407 1.00 45.12 C ATOM 0 H VAL A 19 19.144 -11.604 5.422 1.00 50.21 H new ATOM 0 HA VAL A 19 20.999 -10.223 3.596 1.00 52.13 H new ATOM 0 HB VAL A 19 18.278 -11.351 2.830 1.00 72.12 H new ATOM 0 HG11 VAL A 19 19.013 -10.851 0.536 1.00 53.44 H new ATOM 0 HG12 VAL A 19 18.961 -9.388 1.548 1.00 53.44 H new ATOM 0 HG13 VAL A 19 20.522 -10.157 1.175 1.00 53.44 H new ATOM 0 HG21 VAL A 19 19.514 -13.049 1.545 1.00 45.12 H new ATOM 0 HG22 VAL A 19 21.043 -12.446 2.226 1.00 45.12 H new ATOM 0 HG23 VAL A 19 19.825 -13.187 3.291 1.00 45.12 H new ATOM 287 N GLY A 20 18.103 -9.419 4.939 1.00 33.40 N ATOM 288 CA GLY A 20 17.268 -8.292 5.311 1.00 1.11 C ATOM 289 C GLY A 20 15.871 -8.715 5.720 1.00 2.33 C ATOM 290 O GLY A 20 15.378 -9.756 5.286 1.00 4.02 O ATOM 0 H GLY A 20 17.799 -10.318 5.312 1.00 33.40 H new ATOM 0 HA2 GLY A 20 17.737 -7.753 6.134 1.00 1.11 H new ATOM 0 HA3 GLY A 20 17.203 -7.599 4.472 1.00 1.11 H new ATOM 294 N ARG A 21 15.232 -7.906 6.559 1.00 30.34 N ATOM 295 CA ARG A 21 13.884 -8.204 7.030 1.00 45.23 C ATOM 296 C ARG A 21 12.861 -7.987 5.919 1.00 32.01 C ATOM 297 O ARG A 21 12.174 -6.966 5.886 1.00 52.33 O ATOM 298 CB ARG A 21 13.537 -7.329 8.236 1.00 64.03 C ATOM 299 CG ARG A 21 14.507 -7.479 9.396 1.00 5.02 C ATOM 300 CD ARG A 21 14.496 -6.252 10.294 1.00 14.13 C ATOM 301 NE ARG A 21 15.697 -5.439 10.126 1.00 52.53 N ATOM 302 CZ ARG A 21 16.863 -5.724 10.693 1.00 3.04 C ATOM 303 NH1 ARG A 21 16.985 -6.797 11.462 1.00 22.31 N ATOM 304 NH2 ARG A 21 17.911 -4.935 10.492 1.00 21.13 N ATOM 0 H ARG A 21 15.626 -7.040 6.926 1.00 30.34 H new ATOM 0 HA ARG A 21 13.853 -9.252 7.330 1.00 45.23 H new ATOM 0 HB2 ARG A 21 13.517 -6.285 7.923 1.00 64.03 H new ATOM 0 HB3 ARG A 21 12.533 -7.579 8.578 1.00 64.03 H new ATOM 0 HG2 ARG A 21 14.244 -8.361 9.980 1.00 5.02 H new ATOM 0 HG3 ARG A 21 15.514 -7.640 9.011 1.00 5.02 H new ATOM 0 HD2 ARG A 21 13.616 -5.648 10.072 1.00 14.13 H new ATOM 0 HD3 ARG A 21 14.413 -6.565 11.335 1.00 14.13 H new ATOM 0 HE ARG A 21 15.637 -4.606 9.541 1.00 52.53 H new ATOM 0 HH11 ARG A 21 16.182 -7.406 11.619 1.00 22.31 H new ATOM 0 HH12 ARG A 21 17.882 -7.014 11.896 1.00 22.31 H new ATOM 0 HH21 ARG A 21 17.821 -4.108 9.901 1.00 21.13 H new ATOM 0 HH22 ARG A 21 18.806 -5.155 10.928 1.00 21.13 H new ATOM 318 N ILE A 22 12.766 -8.954 5.012 1.00 14.44 N ATOM 319 CA ILE A 22 11.826 -8.868 3.901 1.00 32.35 C ATOM 320 C ILE A 22 10.425 -8.517 4.392 1.00 44.32 C ATOM 321 O ILE A 22 9.717 -7.728 3.766 1.00 63.50 O ATOM 322 CB ILE A 22 11.765 -10.190 3.113 1.00 13.11 C ATOM 323 CG1 ILE A 22 10.582 -10.176 2.143 1.00 34.20 C ATOM 324 CG2 ILE A 22 11.661 -11.371 4.066 1.00 24.14 C ATOM 325 CD1 ILE A 22 9.341 -10.843 2.694 1.00 72.41 C ATOM 0 H ILE A 22 13.328 -9.805 5.025 1.00 14.44 H new ATOM 0 HA ILE A 22 12.186 -8.078 3.243 1.00 32.35 H new ATOM 0 HB ILE A 22 12.684 -10.294 2.536 1.00 13.11 H new ATOM 0 HG12 ILE A 22 10.346 -9.143 1.886 1.00 34.20 H new ATOM 0 HG13 ILE A 22 10.874 -10.676 1.219 1.00 34.20 H new ATOM 0 HG21 ILE A 22 11.619 -12.298 3.494 1.00 24.14 H new ATOM 0 HG22 ILE A 22 12.532 -11.388 4.721 1.00 24.14 H new ATOM 0 HG23 ILE A 22 10.757 -11.275 4.668 1.00 24.14 H new ATOM 0 HD11 ILE A 22 8.543 -10.796 1.953 1.00 72.41 H new ATOM 0 HD12 ILE A 22 9.560 -11.885 2.925 1.00 72.41 H new ATOM 0 HD13 ILE A 22 9.024 -10.329 3.602 1.00 72.41 H new ATOM 337 N ALA A 23 10.033 -9.106 5.517 1.00 50.24 N ATOM 338 CA ALA A 23 8.719 -8.852 6.094 1.00 52.23 C ATOM 339 C ALA A 23 8.635 -7.443 6.670 1.00 3.52 C ATOM 340 O ALA A 23 7.705 -6.695 6.371 1.00 13.24 O ATOM 341 CB ALA A 23 8.406 -9.883 7.168 1.00 51.11 C ATOM 0 H ALA A 23 10.607 -9.762 6.047 1.00 50.24 H new ATOM 0 HA ALA A 23 7.978 -8.936 5.299 1.00 52.23 H new ATOM 0 HB1 ALA A 23 7.422 -9.681 7.590 1.00 51.11 H new ATOM 0 HB2 ALA A 23 8.415 -10.880 6.728 1.00 51.11 H new ATOM 0 HB3 ALA A 23 9.157 -9.827 7.956 1.00 51.11 H new ATOM 347 N GLN A 24 9.613 -7.088 7.498 1.00 41.35 N ATOM 348 CA GLN A 24 9.648 -5.768 8.117 1.00 41.05 C ATOM 349 C GLN A 24 9.579 -4.670 7.061 1.00 52.52 C ATOM 350 O GLN A 24 8.880 -3.671 7.235 1.00 73.24 O ATOM 351 CB GLN A 24 10.918 -5.608 8.954 1.00 42.33 C ATOM 352 CG GLN A 24 10.837 -4.484 9.974 1.00 15.20 C ATOM 353 CD GLN A 24 10.794 -4.993 11.401 1.00 31.22 C ATOM 354 OE1 GLN A 24 11.580 -5.859 11.787 1.00 13.14 O ATOM 355 NE2 GLN A 24 9.873 -4.457 12.194 1.00 23.21 N ATOM 0 H GLN A 24 10.391 -7.696 7.755 1.00 41.35 H new ATOM 0 HA GLN A 24 8.778 -5.676 8.768 1.00 41.05 H new ATOM 0 HB2 GLN A 24 11.121 -6.545 9.473 1.00 42.33 H new ATOM 0 HB3 GLN A 24 11.761 -5.423 8.288 1.00 42.33 H new ATOM 0 HG2 GLN A 24 11.697 -3.826 9.853 1.00 15.20 H new ATOM 0 HG3 GLN A 24 9.947 -3.885 9.779 1.00 15.20 H new ATOM 0 HE21 GLN A 24 9.242 -3.742 11.832 1.00 23.21 H new ATOM 0 HE22 GLN A 24 9.797 -4.761 13.165 1.00 23.21 H new ATOM 364 N ASP A 25 10.308 -4.860 5.967 1.00 21.40 N ATOM 365 CA ASP A 25 10.329 -3.886 4.882 1.00 11.13 C ATOM 366 C ASP A 25 9.015 -3.908 4.107 1.00 2.40 C ATOM 367 O ASP A 25 8.629 -2.913 3.491 1.00 31.31 O ATOM 368 CB ASP A 25 11.498 -4.168 3.937 1.00 11.12 C ATOM 369 CG ASP A 25 12.521 -3.049 3.932 1.00 60.21 C ATOM 370 OD1 ASP A 25 12.736 -2.437 4.999 1.00 73.22 O ATOM 371 OD2 ASP A 25 13.106 -2.785 2.861 1.00 64.04 O ATOM 0 H ASP A 25 10.893 -5.680 5.808 1.00 21.40 H new ATOM 0 HA ASP A 25 10.456 -2.895 5.318 1.00 11.13 H new ATOM 0 HB2 ASP A 25 11.983 -5.099 4.231 1.00 11.12 H new ATOM 0 HB3 ASP A 25 11.117 -4.313 2.926 1.00 11.12 H new ATOM 376 N LEU A 26 8.333 -5.047 4.141 1.00 63.14 N ATOM 377 CA LEU A 26 7.063 -5.199 3.440 1.00 34.33 C ATOM 378 C LEU A 26 5.929 -4.542 4.220 1.00 12.43 C ATOM 379 O LEU A 26 5.042 -3.918 3.639 1.00 32.00 O ATOM 380 CB LEU A 26 6.753 -6.681 3.220 1.00 22.14 C ATOM 381 CG LEU A 26 6.969 -7.209 1.801 1.00 2.55 C ATOM 382 CD1 LEU A 26 8.387 -6.917 1.334 1.00 74.43 C ATOM 383 CD2 LEU A 26 6.681 -8.701 1.738 1.00 74.33 C ATOM 0 H LEU A 26 8.638 -5.879 4.646 1.00 63.14 H new ATOM 0 HA LEU A 26 7.149 -4.704 2.472 1.00 34.33 H new ATOM 0 HB2 LEU A 26 7.371 -7.266 3.902 1.00 22.14 H new ATOM 0 HB3 LEU A 26 5.714 -6.859 3.498 1.00 22.14 H new ATOM 0 HG LEU A 26 6.276 -6.697 1.133 1.00 2.55 H new ATOM 0 HD11 LEU A 26 8.523 -7.300 0.322 1.00 74.43 H new ATOM 0 HD12 LEU A 26 8.558 -5.841 1.341 1.00 74.43 H new ATOM 0 HD13 LEU A 26 9.098 -7.401 2.004 1.00 74.43 H new ATOM 0 HD21 LEU A 26 6.840 -9.060 0.721 1.00 74.33 H new ATOM 0 HD22 LEU A 26 7.349 -9.230 2.418 1.00 74.33 H new ATOM 0 HD23 LEU A 26 5.647 -8.885 2.030 1.00 74.33 H new ATOM 395 N GLY A 27 5.966 -4.684 5.542 1.00 51.11 N ATOM 396 CA GLY A 27 4.937 -4.096 6.380 1.00 24.54 C ATOM 397 C GLY A 27 3.765 -5.031 6.600 1.00 34.22 C ATOM 398 O GLY A 27 2.608 -4.632 6.460 1.00 52.14 O ATOM 0 H GLY A 27 6.690 -5.195 6.047 1.00 51.11 H new ATOM 0 HA2 GLY A 27 5.368 -3.826 7.344 1.00 24.54 H new ATOM 0 HA3 GLY A 27 4.581 -3.174 5.920 1.00 24.54 H new ATOM 402 N LEU A 28 4.062 -6.279 6.945 1.00 75.45 N ATOM 403 CA LEU A 28 3.022 -7.275 7.183 1.00 63.23 C ATOM 404 C LEU A 28 3.215 -7.950 8.537 1.00 63.43 C ATOM 405 O LEU A 28 4.083 -7.560 9.317 1.00 62.41 O ATOM 406 CB LEU A 28 3.030 -8.325 6.071 1.00 64.45 C ATOM 407 CG LEU A 28 3.750 -7.931 4.780 1.00 34.01 C ATOM 408 CD1 LEU A 28 3.831 -9.116 3.831 1.00 60.33 C ATOM 409 CD2 LEU A 28 3.045 -6.759 4.113 1.00 14.24 C ATOM 0 H LEU A 28 5.014 -6.626 7.066 1.00 75.45 H new ATOM 0 HA LEU A 28 2.059 -6.765 7.186 1.00 63.23 H new ATOM 0 HB2 LEU A 28 3.493 -9.232 6.459 1.00 64.45 H new ATOM 0 HB3 LEU A 28 1.997 -8.574 5.826 1.00 64.45 H new ATOM 0 HG LEU A 28 4.765 -7.624 5.032 1.00 34.01 H new ATOM 0 HD11 LEU A 28 4.346 -8.817 2.918 1.00 60.33 H new ATOM 0 HD12 LEU A 28 4.380 -9.928 4.308 1.00 60.33 H new ATOM 0 HD13 LEU A 28 2.825 -9.455 3.585 1.00 60.33 H new ATOM 0 HD21 LEU A 28 3.571 -6.492 3.196 1.00 14.24 H new ATOM 0 HD22 LEU A 28 2.019 -7.039 3.874 1.00 14.24 H new ATOM 0 HD23 LEU A 28 3.040 -5.905 4.790 1.00 14.24 H new ATOM 421 N GLU A 29 2.401 -8.966 8.807 1.00 23.12 N ATOM 422 CA GLU A 29 2.484 -9.696 10.067 1.00 62.13 C ATOM 423 C GLU A 29 3.199 -11.031 9.876 1.00 11.21 C ATOM 424 O GLU A 29 3.018 -11.705 8.861 1.00 22.55 O ATOM 425 CB GLU A 29 1.085 -9.932 10.638 1.00 14.34 C ATOM 426 CG GLU A 29 0.917 -9.432 12.063 1.00 11.43 C ATOM 427 CD GLU A 29 0.436 -10.515 13.009 1.00 24.11 C ATOM 428 OE1 GLU A 29 -0.703 -10.995 12.830 1.00 23.15 O ATOM 429 OE2 GLU A 29 1.198 -10.883 13.927 1.00 5.34 O ATOM 0 H GLU A 29 1.678 -9.302 8.171 1.00 23.12 H new ATOM 0 HA GLU A 29 3.059 -9.093 10.770 1.00 62.13 H new ATOM 0 HB2 GLU A 29 0.353 -9.437 10.000 1.00 14.34 H new ATOM 0 HB3 GLU A 29 0.865 -10.999 10.608 1.00 14.34 H new ATOM 0 HG2 GLU A 29 1.869 -9.039 12.421 1.00 11.43 H new ATOM 0 HG3 GLU A 29 0.207 -8.605 12.072 1.00 11.43 H new ATOM 436 N LEU A 30 4.012 -11.405 10.858 1.00 75.41 N ATOM 437 CA LEU A 30 4.755 -12.659 10.799 1.00 31.25 C ATOM 438 C LEU A 30 3.816 -13.855 10.922 1.00 21.14 C ATOM 439 O LEU A 30 4.097 -14.935 10.402 1.00 74.34 O ATOM 440 CB LEU A 30 5.805 -12.705 11.911 1.00 42.54 C ATOM 441 CG LEU A 30 7.250 -12.921 11.460 1.00 62.21 C ATOM 442 CD1 LEU A 30 7.433 -14.328 10.913 1.00 64.33 C ATOM 443 CD2 LEU A 30 7.645 -11.886 10.417 1.00 55.22 C ATOM 0 H LEU A 30 4.173 -10.858 11.704 1.00 75.41 H new ATOM 0 HA LEU A 30 5.255 -12.711 9.832 1.00 31.25 H new ATOM 0 HB2 LEU A 30 5.755 -11.770 12.469 1.00 42.54 H new ATOM 0 HB3 LEU A 30 5.538 -13.504 12.603 1.00 42.54 H new ATOM 0 HG LEU A 30 7.902 -12.801 12.325 1.00 62.21 H new ATOM 0 HD11 LEU A 30 8.467 -14.464 10.597 1.00 64.33 H new ATOM 0 HD12 LEU A 30 7.193 -15.054 11.689 1.00 64.33 H new ATOM 0 HD13 LEU A 30 6.771 -14.476 10.060 1.00 64.33 H new ATOM 0 HD21 LEU A 30 8.676 -12.056 10.108 1.00 55.22 H new ATOM 0 HD22 LEU A 30 6.988 -11.973 9.551 1.00 55.22 H new ATOM 0 HD23 LEU A 30 7.554 -10.887 10.843 1.00 55.22 H new ATOM 455 N THR A 31 2.698 -13.655 11.613 1.00 1.24 N ATOM 456 CA THR A 31 1.717 -14.716 11.804 1.00 0.50 C ATOM 457 C THR A 31 0.609 -14.634 10.760 1.00 64.11 C ATOM 458 O THR A 31 -0.341 -15.415 10.788 1.00 21.35 O ATOM 459 CB THR A 31 1.088 -14.653 13.209 1.00 62.42 C ATOM 460 OG1 THR A 31 2.038 -14.139 14.148 1.00 4.15 O ATOM 461 CG2 THR A 31 0.622 -16.031 13.654 1.00 32.13 C ATOM 0 H THR A 31 2.449 -12.767 12.050 1.00 1.24 H new ATOM 0 HA THR A 31 2.248 -15.661 11.694 1.00 0.50 H new ATOM 0 HB THR A 31 0.224 -13.990 13.168 1.00 62.42 H new ATOM 0 HG1 THR A 31 1.630 -14.100 15.038 1.00 4.15 H new ATOM 0 HG21 THR A 31 0.181 -15.962 14.649 1.00 32.13 H new ATOM 0 HG22 THR A 31 -0.122 -16.407 12.952 1.00 32.13 H new ATOM 0 HG23 THR A 31 1.473 -16.712 13.680 1.00 32.13 H new ATOM 469 N GLU A 32 0.739 -13.684 9.839 1.00 61.21 N ATOM 470 CA GLU A 32 -0.253 -13.502 8.786 1.00 44.05 C ATOM 471 C GLU A 32 0.250 -14.070 7.461 1.00 12.22 C ATOM 472 O GLU A 32 -0.506 -14.186 6.496 1.00 72.23 O ATOM 473 CB GLU A 32 -0.589 -12.018 8.622 1.00 23.20 C ATOM 474 CG GLU A 32 -1.540 -11.489 9.682 1.00 23.24 C ATOM 475 CD GLU A 32 -2.975 -11.915 9.443 1.00 14.40 C ATOM 476 OE1 GLU A 32 -3.647 -11.289 8.596 1.00 23.30 O ATOM 477 OE2 GLU A 32 -3.427 -12.874 10.103 1.00 12.33 O ATOM 0 H GLU A 32 1.520 -13.030 9.801 1.00 61.21 H new ATOM 0 HA GLU A 32 -1.155 -14.042 9.075 1.00 44.05 H new ATOM 0 HB2 GLU A 32 0.334 -11.439 8.653 1.00 23.20 H new ATOM 0 HB3 GLU A 32 -1.031 -11.861 7.638 1.00 23.20 H new ATOM 0 HG2 GLU A 32 -1.219 -11.842 10.662 1.00 23.24 H new ATOM 0 HG3 GLU A 32 -1.487 -10.400 9.702 1.00 23.24 H new ATOM 484 N LEU A 33 1.530 -14.421 7.423 1.00 63.31 N ATOM 485 CA LEU A 33 2.136 -14.977 6.217 1.00 14.44 C ATOM 486 C LEU A 33 1.551 -16.349 5.897 1.00 51.51 C ATOM 487 O LEU A 33 1.255 -16.654 4.742 1.00 60.53 O ATOM 488 CB LEU A 33 3.652 -15.083 6.387 1.00 42.11 C ATOM 489 CG LEU A 33 4.395 -13.767 6.620 1.00 23.14 C ATOM 490 CD1 LEU A 33 5.543 -13.968 7.598 1.00 35.22 C ATOM 491 CD2 LEU A 33 4.907 -13.203 5.303 1.00 5.22 C ATOM 0 H LEU A 33 2.169 -14.331 8.213 1.00 63.31 H new ATOM 0 HA LEU A 33 1.916 -14.306 5.387 1.00 14.44 H new ATOM 0 HB2 LEU A 33 3.858 -15.747 7.227 1.00 42.11 H new ATOM 0 HB3 LEU A 33 4.065 -15.558 5.497 1.00 42.11 H new ATOM 0 HG LEU A 33 3.697 -13.050 7.053 1.00 23.14 H new ATOM 0 HD11 LEU A 33 6.060 -13.021 7.752 1.00 35.22 H new ATOM 0 HD12 LEU A 33 5.151 -14.326 8.550 1.00 35.22 H new ATOM 0 HD13 LEU A 33 6.241 -14.701 7.194 1.00 35.22 H new ATOM 0 HD21 LEU A 33 5.433 -12.266 5.488 1.00 5.22 H new ATOM 0 HD22 LEU A 33 5.589 -13.917 4.842 1.00 5.22 H new ATOM 0 HD23 LEU A 33 4.066 -13.021 4.634 1.00 5.22 H new ATOM 503 N VAL A 34 1.385 -17.171 6.928 1.00 51.01 N ATOM 504 CA VAL A 34 0.832 -18.509 6.757 1.00 62.30 C ATOM 505 C VAL A 34 -0.493 -18.465 6.004 1.00 2.42 C ATOM 506 O VAL A 34 -0.657 -19.078 4.950 1.00 72.33 O ATOM 507 CB VAL A 34 0.616 -19.205 8.114 1.00 13.32 C ATOM 508 CG1 VAL A 34 -0.562 -20.165 8.041 1.00 44.14 C ATOM 509 CG2 VAL A 34 1.880 -19.931 8.548 1.00 42.31 C ATOM 0 H VAL A 34 1.626 -16.934 7.890 1.00 51.01 H new ATOM 0 HA VAL A 34 1.557 -19.079 6.176 1.00 62.30 H new ATOM 0 HB VAL A 34 0.388 -18.444 8.860 1.00 13.32 H new ATOM 0 HG11 VAL A 34 -0.699 -20.647 9.009 1.00 44.14 H new ATOM 0 HG12 VAL A 34 -1.465 -19.614 7.779 1.00 44.14 H new ATOM 0 HG13 VAL A 34 -0.367 -20.923 7.282 1.00 44.14 H new ATOM 0 HG21 VAL A 34 1.709 -20.417 9.509 1.00 42.31 H new ATOM 0 HG22 VAL A 34 2.142 -20.682 7.803 1.00 42.31 H new ATOM 0 HG23 VAL A 34 2.696 -19.215 8.644 1.00 42.31 H new ATOM 519 N PRO A 35 -1.462 -17.720 6.557 1.00 73.33 N ATOM 520 CA PRO A 35 -2.791 -17.576 5.954 1.00 63.44 C ATOM 521 C PRO A 35 -2.758 -16.756 4.669 1.00 51.13 C ATOM 522 O PRO A 35 -3.705 -16.780 3.882 1.00 44.32 O ATOM 523 CB PRO A 35 -3.593 -16.847 7.034 1.00 54.24 C ATOM 524 CG PRO A 35 -2.574 -16.107 7.829 1.00 64.31 C ATOM 525 CD PRO A 35 -1.336 -16.962 7.812 1.00 13.44 C ATOM 0 HA PRO A 35 -3.215 -18.538 5.666 1.00 63.44 H new ATOM 0 HB2 PRO A 35 -4.322 -16.167 6.594 1.00 54.24 H new ATOM 0 HB3 PRO A 35 -4.147 -17.549 7.657 1.00 54.24 H new ATOM 0 HG2 PRO A 35 -2.377 -15.126 7.396 1.00 64.31 H new ATOM 0 HG3 PRO A 35 -2.920 -15.941 8.849 1.00 64.31 H new ATOM 0 HD2 PRO A 35 -0.430 -16.357 7.827 1.00 13.44 H new ATOM 0 HD3 PRO A 35 -1.292 -17.623 8.678 1.00 13.44 H new ATOM 533 N ARG A 36 -1.663 -16.031 4.462 1.00 32.52 N ATOM 534 CA ARG A 36 -1.508 -15.203 3.273 1.00 73.14 C ATOM 535 C ARG A 36 -0.854 -15.992 2.142 1.00 32.11 C ATOM 536 O ARG A 36 -0.535 -15.439 1.089 1.00 70.45 O ATOM 537 CB ARG A 36 -0.672 -13.963 3.594 1.00 62.21 C ATOM 538 CG ARG A 36 -1.486 -12.807 4.151 1.00 41.21 C ATOM 539 CD ARG A 36 -0.619 -11.582 4.396 1.00 25.13 C ATOM 540 NE ARG A 36 -1.397 -10.347 4.374 1.00 10.30 N ATOM 541 CZ ARG A 36 -0.868 -9.148 4.155 1.00 64.35 C ATOM 542 NH1 ARG A 36 0.435 -9.025 3.939 1.00 13.41 N ATOM 543 NH2 ARG A 36 -1.642 -8.071 4.150 1.00 44.53 N ATOM 0 H ARG A 36 -0.870 -16.001 5.103 1.00 32.52 H new ATOM 0 HA ARG A 36 -2.500 -14.890 2.948 1.00 73.14 H new ATOM 0 HB2 ARG A 36 0.100 -14.233 4.314 1.00 62.21 H new ATOM 0 HB3 ARG A 36 -0.163 -13.634 2.688 1.00 62.21 H new ATOM 0 HG2 ARG A 36 -2.286 -12.555 3.454 1.00 41.21 H new ATOM 0 HG3 ARG A 36 -1.960 -13.111 5.084 1.00 41.21 H new ATOM 0 HD2 ARG A 36 -0.120 -11.678 5.360 1.00 25.13 H new ATOM 0 HD3 ARG A 36 0.161 -11.532 3.636 1.00 25.13 H new ATOM 0 HE ARG A 36 -2.402 -10.408 4.536 1.00 10.30 H new ATOM 0 HH11 ARG A 36 1.033 -9.852 3.941 1.00 13.41 H new ATOM 0 HH12 ARG A 36 0.839 -8.104 3.771 1.00 13.41 H new ATOM 0 HH21 ARG A 36 -2.644 -8.163 4.314 1.00 44.53 H new ATOM 0 HH22 ARG A 36 -1.235 -7.151 3.982 1.00 44.53 H new ATOM 557 N LEU A 37 -0.657 -17.286 2.368 1.00 71.20 N ATOM 558 CA LEU A 37 -0.041 -18.152 1.369 1.00 65.12 C ATOM 559 C LEU A 37 1.218 -17.510 0.794 1.00 52.13 C ATOM 560 O LEU A 37 1.335 -17.326 -0.418 1.00 4.21 O ATOM 561 CB LEU A 37 -1.033 -18.453 0.244 1.00 22.22 C ATOM 562 CG LEU A 37 -1.993 -19.617 0.490 1.00 32.23 C ATOM 563 CD1 LEU A 37 -1.225 -20.922 0.635 1.00 0.44 C ATOM 564 CD2 LEU A 37 -2.842 -19.356 1.726 1.00 54.12 C ATOM 0 H LEU A 37 -0.915 -17.759 3.234 1.00 71.20 H new ATOM 0 HA LEU A 37 0.239 -19.086 1.857 1.00 65.12 H new ATOM 0 HB2 LEU A 37 -1.622 -17.555 0.057 1.00 22.22 H new ATOM 0 HB3 LEU A 37 -0.469 -18.659 -0.665 1.00 22.22 H new ATOM 0 HG LEU A 37 -2.656 -19.703 -0.371 1.00 32.23 H new ATOM 0 HD11 LEU A 37 -1.925 -21.739 0.810 1.00 0.44 H new ATOM 0 HD12 LEU A 37 -0.661 -21.116 -0.278 1.00 0.44 H new ATOM 0 HD13 LEU A 37 -0.537 -20.848 1.477 1.00 0.44 H new ATOM 0 HD21 LEU A 37 -3.519 -20.195 1.886 1.00 54.12 H new ATOM 0 HD22 LEU A 37 -2.194 -19.242 2.595 1.00 54.12 H new ATOM 0 HD23 LEU A 37 -3.421 -18.444 1.583 1.00 54.12 H new ATOM 576 N PHE A 38 2.157 -17.173 1.671 1.00 45.42 N ATOM 577 CA PHE A 38 3.408 -16.552 1.250 1.00 24.14 C ATOM 578 C PHE A 38 4.246 -17.523 0.424 1.00 63.30 C ATOM 579 O PHE A 38 4.281 -18.722 0.702 1.00 75.22 O ATOM 580 CB PHE A 38 4.205 -16.084 2.470 1.00 40.41 C ATOM 581 CG PHE A 38 4.857 -14.744 2.281 1.00 13.54 C ATOM 582 CD1 PHE A 38 4.094 -13.588 2.238 1.00 11.40 C ATOM 583 CD2 PHE A 38 6.232 -14.640 2.148 1.00 11.33 C ATOM 584 CE1 PHE A 38 4.691 -12.353 2.064 1.00 61.41 C ATOM 585 CE2 PHE A 38 6.835 -13.408 1.974 1.00 33.04 C ATOM 586 CZ PHE A 38 6.063 -12.263 1.933 1.00 22.32 C ATOM 0 H PHE A 38 2.076 -17.319 2.677 1.00 45.42 H new ATOM 0 HA PHE A 38 3.166 -15.689 0.629 1.00 24.14 H new ATOM 0 HB2 PHE A 38 3.540 -16.037 3.333 1.00 40.41 H new ATOM 0 HB3 PHE A 38 4.972 -16.824 2.699 1.00 40.41 H new ATOM 0 HD1 PHE A 38 3.021 -13.652 2.342 1.00 11.40 H new ATOM 0 HD2 PHE A 38 6.840 -15.532 2.181 1.00 11.33 H new ATOM 0 HE1 PHE A 38 4.085 -11.460 2.031 1.00 61.41 H new ATOM 0 HE2 PHE A 38 7.908 -13.341 1.870 1.00 33.04 H new ATOM 0 HZ PHE A 38 6.532 -11.299 1.799 1.00 22.32 H new ATOM 596 N ARG A 39 4.920 -16.997 -0.593 1.00 42.52 N ATOM 597 CA ARG A 39 5.757 -17.816 -1.462 1.00 34.13 C ATOM 598 C ARG A 39 6.837 -16.972 -2.130 1.00 43.45 C ATOM 599 O ARG A 39 6.662 -15.771 -2.338 1.00 50.21 O ATOM 600 CB ARG A 39 4.901 -18.506 -2.526 1.00 45.54 C ATOM 601 CG ARG A 39 5.421 -19.875 -2.932 1.00 62.02 C ATOM 602 CD ARG A 39 4.555 -20.502 -4.013 1.00 54.00 C ATOM 603 NE ARG A 39 3.614 -21.476 -3.464 1.00 44.44 N ATOM 604 CZ ARG A 39 3.961 -22.702 -3.091 1.00 70.53 C ATOM 605 NH1 ARG A 39 5.219 -23.103 -3.207 1.00 24.41 N ATOM 606 NH2 ARG A 39 3.048 -23.531 -2.601 1.00 12.11 N ATOM 0 H ARG A 39 4.903 -16.006 -0.836 1.00 42.52 H new ATOM 0 HA ARG A 39 6.243 -18.575 -0.848 1.00 34.13 H new ATOM 0 HB2 ARG A 39 3.883 -18.610 -2.150 1.00 45.54 H new ATOM 0 HB3 ARG A 39 4.851 -17.869 -3.409 1.00 45.54 H new ATOM 0 HG2 ARG A 39 6.446 -19.784 -3.293 1.00 62.02 H new ATOM 0 HG3 ARG A 39 5.447 -20.529 -2.060 1.00 