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 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=-0.42) USER MOD Single : A 7 TYR OH : rot 60:sc= -2.22 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= -0.0638 X(o=-0.064,f=-0.31) USER MOD Single : A 17 THR OG1 : rot 64:sc= 1.26 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00684 USER MOD Single : A 42 SER OG : rot 126:sc= -0.223 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.325 X(o=-0.33,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.067 X(o=-0.067,f=-0.11) USER MOD Single : A 55 ASN : amide:sc= -0.0475 K(o=-0.048,f=-1.4) USER MOD Single : A 61 ASN : amide:sc= 0.0293 X(o=0.029,f=-0.11) USER MOD Single : A 62 SER OG : rot 72:sc= 1.26 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0928 USER MOD Single : A 77 SER OG : rot -24:sc= 0.772 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc=-0.00871 X(o=-0.0087,f=-0.19) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 22 N SER A 3 6.209 -1.879 -2.186 1.00 0.34 N ATOM 23 CA SER A 3 6.452 -2.584 -3.439 1.00 5.15 C ATOM 24 C SER A 3 7.947 -2.659 -3.738 1.00 54.02 C ATOM 25 O SER A 3 8.492 -3.740 -3.956 1.00 65.20 O ATOM 26 CB SER A 3 5.724 -1.888 -4.590 1.00 2.21 C ATOM 27 OG SER A 3 5.384 -2.811 -5.610 1.00 41.42 O ATOM 0 HA SER A 3 6.068 -3.599 -3.337 1.00 5.15 H new ATOM 0 HB2 SER A 3 4.821 -1.406 -4.215 1.00 2.21 H new ATOM 0 HB3 SER A 3 6.357 -1.102 -5.002 1.00 2.21 H new ATOM 0 HG SER A 3 4.918 -2.342 -6.334 1.00 41.42 H new ATOM 33 N GLN A 4 8.601 -1.502 -3.747 1.00 73.01 N ATOM 34 CA GLN A 4 10.031 -1.436 -4.021 1.00 24.13 C ATOM 35 C GLN A 4 10.840 -1.708 -2.757 1.00 4.44 C ATOM 36 O GLN A 4 10.960 -0.844 -1.888 1.00 4.55 O ATOM 37 CB GLN A 4 10.400 -0.066 -4.592 1.00 2.10 C ATOM 38 CG GLN A 4 9.727 0.241 -5.920 1.00 31.20 C ATOM 39 CD GLN A 4 10.703 0.738 -6.968 1.00 70.31 C ATOM 40 OE1 GLN A 4 11.265 1.826 -6.843 1.00 51.24 O ATOM 41 NE2 GLN A 4 10.910 -0.060 -8.010 1.00 3.44 N ATOM 0 H GLN A 4 8.163 -0.598 -3.568 1.00 73.01 H new ATOM 0 HA GLN A 4 10.270 -2.204 -4.756 1.00 24.13 H new ATOM 0 HB2 GLN A 4 10.129 0.704 -3.870 1.00 2.10 H new ATOM 0 HB3 GLN A 4 11.481 -0.015 -4.722 1.00 2.10 H new ATOM 0 HG2 GLN A 4 9.231 -0.657 -6.288 1.00 31.20 H new ATOM 0 HG3 GLN A 4 8.952 0.992 -5.765 1.00 31.20 H new ATOM 0 HE21 GLN A 4 10.422 -0.954 -8.073 1.00 3.44 H new ATOM 0 HE22 GLN A 4 11.557 0.221 -8.747 1.00 3.44 H new ATOM 50 N ILE A 5 11.393 -2.912 -2.661 1.00 72.20 N ATOM 51 CA ILE A 5 12.191 -3.296 -1.503 1.00 73.54 C ATOM 52 C ILE A 5 13.519 -3.911 -1.931 1.00 4.31 C ATOM 53 O ILE A 5 13.589 -4.640 -2.921 1.00 13.11 O ATOM 54 CB ILE A 5 11.439 -4.300 -0.609 1.00 15.40 C ATOM 55 CG1 ILE A 5 9.976 -3.878 -0.451 1.00 60.51 C ATOM 56 CG2 ILE A 5 12.114 -4.408 0.750 1.00 11.50 C ATOM 57 CD1 ILE A 5 9.805 -2.514 0.178 1.00 12.42 C ATOM 0 H ILE A 5 11.303 -3.639 -3.371 1.00 72.20 H new ATOM 0 HA ILE A 5 12.380 -2.386 -0.934 1.00 73.54 H new ATOM 0 HB ILE A 5 11.466 -5.280 -1.085 1.00 15.40 H new ATOM 0 HG12 ILE A 5 9.498 -3.880 -1.431 1.00 60.51 H new ATOM 0 HG13 ILE A 5 9.457 -4.618 0.158 1.00 60.51 H new ATOM 0 HG21 ILE A 5 11.571 -5.121 1.370 1.00 11.50 H new ATOM 0 HG22 ILE A 5 13.141 -4.749 0.620 1.00 11.50 H new ATOM 0 HG23 ILE A 5 12.114 -3.432 1.235 1.00 11.50 H new ATOM 0 HD11 ILE A 5 8.743 -2.281 0.259 1.00 12.42 H new ATOM 0 HD12 ILE A 5 10.253 -2.513 1.172 1.00 12.42 H new ATOM 0 HD13 ILE A 5 10.295 -1.763 -0.442 1.00 12.42 H new ATOM 69 N HIS A 6 14.573 -3.612 -1.177 1.00 72.51 N ATOM 70 CA HIS A 6 15.900 -4.137 -1.476 1.00 64.45 C ATOM 71 C HIS A 6 16.622 -4.552 -0.198 1.00 11.24 C ATOM 72 O HIS A 6 16.386 -3.987 0.871 1.00 74.41 O ATOM 73 CB HIS A 6 16.727 -3.093 -2.227 1.00 25.20 C ATOM 74 CG HIS A 6 16.835 -1.784 -1.508 1.00 13.05 C ATOM 75 ND1 HIS A 6 17.715 -1.566 -0.469 1.00 43.21 N ATOM 76 CD2 HIS A 6 16.167 -0.620 -1.683 1.00 53.12 C ATOM 77 CE1 HIS A 6 17.583 -0.325 -0.036 1.00 1.20 C ATOM 78 NE2 HIS A 6 16.650 0.271 -0.757 1.00 30.25 N ATOM 0 H HIS A 6 14.533 -3.009 -0.355 1.00 72.51 H new ATOM 0 HA HIS A 6 15.781 -5.018 -2.107 1.00 64.45 H new ATOM 0 HB2 HIS A 6 17.728 -3.488 -2.397 1.00 25.20 H new ATOM 0 HB3 HIS A 6 16.280 -2.924 -3.207 1.00 25.20 H new ATOM 0 HD2 HIS A 6 15.397 -0.428 -2.415 1.00 53.12 H new ATOM 0 HE1 HIS