62.02 H new ATOM 0 HD2 ARG A 39 4.004 -19.720 -4.535 1.00 54.00 H new ATOM 0 HD3 ARG A 39 5.192 -20.990 -4.751 1.00 54.00 H new ATOM 0 HE ARG A 39 2.638 -21.199 -3.362 1.00 44.44 H new ATOM 0 HH11 ARG A 39 5.924 -22.469 -3.584 1.00 24.41 H new ATOM 0 HH12 ARG A 39 5.482 -24.046 -2.920 1.00 24.41 H new ATOM 0 HH21 ARG A 39 2.079 -23.226 -2.511 1.00 12.11 H new ATOM 0 HH22 ARG A 39 3.316 -24.473 -2.315 1.00 12.11 H new ATOM 620 N VAL A 40 7.956 -17.608 -2.465 1.00 53.50 N ATOM 621 CA VAL A 40 9.065 -16.915 -3.111 1.00 32.55 C ATOM 622 C VAL A 40 9.466 -17.610 -4.407 1.00 51.11 C ATOM 623 O VAL A 40 9.419 -18.836 -4.507 1.00 3.42 O ATOM 624 CB VAL A 40 10.292 -16.835 -2.183 1.00 40.13 C ATOM 625 CG1 VAL A 40 11.448 -16.138 -2.886 1.00 35.52 C ATOM 626 CG2 VAL A 40 9.935 -16.120 -0.889 1.00 3.21 C ATOM 0 H VAL A 40 8.118 -18.601 -2.300 1.00 53.50 H new ATOM 0 HA VAL A 40 8.721 -15.905 -3.335 1.00 32.55 H new ATOM 0 HB VAL A 40 10.606 -17.849 -1.936 1.00 40.13 H new ATOM 0 HG11 VAL A 40 12.306 -16.090 -2.216 1.00 35.52 H new ATOM 0 HG12 VAL A 40 11.718 -16.696 -3.782 1.00 35.52 H new ATOM 0 HG13 VAL A 40 11.149 -15.128 -3.164 1.00 35.52 H new ATOM 0 HG21 VAL A 40 10.813 -16.072 -0.245 1.00 3.21 H new ATOM 0 HG22 VAL A 40 9.595 -15.109 -1.114 1.00 3.21 H new ATOM 0 HG23 VAL A 40 9.141 -16.665 -0.379 1.00 3.21 H new ATOM 636 N ALA A 41 9.860 -16.818 -5.399 1.00 5.24 N ATOM 637 CA ALA A 41 10.272 -17.356 -6.689 1.00 25.41 C ATOM 638 C ALA A 41 10.964 -16.291 -7.533 1.00 23.22 C ATOM 639 O ALA A 41 11.095 -15.142 -7.113 1.00 4.50 O ATOM 640 CB ALA A 41 9.072 -17.923 -7.432 1.00 32.42 C ATOM 0 H ALA A 41 9.902 -15.801 -5.333 1.00 5.24 H new ATOM 0 HA ALA A 41 10.986 -18.159 -6.508 1.00 25.41 H new ATOM 0 HB1 ALA A 41 9.395 -18.321 -8.394 1.00 32.42 H new ATOM 0 HB2 ALA A 41 8.622 -18.721 -6.841 1.00 32.42 H new ATOM 0 HB3 ALA A 41 8.338 -17.134 -7.594 1.00 32.42 H new ATOM 646 N SER A 42 11.406 -16.681 -8.724 1.00 61.41 N ATOM 647 CA SER A 42 12.089 -15.761 -9.625 1.00 40.43 C ATOM 648 C SER A 42 11.877 -16.168 -11.080 1.00 45.54 C ATOM 649 O SER A 42 11.578 -17.324 -11.377 1.00 64.50 O ATOM 650 CB SER A 42 13.585 -15.718 -9.308 1.00 20.50 C ATOM 651 OG SER A 42 14.356 -16.105 -10.433 1.00 10.45 O ATOM 0 H SER A 42 11.303 -17.628 -9.087 1.00 61.41 H new ATOM 0 HA SER A 42 11.666 -14.767 -9.478 1.00 40.43 H new ATOM 0 HB2 SER A 42 13.866 -14.711 -9.000 1.00 20.50 H new ATOM 0 HB3 SER A 42 13.802 -16.380 -8.470 1.00 20.50 H new ATOM 0 HG SER A 42 14.915 -15.353 -10.721 1.00 10.45 H new ATOM 657 N LYS A 43 12.035 -15.208 -11.985 1.00 50.54 N ATOM 658 CA LYS A 43 11.863 -15.463 -13.411 1.00 21.24 C ATOM 659 C LYS A 43 13.165 -15.954 -14.036 1.00 40.52 C ATOM 660 O LYS A 43 13.156 -16.600 -15.084 1.00 44.42 O ATOM 661 CB LYS A 43 11.388 -14.195 -14.124 1.00 21.24 C ATOM 662 CG LYS A 43 9.896 -14.178 -14.405 1.00 34.42 C ATOM 663 CD LYS A 43 9.606 -13.868 -15.864 1.00 5.12 C ATOM 664 CE LYS A 43 8.402 -14.646 -16.371 1.00 61.13 C ATOM 665 NZ LYS A 43 7.288 -13.744 -16.775 1.00 4.43 N ATOM 0 H LYS A 43 12.282 -14.245 -11.756 1.00 50.54 H new ATOM 0 HA LYS A 43 11.108 -16.241 -13.527 1.00 21.24 H new ATOM 0 HB2 LYS A 43 11.644 -13.328 -13.515 1.00 21.24 H new ATOM 0 HB3 LYS A 43 11.928 -14.094 -15.066 1.00 21.24 H new ATOM 0 HG2 LYS A 43 9.465 -15.145 -14.145 1.00 34.42 H new ATOM 0 HG3 LYS A 43 9.414 -13.433 -13.771 1.00 34.42 H new ATOM 0 HD2 LYS A 43 9.425 -12.799 -15.981 1.00 5.12 H new ATOM 0 HD3 LYS A 43 10.479 -14.112 -16.469 1.00 5.12 H new ATOM 0 HE2 LYS A 43 8.698 -15.260 -17.221 1.00 61.13 H new ATOM 0 HE3 LYS A 43 8.055 -15.326 -15.593 1.00 61.13 H new ATOM 0 HZ1 LYS A 43 6.486 -14.313 -17.115 1.00 4.43 H new ATOM 0 HZ2 LYS A 43 6.988 -13.176 -15.957 1.00 4.43 H new ATOM 0 HZ3 LYS A 43 7.611 -13.112 -17.536 1.00 4.43 H new ATOM 679 N ASP A 44 14.282 -15.644 -13.387 1.00 14.43 N ATOM 680 CA ASP A 44 15.591 -16.055 -13.878 1.00 64.13 C ATOM 681 C ASP A 44 15.814 -17.547 -13.650 1.00 15.04 C ATOM 682 O ASP A 44 15.706 -18.350 -14.577 1.00 13.14 O ATOM 683 CB ASP A 44 16.694 -15.251 -13.188 1.00 45.04 C ATOM 684 CG ASP A 44 16.962 -13.927 -13.877 1.00 25.03 C ATOM 685 OD1 ASP A 44 16.052 -13.421 -14.566 1.00 70.31 O ATOM 686 OD2 ASP A 44 18.082 -13.396 -13.725 1.00 64.23 O ATOM 0 H ASP A 44 14.306 -15.109 -12.519 1.00 14.43 H new ATOM 0 HA ASP A 44 15.626 -15.860 -14.950 1.00 64.13 H new ATOM 0 HB2 ASP A 44 16.412 -15.067 -12.151 1.00 45.04 H new ATOM 0 HB3 ASP A 44 17.611 -15.840 -13.169 1.00 45.04 H new ATOM 691 N ARG A 45 16.125 -17.910 -12.410 1.00 21.42 N ATOM 692 CA ARG A 45 16.365 -19.305 -12.060 1.00 32.21 C ATOM 693 C ARG A 45 15.373 -19.778 -11.001 1.00 71.43 C ATOM 694 O ARG A 45 15.182 -20.978 -10.807 1.00 21.11 O ATOM 695 CB ARG A 45 17.796 -19.487 -11.551 1.00 12.24 C ATOM 696 CG ARG A 45 18.736 -20.093 -12.579 1.00 60.53 C ATOM 697 CD ARG A 45 19.383 -21.368 -12.060 1.00 34.02 C ATOM 698 NE ARG A 45 19.900 -22.200 -13.143 1.00 1.02 N ATOM 699 CZ ARG A 45 21.005 -21.916 -13.824 1.00 74.11 C ATOM 700 NH1 ARG A 45 21.704 -20.827 -13.535 1.00 61.55 N ATOM 701 NH2 ARG A 45 21.412 -22.722 -14.796 1.00 74.51 N ATOM 0 H ARG A 45 16.217 -17.258 -11.631 1.00 21.42 H new ATOM 0 HA ARG A 45 16.227 -19.907 -12.958 1.00 32.21 H new ATOM 0 HB2 ARG A 45 18.188 -18.519 -11.240 1.00 12.24 H new ATOM 0 HB3 ARG A 45 17.780 -20.124 -10.666 1.00 12.24 H new ATOM 0 HG2 ARG A 45 18.185 -20.310 -13.494 1.00 60.53 H new ATOM 0 HG3 ARG A 45 19.510 -19.370 -12.837 1.00 60.53 H new ATOM 0 HD2 ARG A 45 20.196 -21.111 -11.381 1.00 34.02 H new ATOM 0 HD3 ARG A 45 18.653 -21.936 -11.483 1.00 34.02 H new ATOM 0 HE ARG A 45 19.385 -23.045 -13.390 1.00 1.02 H new ATOM 0 HH11 ARG A 45 21.394 -20.205 -12.788 1.00 61.55 H new ATOM 0 HH12 ARG A 45 22.552 -20.611 -14.059 1.00 61.55 H new ATOM 0 HH21 ARG A 45 20.877 -23.560 -15.021 1.00 74.51 H new ATOM 0 HH22 ARG A 45 22.260 -22.503 -15.318 1.00 74.51 H new ATOM 715 N GLY A 46 14.744 -18.826 -10.319 1.00 20.11 N ATOM 716 CA GLY A 46 13.780 -19.165 -9.288 1.00 63.33 C ATOM 717 C GLY A 46 14.436 -19.740 -8.048 1.00 73.44 C ATOM 718 O GLY A 46 13.752 -20.204 -7.135 1.00 45.20 O ATOM 0 H GLY A 46 14.885 -17.826 -10.462 1.00 20.11 H new ATOM 0 HA2 GLY A 46 13.215 -18.274 -9.016 1.00 63.33 H new ATOM 0 HA3 GLY A 46 13.066 -19.886 -9.685 1.00 63.33 H new ATOM 722 N ASP A 47 15.763 -19.713 -8.016 1.00 44.51 N ATOM 723 CA ASP A 47 16.512 -20.236 -6.879 1.00 52.20 C ATOM 724 C ASP A 47 17.639 -19.286 -6.487 1.00 64.02 C ATOM 725 O ASP A 47 18.818 -19.609 -6.638 1.00 24.31 O ATOM 726 CB ASP A 47 17.082 -21.616 -7.208 1.00 62.23 C ATOM 727 CG ASP A 47 16.002 -22.620 -7.562 1.00 1.34 C ATOM 728 OD1 ASP A 47 15.404 -23.199 -6.631 1.00 71.02 O ATOM 729 OD2 ASP A 47 15.756 -22.826 -8.768 1.00 75.55 O ATOM 0 H ASP A 47 16.343 -19.334 -8.765 1.00 44.51 H new ATOM 0 HA ASP A 47 15.828 -20.326 -6.035 1.00 52.20 H new ATOM 0 HB2 ASP A 47 17.780 -21.528 -8.041 1.00 62.23 H new ATOM 0 HB3 ASP A 47 17.650 -21.984 -6.354 1.00 62.23 H new ATOM 734 N LEU A 48 17.270 -18.113 -5.985 1.00 21.13 N ATOM 735 CA LEU A 48 18.250 -17.115 -5.572 1.00 5.21 C ATOM 736 C LEU A 48 18.209 -16.902 -4.062 1.00 34.40 C ATOM 737 O LEU A 48 19.248 -16.837 -3.404 1.00 41.13 O ATOM 738 CB LEU A 48 17.993 -15.790 -6.292 1.00 71.01 C ATOM 739 CG LEU A 48 17.783 -15.878 -7.804 1.00 52.11 C ATOM 740 CD1 LEU A 48 16.529 -15.121 -8.214 1.00 2.53 C ATOM 741 CD2 LEU A 48 18.999 -15.340 -8.544 1.00 11.43 C ATOM 0 H LEU A 48 16.299 -17.830 -5.854 1.00 21.13 H new ATOM 0 HA LEU A 48 19.240 -17.482 -5.842 1.00 5.21 H new ATOM 0 HB2 LEU A 48 17.113 -15.324 -5.850 1.00 71.01 H new ATOM 0 HB3 LEU A 48 18.836 -15.126 -6.100 1.00 71.01 H new ATOM 0 HG LEU A 48 17.654 -16.926 -8.073 1.00 52.11 H new ATOM 0 HD11 LEU A 48 16.396 -15.195 -9.293 1.00 2.53 H new ATOM 0 HD12 LEU A 48 15.663 -15.552 -7.711 1.00 2.53 H new ATOM 0 HD13 LEU A 48 16.628 -14.073 -7.931 1.00 2.53 H new ATOM 0 HD21 LEU A 48 18.832 -15.411 -9.619 1.00 11.43 H new ATOM 0 HD22 LEU A 48 19.160 -14.297 -8.270 1.00 11.43 H new ATOM 0 HD23 LEU A 48 19.878 -15.926 -8.274 1.00 11.43 H new ATOM 753 N LEU A 49 17.001 -16.797 -3.518 1.00 23.41 N ATOM 754 CA LEU A 49 16.823 -16.595 -2.084 1.00 41.23 C ATOM 755 C LEU A 49 15.433 -17.039 -1.640 1.00 50.42 C ATOM 756 O LEU A 49 14.551 -17.266 -2.467 1.00 73.51 O ATOM 757 CB LEU A 49 17.040 -15.123 -1.726 1.00 72.53 C ATOM 758 CG LEU A 49 18.495 -14.672 -1.595 1.00 12.11 C ATOM 759 CD1 LEU A 49 18.965 -14.007 -2.879 1.00 3.20 C ATOM 760 CD2 LEU A 49 18.655 -13.727 -0.413 1.00 22.12 C ATOM 0 H LEU A 49 16.131 -16.848 -4.048 1.00 23.41 H new ATOM 0 HA LEU A 49 17.562 -17.202 -1.562 1.00 41.23 H new ATOM 0 HB2 LEU A 49 16.558 -14.510 -2.487 1.00 72.53 H new ATOM 0 HB3 LEU A 49 16.531 -14.920 -0.784 1.00 72.53 H new ATOM 0 HG LEU A 49 19.114 -15.551 -1.418 1.00 12.11 H new ATOM 0 HD11 LEU A 49 20.003 -13.693 -2.767 1.00 3.20 H new ATOM 0 HD12 LEU A 49 18.887 -14.714 -3.705 1.00 3.20 H new ATOM 0 HD13 LEU A 49 18.343 -13.137 -3.087 1.00 3.20 H new ATOM 0 HD21 LEU A 49 19.697 -13.416 -0.334 1.00 22.12 H new ATOM 0 HD22 LEU A 49 18.024 -12.850 -0.560 1.00 22.12 H new ATOM 0 HD23 LEU A 49 18.359 -14.237 0.503 1.00 22.12 H new ATOM 772 N GLU A 50 15.246 -17.157 -0.329 1.00 54.14 N ATOM 773 CA GLU A 50 13.962 -17.572 0.224 1.00 52.23 C ATOM 774 C GLU A 50 13.740 -16.958 1.603 1.00 55.32 C ATOM 775 