A 6 18.143 0.126 0.770 1.00 1.20 H new ATOM 0 HE2 HIS A 6 16.339 1.236 -0.644 1.00 30.25 H new ATOM 86 N TYR A 7 17.501 -5.541 -0.314 1.00 50.31 N ATOM 87 CA TYR A 7 18.254 -6.033 0.833 1.00 3.11 C ATOM 88 C TYR A 7 19.756 -5.946 0.577 1.00 72.11 C ATOM 89 O TYR A 7 20.192 -5.720 -0.552 1.00 22.52 O ATOM 90 CB TYR A 7 17.862 -7.478 1.146 1.00 53.22 C ATOM 91 CG TYR A 7 16.373 -7.732 1.066 1.00 3.54 C ATOM 92 CD1 TYR A 7 15.463 -6.809 1.567 1.00 4.30 C ATOM 93 CD2 TYR A 7 15.877 -8.894 0.490 1.00 71.25 C ATOM 94 CE1 TYR A 7 14.103 -7.037 1.497 1.00 12.02 C ATOM 95 CE2 TYR A 7 14.518 -9.130 0.414 1.00 32.20 C ATOM 96 CZ TYR A 7 13.635 -8.199 0.920 1.00 51.13 C ATOM 97 OH TYR A 7 12.280 -8.429 0.847 1.00 62.31 O ATOM 0 H TYR A 7 17.710 -6.018 -1.191 1.00 50.31 H new ATOM 0 HA TYR A 7 18.013 -5.404 1.690 1.00 3.11 H new ATOM 0 HB2 TYR A 7 18.374 -8.143 0.450 1.00 53.22 H new ATOM 0 HB3 TYR A 7 18.212 -7.732 2.146 1.00 53.22 H new ATOM 0 HD1 TYR A 7 15.826 -5.898 2.019 1.00 4.30 H new ATOM 0 HD2 TYR A 7 16.566 -9.626 0.095 1.00 71.25 H new ATOM 0 HE1 TYR A 7 13.409 -6.309 1.892 1.00 12.02 H new ATOM 0 HE2 TYR A 7 14.149 -10.038 -0.039 1.00 32.20 H new ATOM 0 HH TYR A 7 11.855 -7.716 0.327 1.00 62.31 H new ATOM 107 N SER A 8 20.541 -6.128 1.634 1.00 43.44 N ATOM 108 CA SER A 8 21.994 -6.067 1.526 1.00 42.05 C ATOM 109 C SER A 8 22.629 -7.372 1.995 1.00 31.44 C ATOM 110 O SER A 8 22.364 -7.840 3.103 1.00 22.22 O ATOM 111 CB SER A 8 22.539 -4.897 2.347 1.00 65.02 C ATOM 112 OG SER A 8 21.820 -3.706 2.078 1.00 63.04 O ATOM 0 H SER A 8 20.195 -6.319 2.575 1.00 43.44 H new ATOM 0 HA SER A 8 22.250 -5.916 0.477 1.00 42.05 H new ATOM 0 HB2 SER A 8 22.474 -5.133 3.409 1.00 65.02 H new ATOM 0 HB3 SER A 8 23.594 -4.748 2.118 1.00 65.02 H new ATOM 0 HG SER A 8 22.187 -2.974 2.616 1.00 63.04 H new ATOM 118 N ILE A 9 23.467 -7.955 1.145 1.00 43.21 N ATOM 119 CA ILE A 9 24.141 -9.205 1.473 1.00 71.23 C ATOM 120 C ILE A 9 25.532 -9.260 0.850 1.00 73.13 C ATOM 121 O ILE A 9 25.692 -9.276 -0.371 1.00 1.21 O ATOM 122 CB ILE A 9 23.329 -10.424 0.996 1.00 13.11 C ATOM 123 CG1 ILE A 9 24.160 -11.702 1.129 1.00 13.34 C ATOM 124 CG2 ILE A 9 22.875 -10.228 -0.443 1.00 21.22 C ATOM 125 CD1 ILE A 9 24.566 -12.013 2.553 1.00 41.41 C ATOM 0 H ILE A 9 23.696 -7.582 0.224 1.00 43.21 H new ATOM 0 HA ILE A 9 24.230 -9.240 2.559 1.00 71.23 H new ATOM 0 HB ILE A 9 22.444 -10.521 1.625 1.00 13.11 H new ATOM 0 HG12 ILE A 9 23.588 -12.541 0.731 1.00 13.34 H new ATOM 0 HG13 ILE A 9 25.057 -11.608 0.516 1.00 13.34 H new ATOM 0 HG21 ILE A 9 22.303 -11.098 -0.766 1.00 21.22 H new ATOM 0 HG22 ILE A 9 22.250 -9.337 -0.509 1.00 21.22 H new ATOM 0 HG23 ILE A 9 23.747 -10.108 -1.086 1.00 21.22 H new ATOM 0 HD11 ILE A 9 25.152 -12.932 2.572 1.00 41.41 H new ATOM 0 HD12 ILE A 9 25.165 -11.192 2.948 1.00 41.41 H new ATOM 0 HD13 ILE A 9 23.674 -12.139 3.166 1.00 41.41 H new ATOM 137 N PRO A 10 26.563 -9.292 1.707 1.00 40.13 N ATOM 138 CA PRO A 10 27.959 -9.348 1.263 1.00 22.33 C ATOM 139 C PRO A 10 28.314 -10.691 0.634 1.00 73.21 C ATOM 140 O PRO A 10 27.843 -11.738 1.077 1.00 15.23 O ATOM 141 CB PRO A 10 28.751 -9.138 2.557 1.00 73.25 C ATOM 142 CG PRO A 10 27.838 -9.602 3.639 1.00 41.01 C ATOM 143 CD PRO A 10 26.446 -9.276 3.174 1.00 14.14 C ATOM 0 HA PRO A 10 28.171 -8.608 0.492 1.00 22.33 H new ATOM 0 HB2 PRO A 10 29.679 -9.709 2.550 1.00 73.25 H new ATOM 0 HB3 PRO A 10 29.022 -8.091 2.690 1.00 73.25 H new ATOM 0 HG2 PRO A 10 27.951 -10.672 3.813 1.00 41.01 H new ATOM 0 HG3 PRO A 10 28.062 -9.101 4.581 1.00 41.01 H new ATOM 0 HD2 PRO A 10 25.722 -10.010 3.527 1.00 14.14 H new ATOM 0 HD3 PRO A 10 26.118 -8.303 3.540 1.00 14.14 H new ATOM 151 N GLU A 11 29.147 -10.653 -0.401 1.00 41.01 N ATOM 152 CA GLU A 11 29.564 -11.868 -1.091 1.00 32.33 C ATOM 153 C GLU A 11 30.010 -12.934 -0.094 1.00 2.23 C ATOM 154 O GLU A 11 30.249 -12.641 1.077 1.00 1.22 O ATOM 155 CB GLU A 11 30.700 -11.562 -2.069 1.00 74.13 C ATOM 156 CG GLU A 11 30.304 -10.603 -3.180 1.00 24.23 C ATOM 157 CD GLU A 11 29.898 -11.320 -4.452 1.00 71.35 C ATOM 158 OE1 GLU A 11 30.492 -12.376 -4.755 1.00 34.44 O ATOM 159 OE2 GLU A 11 28.985 -10.825 -5.146 1.00 43.33 O ATOM 0 H GLU A 11 29.546 -9.794 -0.780 1.00 41.01 H new ATOM 0 HA GLU A 11 28.708 -12.251 -1.648 1.00 32.33 H new ATOM 0 HB2 GLU A 11 31.539 -11.139 -1.517 1.00 74.13 H new ATOM 0 HB3 GLU A 11 31.048 -12.495 -2.512 1.00 74.13 H new ATOM 0 HG2 GLU A 11 29.477 -9.980 -2.839 1.00 24.23 H new ATOM 0 HG3 GLU A 11 31.139 -9.936 -3.394 1.00 24.23 H new ATOM 166 N GLU A 12 30.119 -14.171 -0.568 1.00 4.01 N ATOM 167 CA GLU A 12 30.536 -15.280 0.282 1.00 35.23 C ATOM 168 C GLU A 12 29.481 -15.577 1.344 1.00 32.04 C ATOM 169 O GLU A 12 29.807 -15.937 2.475 1.00 3.51 O ATOM 170 CB GLU A 12 31.875 -14.964 0.952 1.00 74.21 C ATOM 171 CG GLU A 12 32.856 -16.124 0.927 1.00 0.23 C ATOM 172 CD GLU A 12 33.739 -16.167 2.160 1.00 75.53 C ATOM 173 OE1 GLU A 12 33.273 -16.669 3.204 1.00 30.05 O ATOM 174 OE2 GLU A 12 34.894 -15.700 2.080 1.00 73.33 O ATOM 0 H GLU A 12 29.925 -14.430 -1.535 1.00 4.01 H new ATOM 0 HA GLU A 12 30.653 -16.162 -0.347 1.00 35.23 H new ATOM 0 HB2 GLU A 12 32.327 -14.106 0.455 1.00 74.21 H new ATOM 0 HB3 GLU A 12 31.694 -14.674 1.987 1.00 74.21 H new ATOM 0 HG2 GLU A 12 32.304 -17.060 0.847 1.00 0.23 H new ATOM 0 HG3 GLU A 12 33.482 -16.046 0.038 1.00 0.23 H new ATOM 181 N ALA A 13 28.214 -15.423 0.972 1.00 65.04 N ATOM 182 CA ALA A 13 27.112 -15.676 1.890 1.00 15.44 C ATOM 183 C ALA A 13 26.587 -17.100 1.741 1.00 44.33 C ATOM 184 O ALA A 13 25.810 -17.394 0.833 1.00 74.12 O ATOM 185 CB ALA A 13 25.992 -14.672 1.659 1.00 14.12 C ATOM 0 H ALA A 13 27.926 -15.124 0.040 1.00 65.04 H new ATOM 0 HA ALA A 13 27.486 -15.560 2.907 1.00 15.44 H new ATOM 0 HB1 ALA A 13 25.175 -14.873 2.352 1.00 14.12 H new ATOM 0 HB2 ALA A 13 26.368 -13.663 1.825 1.00 14.12 H new ATOM 0 HB3 ALA A 13 25.629 -14.761 0.635 1.00 14.12 H new ATOM 191 N LYS A 14 27.019 -17.981 2.637 1.00 75.14 N ATOM 192 CA LYS A 14 26.593 -19.375 2.605 1.00 32.33 C ATOM 193 C LYS A 14 25.084 -19.488 2.800 1.00 22.02 C ATOM 194 O LYS A 14 24.449 -18.585 3.346 1.00 24.03 O ATOM 195 CB LYS A 14 27.319 -20.176 3.689 1.00 71.14 C ATOM 196 CG LYS A 14 28.803 -20.355 3.421 1.00 61.34 C ATOM 197 CD LYS A 14 29.162 -21.819 3.229 1.00 24.32 C ATOM 198 CE LYS A 14 30.503 -21.977 2.528 1.00 21.14 C ATOM 199 NZ LYS A 14 30.871 -23.409 2.350 1.00 34.22 N ATOM 0 H LYS A 14 27.664 -17.754 3.394 1.00 75.14 H new ATOM 0 HA LYS A 14 26.847 -19.784 1.627 1.00 32.33 H new ATOM 0 HB2 LYS A 14 27.189 -19.674 4.648 1.00 71.14 H new ATOM 0 HB3 LYS A 14 26.853 -21.157 3.777 1.00 71.14 H new ATOM 0 HG2 LYS A 14 29.084 -19.791 2.532 1.00 61.34 H new ATOM 0 HG3 LYS A 14 29.376 -19.945 4.253 1.00 61.34 H new ATOM 0 HD2 LYS A 14 29.196 -22.316 4.198 1.00 24.32 H new ATOM 0 HD3 LYS A 14 28.385 -22.312 2.645 1.00 24.32 H new ATOM 0 HE2 LYS A 14 30.463 -21.489 1.554 1.00 21.14 H new ATOM 0 HE3 LYS A 14 31.277 -21.472 3.107 1.00 21.14 H new ATOM 0 HZ1 LYS A 14 31.791 -23.474 1.869 1.00 34.22 H new ATOM 0 HZ2 LYS A 14 30.934 -23.870 3.280 1.00 34.22 H new ATOM 0 HZ3 LYS A 14 30.146 -23.885 1.776 1.00 34.22 H new ATOM 213 N HIS A 15 24.516 -20.603 2.352 1.00 53.35 N ATOM 214 CA HIS A 15 23.081 -20.834 2.479 1.00 62.02 C ATOM 215 C HIS A 15 22.622 -20.619 3.918 1.00 72.03 C ATOM 216 O HIS A 15 23.079 -21.301 4.834 1.00 13.12 O ATOM 217 CB HIS A 15 22.729 -22.251 2.025 1.00 25.22 C ATOM 218 CG HIS A 15 23.215 -22.576 0.646 1.00 31.52 C ATOM 219 ND1 HIS A 15 24.378 -23.276 0.403 1.00 31.53 N ATOM 220 CD2 HIS A 15 22.687 -22.295 -0.568 1.00 14.22 C ATOM 221 CE1 HIS A 15 24.545 -23.410 -0.900 1.00 52.24 C ATOM 222 NE2 HIS A 15 23.532 -22.823 -1.512 1.00 72.23 N ATOM 0 H HIS A 15 25.027 -21.360 1.898 1.00 53.35 H new ATOM 0 HA HIS A 15 22.564 -20.117 1.840 1.00 62.02 H new ATOM 0 HB2 HIS A 15 23.155 -22.966 2.729 1.00 25.22 H new ATOM 0 HB3 HIS A 15 21.647 -22.376 2.059 1.00 25.22 H new ATOM 0 HD2 HIS A 15 21.771 -21.756 -0.759 1.00 14.22 H new ATOM 0 HE1 HIS A 15 25.369 -23.914 -1.383 1.00 52.24 H new ATOM 0 HE2 HIS A 15 23.399 -22.771 -2.522 1.00 72.23 H new ATOM 230 N GLY A 16 21.715 -19.665 4.108 1.00 20.34 N ATOM 231 CA GLY A 16 21.210 -19.377 5.438 1.00 71.10 C ATOM 232 C GLY A 16 21.758 -18.080 5.998 1.00 43.41 C ATOM 233 O GLY A 16 21.552 -17.763 7.170 1.00 73.20 O ATOM 0 H GLY A 16 21.321 -19.087 3.365 1.00 20.34 H new ATOM 0 HA2 GLY A 16 20.122 -19.324 5.406 1.00 71.10 H new ATOM 0 HA3 GLY A 16 21.470 -20.197 6.107 1.00 71.10 H new ATOM 237 N THR A 17 22.462 -17.325 5.159 1.00 33.20 N ATOM 