O GLU A 50 14.684 -16.767 2.369 1.00 12.24 O ATOM 776 CB GLU A 50 13.890 -19.098 0.315 1.00 10.51 C ATOM 777 CG GLU A 50 13.197 -19.746 -0.871 1.00 73.41 C ATOM 778 CD GLU A 50 12.313 -20.910 -0.465 1.00 62.14 C ATOM 779 OE1 GLU A 50 12.531 -21.465 0.632 1.00 30.01 O ATOM 780 OE2 GLU A 50 11.405 -21.266 -1.245 1.00 20.22 O ATOM 0 H GLU A 50 15.966 -16.971 0.369 1.00 54.14 H new ATOM 0 HA GLU A 50 13.176 -17.218 -0.443 1.00 52.23 H new ATOM 0 HB2 GLU A 50 14.901 -19.497 0.397 1.00 10.51 H new ATOM 0 HB3 GLU A 50 13.363 -19.375 1.228 1.00 10.51 H new ATOM 0 HG2 GLU A 50 12.594 -18.999 -1.387 1.00 73.41 H new ATOM 0 HG3 GLU A 50 13.948 -20.095 -1.580 1.00 73.41 H new ATOM 787 N VAL A 51 12.484 -16.650 1.912 1.00 52.44 N ATOM 788 CA VAL A 51 12.136 -16.058 3.198 1.00 40.52 C ATOM 789 C VAL A 51 11.739 -17.129 4.207 1.00 72.34 C ATOM 790 O VAL A 51 11.117 -18.130 3.852 1.00 44.01 O ATOM 791 CB VAL A 51 10.982 -15.048 3.057 1.00 53.50 C ATOM 792 CG1 VAL A 51 9.786 -15.694 2.374 1.00 23.41 C ATOM 793 CG2 VAL A 51 10.592 -14.491 4.418 1.00 20.31 C ATOM 0 H VAL A 51 11.691 -16.801 1.289 1.00 52.44 H new ATOM 0 HA VAL A 51 13.024 -15.537 3.557 1.00 40.52 H new ATOM 0 HB VAL A 51 11.322 -14.220 2.435 1.00 53.50 H new ATOM 0 HG11 VAL A 51 8.981 -14.965 2.284 1.00 23.41 H new ATOM 0 HG12 VAL A 51 10.076 -16.039 1.382 1.00 23.41 H new ATOM 0 HG13 VAL A 51 9.443 -16.542 2.967 1.00 23.41 H new ATOM 0 HG21 VAL A 51 9.775 -13.779 4.299 1.00 20.31 H new ATOM 0 HG22 VAL A 51 10.271 -15.306 5.067 1.00 20.31 H new ATOM 0 HG23 VAL A 51 11.450 -13.988 4.865 1.00 20.31 H new ATOM 803 N ASN A 52 12.102 -16.912 5.467 1.00 53.24 N ATOM 804 CA ASN A 52 11.783 -17.859 6.528 1.00 31.53 C ATOM 805 C ASN A 52 10.605 -17.366 7.363 1.00 40.43 C ATOM 806 O ASN A 52 10.686 -16.325 8.017 1.00 24.31 O ATOM 807 CB ASN A 52 13.002 -18.080 7.426 1.00 12.15 C ATOM 808 CG ASN A 52 12.780 -19.185 8.441 1.00 12.34 C ATOM 809 OD1 ASN A 52 11.668 -19.691 8.591 1.00 15.34 O ATOM 810 ND2 ASN A 52 13.841 -19.564 9.144 1.00 33.03 N ATOM 0 H ASN A 52 12.617 -16.088 5.778 1.00 53.24 H new ATOM 0 HA ASN A 52 11.505 -18.805 6.064 1.00 31.53 H new ATOM 0 HB2 ASN A 52 13.865 -18.326 6.808 1.00 12.15 H new ATOM 0 HB3 ASN A 52 13.238 -17.153 7.948 1.00 12.15 H new ATOM 0 HD21 ASN A 52 13.753 -20.303 9.842 1.00 33.03 H new ATOM 0 HD22 ASN A 52 14.744 -19.116 8.986 1.00 33.03 H new ATOM 817 N LEU A 53 9.511 -18.119 7.335 1.00 10.43 N ATOM 818 CA LEU A 53 8.315 -17.759 8.090 1.00 44.43 C ATOM 819 C LEU A 53 8.610 -17.706 9.585 1.00 25.33 C ATOM 820 O LEU A 53 7.839 -17.141 10.360 1.00 72.41 O ATOM 821 CB LEU A 53 7.194 -18.761 7.814 1.00 35.45 C ATOM 822 CG LEU A 53 6.324 -18.476 6.590 1.00 54.12 C ATOM 823 CD1 LEU A 53 6.283 -19.687 5.670 1.00 14.52 C ATOM 824 CD2 LEU A 53 4.917 -18.079 7.015 1.00 25.22 C ATOM 0 H LEU A 53 9.427 -18.982 6.798 1.00 10.43 H new ATOM 0 HA LEU A 53 7.996 -16.768 7.767 1.00 44.43 H new ATOM 0 HB2 LEU A 53 7.638 -19.749 7.696 1.00 35.45 H new ATOM 0 HB3 LEU A 53 6.549 -18.804 8.691 1.00 35.45 H new ATOM 0 HG LEU A 53 6.765 -17.643 6.042 1.00 54.12 H new ATOM 0 HD11 LEU A 53 5.659 -19.465 4.804 1.00 14.52 H new ATOM 0 HD12 LEU A 53 7.293 -19.926 5.338 1.00 14.52 H new ATOM 0 HD13 LEU A 53 5.867 -20.539 6.208 1.00 14.52 H new ATOM 0 HD21 LEU A 53 4.312 -17.880 6.130 1.00 25.22 H new ATOM 0 HD22 LEU A 53 4.467 -18.890 7.587 1.00 25.22 H new ATOM 0 HD23 LEU A 53 4.963 -17.182 7.632 1.00 25.22 H new ATOM 836 N GLN A 54 9.733 -18.297 9.983 1.00 73.01 N ATOM 837 CA GLN A 54 10.130 -18.316 11.386 1.00 50.13 C ATOM 838 C GLN A 54 10.104 -16.911 11.978 1.00 42.53 C ATOM 839 O GLN A 54 9.526 -16.685 13.040 1.00 4.30 O ATOM 840 CB GLN A 54 11.528 -18.919 11.534 1.00 50.23 C ATOM 841 CG GLN A 54 11.553 -20.434 11.413 1.00 31.02 C ATOM 842 CD GLN A 54 10.945 -21.125 12.618 1.00 70.33 C ATOM 843 OE1 GLN A 54 11.649 -21.487 13.561 1.00 32.20 O ATOM 844 NE2 GLN A 54 9.631 -21.312 12.592 1.00 34.43 N ATOM 0 H GLN A 54 10.383 -18.768 9.354 1.00 73.01 H new ATOM 0 HA GLN A 54 9.416 -18.933 11.931 1.00 50.13 H new ATOM 0 HB2 GLN A 54 12.181 -18.491 10.774 1.00 50.23 H new ATOM 0 HB3 GLN A 54 11.937 -18.633 12.503 1.00 50.23 H new ATOM 0 HG2 GLN A 54 11.011 -20.732 10.516 1.00 31.02 H new ATOM 0 HG3 GLN A 54 12.583 -20.768 11.289 1.00 31.02 H new ATOM 0 HE21 GLN A 54 9.087 -20.996 11.790 1.00 34.43 H new ATOM 0 HE22 GLN A 54 9.166 -21.772 13.375 1.00 34.43 H new ATOM 853 N ASN A 55 10.735 -15.969 11.283 1.00 73.33 N ATOM 854 CA ASN A 55 10.785 -14.586 11.740 1.00 13.54 C ATOM 855 C ASN A 55 10.696 -13.619 10.563 1.00 63.51 C ATOM 856 O ASN A 55 11.138 -12.475 10.651 1.00 14.52 O ATOM 857 CB ASN A 55 12.073 -14.333 12.526 1.00 11.33 C ATOM 858 CG ASN A 55 12.205 -15.247 13.729 1.00 1.22 C ATOM 859 OD1 ASN A 55 12.677 -16.378 13.614 1.00 33.12 O ATOM 860 ND2 ASN A 55 11.788 -14.759 14.892 1.00 53.24 N ATOM 0 H ASN A 55 11.219 -16.139 10.401 1.00 73.33 H new ATOM 0 HA ASN A 55 9.929 -14.415 12.393 1.00 13.54 H new ATOM 0 HB2 ASN A 55 12.931 -14.476 11.869 1.00 11.33 H new ATOM 0 HB3 ASN A 55 12.095 -13.295 12.858 1.00 11.33 H new ATOM 0 HD21 ASN A 55 11.853 -15.328 15.736 1.00 53.24 H new ATOM 0 HD22 ASN A 55 11.403 -13.816 14.941 1.00 53.24 H new ATOM 867 N GLY A 56 10.122 -14.090 9.460 1.00 72.21 N ATOM 868 CA GLY A 56 9.985 -13.256 8.281 1.00 44.44 C ATOM 869 C GLY A 56 11.314 -12.699 7.807 1.00 35.22 C ATOM 870 O GLY A 56 11.361 -11.646 7.170 1.00 22.35 O ATOM 0 H GLY A 56 9.749 -15.035 9.362 1.00 72.21 H new ATOM 0 HA2 GLY A 56 9.532 -13.838 7.479 1.00 44.44 H new ATOM 0 HA3 GLY A 56 9.306 -12.432 8.500 1.00 44.44 H new ATOM 874 N ILE A 57 12.394 -13.406 8.120 1.00 44.03 N ATOM 875 CA ILE A 57 13.729 -12.976 7.722 1.00 1.43 C ATOM 876 C ILE A 57 14.105 -13.541 6.357 1.00 50.43 C ATOM 877 O ILE A 57 13.675 -14.633 5.985 1.00 74.14 O ATOM 878 CB ILE A 57 14.790 -13.406 8.753 1.00 55.00 C ATOM 879 CG1 ILE A 57 16.125 -12.718 8.461 1.00 15.44 C ATOM 880 CG2 ILE A 57 14.954 -14.918 8.744 1.00 61.44 C ATOM 881 CD1 ILE A 57 16.043 -11.207 8.483 1.00 20.34 C ATOM 0 H ILE A 57 12.371 -14.279 8.648 1.00 44.03 H new ATOM 0 HA ILE A 57 13.706 -11.888 7.668 1.00 1.43 H new ATOM 0 HB ILE A 57 14.456 -13.102 9.745 1.00 55.00 H new ATOM 0 HG12 ILE A 57 16.861 -13.045 9.195 1.00 15.44 H new ATOM 0 HG13 ILE A 57 16.485 -13.040 7.484 1.00 15.44 H new ATOM 0 HG21 ILE A 57 15.707 -15.207 9.477 1.00 61.44 H new ATOM 0 HG22 ILE A 57 14.003 -15.389 8.995 1.00 61.44 H new ATOM 0 HG23 ILE A 57 15.269 -15.244 7.753 1.00 61.44 H new ATOM 0 HD11 ILE A 57 17.025 -10.786 8.268 1.00 20.34 H new ATOM 0 HD12 ILE A 57 15.331 -10.870 7.729 1.00 20.34 H new ATOM 0 HD13 ILE A 57 15.714 -10.875 9.467 1.00 20.34 H new ATOM 893 N LEU A 58 14.912 -12.791 5.614 1.00 13.41 N ATOM 894 CA LEU A 58 15.348 -13.217 4.289 1.00 24.01 C ATOM 895 C LEU A 58 16.741 -13.837 4.348 1.00 52.11 C ATOM 896 O LEU A 58 17.705 -13.185 4.749 1.00 24.54 O ATOM 897 CB LEU A 58 15.346 -12.031 3.323 1.00 1.35 C ATOM 898 CG LEU A 58 14.880 -12.327 1.898 1.00 55.43 C ATOM 899 CD1 LEU A 58 15.816 -13.318 1.225 1.00 51.14 C ATOM 900 CD2 LEU A 58 13.453 -12.856 1.903 1.00 70.44 C ATOM 0 H LEU A 58 15.277 -11.885 5.907 1.00 13.41 H new ATOM 0 HA LEU A 58 14.649 -13.972 3.929 1.00 24.01 H new ATOM 0 HB2 LEU A 58 14.707 -11.251 3.738 1.00 1.35 H new ATOM 0 HB3 LEU A 58 16.356 -11.624 3.276 1.00 1.35 H new ATOM 0 HG LEU A 58 14.900 -11.397 1.329 1.00 55.43 H new ATOM 0 HD11 LEU A 58 15.468 -13.516 0.211 1.00 51.14 H new ATOM 0 HD12 LEU A 58 16.822 -12.901 1.188 1.00 51.14 H new ATOM 0 HD13 LEU A 58 15.830 -14.249 1.793 1.00 51.14 H new ATOM 0 HD21 LEU A 58 13.138 -13.061 0.880 1.00 70.44 H new ATOM 0 HD22 LEU A 58 13.408 -13.775 2.488 1.00 70.44 H new ATOM 0 HD23 LEU A 58 12.790 -12.111 2.344 1.00 70.44 H new ATOM 912 N PHE A 59 16.839 -15.099 3.943 1.00 13.11 N ATOM 913 CA PHE A 59 18.114 -15.807 3.948 1.00 15.24 C ATOM 914 C PHE A 59 18.583 -16.093 2.525 1.00 52.41 C ATOM 915 O PHE A 59 17.774 -16.204 1.603 1.00 24.53 O ATOM 916 CB PHE A 59 17.990 -17.117 4.730 1.00 45.44 C ATOM 917 CG PHE A 59 16.893 -18.012 4.229 1.00 22.15 C ATOM 918 CD1 PHE A 59 17.102 -18.843 3.141 1.00 74.43 C ATOM 919 CD2 PHE A 59 15.654 -18.023 4.848 1.00 14.13 C ATOM 920 CE1 PHE A 59 16.093 -19.668 2.678 1.00 3.31 C ATOM 921 CE2 PHE A 59 14.642 -18.845 4.390 1.00 35.43 C ATOM 922 CZ PHE A 59 14.862 -19.670 3.304 1.00 2.34 C ATOM 0 H PHE A 59 16.051 -15.652 3.607 1.00 13.11 H new ATOM 0 HA PHE A 59 18.853 -15.170 4.434 1.00 15.24 H new ATOM 0 HB2 PHE A 59 18.938 -17.653 4.678 1.00 45.44 H new ATOM 0 HB3 PHE A 59 17.810 -16.888 5.780 1.00 45.44 H new ATOM 0 HD1 PHE A 59 18.063 -18.847 2.649 1.00 74.43 H new ATOM 0 HD2 PHE A 59 15.477 -17.382 5.699 1.00 14.13 H new ATOM 0 HE1 PHE A 59 16.268 -20.310 1.827 1.00 3.31 H new ATOM 0 HE2 PHE A 59 13.680 -18.842 4.881 1.00 35.43 H new ATOM 0 HZ PHE A 59 14.073 -20.315 2.945 1.00 2.34 H new ATOM 932 N VAL A 60 19.896 -16.209 2.353 1.00 32.22 N ATOM 933 CA VAL A 60 20.474 -16.483 1.043 1.00 2.50 C ATOM 934 C VAL A 60 20.212 -17.922 0.616 1.00 21.41 C ATOM 935 O VAL A 60 20.172 -18.829 1.447 1.00 65.25 O ATOM 936 CB VAL A 60 21.993 -16.225 1.035 1.00 53.40 C ATOM 937 CG1 VAL A 60 22.550 -16.358 -0.374 1.00 73.51 C ATOM 938 CG2 VAL A 60 22.302 -14.851 1.611 1.00 24.33 C ATOM 0 H VAL A 60 20.579 -16.117 3.105 1.00 32.22 H new ATOM 0 HA VAL A 60 19.994 -15.805 