238 CA THR A 17 23.044 -16.056 5.577 1.00 21.41 C ATOM 239 C THR A 17 22.003 -14.943 5.565 1.00 32.14 C ATOM 240 O THR A 17 21.129 -14.905 4.698 1.00 25.44 O ATOM 241 CB THR A 17 24.221 -15.652 4.670 1.00 63.34 C ATOM 242 OG1 THR A 17 25.284 -16.604 4.792 1.00 32.45 O ATOM 243 CG2 THR A 17 24.732 -14.266 5.031 1.00 52.43 C ATOM 0 H THR A 17 22.642 -17.571 4.186 1.00 33.20 H new ATOM 0 HA THR A 17 23.410 -16.196 6.594 1.00 21.41 H new ATOM 0 HB THR A 17 23.866 -15.634 3.640 1.00 63.34 H new ATOM 0 HG1 THR A 17 24.979 -17.478 4.470 1.00 32.45 H new ATOM 0 HG21 THR A 17 25.563 -14.003 4.377 1.00 52.43 H new ATOM 0 HG22 THR A 17 23.929 -13.539 4.908 1.00 52.43 H new ATOM 0 HG23 THR A 17 25.070 -14.261 6.067 1.00 52.43 H new ATOM 251 N PHE A 18 22.101 -14.037 6.533 1.00 62.14 N ATOM 252 CA PHE A 18 21.167 -12.922 6.633 1.00 11.14 C ATOM 253 C PHE A 18 21.272 -12.012 5.413 1.00 61.21 C ATOM 254 O PHE A 18 22.367 -11.734 4.924 1.00 3.15 O ATOM 255 CB PHE A 18 21.435 -12.118 7.907 1.00 31.04 C ATOM 256 CG PHE A 18 20.753 -10.780 7.926 1.00 11.14 C ATOM 257 CD1 PHE A 18 19.384 -10.683 7.738 1.00 15.23 C ATOM 258 CD2 PHE A 18 21.481 -9.619 8.133 1.00 71.31 C ATOM 259 CE1 PHE A 18 18.754 -9.453 7.755 1.00 52.35 C ATOM 260 CE2 PHE A 18 20.856 -8.386 8.151 1.00 65.34 C ATOM 261 CZ PHE A 18 19.491 -8.303 7.962 1.00 31.22 C ATOM 0 H PHE A 18 22.818 -14.054 7.259 1.00 62.14 H new ATOM 0 HA PHE A 18 20.157 -13.330 6.674 1.00 11.14 H new ATOM 0 HB2 PHE A 18 21.105 -12.698 8.769 1.00 31.04 H new ATOM 0 HB3 PHE A 18 22.510 -11.971 8.015 1.00 31.04 H new ATOM 0 HD1 PHE A 18 18.802 -11.579 7.576 1.00 15.23 H new ATOM 0 HD2 PHE A 18 22.549 -9.678 8.282 1.00 71.31 H new ATOM 0 HE1 PHE A 18 17.686 -9.391 7.607 1.00 52.35 H new ATOM 0 HE2 PHE A 18 21.435 -7.489 8.313 1.00 65.34 H new ATOM 0 HZ PHE A 18 19.000 -7.341 7.976 1.00 31.22 H new ATOM 271 N VAL A 19 20.125 -11.552 4.924 1.00 34.15 N ATOM 272 CA VAL A 19 20.086 -10.674 3.762 1.00 42.55 C ATOM 273 C VAL A 19 19.303 -9.400 4.061 1.00 62.15 C ATOM 274 O VAL A 19 19.738 -8.299 3.727 1.00 3.44 O ATOM 275 CB VAL A 19 19.454 -11.378 2.546 1.00 24.24 C ATOM 276 CG1 VAL A 19 19.600 -10.522 1.297 1.00 32.24 C ATOM 277 CG2 VAL A 19 20.082 -12.748 2.340 1.00 61.33 C ATOM 0 H VAL A 19 19.210 -11.773 5.316 1.00 34.15 H new ATOM 0 HA VAL A 19 21.119 -10.416 3.527 1.00 42.55 H new ATOM 0 HB VAL A 19 18.390 -11.516 2.740 1.00 24.24 H new ATOM 0 HG11 VAL A 19 19.148 -11.036 0.449 1.00 32.24 H new ATOM 0 HG12 VAL A 19 19.100 -9.566 1.451 1.00 32.24 H new ATOM 0 HG13 VAL A 19 20.657 -10.350 1.095 1.00 32.24 H new ATOM 0 HG21 VAL A 19 19.624 -13.232 1.477 1.00 61.33 H new ATOM 0 HG22 VAL A 19 21.152 -12.635 2.168 1.00 61.33 H new ATOM 0 HG23 VAL A 19 19.920 -13.360 3.227 1.00 61.33 H new ATOM 287 N GLY A 20 18.144 -9.559 4.692 1.00 0.14 N ATOM 288 CA GLY A 20 17.318 -8.413 5.027 1.00 62.35 C ATOM 289 C GLY A 20 15.981 -8.815 5.617 1.00 2.11 C ATOM 290 O GLY A 20 15.642 -9.998 5.654 1.00 15.31 O ATOM 0 H GLY A 20 17.762 -10.461 4.977 1.00 0.14 H new ATOM 0 HA2 GLY A 20 17.850 -7.781 5.738 1.00 62.35 H new ATOM 0 HA3 GLY A 20 17.151 -7.815 4.131 1.00 62.35 H new ATOM 294 N ARG A 21 15.221 -7.829 6.082 1.00 41.32 N ATOM 295 CA ARG A 21 13.915 -8.086 6.676 1.00 0.13 C ATOM 296 C ARG A 21 12.803 -7.896 5.649 1.00 61.23 C ATOM 297 O ARG A 21 12.122 -6.871 5.639 1.00 13.53 O ATOM 298 CB ARG A 21 13.683 -7.159 7.871 1.00 24.11 C ATOM 299 CG ARG A 21 14.843 -7.129 8.853 1.00 64.53 C ATOM 300 CD ARG A 21 15.690 -5.879 8.677 1.00 42.32 C ATOM 301 NE ARG A 21 15.299 -4.818 9.601 1.00 34.13 N ATOM 302 CZ ARG A 21 15.928 -3.652 9.691 1.00 50.32 C ATOM 303 NH1 ARG A 21 16.973 -3.397 8.916 1.00 61.45 N ATOM 304 NH2 ARG A 21 15.512 -2.737 10.557 1.00 52.41 N ATOM 0 H ARG A 21 15.487 -6.845 6.059 1.00 41.32 H new ATOM 0 HA ARG A 21 13.897 -9.121 7.018 1.00 0.13 H new ATOM 0 HB2 ARG A 21 13.501 -6.148 7.506 1.00 24.11 H new ATOM 0 HB3 ARG A 21 12.782 -7.476 8.396 1.00 24.11 H new ATOM 0 HG2 ARG A 21 14.459 -7.169 9.872 1.00 64.53 H new ATOM 0 HG3 ARG A 21 15.464 -8.013 8.711 1.00 64.53 H new ATOM 0 HD2 ARG A 21 16.740 -6.127 8.834 1.00 42.32 H new ATOM 0 HD3 ARG A 21 15.597 -5.520 7.652 1.00 42.32 H new ATOM 0 HE ARG A 21 14.498 -4.982 10.211 1.00 34.13 H new ATOM 0 HH11 ARG A 21 17.296 -4.097 8.248 