0.337 1.00 2.50 H new ATOM 0 HB VAL A 60 22.475 -16.975 1.663 1.00 53.40 H new ATOM 0 HG11 VAL A 60 23.624 -16.172 -0.360 1.00 73.51 H new ATOM 0 HG12 VAL A 60 22.361 -17.365 -0.747 1.00 73.51 H new ATOM 0 HG13 VAL A 60 22.065 -15.632 -1.027 1.00 73.51 H new ATOM 0 HG21 VAL A 60 23.379 -14.685 1.598 1.00 24.33 H new ATOM 0 HG22 VAL A 60 21.810 -14.086 1.011 1.00 24.33 H new ATOM 0 HG23 VAL A 60 21.939 -14.797 2.637 1.00 24.33 H new ATOM 948 N ASN A 61 20.034 -18.125 -0.685 1.00 41.14 N ATOM 949 CA ASN A 61 19.776 -19.455 -1.224 1.00 34.55 C ATOM 950 C ASN A 61 20.348 -19.594 -2.631 1.00 52.51 C ATOM 951 O ASN A 61 19.652 -20.012 -3.557 1.00 3.33 O ATOM 952 CB ASN A 61 18.272 -19.738 -1.242 1.00 51.42 C ATOM 953 CG ASN A 61 17.962 -21.222 -1.252 1.00 23.15 C ATOM 954 OD1 ASN A 61 17.381 -21.740 -2.205 1.00 34.22 O ATOM 955 ND2 ASN A 61 18.351 -21.914 -0.187 1.00 14.03 N ATOM 0 H ASN A 61 20.064 -17.385 -1.386 1.00 41.14 H new ATOM 0 HA ASN A 61 20.268 -20.182 -0.578 1.00 34.55 H new ATOM 0 HB2 ASN A 61 17.808 -19.279 -0.369 1.00 51.42 H new ATOM 0 HB3 ASN A 61 17.828 -19.271 -2.121 1.00 51.42 H new ATOM 0 HD21 ASN A 61 18.171 -22.917 -0.137 1.00 14.03 H new ATOM 0 HD22 ASN A 61 18.830 -21.443 0.580 1.00 14.03 H new ATOM 962 N SER A 62 21.620 -19.240 -2.784 1.00 52.43 N ATOM 963 CA SER A 62 22.285 -19.321 -4.079 1.00 42.23 C ATOM 964 C SER A 62 23.797 -19.193 -3.922 1.00 24.30 C ATOM 965 O SER A 62 24.310 -19.094 -2.807 1.00 63.12 O ATOM 966 CB SER A 62 21.764 -18.227 -5.014 1.00 2.05 C ATOM 967 OG SER A 62 21.683 -18.693 -6.349 1.00 64.13 O ATOM 0 H SER A 62 22.210 -18.894 -2.027 1.00 52.43 H new ATOM 0 HA SER A 62 22.063 -20.296 -4.513 1.00 42.23 H new ATOM 0 HB2 SER A 62 20.780 -17.897 -4.680 1.00 2.05 H new ATOM 0 HB3 SER A 62 22.423 -17.360 -4.967 1.00 2.05 H new ATOM 0 HG SER A 62 20.775 -19.014 -6.529 1.00 64.13 H new ATOM 973 N ARG A 63 24.505 -19.197 -5.047 1.00 3.12 N ATOM 974 CA ARG A 63 25.959 -19.083 -5.035 1.00 73.11 C ATOM 975 C ARG A 63 26.391 -17.625 -5.163 1.00 31.32 C ATOM 976 O ARG A 63 26.576 -17.117 -6.269 1.00 65.52 O ATOM 977 CB ARG A 63 26.565 -19.908 -6.172 1.00 42.51 C ATOM 978 CG ARG A 63 25.949 -21.289 -6.318 1.00 61.24 C ATOM 979 CD ARG A 63 24.956 -21.337 -7.469 1.00 63.43 C ATOM 980 NE ARG A 63 25.409 -22.213 -8.547 1.00 23.34 N ATOM 981 CZ ARG A 63 25.458 -23.537 -8.446 1.00 41.01 C ATOM 982 NH1 ARG A 63 25.083 -24.134 -7.323 1.00 63.23 N ATOM 983 NH2 ARG A 63 25.882 -24.266 -9.470 1.00 61.15 N ATOM 0 H ARG A 63 24.096 -19.278 -5.978 1.00 3.12 H new ATOM 0 HA ARG A 63 26.321 -19.469 -4.082 1.00 73.11 H new ATOM 0 HB2 ARG A 63 26.443 -19.364 -7.109 1.00 42.51 H new ATOM 0 HB3 ARG A 63 27.636 -20.014 -6.002 1.00 42.51 H new ATOM 0 HG2 ARG A 63 26.736 -22.024 -6.484 1.00 61.24 H new ATOM 0 HG3 ARG A 63 25.447 -21.564 -5.391 1.00 61.24 H new ATOM 0 HD2 ARG A 63 23.991 -21.685 -7.101 1.00 63.43 H new ATOM 0 HD3 ARG A 63 24.804 -20.331 -7.859 1.00 63.43 H new ATOM 0 HE ARG A 63 25.704 -21.785 -9.425 1.00 23.34 H new ATOM 0 HH11 ARG A 63 24.756 -23.577 -6.534 1.00 63.23 H new ATOM 0 HH12 ARG A 63 25.122 -25.151 -7.248 1.00 63.23 H new ATOM 0 HH21 ARG A 63 26.171 -23.810 -10.336 1.00 61.15 H new ATOM 0 HH22 ARG A 63 25.919 -25.282 -9.392 1.00 61.15 H new ATOM 997 N ILE A 64 26.549 -16.958 -4.024 1.00 74.54 N ATOM 998 CA ILE A 64 26.959 -15.560 -4.009 1.00 63.04 C ATOM 999 C ILE A 64 28.466 -15.427 -4.207 1.00 75.31 C ATOM 1000 O ILE A 64 28.963 -14.360 -4.568 1.00 20.43 O ATOM 1001 CB ILE A 64 26.563 -14.871 -2.690 1.00 64.12 C ATOM 1002 CG1 ILE A 64 25.172 -15.328 -2.248 1.00 73.53 C ATOM 1003 CG2 ILE A 64 26.604 -13.359 -2.849 1.00 50.45 C ATOM 1004 CD1 ILE A 64 24.098 -15.087 -3.287 1.00 25.54 C ATOM 0 H ILE A 64 26.399 -17.364 -3.100 1.00 74.54 H new ATOM 0 HA ILE A 64 26.442 -15.071 -4.834 1.00 63.04 H new ATOM 0 HB ILE A 64 27.280 -15.155 -1.920 1.00 64.12 H new ATOM 0 HG12 ILE A 64 25.206 -16.392 -2.012 1.00 73.53 H new ATOM 0 HG13 ILE A 64 24.902 -14.806 -1.330 1.00 73.53 H new ATOM 0 HG21 ILE A 64 26.322 -12.886 -1.908 1.00 50.45 H new ATOM 0 HG22 ILE A 64 27.613 -13.049 -3.122 1.00 50.45 H new ATOM 0 HG23 ILE A 64 25.907 -13.056 -3.631 1.00 50.45 H new ATOM 0 HD11 ILE A 64 23.138 -15.435 -2.906 1.00 25.54 H new ATOM 0 HD12 ILE A 64 24.036 -14.021 -3.506 1.00 25.54 H new ATOM 0 HD13 ILE A 64 24.345 -15.631 -4.199 1.00 25.54 H new ATOM 1016 N ASP A 65 29.186 -16.518 -3.970 1.00 50.04 N ATOM 1017 CA ASP A 65 30.636 -16.525 -4.125 1.00 60.03 C ATOM 1018 C ASP A 65 31.049 -15.809 -5.407 1.00 41.32 C ATOM 1019 O ASP A 65 30.458 -16.020 -6.466 1.00 61.53 O ATOM 1020 CB ASP A 65 31.162 -17.961 -4.137 1.00 21.13 C ATOM 1021 CG ASP A 65 32.324 -18.160 -3.184 1.00 2.45 C ATOM 1022 OD1 ASP A 65 33.317 -17.411 -3.295 1.00 50.51 O ATOM 1023 OD2 ASP A 65 32.241 -19.064 -2.327 1.00 24.54 O ATOM 0 H ASP A 65 28.789 -17.409 -3.670 1.00 50.04 H new ATOM 0 HA ASP A 65 31.070 -15.994 -3.277 1.00 60.03 H new ATOM 0 HB2 ASP A 65 30.355 -18.643 -3.869 1.00 21.13 H new ATOM 0 HB3 ASP A 65 31.476 -18.221 -5.148 1.00 21.13 H new ATOM 1028 N ARG A 66 32.066 -14.960 -5.303 1.00 42.42 N ATOM 1029 CA ARG A 66 32.557 -14.210 -6.454 1.00 34.24 C ATOM 1030 C ARG A 66 32.891 -15.147 -7.610 1.00 61.34 C ATOM 1031 O ARG A 66 32.903 -14.737 -8.770 1.00 51.42 O ATOM 1032 CB ARG A 66 33.793 -13.396 -6.069 1.00 41.31 C ATOM 1033 CG ARG A 66 34.794 -14.169 -5.227 1.00 22.34 C ATOM 1034 CD ARG A 66 36.191 -13.578 -5.338 1.00 72.34 C ATOM 1035 NE ARG A 66 37.194 -14.597 -5.635 1.00 62.12 N ATOM 1036 CZ ARG A 66 38.465 -14.320 -5.905 1.00 60.43 C ATOM 1037 NH1 ARG A 66 38.885 -13.063 -5.915 1.00 64.05 N ATOM 1038 NH2 ARG A 66 39.318 -15.303 -6.165 1.00 44.34 N ATOM 0 H ARG A 66 32.566 -14.774 -4.434 1.00 42.42 H new ATOM 0 HA ARG A 66 31.769 -13.530 -6.777 1.00 34.24 H new ATOM 0 HB2 ARG A 66 34.286 -13.049 -6.977 1.00 41.31 H new ATOM 0 HB3 ARG A 66 33.477 -12.509 -5.519 1.00 41.31 H new ATOM 0 HG2 ARG A 66 34.476 -14.161 -4.184 1.00 22.34 H new ATOM 0 HG3 ARG A 66 34.812 -15.211 -5.547 1.00 22.34 H new ATOM 0 HD2 ARG A 66 36.202 -12.819 -6.120 1.00 72.34 H new ATOM 0 HD3 ARG A 66 36.448 -13.077 -4.405 1.00 72.34 H new ATOM 0 HE ARG A 66 36.903 -15.575 -5.635 1.00 62.12 H new ATOM 0 HH11 ARG A 66 38.232 -12.305 -5.715 1.00 64.05 H new ATOM 0 HH12 ARG A 66 39.861 -12.853 -6.123 1.00 64.05 H new ATOM 0 HH21 ARG A 66 38.998 -16.271 -6.158 1.00 44.34 H new ATOM 0 HH22 ARG A 66 40.294 -15.090 -6.372 1.00 44.34 H new ATOM 1052 N GLU A 67 33.163 -16.407 -7.285 1.00 74.41 N ATOM 1053 CA GLU A 67 33.499 -17.402 -8.298 1.00 13.54 C ATOM 1054 C GLU A 67 32.258 -17.824 -9.079 1.00 15.35 C ATOM 1055 O GLU A 67 32.264 -17.845 -10.309 1.00 12.22 O ATOM 1056 CB GLU A 67 34.146 -18.626 -7.647 1.00 2.31 C ATOM 1057 CG GLU A 67 35.640 -18.732 -7.902 1.00 43.21 C ATOM 1058 CD GLU A 67 36.436 -17.683 -7.150 1.00 44.23 C ATOM 1059 OE1 GLU A 67 36.415 -17.702 -5.902 1.00 75.21 O ATOM 1060 OE2 GLU A 67 37.082 -16.842 -7.811 1.00 72.24 O ATOM 0 H GLU A 67 33.157 -16.763 -6.329 1.00 74.41 H new ATOM 0 HA GLU A 67 34.208 -16.951 -8.992 1.00 13.54 H new ATOM 0 HB2 GLU A 67 33.971 -18.590 -6.572 1.00 2.31 H new ATOM 0 HB3 GLU A 67 33.657 -19.526 -8.020 1.00 2.31 H new ATOM 0 HG2 GLU A 67 35.985 -19.724 -7.609 1.00 43.21 H new ATOM 0 HG3 GLU A 67 35.831 -18.631 -8.970 1.00 43.21 H new ATOM 1067 N GLU A 68 31.195 -18.160 -8.353 1.00 41.45 N ATOM 1068 CA GLU A 68 29.947 -18.583 -8.978 1.00 44.24 C ATOM 1069 C GLU A 68 29.117 -17.376 -9.408 1.00 24.43 C ATOM 1070 O GLU A 68 28.765 -17.236 -10.580 1.00 34.45 O ATOM 1071 CB GLU A 68 29.139 -19.455 -8.016 1.00 22.24 C ATOM 1072 CG GLU A 68 29.954 -20.562 -7.368 1.00 33.25 C ATOM 1073 CD GLU A 68 30.724 -21.389 -8.379 1.00 51.51 C ATOM 1074 OE1 GLU A 68 30.159 -22.376 -8.893 1.00 35.21 O ATOM 1075 OE2 GLU A 68 31.893 -21.047 -8.657 1.00 14.30 O ATOM 0 H GLU A 68 31.174 -18.147 -7.333 1.00 41.45 H new ATOM 0 HA GLU A 68 30.194 -19.166 -9.865 1.00 44.24 H new ATOM 0 HB2 GLU A 68 28.714 -18.823 -7.236 1.00 22.24 H new ATOM 0 HB3 GLU A 68 28.303 -19.899 -8.556 1.00 22.24 H new ATOM 0 HG2 GLU A 68 30.653 -20.124 -6.655 1.00 33.25 H new ATOM 0 HG3 GLU A 68 29.289 -21.214 -6.802 1.00 33.25 H new ATOM 1082 N LEU A 69 28.808 -16.508 -8.451 1.00 44.01 N ATOM 1083 CA LEU A 69 28.019 -15.313 -8.729 1.00 1.14 C ATOM 1084 C LEU A 69 28.547 -14.585 -9.961 1.00 24.41 C ATOM 1085 O LEU A 69 27.929 -14.615 -11.025 1.00 54.41 O ATOM 1086 CB LEU A 69 28.037 -14.374 -7.521 1.00 45.11 C ATOM 1087 CG LEU A 69 26.828 -13.450 -7.371 1.00 44.10 C ATOM 1088 CD1 LEU A 69 25.559 -14.261 -7.164 1.00 31.31 C ATOM 1089 CD2 LEU A 69 27.038 -12.480 -6.217 1.00 22.40 C ATOM 0 H LEU A 69 29.092 -16.609 -7.476 1.00 44.01 H new ATOM 0 HA LEU A 69 26.993 -15.623 -8.926 1.00 1.14 H new ATOM 0 HB2 LEU A 69 28.122 -14.978 -6.618 1.00 45.11 H new ATOM 0 HB3 LEU A 69 28.935 -13.758 -7.578 1.00 45.11 H new ATOM 0 HG LEU A 69 26.720 -12.873 -8.289 1.00 44.10 H new ATOM 0 HD11 LEU A 69 24.709 -13.587 -7.059 1.00 31.31 H new ATOM 0 HD12 LEU A 69 25.400 -14.914 -8.022 1.00 31.31 H new ATOM 0 HD13 LEU A 69 25.656 -14.865 -6.262 1.00 31.31 H new ATOM 0 HD21 LEU A 69 26.168 -11.830 -6.125 1.00 22.40 H new ATOM 0 HD22 LEU A 69 27.173 -13.040 -5.291 1.00 22.40 H new ATOM 0 HD23 LEU A 69 27.924 -11.875 -6.407 1.00 22.40 H new ATOM 1101 N CYS A 70 29.696 -13.935 -9.810 1.00 41.23 N ATOM 1102 