1.00 61.45 H new ATOM 0 HH12 ARG A 21 17.454 -2.500 8.987 1.00 61.45 H new ATOM 0 HH21 ARG A 21 14.708 -2.929 11.155 1.00 52.41 H new ATOM 0 HH22 ARG A 21 15.996 -1.842 10.625 1.00 52.41 H new ATOM 318 N ILE A 22 12.626 -8.891 4.786 1.00 43.25 N ATOM 319 CA ILE A 22 11.597 -8.833 3.755 1.00 62.31 C ATOM 320 C ILE A 22 10.241 -8.473 4.352 1.00 71.42 C ATOM 321 O ILE A 22 9.520 -7.631 3.818 1.00 61.03 O ATOM 322 CB ILE A 22 11.476 -10.173 3.005 1.00 42.12 C ATOM 323 CG1 ILE A 22 10.277 -10.144 2.055 1.00 31.11 C ATOM 324 CG2 ILE A 22 11.349 -11.323 3.992 1.00 23.33 C ATOM 325 CD1 ILE A 22 10.320 -11.222 0.995 1.00 72.03 C ATOM 0 H ILE A 22 13.182 -9.746 4.780 1.00 43.25 H new ATOM 0 HA ILE A 22 11.899 -8.058 3.051 1.00 62.31 H new ATOM 0 HB ILE A 22 12.380 -10.325 2.415 1.00 42.12 H new ATOM 0 HG12 ILE A 22 9.361 -10.253 2.636 1.00 31.11 H new ATOM 0 HG13 ILE A 22 10.232 -9.169 1.569 1.00 31.11 H new ATOM 0 HG21 ILE A 22 11.264 -12.263 3.447 1.00 23.33 H new ATOM 0 HG22 ILE A 22 12.231 -11.353 4.632 1.00 23.33 H new ATOM 0 HG23 ILE A 22 10.460 -11.179 4.606 1.00 23.33 H new ATOM 0 HD11 ILE A 22 9.439 -11.141 0.358 1.00 72.03 H new ATOM 0 HD12 ILE A 22 11.218 -11.101 0.390 1.00 72.03 H new ATOM 0 HD13 ILE A 22 10.333 -12.202 1.473 1.00 72.03 H new ATOM 337 N ALA A 23 9.900 -9.117 5.464 1.00 45.42 N ATOM 338 CA ALA A 23 8.633 -8.862 6.136 1.00 14.31 C ATOM 339 C ALA A 23 8.595 -7.455 6.723 1.00 45.42 C ATOM 340 O ALA A 23 7.655 -6.698 6.483 1.00 45.53 O ATOM 341 CB ALA A 23 8.396 -9.896 7.226 1.00 33.51 C ATOM 0 H ALA A 23 10.484 -9.819 5.918 1.00 45.42 H new ATOM 0 HA ALA A 23 7.837 -8.940 5.396 1.00 14.31 H new ATOM 0 HB1 ALA A 23 7.446 -9.693 7.720 1.00 33.51 H new ATOM 0 HB2 ALA A 23 8.370 -10.892 6.783 1.00 33.51 H new ATOM 0 HB3 ALA A 23 9.203 -9.845 7.957 1.00 33.51 H new ATOM 347 N GLN A 24 9.623 -7.112 7.493 1.00 63.22 N ATOM 348 CA GLN A 24 9.706 -5.796 8.115 1.00 42.15 C ATOM 349 C GLN A 24 9.577 -4.692 7.071 1.00 55.44 C ATOM 350 O GLN A 24 8.915 -3.680 7.302 1.00 13.31 O ATOM 351 CB GLN A 24 11.028 -5.648 8.870 1.00 43.45 C ATOM 352 CG GLN A 24 10.992 -4.585 9.956 1.00 23.34 C ATOM 353 CD GLN A 24 11.388 -5.128 11.316 1.00 53.53 C ATOM 354 OE1 GLN A 24 12.569 -5.172 11.659 1.00 24.52 O ATOM 355 NE2 GLN A 24 10.399 -5.543 12.098 1.00 14.02 N ATOM 0 H GLN A 24 10.410 -7.727 7.701 1.00 63.22 H new ATOM 0 HA GLN A 24 8.880 -5.702 8.821 1.00 42.15 H new ATOM 0 HB2 GLN A 24 11.290 -6.606 9.319 1.00 43.45 H new ATOM 0 HB3 GLN A 24 11.817 -5.403 8.159 1.00 43.45 H new ATOM 0 HG2 GLN A 24 11.663 -3.770 9.684 1.00 23.34 H new ATOM 0 HG3 GLN A 24 9.988 -4.165 10.015 1.00 23.34 H new ATOM 0 HE21 GLN A 24 9.434 -5.488 11.772 1.00 14.02 H new ATOM 0 HE22 GLN A 24 10.604 -5.917 13.025 1.00 14.02 H new ATOM 364 N ASP A 25 10.213 -4.893 5.922 1.00 54.12 N ATOM 365 CA ASP A 25 10.168 -3.914 4.841 1.00 32.35 C ATOM 366 C ASP A 25 8.819 -3.952 4.130 1.00 50.21 C ATOM 367 O ASP A 25 8.350 -2.938 3.611 1.00 3.32 O ATOM 368 CB ASP A 25 11.294 -4.176 3.840 1.00 21.44 C ATOM 369 CG ASP A 25 12.643 -4.334 4.514 1.00 32.15 C ATOM 370 OD1 ASP A 25 12.777 -3.907 5.680 1.00 35.22 O ATOM 371 OD2 ASP A 25 13.565 -4.884 3.876 1.00 40.41 O ATOM 0 H ASP A 25 10.766 -5.725 5.715 1.00 54.12 H new ATOM 0 HA ASP A 25 10.302 -2.923 5.275 1.00 32.35 H new ATOM 0 HB2 ASP A 25 11.068 -5.078 3.271 1.00 21.44 H new ATOM 0 HB3 ASP A 25 11.341 -3.353 3.127 1.00 21.44 H new ATOM 376 N LEU A 26 8.200 -5.127 4.108 1.00 10.01 N ATOM 377 CA LEU A 26 6.905 -5.297 3.459 1.00 33.50 C ATOM 378 C LEU A 26 5.794 -4.652 4.281 1.00 2.35 C ATOM 379 O LEU A 26 4.878 -4.039 3.734 1.00 25.02 O ATOM 380 CB LEU A 26 6.606 -6.784 3.256 1.00 52.24 C ATOM 381 CG LEU A 26 6.814 -7.323 1.840 1.00 44.20 C ATOM 382 CD1 LEU A 26 8.208 -6.979 1.338 1.00 41.22 C ATOM 383 CD2 LEU A 26 6.589 -8.827 1.804 1.00 73.35 C ATOM 0 H LEU A 26 8.574 -5.976 4.532 1.00 10.01 H new ATOM 0 HA LEU A 26 6.946 -4.804 2.488 1.00 33.50 H new ATOM 0 HB2 LEU A 26 7.235 -7.357 3.937 1.00 52.24 H new ATOM 0 HB3 LEU A 26 5.572 -6.969 3.545 1.00 52.24 H new ATOM 0 HG LEU A 26 6.085 -6.851 1.181 1.00 44.20 H new ATOM 0 HD11 LEU A 26 8.338 -7.370 0.329 1.00 41.22 H new ATOM 0 HD12 LEU A 26 8.334 -5.896 1.326 1.00 41.22 H new ATOM 0 HD13 LEU A 26 8.953 -7.423 1.998 1.00 41.22 H new ATOM 0 