CA CYS A 70 30.310 -13.201 -10.910 1.00 52.14 C ATOM 1103 C CYS A 70 31.772 -12.889 -10.607 1.00 43.50 C ATOM 1104 O CYS A 70 32.663 -13.216 -11.390 1.00 23.15 O ATOM 1105 CB CYS A 70 29.544 -11.903 -11.175 1.00 60.13 C ATOM 1106 SG CYS A 70 28.832 -11.142 -9.681 1.00 51.24 S ATOM 0 H CYS A 70 30.221 -13.902 -8.936 1.00 41.23 H new ATOM 0 HA CYS A 70 30.268 -13.828 -11.800 1.00 52.14 H new ATOM 0 HB2 CYS A 70 30.216 -11.188 -11.649 1.00 60.13 H new ATOM 0 HB3 CYS A 70 28.742 -12.106 -11.884 1.00 60.13 H new ATOM 1111 N GLY A 71 32.011 -12.252 -9.464 1.00 63.41 N ATOM 1112 CA GLY A 71 33.366 -11.906 -9.077 1.00 24.40 C ATOM 1113 C GLY A 71 33.911 -10.729 -9.861 1.00 14.42 C ATOM 1114 O GLY A 71 34.122 -9.650 -9.306 1.00 51.15 O ATOM 0 H GLY A 71 31.290 -11.970 -8.800 1.00 63.41 H new ATOM 0 HA2 GLY A 71 33.388 -11.671 -8.013 1.00 24.40 H new ATOM 0 HA3 GLY A 71 34.015 -12.769 -9.226 1.00 24.40 H new ATOM 1118 N ARG A 72 34.140 -10.935 -11.154 1.00 35.25 N ATOM 1119 CA ARG A 72 34.665 -9.882 -12.014 1.00 64.41 C ATOM 1120 C ARG A 72 33.850 -8.601 -11.866 1.00 71.20 C ATOM 1121 O ARG A 72 34.377 -7.498 -12.007 1.00 64.01 O ATOM 1122 CB ARG A 72 34.659 -10.338 -13.475 1.00 4.54 C ATOM 1123 CG ARG A 72 35.972 -10.958 -13.924 1.00 73.45 C ATOM 1124 CD ARG A 72 36.919 -9.911 -14.490 1.00 34.33 C ATOM 1125 NE ARG A 72 37.631 -10.397 -15.668 1.00 43.03 N ATOM 1126 CZ ARG A 72 38.685 -11.204 -15.609 1.00 51.23 C ATOM 1127 NH1 ARG A 72 39.145 -11.614 -14.435 1.00 43.45 N ATOM 1128 NH2 ARG A 72 39.280 -11.603 -16.726 1.00 52.22 N ATOM 0 H ARG A 72 33.970 -11.822 -11.629 1.00 35.25 H new ATOM 0 HA ARG A 72 35.691 -9.676 -11.709 1.00 64.41 H new ATOM 0 HB2 ARG A 72 33.857 -11.062 -13.618 1.00 4.54 H new ATOM 0 HB3 ARG A 72 34.433 -9.483 -14.113 1.00 4.54 H new ATOM 0 HG2 ARG A 72 36.446 -11.460 -13.080 1.00 73.45 H new ATOM 0 HG3 ARG A 72 35.776 -11.719 -14.679 1.00 73.45 H new ATOM 0 HD2 ARG A 72 36.355 -9.016 -14.751 1.00 34.33 H new ATOM 0 HD3 ARG A 72 37.639 -9.622 -13.725 1.00 34.33 H new ATOM 0 HE ARG A 72 37.301 -10.101 -16.587 1.00 43.03 H new ATOM 0 HH11 ARG A 72 38.690 -11.310 -13.574 1.00 43.45 H new ATOM 0 HH12 ARG A 72 39.954 -12.233 -14.392 1.00 43.45 H new ATOM 0 HH21 ARG A 72 38.928 -11.290 -17.631 1.00 52.22 H new ATOM 0 HH22 ARG A 72 40.089 -12.222 -16.680 1.00 52.22 H new ATOM 1142 N SER A 73 32.561 -8.756 -11.581 1.00 52.14 N ATOM 1143 CA SER A 73 31.671 -7.612 -11.419 1.00 3.05 C ATOM 1144 C SER A 73 31.681 -7.117 -9.975 1.00 61.43 C ATOM 1145 O SER A 73 31.036 -7.700 -9.104 1.00 4.33 O ATOM 1146 CB SER A 73 30.246 -7.984 -11.832 1.00 63.14 C ATOM 1147 OG SER A 73 29.818 -7.210 -12.940 1.00 23.51 O ATOM 0 H SER A 73 32.110 -9.662 -11.458 1.00 52.14 H new ATOM 0 HA SER A 73 32.030 -6.810 -12.063 1.00 3.05 H new ATOM 0 HB2 SER A 73 30.202 -9.043 -12.086 1.00 63.14 H new ATOM 0 HB3 SER A 73 29.568 -7.829 -10.992 1.00 63.14 H new ATOM 0 HG SER A 73 28.905 -7.468 -13.186 1.00 23.51 H new ATOM 1153 N ALA A 74 32.418 -6.039 -9.731 1.00 52.52 N ATOM 1154 CA ALA A 74 32.511 -5.463 -8.395 1.00 72.31 C ATOM 1155 C ALA A 74 31.126 -5.234 -7.798 1.00 63.25 C ATOM 1156 O ALA A 74 30.945 -5.307 -6.584 1.00 33.33 O ATOM 1157 CB ALA A 74 33.293 -4.159 -8.435 1.00 53.34 C ATOM 0 H ALA A 74 32.960 -5.546 -10.441 1.00 52.52 H new ATOM 0 HA ALA A 74 33.040 -6.171 -7.757 1.00 72.31 H new ATOM 0 HB1 ALA A 74 33.354 -3.740 -7.430 1.00 53.34 H new ATOM 0 HB2 ALA A 74 34.298 -4.349 -8.811 1.00 53.34 H new ATOM 0 HB3 ALA A 74 32.788 -3.452 -9.093 1.00 53.34 H new ATOM 1163 N GLU A 75 30.154 -4.956 -8.661 1.00 73.31 N ATOM 1164 CA GLU A 75 28.786 -4.715 -8.217 1.00 72.03 C ATOM 1165 C GLU A 75 27.802 -5.592 -8.986 1.00 54.23 C ATOM 1166 O GLU A 75 27.536 -5.359 -10.166 1.00 33.21 O ATOM 1167 CB GLU A 75 28.420 -3.240 -8.397 1.00 63.24 C ATOM 1168 CG GLU A 75 27.879 -2.589 -7.136 1.00 2.31 C ATOM 1169 CD GLU A 75 27.277 -1.222 -7.397 1.00 51.14 C ATOM 1170 OE1 GLU A 75 26.091 -1.159 -7.784 1.00 64.43 O ATOM 1171 OE2 GLU A 75 27.992 -0.214 -7.214 1.00 70.45 O ATOM 0 H GLU A 75 30.288 -4.892 -9.670 1.00 73.31 H new ATOM 0 HA GLU A 75 28.724 -4.971 -7.159 1.00 72.03 H new ATOM 0 HB2 GLU A 75 29.303 -2.693 -8.728 1.00 63.24 H new ATOM 0 HB3 GLU A 75 27.676 -3.153 -9.189 1.00 63.24 H new ATOM 0 HG2 GLU A 75 27.122 -3.237 -6.693 1.00 2.31 H new ATOM 0 HG3 GLU A 75 28.684 -2.494 -6.407 1.00 2.31 H new ATOM 1178 N CYS A 76 27.264 -6.601 -8.310 1.00 22.43 N ATOM 1179 CA CYS A 76 26.310 -7.515 -8.927 1.00 44.33 C ATOM 1180 C CYS A 76 24.920 -7.338 -8.325 1.00 34.02 C ATOM 1181 O CYS A 76 24.744 -7.419 -7.109 1.00 54.41 O ATOM 1182 CB CYS A 76 26.773 -8.963 -8.754 1.00 2.33 C ATOM 1183 SG CYS A 76 27.614 -9.655 -10.214 1.00 50.31 S ATOM 0 H CYS A 76 27.473 -6.807 -7.333 1.00 22.43 H new ATOM 0 HA CYS A 76 26.258 -7.282 -9.991 1.00 44.33 H new ATOM 0 HB2 CYS A 76 27.448 -9.018 -7.900 1.00 2.33 H new ATOM 0 HB3 CYS A 76 25.909 -9.584 -8.518 1.00 2.33 H new ATOM 1188 N SER A 77 23.935 -7.097 -9.184 1.00 53.12 N ATOM 1189 CA SER A 77 22.560 -6.905 -8.737 1.00 60.22 C ATOM 1190 C SER A 77 21.743 -8.179 -8.931 1.00 40.14 C ATOM 1191 O SER A 77 22.037 -8.989 -9.811 1.00 33.53 O ATOM 1192 CB SER A 77 21.911 -5.748 -9.499 1.00 35.13 C ATOM 1193 OG SER A 77 22.889 -4.852 -9.997 1.00 21.23 O ATOM 0 H SER A 77 24.063 -7.030 -10.194 1.00 53.12 H new ATOM 0 HA SER A 77 22.579 -6.665 -7.674 1.00 60.22 H new ATOM 0 HB2 SER A 77 21.318 -6.140 -10.325 1.00 35.13 H new ATOM 0 HB3 SER A 77 21.226 -5.214 -8.841 1.00 35.13 H new ATOM 0 HG SER A 77 22.448 -4.123 -10.481 1.00 21.23 H new ATOM 1199 N ILE A 78 20.717 -8.348 -8.104 1.00 52.25 N ATOM 1200 CA ILE A 78 19.856 -9.522 -8.185 1.00 44.42 C ATOM 1201 C ILE A 78 18.386 -9.133 -8.080 1.00 34.30 C ATOM 1202 O ILE A 78 18.011 -8.291 -7.263 1.00 65.11 O ATOM 1203 CB ILE A 78 20.188 -10.540 -7.078 1.00 14.40 C ATOM 1204 CG1 ILE A 78 21.663 -10.940 -7.148 1.00 34.13 C ATOM 1205 CG2 ILE A 78 19.294 -11.765 -7.201 1.00 0.25 C ATOM 1206 CD1 ILE A 78 22.523 -10.259 -6.107 1.00 25.21 C ATOM 0 H ILE A 78 20.461 -7.687 -7.370 1.00 52.25 H new ATOM 0 HA ILE A 78 20.038 -9.982 -9.156 1.00 44.42 H new ATOM 0 HB ILE A 78 20.004 -10.075 -6.109 1.00 14.40 H new ATOM 0 HG12 ILE A 78 21.745 -12.020 -7.025 1.00 34.13 H new ATOM 0 HG13 ILE A 78 22.049 -10.702 -8.139 1.00 34.13 H new ATOM 0 HG21 ILE A 78 19.540 -12.476 -6.412 1.00 0.25 H new ATOM 0 HG22 ILE A 78 18.250 -11.465 -7.106 1.00 0.25 H new ATOM 0 HG23 ILE A 78 19.450 -12.233 -8.173 1.00 0.25 H new ATOM 0 HD11 ILE A 78 23.556 -10.590 -6.216 1.00 25.21 H new ATOM 0 HD12 ILE A 78 22.471 -9.179 -6.243 1.00 25.21 H new ATOM 0 HD13 ILE A 78 22.162 -10.517 -5.111 1.00 25.21 H new ATOM 1218 N HIS A 79 17.554 -9.754 -8.911 1.00 23.20 N ATOM 1219 CA HIS A 79 16.123 -9.475 -8.910 1.00 74.41 C ATOM 1220 C HIS A 79 15.330 -10.703 -8.471 1.00 3.05 C ATOM 1221 O HIS A 79 15.647 -11.830 -8.855 1.00 52.52 O ATOM 1222 CB HIS A 79 15.667 -9.031 -10.300 1.00 63.04 C ATOM 1223 CG HIS A 79 16.560 -8.002 -10.922 1.00 52.34 C ATOM 1224 ND1 HIS A 79 17.255 -8.217 -12.093 1.00 64.43 N ATOM 1225 CD2 HIS A 79 16.867 -6.743 -10.530 1.00 61.14 C ATOM 1226 CE1 HIS A 79 17.953 -7.137 -12.394 1.00 3.33 C ATOM 1227 NE2 HIS A 79 17.735 -6.227 -11.461 1.00 72.13 N ATOM 0 H HIS A 79 17.847 -10.453 -9.593 1.00 23.20 H new ATOM 0 HA HIS A 79 15.936 -8.670 -8.200 1.00 74.41 H new ATOM 0 HB2 HIS A 79 15.620 -9.902 -10.953 1.00 63.04 H new ATOM 0 HB3 HIS A 79 14.656 -8.629 -10.231 1.00 63.04 H new ATOM 0 HD2 HIS A 79 16.498 -6.238 -9.649 1.00 61.14 H new ATOM 0 HE1 HIS A 79 18.593 -7.018 -13.256 1.00 3.33 H new ATOM 0 HE2 HIS A 79 18.145 -5.293 -11.436 1.00 72.13 H new ATOM 1235 N LEU A 80 14.300 -10.478 -7.663 1.00 2.14 N ATOM 1236 CA LEU A 80 13.462 -11.566 -7.170 1.00 4.12 C ATOM 1237 C LEU A 80 12.010 -11.119 -7.040 1.00 52.15 C ATOM 1238 O LEU A 80 11.728 -9.932 -6.883 1.00 0.44 O ATOM 1239 CB LEU A 80 13.978 -12.060 -5.817 1.00 61.52 C ATOM 1240 CG LEU A 80 13.148 -13.152 -5.141 1.00 12.34 C ATOM 1241 CD1 LEU A 80 14.037 -14.058 -4.304 1.00 4.45 C ATOM 1242 CD2 LEU A 80 12.054 -12.534 -4.282 1.00 33.21 C ATOM 0 H LEU A 80 14.025 -9.552 -7.335 1.00 2.14 H new ATOM 0 HA LEU A 80 13.508 -12.383 -7.891 1.00 4.12 H new ATOM 0 HB2 LEU A 80 14.993 -12.434 -5.952 1.00 61.52 H new ATOM 0 HB3 LEU A 80 14.040 -11.207 -5.141 1.00 61.52 H new ATOM 0 HG LEU A 80 12.677 -13.756 -5.916 1.00 12.34 H new ATOM 0 HD11 LEU A 80 13.428 -14.829 -3.831 1.00 4.45 H new ATOM 0 HD12 LEU A 80 14.784 -14.528 -4.944 1.00 4.45 H new ATOM 0 HD13 LEU A 80 14.537 -13.468 -3.536 1.00 4.45 H new ATOM 0 HD21 LEU A 80 11.473 -13.325 -3.808 1.00 33.21 H new ATOM 0 HD22 LEU A 80 12.506 -11.906 -3.514 1.00 33.21 H new ATOM 0 HD23 LEU A 80 11.399 -11.928 -4.908 1.00 33.21 H new ATOM 1254 N GLU A 81 11.092 -12.079 -7.107 1.00 4.23 N ATOM 1255 CA GLU A 81 9.669 -11.783 -6.995 1.00 71.04 C ATOM 1256 C GLU A 81 9.008 -12.676 -5.949 1.00 72.14 C ATOM 1257 O GLU A 81 8.957 -13.897 -6.102 1.00 1.34 O ATOM 1258 CB GLU A 81 8.980 -11.968 -8.349 1.00 14.21 C ATOM 1259 CG GLU A 81 9.217 -10.819 -9.315 1.00 23.22 C ATOM 1260 CD GLU A 81 10.219 -11.166 -10.399 1.00 25.25 C ATOM 1261 OE1 GLU A 81 11.308 -11.676 -10.060 1.00 11.12 O ATOM 1262 OE2 GLU A 81 9.915 -10.928 -11.586 1.00 55.10 O ATOM 0 H GLU A 81 11.309 -13.067 -7.238 1.00 4.23 H new ATOM 0 HA GLU A 81 9.563 -10.745 -6.680 1.00 71.04 H