HD21 LEU A 26 6.741 -9.193 0.789 1.00 73.35 H new ATOM 0 HD22 LEU A 26 7.294 -9.317 2.476 1.00 73.35 H new ATOM 0 HD23 LEU A 26 5.570 -9.050 2.121 1.00 73.35 H new ATOM 395 N GLY A 27 5.884 -4.792 5.601 1.00 52.32 N ATOM 396 CA GLY A 27 4.882 -4.215 6.478 1.00 53.23 C ATOM 397 C GLY A 27 3.731 -5.164 6.747 1.00 71.14 C ATOM 398 O GLY A 27 2.565 -4.773 6.678 1.00 32.32 O ATOM 0 H GLY A 27 6.633 -5.295 6.078 1.00 52.32 H new ATOM 0 HA2 GLY A 27 5.348 -3.937 7.423 1.00 53.23 H new ATOM 0 HA3 GLY A 27 4.496 -3.299 6.031 1.00 53.23 H new ATOM 402 N LEU A 28 4.057 -6.415 7.052 1.00 62.11 N ATOM 403 CA LEU A 28 3.041 -7.424 7.331 1.00 64.44 C ATOM 404 C LEU A 28 3.341 -8.153 8.637 1.00 43.41 C ATOM 405 O LEU A 28 4.366 -7.909 9.273 1.00 42.14 O ATOM 406 CB LEU A 28 2.963 -8.429 6.180 1.00 64.13 C ATOM 407 CG LEU A 28 3.635 -8.006 4.873 1.00 53.04 C ATOM 408 CD1 LEU A 28 3.675 -9.168 3.893 1.00 70.24 C ATOM 409 CD2 LEU A 28 2.910 -6.816 4.262 1.00 54.33 C ATOM 0 H LEU A 28 5.017 -6.755 7.112 1.00 62.11 H new ATOM 0 HA LEU A 28 2.080 -6.919 7.431 1.00 64.44 H new ATOM 0 HB2 LEU A 28 3.413 -9.365 6.510 1.00 64.13 H new ATOM 0 HB3 LEU A 28 1.913 -8.635 5.975 1.00 64.13 H new ATOM 0 HG LEU A 28 4.660 -7.708 5.094 1.00 53.04 H new ATOM 0 HD11 LEU A 28 4.157 -8.848 2.969 1.00 70.24 H new ATOM 0 HD12 LEU A 28 4.239 -9.993 4.329 1.00 70.24 H new ATOM 0 HD13 LEU A 28 2.659 -9.497 3.677 1.00 70.24 H new ATOM 0 HD21 LEU A 28 3.402 -6.528 3.333 1.00 54.33 H new ATOM 0 HD22 LEU A 28 1.875 -7.087 4.056 1.00 54.33 H new ATOM 0 HD23 LEU A 28 2.934 -5.978 4.959 1.00 54.33 H new ATOM 421 N GLU A 29 2.441 -9.048 9.029 1.00 32.34 N ATOM 422 CA GLU A 29 2.611 -9.813 10.260 1.00 53.35 C ATOM 423 C GLU A 29 3.255 -11.166 9.974 1.00 21.24 C ATOM 424 O GLU A 29 3.011 -11.776 8.932 1.00 12.23 O ATOM 425 CB GLU A 29 1.261 -10.014 10.952 1.00 50.23 C ATOM 426 CG GLU A 29 1.199 -9.421 12.349 1.00 3.43 C ATOM 427 CD GLU A 29 0.481 -8.086 12.385 1.00 3.52 C ATOM 428 OE1 GLU A 29 0.793 -7.221 11.540 1.00 2.44 O ATOM 429 OE2 GLU A 29 -0.393 -7.906 13.259 1.00 71.22 O ATOM 0 H GLU A 29 1.587 -9.262 8.513 1.00 32.34 H new ATOM 0 HA GLU A 29 3.269 -9.249 10.921 1.00 53.35 H new ATOM 0 HB2 GLU A 29 0.478 -9.565 10.341 1.00 50.23 H new ATOM 0 HB3 GLU A 29 1.047 -11.081 11.010 1.00 50.23 H new ATOM 0 HG2 GLU A 29 0.692 -10.120 13.014 1.00 3.43 H new ATOM 0 HG3 GLU A 29 2.212 -9.295 12.731 1.00 3.43 H new ATOM 436 N LEU A 30 4.080 -11.630 10.907 1.00 75.31 N ATOM 437 CA LEU A 30 4.761 -12.912 10.757 1.00 15.30 C ATOM 438 C LEU A 30 3.766 -14.067 10.817 1.00 24.01 C ATOM 439 O LEU A 30 3.891 -15.047 10.082 1.00 53.04 O ATOM 440 CB LEU A 30 5.821 -13.079 11.847 1.00 15.22 C ATOM 441 CG LEU A 30 7.268 -13.186 11.365 1.00 33.03 C ATOM 442 CD1 LEU A 30 7.506 -14.526 10.686 1.00 43.41 C ATOM 443 CD2 LEU A 30 7.602 -12.040 10.421 1.00 31.24 C ATOM 0 H LEU A 30 4.293 -11.138 11.775 1.00 75.31 H new ATOM 0 HA LEU A 30 5.247 -12.926 9.781 1.00 15.30 H new ATOM 0 HB2 LEU A 30 5.748 -12.232 12.529 1.00 15.22 H new ATOM 0 HB3 LEU A 30 5.584 -13.974 12.423 1.00 15.22 H new ATOM 0 HG LEU A 30 7.926 -13.119 12.232 1.00 33.03 H new ATOM 0 HD11 LEU A 30 8.541 -14.585 10.349 1.00 43.41 H new ATOM 0 HD12 LEU A 30 7.308 -15.332 11.392 1.00 43.41 H new ATOM 0 HD13 LEU A 30 6.840 -14.623 9.829 1.00 43.41 H new ATOM 0 HD21 LEU A 30 8.636 -12.132 10.088 1.00 31.24 H new ATOM 0 HD22 LEU A 30 6.938 -12.075 9.557 1.00 31.24 H new ATOM 0 HD23 LEU A 30 7.472 -11.091 10.941 1.00 31.24 H new ATOM 455 N THR A 31 2.777 -13.945 11.697 1.00 3.11 N ATOM 456 CA THR A 31 1.761 -14.978 11.853 1.00 51.32 C ATOM 457 C THR A 31 0.646 -14.811 10.827 1.00 52.30 C ATOM 458 O THR A 31 -0.335 -15.553 10.838 1.00 75.12 O ATOM 459 CB THR A 31 1.150 -14.956 13.267 1.00 71.14 C ATOM 460 OG1 THR A 31 2.063 -14.347 14.186 1.00 64.12 O ATOM 461 CG2 THR A 31 0.816 -16.365 13.734 1.00 43.14 C ATOM 0 H THR A 31 2.658 -13.140 12.313 1.00 3.11 H new ATOM 0 HA THR A 31 2.257 -15.936 11.695 1.00 51.32 H new ATOM 0 HB THR A 31 0.229 -14.374 13.232 1.00 71.14 H new ATOM 0 HG1 THR A 31 1.666 -14.335 15.082 1.00 64.12 H new ATOM 0 HG21 THR A 31 0.386 -16.324 14.735 1.00 43.14 H new ATOM 0 HG22 THR A 31 0.098 -16.815 13.048 1.00 43.14 H new ATOM 0 HG23 THR A 31 1.725 -16.967 13.754 1.00 43.14 H new ATOM 469 N GLU A 32 0.804 -13.832 9.942 1.00 41.25 N ATOM 470 CA GLU A 32 -0.191 -13.569 8.909 1.00 51.52 C ATOM 471 C GLU A 32 0.284 -14.080 7.552 1.00 22.20 C ATOM 472 O GLU A 32 -0.478 -14.110 6.585 1.00 33.31 O ATOM 473 CB GLU A 32 -0.488 -12.070 8.826 1.00 41.25 C ATOM 474 CG GLU A 32 -1.555 -11.605 9.802 1.00 34.41 C ATOM 475 CD GLU A 32 -1.405 -12.236 11.173 1.00 15.52 C ATOM 476 OE1 GLU A 32 -1.778 -13.418 11.326 1.00 44.02 O ATOM 477 OE2 GLU A 32 -0.917 -11.547 12.093 1.00 1.10 O ATOM 0 H GLU A 32 1.611 -13.208 9.920 1.00 41.25 H new ATOM 0 HA GLU A 32 -1.105 -14.099 9.178 1.00 51.52 H new ATOM 0 HB2 GLU A 32 0.431 -11.515 9.015 1.00 41.25 H new ATOM 0 HB3 GLU A 32 -0.805 -11.827 7.812 1.00 41.25 H new ATOM 0 HG2 GLU A 32 -1.507 -10.520 9.898 1.00 34.41 H new ATOM 0 HG3 GLU A 32 -2.539 -11.846 9.401 1.00 34.41 H new ATOM 484 N LEU A 33 1.549 -14.481 7.488 1.00 61.12 N ATOM 485 CA LEU A 33 2.128 -14.991 6.250 1.00 60.42 C ATOM 486 C LEU A 33 1.505 -16.330 5.869 1.00 72.35 C ATOM 487 O LEU A 33 1.260 -16.601 4.693 1.00 44.13 O ATOM 488 CB LEU A 33 3.643 -15.144 6.397 1.00 31.53 C ATOM 489 CG LEU A 33 4.428 -13.853 6.630 1.00 25.51 C ATOM 490 CD1 LEU A 33 5.629 -14.113 7.527 1.00 61.53 C ATOM 491 CD2 LEU A 33 4.871 -13.252 5.304 1.00 0.02 C ATOM 0 H LEU A 33 2.193 -14.463 8.279 1.00 61.12 H new ATOM 0 HA LEU A 33 1.917 -14.274 5.457 1.00 60.42 H new ATOM 0 HB2 LEU A 33 3.841 -15.821 7.228 1.00 31.53 H new ATOM 0 HB3 LEU A 33 4.029 -15.623 5.497 1.00 31.53 H new ATOM 0 HG LEU A 33 3.775 -13.138 7.130 1.00 25.51 H new ATOM 0 HD11 LEU A 33 6.176 -13.183 7.682 1.00 61.53 H new ATOM 0 HD12 LEU A 33 5.289 -14.498 8.488 1.00 61.53 H new ATOM 0 HD13 LEU A 33 6.284 -14.845 7.055 1.00 61.53 H new ATOM 0 HD21 LEU A 33 5.428 -12.334 5.489 1.00 0.02 H new ATOM 0 HD22 LEU A 33 5.507 -13.963 4.777 1.00 0.02 H new ATOM 0 HD23 LEU A 33 3.995 -13.028 4.695 1.00 0.02 H new ATOM 503 N VAL A 34 1.248 -17.165 6.871 1.00 10.40 N ATOM 504 CA VAL A 34 0.650 -18.474 6.642 1.00 72.35 C ATOM 505 C VAL A 34 -0.632 -18.357 5.825 1.00 71.53 C ATOM 506 O VAL A 34 -0.765 -18.935 4.745 1.00 4.42 O ATOM 507 CB VAL A 34 0.336 -19.188 7.970 1.00 71.54 C ATOM 508 CG1 VAL A 34 -0.875 -20.096 7.815 1.00 13.51 C ATOM 509 CG2 VAL A 34 1.545 -19.977 8.449 1.00 62.23 C ATOM 0 H VAL A 34 1.445 -16.957 7.850 1.00 10.40 H new ATOM 0 HA VAL A 34 1.380 -19.062 6.086 1.00 72.35 H new ATOM 0 HB VAL A 34 0.101 -18.434 8.721 1.00 71.54 H new ATOM 0 HG11 VAL A 34 -1.082 -20.592 8.763 1.00 13.51 H new ATOM 0 HG12 VAL A 34 -1.740 -19.502 7.520 1.00 13.51 H new ATOM 0 HG13 VAL A 34 -0.672 -20.846 7.050 1.00 13.51 H new ATOM 0 HG21 VAL A 34 1.305 -20.475 9.388 1.00 62.23 H new ATOM 0 HG22 VAL A 34 1.812 -20.723 7.701 1.00 62.23 H new ATOM 0 HG23 VAL A 34 2.385 -19.299 8.602 1.00 62.23 H new ATOM 519 N PRO A 35 -1.601 -17.592 6.350 1.00 65.23 N ATOM 520 CA PRO A 35 -2.890 -17.380 5.685 1.00 62.30 C ATOM 521 C PRO A 35 -2.761 -16.526 4.429 1.00 43.05 C ATOM 522 O PRO A 35 -3.668 -16.486 3.598 1.00 72.45 O ATOM 523 CB PRO A 35 -3.720 -16.651 6.745 1.00 45.04 C ATOM 524 CG PRO A 35 -2.715 -15.974 7.612 1.00 13.11 C ATOM 525 CD PRO A 35 -1.511 -16.874 7.632 1.00 33.54 C ATOM 0 HA PRO A 35 -3.333 -18.317 5.347 1.00 62.30 H new ATOM 0 HB2 PRO A 35 -4.400 -15.931 6.290 1.00 45.04 H new ATOM 0 HB3 PRO A 35 -4.332 -17.348 7.318 1.00 45.04 H new ATOM 0 HG2 PRO A 35 -2.460 -14.990 7.218 1.00 13.11 H new ATOM 0 HG3 PRO A 35 -3.106 -15.823 8.618 1.00 13.11 H new ATOM 0 HD2 PRO A 35 -0.585 -16.305 7.710 1.00 33.54 H new ATOM 0 HD3 PRO A 35 -1.536 -17.559 8.479 1.00 33.54 H new ATOM 533 N ARG A 36 -1.628 -15.844 4.296 1.00 3.01 N ATOM 534 CA ARG A 36 -1.381 -14.990 3.141 1.00 42.32 C ATOM 535 C ARG A 36 -0.716 -15.777 2.015 1.00 52.51 C ATOM 536 O ARG A 36 -0.366 -15.217 0.975 1.00 75.34 O ATOM 537 CB ARG A 36 -0.501 -13.803 3.536 1.00 2.43 C ATOM 538 CG ARG A 36 -1.283 -12.527 3.803 1.00 42.23 C ATOM 539 CD ARG A 36 -2.351 -12.740 4.863 1.00 15.44 C ATOM 540 NE ARG A 36 -3.697 -12.532 4.334 1.00 22.13 N ATOM 541 CZ ARG A 36 -4.234 -11.333 4.143 1.00 52.44 C ATOM 542 NH1 ARG A 36 -3.544 -10.239 4.435 1.00 41.12 N ATOM 543 NH2 ARG A 36 -5.464 -11.225 3.657 1.00 34.22 N ATOM 0 H ARG A 36 -0.867 -15.866 4.974 1.00 3.01 H new ATOM 0 HA ARG A 36 -2.341 -14.619 2.784 1.00 