new ATOM 0 HB2 GLU A 81 9.334 -12.893 -8.804 1.00 14.21 H new ATOM 0 HB3 GLU A 81 7.908 -12.082 -8.189 1.00 14.21 H new ATOM 0 HG2 GLU A 81 8.271 -10.536 -9.777 1.00 23.22 H new ATOM 0 HG3 GLU A 81 9.573 -9.951 -8.761 1.00 23.22 H new ATOM 1269 N VAL A 82 8.503 -12.058 -4.886 1.00 75.34 N ATOM 1270 CA VAL A 82 7.844 -12.796 -3.815 1.00 10.22 C ATOM 1271 C VAL A 82 6.340 -12.882 -4.050 1.00 42.43 C ATOM 1272 O VAL A 82 5.624 -11.888 -3.921 1.00 31.44 O ATOM 1273 CB VAL A 82 8.101 -12.143 -2.444 1.00 4.03 C ATOM 1274 CG1 VAL A 82 7.769 -13.112 -1.320 1.00 35.33 C ATOM 1275 CG2 VAL A 82 9.544 -11.670 -2.342 1.00 33.25 C ATOM 0 H VAL A 82 8.538 -11.049 -4.744 1.00 75.34 H new ATOM 0 HA VAL A 82 8.267 -13.801 -3.817 1.00 10.22 H new ATOM 0 HB VAL A 82 7.450 -11.275 -2.347 1.00 4.03 H new ATOM 0 HG11 VAL A 82 7.957 -12.633 -0.359 1.00 35.33 H new ATOM 0 HG12 VAL A 82 6.719 -13.397 -1.384 1.00 35.33 H new ATOM 0 HG13 VAL A 82 8.393 -14.001 -1.410 1.00 35.33 H new ATOM 0 HG21 VAL A 82 9.708 -11.211 -1.367 1.00 33.25 H new ATOM 0 HG22 VAL A 82 10.215 -12.521 -2.460 1.00 33.25 H new ATOM 0 HG23 VAL A 82 9.743 -10.939 -3.125 1.00 33.25 H new ATOM 1285 N ILE A 83 5.868 -14.074 -4.397 1.00 23.45 N ATOM 1286 CA ILE A 83 4.449 -14.290 -4.648 1.00 71.15 C ATOM 1287 C ILE A 83 3.676 -14.445 -3.343 1.00 1.30 C ATOM 1288 O ILE A 83 4.184 -15.002 -2.370 1.00 65.53 O ATOM 1289 CB ILE A 83 4.215 -15.538 -5.521 1.00 42.50 C ATOM 1290 CG1 ILE A 83 5.216 -15.573 -6.677 1.00 44.45 C ATOM 1291 CG2 ILE A 83 2.788 -15.555 -6.048 1.00 61.40 C ATOM 1292 CD1 ILE A 83 6.305 -16.608 -6.503 1.00 60.31 C ATOM 0 H ILE A 83 6.448 -14.905 -4.511 1.00 23.45 H new ATOM 0 HA ILE A 83 4.086 -13.411 -5.180 1.00 71.15 H new ATOM 0 HB ILE A 83 4.366 -16.426 -4.908 1.00 42.50 H new ATOM 0 HG12 ILE A 83 4.680 -15.774 -7.605 1.00 44.45 H new ATOM 0 HG13 ILE A 83 5.674 -14.589 -6.780 1.00 44.45 H new ATOM 0 HG21 ILE A 83 2.638 -16.442 -6.663 1.00 61.40 H new ATOM 0 HG22 ILE A 83 2.091 -15.572 -5.210 1.00 61.40 H new ATOM 0 HG23 ILE A 83 2.611 -14.663 -6.649 1.00 61.40 H new ATOM 0 HD11 ILE A 83 6.978 -16.576 -7.360 1.00 60.31 H new ATOM 0 HD12 ILE A 83 6.866 -16.396 -5.593 1.00 60.31 H new ATOM 0 HD13 ILE A 83 5.857 -17.599 -6.431 1.00 60.31 H new ATOM 1304 N VAL A 84 2.443 -13.948 -3.329 1.00 61.22 N ATOM 1305 CA VAL A 84 1.598 -14.034 -2.144 1.00 51.42 C ATOM 1306 C VAL A 84 0.123 -14.107 -2.525 1.00 45.20 C ATOM 1307 O VAL A 84 -0.347 -13.351 -3.375 1.00 50.50 O ATOM 1308 CB VAL A 84 1.816 -12.828 -1.211 1.00 5.01 C ATOM 1309 CG1 VAL A 84 3.281 -12.716 -0.817 1.00 45.13 C ATOM 1310 CG2 VAL A 84 1.335 -11.547 -1.874 1.00 54.34 C ATOM 0 H VAL A 84 2.007 -13.482 -4.125 1.00 61.22 H new ATOM 0 HA VAL A 84 1.881 -14.946 -1.619 1.00 51.42 H new ATOM 0 HB VAL A 84 1.231 -12.982 -0.304 1.00 5.01 H new ATOM 0 HG11 VAL A 84 3.416 -11.858 -0.158 1.00 45.13 H new ATOM 0 HG12 VAL A 84 3.589 -13.624 -0.299 1.00 45.13 H new ATOM 0 HG13 VAL A 84 3.889 -12.585 -1.712 1.00 45.13 H new ATOM 0 HG21 VAL A 84 1.497 -10.706 -1.200 1.00 54.34 H new ATOM 0 HG22 VAL A 84 1.891 -11.384 -2.798 1.00 54.34 H new ATOM 0 HG23 VAL A 84 0.272 -11.631 -2.100 1.00 54.34 H new ATOM 1320 N ASP A 85 -0.601 -15.022 -1.890 1.00 40.43 N ATOM 1321 CA ASP A 85 -2.024 -15.193 -2.161 1.00 24.11 C ATOM 1322 C ASP A 85 -2.867 -14.491 -1.101 1.00 21.42 C ATOM 1323 O ASP A 85 -2.797 -14.824 0.082 1.00 32.53 O ATOM 1324 CB ASP A 85 -2.379 -16.680 -2.212 1.00 14.34 C ATOM 1325 CG ASP A 85 -3.230 -17.031 -3.417 1.00 1.35 C ATOM 1326 OD1 ASP A 85 -2.653 -17.346 -4.478 1.00 22.42 O ATOM 1327 OD2 ASP A 85 -4.473 -16.989 -3.298 1.00 43.04 O ATOM 0 H ASP A 85 -0.227 -15.656 -1.185 1.00 40.43 H new ATOM 0 HA ASP A 85 -2.242 -14.742 -3.129 1.00 24.11 H new ATOM 0 HB2 ASP A 85 -1.462 -17.269 -2.234 1.00 14.34 H new ATOM 0 HB3 ASP A 85 -2.912 -16.955 -1.302 1.00 14.34 H new ATOM 1332 N ARG A 86 -3.662 -13.518 -1.533 1.00 61.22 N ATOM 1333 CA ARG A 86 -4.517 -12.768 -0.621 1.00 43.10 C ATOM 1334 C ARG A 86 -3.682 -11.893 0.310 1.00 34.33 C ATOM 1335 O ARG A 86 -3.349 -12.279 1.431 1.00 64.21 O ATOM 1336 CB ARG A 86 -5.385 -13.723 0.200 1.00 24.04 C ATOM 1337 CG ARG A 86 -5.997 -14.847 -0.619 1.00 62.13 C ATOM 1338 CD ARG A 86 -7.176 -15.483 0.100 1.00 13.40 C ATOM 1339 NE ARG A 86 -8.436 -15.248 -0.601 1.00 62.43 N ATOM 1340 CZ ARG A 86 -8.761 -15.841 -1.745 1.00 13.32 C ATOM 1341 NH1 ARG A 86 -7.925 -16.698 -2.313 1.00 23.33 N ATOM 1342 NH2 ARG A 86 -9.926 -15.576 -2.322 1.00 73.03 N ATOM 0 H ARG A 86 -3.732 -13.230 -2.509 1.00 61.22 H new ATOM 0 HA ARG A 86 -5.163 -12.122 -1.216 1.00 43.10 H new ATOM 0 HB2 ARG A 86 -4.781 -14.154 0.998 1.00 24.04 H new ATOM 0 HB3 ARG A 86 -6.184 -13.155 0.676 1.00 24.04 H new ATOM 0 HG2 ARG A 86 -6.324 -14.459 -1.584 1.00 62.13 H new ATOM 0 HG3 ARG A 86 -5.240 -15.605 -0.820 1.00 62.13 H new ATOM 0 HD2 ARG A 86 -7.008 -16.556 0.193 1.00 13.40 H new ATOM 0 HD3 ARG A 86 -7.243 -15.082 1.111 1.00 13.40 H new ATOM 0 HE ARG A 86 -9.102 -14.594 -0.190 1.00 62.43 H new ATOM 0 HH11 ARG A 86 -7.029 -16.904 -1.872 1.00 23.33 H new ATOM 0 HH12 ARG A 86 -8.178 -17.151 -3.191 1.00 23.33 H new ATOM 0 HH21 ARG A 86 -10.572 -14.917 -1.888 1.00 73.03 H new ATOM 0 HH22 ARG A 86 -10.175 -16.031 -3.200 1.00 73.03 H new ATOM 1356 N PRO A 87 -3.336 -10.687 -0.163 1.00 13.13 N ATOM 1357 CA PRO A 87 -3.727 -10.217 -1.495 1.00 73.01 C ATOM 1358 C PRO A 87 -3.007 -10.969 -2.609 1.00 53.13 C ATOM 1359 O PRO A 87 -1.953 -11.566 -2.388 1.00 61.25 O ATOM 1360 CB PRO A 87 -3.311 -8.744 -1.488 1.00 61.01 C ATOM 1361 CG PRO A 87 -2.211 -8.666 -0.487 1.00 24.22 C ATOM 1362 CD PRO A 87 -2.536 -9.689 0.567 1.00 52.34 C ATOM 0 HA PRO A 87 -4.789 -10.373 -1.687 1.00 73.01 H new ATOM 0 HB2 PRO A 87 -2.973 -8.423 -2.473 1.00 61.01 H new ATOM 0 HB3 PRO A 87 -4.145 -8.098 -1.211 1.00 61.01 H new ATOM 0 HG2 PRO A 87 -1.247 -8.876 -0.950 1.00 24.22 H new ATOM 0 HG3 PRO A 87 -2.147 -7.667 -0.055 1.00 24.22 H new ATOM 0 HD2 PRO A 87 -1.634 -10.129 0.992 1.00 52.34 H new ATOM 0 HD3 PRO A 87 -3.096 -9.251 1.393 1.00 52.34 H new ATOM 1370 N LEU A 88 -3.582 -10.935 -3.806 1.00 70.54 N ATOM 1371 CA LEU A 88 -2.994 -11.614 -4.956 1.00 53.25 C ATOM 1372 C LEU A 88 -2.046 -10.686 -5.709 1.00 62.44 C ATOM 1373 O LEU A 88 -2.482 -9.802 -6.445 1.00 13.41 O ATOM 1374 CB LEU A 88 -4.094 -12.111 -5.897 1.00 44.51 C ATOM 1375 CG LEU A 88 -4.336 -13.620 -5.908 1.00 62.32 C ATOM 1376 CD1 LEU A 88 -3.048 -14.365 -6.226 1.00 34.04 C ATOM 1377 CD2 LEU A 88 -4.904 -14.079 -4.573 1.00 73.24 C ATOM 0 H LEU A 88 -4.454 -10.445 -4.006 1.00 70.54 H new ATOM 0 HA LEU A 88 -2.424 -12.468 -4.591 1.00 53.25 H new ATOM 0 HB2 LEU A 88 -5.027 -11.616 -5.627 1.00 44.51 H new ATOM 0 HB3 LEU A 88 -3.847 -11.795 -6.911 1.00 44.51 H new ATOM 0 HG LEU A 88 -5.064 -13.846 -6.687 1.00 62.32 H new ATOM 0 HD11 LEU A 88 -3.240 -15.438 -6.229 1.00 34.04 H new ATOM 0 HD12 LEU A 88 -2.683 -14.058 -7.206 1.00 34.04 H new ATOM 0 HD13 LEU A 88 -2.297 -14.133 -5.470 1.00 34.04 H new ATOM 0 HD21 LEU A 88 -5.070 -15.156 -4.599 1.00 73.24 H new ATOM 0 HD22 LEU A 88 -4.200 -13.840 -3.776 1.00 73.24 H new ATOM 0 HD23 LEU A 88 -5.850 -13.571 -4.386 1.00 73.24 H new ATOM 1389 N GLN A 89 -0.747 -10.897 -5.522 1.00 30.44 N ATOM 1390 CA GLN A 89 0.263 -10.081 -6.185 1.00 12.03 C ATOM 1391 C GLN A 89 1.667 -10.544 -5.813 1.00 25.03 C ATOM 1392 O GLN A 89 1.838 -11.543 -5.113 1.00 43.43 O ATOM 1393 CB GLN A 89 0.083 -8.608 -5.812 1.00 62.25 C ATOM 1394 CG GLN A 89 -0.045 -8.370 -4.317 1.00 12.04 C ATOM 1395 CD GLN A 89 0.279 -6.942 -3.923 1.00 62.40 C ATOM 1396 OE1 GLN A 89 0.102 -6.013 -4.711 1.00 72.34 O ATOM 1397 NE2 GLN A 89 0.757 -6.760 -2.698 1.00 5.02 N ATOM 0 H GLN A 89 -0.369 -11.626 -4.917 1.00 30.44 H new ATOM 0 HA GLN A 89 0.137 -10.194 -7.262 1.00 12.03 H new ATOM 0 HB2 GLN A 89 0.933 -8.040 -6.190 1.00 62.25 H new ATOM 0 HB3 GLN A 89 -0.806 -8.222 -6.310 1.00 62.25 H new ATOM 0 HG2 GLN A 89 -1.060 -8.609 -4.001 1.00 12.04 H new ATOM 0 HG3 GLN A 89 0.622 -9.049 -3.786 1.00 12.04 H new ATOM 0 HE21 GLN A 89 0.888 -7.559 -2.078 1.00 5.02 H new ATOM 0 HE22 GLN A 89 0.993 -5.821 -2.377 1.00 5.02 H new ATOM 1406 N VAL A 90 2.671 -9.812 -6.285 1.00 43.13 N ATOM 1407 CA VAL A 90 4.062 -10.147 -6.002 1.00 14.13 C ATOM 1408 C VAL A 90 4.824 -8.934 -5.480 1.00 52.13 C ATOM 1409 O VAL A 90 4.438 -7.791 -5.728 1.00 63.23 O ATOM 1410 CB VAL A 90 4.775 -10.688 -7.255 1.00 23.33 C ATOM 1411 CG1 VAL A 90 4.569 -12.190 -7.380 1.00 21.11 C ATOM 1412 CG2 VAL A 90 4.282 -9.968 -8.501 1.00 25.31 C ATOM 0 H VAL A 90 2.547 -8.983 -6.866 1.00 43.13 H new ATOM 0 HA VAL A 90 4.052 -10.923 -5.236 1.00 14.13 H new ATOM 0 HB VAL A 90 5.844 -10.499 -7.154 1.00 23.33 H new ATOM 0 HG11 VAL A 90 5.080 -12.554 -8.271 1.00 21.11 H new ATOM 0 HG12 VAL A 90 4.976 -12.688 -6.500 1.00 21.11 H new ATOM 0 HG13 VAL A 90 3.503 -12.406 -7.459 1.00 21.11 H new ATOM 0 HG21 VAL A 90 4.797 -10.363 -9.377 1.00 25.31 H new ATOM 0 HG22 VAL A 90 3.209 -10.123 -8.610 1.00 25.31 H new ATOM 0 HG23 VAL A 90 4.487 -8.901 -8.410 1.00 25.31 H new ATOM 1422 N PHE A 91 5.909 -9.190 -4.757 1.00 14.14 N ATOM 1423 CA PHE A 91 6.726 -8.119 -4.199 1.00 40.31 C ATOM 1424 C PHE A 91 8.084 -8.054 -4.892 1.00 22.34 C ATOM 1425 O PHE A 91 8.860 -9.010 -4.852 1.00 73.24 O ATOM 1426 CB PHE A 91 6.917 -8.324 -2.695 1.00 20.30 C ATOM 1427 CG PHE A 91 5.644 -8.202 -1.907 1.00 23.12 C ATOM 1428 CD1 PHE A 91 4.877 -7.051 -1.979 1.00 40.41 C ATOM 1429 CD2 PHE A 91 5.215 -9.239 -1.094 1.00 52.13 C ATOM 1430 CE1 PHE A 91 3.706 -6.935 -1.254 1.00 71.52 C ATOM 1431 CE2 PHE A 91 4.044 -9.130 -0.367 1.00 42.34 C ATOM 1432 CZ PHE A 91 3.288 -7.977 -0.448 1.00 44.34 C ATOM 0 H PHE A 91 6.243 -10.130 -4.544 1.00 14.14 H new ATOM 0 HA PHE A 91 6.207 -7.175 -4.366 1.00 40.31 H new ATOM 0 HB2 PHE A 91 7.348 -9.310 -2.523 1.00 20.30 H new ATOM 0 HB3 PHE A 91 7.635 -7.593 -2.325 1.00 20.30 H new ATOM 0 HD1 PHE A 91 5.198 -6.235 -2.609 1.00 40.41 H new ATOM 0 HD2 PHE A 91 5.802 -10.143 -1.027 1.00 52.13 H new ATOM 0 HE1 PHE A 91 3.118 -6.031 -1.317 1.00 71.52 H new ATOM 0 HE2 PHE A 91 3.721 -9.945 0.263 1.00 42.34 H new ATOM 0 HZ PHE A 91 2.372 -7.890 0.117 1.00 44.34 H new ATOM 1442 N HIS A 92 8.365 -6.920 -5.526 1.00 61.51 N ATOM 1443 CA HIS A 92 9.630 -6.730 -6.228 1.00 34.21 C ATOM 1444 C HIS A 92 10.790 -6.642 -5.242 1.00 24.32 C ATOM 1445 O HIS A 92 10.896 -5.685 -4.475 1.00 34.13 O ATOM 1446 CB HIS A 92 9.576 -5.465 -7.085 1.00 21.21 C ATOM 1447 CG HIS A 92 10.108 -5.658 -8.471 1.00 64.05 C ATOM 1448 ND1 HIS A 92 11.387 -6.105 -8.731 1.00 52.45 N ATOM 1449 CD2 HIS A 92 9.527 -5.464 -9.678 1.00 54.11 C ATOM 1450 CE1 HIS A 92 11.569 -6.175 -10.038 1.00 70.10 C ATOM 1451 NE2 HIS A 92 10.455 -5.792 -10.635 1.00 71.13 N ATOM 0 H HIS A 92 7.735 -6.119 -5.568 1.00 61.51 H new ATOM 0 HA HIS A 92 9.792 -7.592 -6.875 1.00 34.21 H new ATOM 0 HB2 HIS A 92 8.544 -5.121 -7.146 1.00 21.21 H new ATOM 0 HB3 HIS A 92 10.146 -4.677 -6.592 1.00 21.21 H new ATOM 0 HD2 HIS A 92 8.520 -5.116 -9.855 1.00 54.11 H new ATOM 0 HE1 HIS A 92 12.475 -6.492 -10.534 1.00 70.10 H new ATOM 0 HE2 HIS A 92 10.308 -5.747 -11.643 1.00 71.13 H new ATOM 1459 N VAL A 93 11.660 -7.648 -5.267 1.00 53.41 N ATOM 1460 CA VAL A 93 12.813 -7.684 -4.376 1.00 1.31 C ATOM 1461 C VAL A 93 14.114 -7.514 -5.153 1.00 54.11 C ATOM 1462 O VAL A 93 14.295 -8.108 -6.215 1.00 53.35 O ATOM 1463 CB VAL A 93 12.870 -9.004 -3.584 1.00 55.41 C ATOM 1464 CG1 VAL A 93 14.137 -9.070 -2.746 1.00 63.02 C ATOM 1465 CG2 VAL A 93 11.634 -9.153 -2.709 1.00 50.04 C ATOM 0 H VAL A 93 11.587 -8.448 -5.895 1.00 53.41 H new ATOM 0 HA VAL A 93 12.699 -6.855 -3.678 1.00 1.31 H new ATOM 0 HB VAL A 93 12.888 -9.832 -4.292 1.00 55.41 H new ATOM 0 HG11 VAL A 93 14.159 -10.009 -2.194 1.00 63.02 H new ATOM 0 HG12 VAL A 93 15.008 -9.012 -3.398 1.00 63.02 H new ATOM 0 HG13 VAL A 93 14.153 -8.236 -2.044 1.00 63.02 H new ATOM 0 HG21 VAL A 93 11.690 -10.091 -2.156 1.00 50.04 H new ATOM 0 HG22 VAL A 93 11.583 -8.321 -2.007 1.00 50.04 H new ATOM 0 HG23 VAL A 93 10.742 -9.154 -3.336 1.00 50.04 H new ATOM 1475 N GLU A 94 15.016 -6.700 -4.615 1.00 42.51 N ATOM 1476 CA GLU A 94 16.301 -6.452 -5.259 1.00 53.23 C ATOM 1477 C GLU A 94 17.435 -6.481 -4.239 1.00 44.04 C ATOM 1478 O GLU A 94 17.585 -5.562 -3.434 1.00 42.01 O ATOM 1479 CB GLU A 94 16.283 -5.102 -5.980 1.00 71.33 C ATOM 1480 CG GLU A 94 15.169 -4.975 -7.006 1.00 43.12 C ATOM 1481 CD GLU A 94 14.050 -4.062 -6.542 1.00 65.45 C ATOM 1482 OE1 GLU A 94 14.202 -2.829 -6.663 1.00 12.12 O ATOM 1483 OE2 GLU A 94 13.023 -4.583 -6.059 1.00 40.14 O ATOM 0 H GLU A 94 14.881 -6.201 -3.736 1.00 42.51 H new ATOM 0 HA GLU A 94 16.472 -7.243 -5.989 1.00 53.23 H new ATOM 0 HB2 GLU A 94 16.178 -4.307 -5.242 1.00 71.33 H new ATOM 0 HB3 GLU A 94 17.242 -4.952 -6.476 1.00 71.33 H new ATOM 0 HG2 GLU A 94 15.582 -4.592 -7.939 1.00 43.12 H new ATOM 0 HG3 GLU A 94 14.762 -5.963 -7.219 1.00 43.12 H new ATOM 1490 N VAL A 95 18.232 -7.544 -4.280 1.00 24.10 N ATOM 1491 CA VAL A 95 19.354 -7.694 -3.361 1.00 21.13 C ATOM 1492 C VAL A 95 20.684 -7.504 -4.081 1.00 2.10 C ATOM 1493 O VAL A 95 20.910 -8.073 -5.148 1.00 54.04 O ATOM 1494 CB VAL A 95 19.343 -9.077 -2.683 1.00 21.12 C ATOM 1495 CG1 VAL A 95 18.117 -9.227 -1.796 1.00 35.51 C ATOM 1496 CG2 VAL A 95 19.395 -10.182 -3.727 1.00 31.21 C ATOM 0 H VAL A 95 18.121 -8.314 -4.940 1.00 24.10 H new ATOM 0 HA VAL A 95 19.244 -6.923 -2.599 1.00 21.13 H new ATOM 0 HB VAL A 95 20.229 -9.161 -2.054 1.00 21.12 H new ATOM 0 HG11 VAL A 95 18.126 -10.210 -1.325 1.00 35.51 H new ATOM 0 HG12 VAL A 95 18.129 -8.456 -1.026 1.00 35.51 H new ATOM 0 HG13 VAL A 95 17.216 -9.123 -2.400 1.00 35.51 H new ATOM 0 HG21 VAL A 95 19.387 -11.152 -3.231 1.00 31.21 H new ATOM 0 HG22 VAL A 95 18.529 -10.103 -4.384 1.00 31.21 H new ATOM 0 HG23 VAL A 95 20.307 -10.084 -4.316 1.00 31.21 H new ATOM 1506 N GLU A 96 21.562 -6.700 -3.489 1.00 21.11 N ATOM 1507 CA GLU A 96 22.871 -6.435 -4.075 1.00 55.13 C ATOM 1508 C GLU A 96 23.982 -7.039 -3.222 1.00 32.32 C ATOM 1509 O GLU A 96 23.818 -7.236 -2.018 1.00 1.34 O ATOM 1510 CB GLU A 96 23.091 -4.928 -4.226 1.00 75.22 C ATOM 1511 CG GLU A 96 22.961 -4.434 -5.657 1.00 75.53 C ATOM 1512 CD GLU A 96 22.621 -2.959 -5.737 1.00 3.33 C ATOM 1513 OE1 GLU A 96 21.709 -2.520 -5.006 1.00 34.24 O ATOM 1514 OE2 GLU A 96 23.268 -2.243 -6.529 1.00 53.54 O ATOM 0 H GLU A 96 21.391 -6.221 -2.605 1.00 21.11 H new ATOM 0 HA GLU A 96 22.900 -6.900 -5.060 1.00 55.13 H new ATOM 0 HB2 GLU A 96 22.371 -4.400 -3.601 1.00 75.22 H new ATOM 0 HB3 GLU A 96 24.083 -4.675 -3.852 1.00 75.22 H new ATOM 0 HG2 GLU A 96 23.896 -4.617 -6.187 1.00 75.53 H new ATOM 0 HG3 GLU A 96 22.188 -5.009 -6.167 1.00 75.53 H new ATOM 1521 N VAL A 97 25.113 -7.333 -3.855 1.00 42.31 N ATOM 1522 CA VAL A 97 26.252 -7.914 -3.155 1.00 64.12 C ATOM 1523 C VAL A 97 27.235 -6.835 -2.714 1.00 64.43 C ATOM 1524 O VAL A 97 27.478 -5.869 -3.437 1.00 55.15 O ATOM 1525 CB VAL A 97 26.992 -8.937 -4.038 1.00 55.35 C ATOM 1526 CG1 VAL A 97 26.203 -10.234 -4.127 1.00 60.43 C ATOM 1527 CG2 VAL A 97 27.243 -8.360 -5.424 1.00 21.34 C ATOM 0 H VAL A 97 25.265 -7.178 -4.852 1.00 42.31 H new ATOM 0 HA VAL A 97 25.857 -8.423 -2.276 1.00 64.12 H new ATOM 0 HB VAL A 97 27.956 -9.157 -3.580 1.00 55.35 H new ATOM 0 HG11 VAL A 97 26.741 -10.945 -4.755 1.00 60.43 H new ATOM 0 HG12 VAL A 97 26.078 -10.653 -3.129 1.00 60.43 H new ATOM 0 HG13 VAL A 97 25.223 -10.035 -4.562 1.00 60.43 H new ATOM 0 HG21 VAL A 97 27.767 -9.095 -6.035 1.00 21.34 H new ATOM 0 HG22 VAL A 97 26.291 -8.111 -5.892 1.00 21.34 H new ATOM 0 HG23 VAL A 97 27.852 -7.460 -5.339 1.00 21.34 H new ATOM 1537 N ARG A 98 27.800 -7.008 -1.523 1.00 55.44 N ATOM 1538 CA ARG A 98 28.756 -6.048 -0.985 1.00 63.23 C ATOM 1539 C ARG A 98 30.124 -6.695 -0.791 1.00 65.32 C ATOM 1540 O ARG A 98 30.269 -7.646 -0.023 1.00 21.40 O ATOM 1541 CB ARG A 98 28.253 -5.485 0.345 1.00 21.43 C ATOM 1542 CG ARG A 98 28.972 -4.220 0.782 1.00 3.41 C ATOM 1543 CD ARG A 98 29.232 -4.216 2.280 1.00 4.44 C ATOM 1544 NE ARG A 98 30.658 -4.291 2.589 1.00 71.34 N ATOM 1545 CZ ARG A 98 31.157 -4.115 3.807 1.00 33.21 C ATOM 1546 NH1 ARG A 98 30.349 -3.855 4.826 1.00 25.13 N ATOM 1547 NH2 ARG A 98 32.466 -4.200 4.008 1.00 14.32 N ATOM 0 H ARG A 98 27.612 -7.804 -0.913 1.00 55.44 H new ATOM 0 HA ARG A 98 28.856 -5.233 -1.701 1.00 63.23 H new ATOM 0 HB2 ARG A 98 27.187 -5.276 0.261 1.00 21.43 H new ATOM 0 HB3 ARG A 98 28.369 -6.244 1.118 1.00 21.43 H new ATOM 0 HG2 ARG A 98 29.918 -4.135 0.247 1.00 3.41 H new ATOM 0 HG3 ARG A 98 28.374 -3.349 0.513 1.00 3.41 H new ATOM 0 HD2 ARG A 98 28.813 -3.310 2.718 1.00 4.44 H new ATOM 0 HD3 ARG A 98 28.717 -5.060 2.739 1.00 4.44 H new ATOM 0 HE ARG A 98 31.306 -4.490 1.827 1.00 71.34 H new ATOM 0 HH11 ARG A 98 29.342 -3.790 4.675 1.00 25.13 H new ATOM 0 HH12 ARG A 98 30.734 -3.720 5.761 1.00 25.13 H new ATOM 0 HH21 ARG A 98 33.090 -4.401 3.226 1.00 14.32 H new ATOM 0 HH22 ARG A 98 32.848 -4.065 4.944 1.00 14.32 H new ATOM 1561 N ASP A 99 31.125 -6.174 -1.493 1.00 14.43 N ATOM 1562 CA ASP A 99 32.481 -6.700 -1.398 1.00 4.35 C ATOM 1563 C ASP A 99 33.444 -5.876 -2.247 1.00 25.11 C ATOM 1564 O ASP A 99 33.072 -4.838 -2.794 1.00 41.23 O ATOM 1565 CB ASP A 99 32.516 -8.163 -1.840 1.00 32.54 C ATOM 1566 CG ASP A 99 32.976 -9.092 -0.733 1.00 14.12 C ATOM 1567 OD1 ASP A 99 32.144 -9.445 0.130 1.00 2.50 O ATOM 1568 OD2 ASP A 99 34.167 -9.467 -0.730 1.00 13.41 O ATOM 0 H ASP A 99 31.022 -5.387 -2.134 1.00 14.43 H new ATOM 0 HA ASP A 99 32.797 -6.636 -0.357 1.00 4.35 H new ATOM 0 HB2 ASP A 99 31.522 -8.463 -2.172 1.00 32.54 H new ATOM 0 HB3 ASP A 99 33.183 -8.265 -2.696 1.00 32.54 H new ATOM 1573 N ILE A 100 34.683 -6.346 -2.351 1.00 41.41 N ATOM 1574 CA ILE A 100 35.699 -5.652 -3.133 1.00 71.45 C ATOM 1575 C ILE A 100 36.265 -6.556 -4.223 1.00 64.41 C ATOM 1576 O ILE A 100 36.216 -7.781 -4.115 1.00 43.23 O ATOM 1577 CB ILE A 100 36.853 -5.155 -2.243 1.00 61.22 C ATOM 1578 CG1 ILE A 100 36.303 -4.517 -0.966 1.00 53.43 C ATOM 1579 CG2 ILE A 100 37.721 -4.165 -3.005 1.00 62.13 C ATOM 1580 CD1 ILE A 100 35.405 -3.327 -1.224 1.00 41.33 C ATOM 0 H ILE A 100 35.007 -7.204 -1.904 1.00 41.41 H new ATOM 0 HA ILE A 100 35.211 -4.793 -3.593 1.00 71.45 H new ATOM 0 HB ILE A 100 37.470 -6.009 -1.963 1.00 61.22 H new ATOM 0 HG12 ILE A 100 35.746 -5.268 -0.405 1.00 53.43 H new ATOM 0 HG13 ILE A 100 37.137 -4.203 -0.338 1.00 53.43 H new ATOM 0 HG21 ILE A 100 38.532 -3.823 -2.363 1.00 62.13 H new ATOM 0 HG22 ILE A 100 38.137 -4.650 -3.888 1.00 62.13 H new ATOM 0 HG23 ILE A 100 37.116 -3.312 -3.311 1.00 62.13 H new ATOM 0 HD11 ILE A 100 35.052 -2.925 -0.274 1.00 41.33 H new ATOM 0 HD12 ILE A 100 35.964 -2.558 -1.758 1.00 41.33 H new ATOM 0 HD13 ILE A 100 34.552 -3.639 -1.826 1.00 41.33 H new