42.32 H new ATOM 0 HB2 ARG A 36 0.067 -14.064 4.429 1.00 2.43 H new ATOM 0 HB3 ARG A 36 0.221 -13.617 2.741 1.00 2.43 H new ATOM 0 HG2 ARG A 36 -0.600 -11.741 4.126 1.00 42.23 H new ATOM 0 HG3 ARG A 36 -1.749 -12.184 2.879 1.00 42.23 H new ATOM 0 HD2 ARG A 36 -2.270 -13.752 5.261 1.00 15.44 H new ATOM 0 HD3 ARG A 36 -2.178 -12.056 5.694 1.00 15.44 H new ATOM 0 HE ARG A 36 -4.255 -13.353 4.099 1.00 22.13 H new ATOM 0 HH11 ARG A 36 -2.598 -10.317 4.808 1.00 41.12 H new ATOM 0 HH12 ARG A 36 -3.960 -9.319 4.287 1.00 41.12 H new ATOM 0 HH21 ARG A 36 -5.998 -12.064 3.430 1.00 34.22 H new ATOM 0 HH22 ARG A 36 -5.875 -10.303 3.511 1.00 34.22 H new ATOM 557 N LEU A 37 -0.544 -17.076 2.230 1.00 74.11 N ATOM 558 CA LEU A 37 0.079 -17.941 1.234 1.00 52.43 C ATOM 559 C LEU A 37 1.354 -17.308 0.685 1.00 30.33 C ATOM 560 O LEU A 37 1.502 -17.134 -0.524 1.00 42.43 O ATOM 561 CB LEU A 37 -0.898 -18.221 0.090 1.00 2.51 C ATOM 562 CG LEU A 37 -1.882 -19.369 0.314 1.00 61.31 C ATOM 563 CD1 LEU A 37 -1.142 -20.695 0.411 1.00 52.43 C ATOM 564 CD2 LEU A 37 -2.710 -19.126 1.567 1.00 1.32 C ATOM 0 H LEU A 37 -0.827 -17.554 3.085 1.00 74.11 H new ATOM 0 HA LEU A 37 0.341 -18.882 1.718 1.00 52.43 H new ATOM 0 HB2 LEU A 37 -1.468 -17.313 -0.104 1.00 2.51 H new ATOM 0 HB3 LEU A 37 -0.321 -18.434 -0.810 1.00 2.51 H new ATOM 0 HG LEU A 37 -2.558 -19.414 -0.540 1.00 61.31 H new ATOM 0 HD11 LEU A 37 -1.859 -21.501 0.570 1.00 52.43 H new ATOM 0 HD12 LEU A 37 -0.594 -20.874 -0.514 1.00 52.43 H new ATOM 0 HD13 LEU A 37 -0.442 -20.661 1.246 1.00 52.43 H new ATOM 0 HD21 LEU A 37 -3.405 -19.954 1.710 1.00 1.32 H new ATOM 0 HD22 LEU A 37 -2.050 -19.053 2.431 1.00 1.32 H new ATOM 0 HD23 LEU A 37 -3.270 -18.197 1.459 1.00 1.32 H new ATOM 576 N PHE A 38 2.273 -16.969 1.583 1.00 43.10 N ATOM 577 CA PHE A 38 3.537 -16.357 1.189 1.00 21.22 C ATOM 578 C PHE A 38 4.370 -17.322 0.349 1.00 12.45 C ATOM 579 O PHE A 38 4.396 -18.525 0.609 1.00 14.45 O ATOM 580 CB PHE A 38 4.328 -15.928 2.427 1.00 54.53 C ATOM 581 CG PHE A 38 5.098 -14.653 2.233 1.00 0.22 C ATOM 582 CD1 PHE A 38 4.440 -13.437 2.141 1.00 74.10 C ATOM 583 CD2 PHE A 38 6.481 -14.670 2.144 1.00 74.00 C ATOM 584 CE1 PHE A 38 5.146 -12.263 1.962 1.00 2.11 C ATOM 585 CE2 PHE A 38 7.193 -13.499 1.965 1.00 14.25 C ATOM 586 CZ PHE A 38 6.524 -12.294 1.875 1.00 3.45 C ATOM 0 H PHE A 38 2.166 -17.108 2.588 1.00 43.10 H new ATOM 0 HA PHE A 38 3.314 -15.477 0.586 1.00 21.22 H new ATOM 0 HB2 PHE A 38 3.640 -15.804 3.263 1.00 54.53 H new ATOM 0 HB3 PHE A 38 5.021 -16.724 2.700 1.00 54.53 H new ATOM 0 HD1 PHE A 38 3.363 -13.407 2.210 1.00 74.10 H new ATOM 0 HD2 PHE A 38 7.009 -15.610 2.215 1.00 74.00 H new ATOM 0 HE1 PHE A 38 4.621 -11.322 1.890 1.00 2.11 H new ATOM 0 HE2 PHE A 38 8.270 -13.526 1.896 1.00 14.25 H new ATOM 0 HZ PHE A 38 7.078 -11.377 1.737 1.00 3.45 H new ATOM 596 N ARG A 39 5.049 -16.784 -0.659 1.00 34.32 N ATOM 597 CA ARG A 39 5.881 -17.596 -1.538 1.00 72.43 C ATOM 598 C ARG A 39 6.977 -16.752 -2.181 1.00 63.35 C ATOM 599 O ARG A 39 6.800 -15.556 -2.411 1.00 41.13 O ATOM 600 CB ARG A 39 5.025 -18.252 -2.623 1.00 72.33 C ATOM 601 CG ARG A 39 5.423 -19.687 -2.929 1.00 32.14 C ATOM 602 CD ARG A 39 4.292 -20.656 -2.621 1.00 70.35 C ATOM 603 NE ARG A 39 3.122 -20.416 -3.462 1.00 31.21 N ATOM 604 CZ ARG A 39 3.049 -20.772 -4.740 1.00 24.03 C ATOM 605 NH1 ARG A 39 4.074 -21.381 -5.321 1.00 12.11 N ATOM 606 NH2 ARG A 39 1.950 -20.519 -5.439 1.00 22.23 N ATOM 0 H ARG A 39 5.039 -15.790 -0.887 1.00 34.32 H new ATOM 0 HA ARG A 39 6.351 -18.374 -0.936 1.00 72.43 H new ATOM 0 HB2 ARG A 39 3.981 -18.232 -2.311 1.00 72.33 H new ATOM 0 HB3 ARG A 39 5.096 -17.662 -3.536 1.00 72.33 H new ATOM 0 HG2 ARG A 39 5.701 -19.773 -3.979 1.00 32.14 H new ATOM 0 HG3 ARG A 39 6.303 -19.955 -2.344 1.00 32.14 H new ATOM 0 HD2 ARG A 39 4.640 -21.678 -2.768 1.00 70.35 H new ATOM 0 HD3 ARG A 39 4.010 -20.563 -1.572 1.00 70.35 H new ATOM 0 HE ARG A 39 2.317 -19.949 -3.045 1.00 31.21 H new ATOM 0 HH11 ARG A 39 4.920 -21.577 -4.787 1.00 12.11 H new ATOM 0 HH12 ARG A 39 4.016 -21.653 -6.302 1.00 12.11 H new ATOM 0 HH21 ARG A 39 1.160 -20.051 -4.995 1.00 22.23 H new ATOM 0 HH22 ARG A 39 1.895 -20.793 -6.420 1.00 22.23 H new ATOM 620 N VAL A 40 8.111 -17.384 -2.469 1.00 40.33 N ATOM 621 CA VAL A 40 9.236 -16.692 -3.086 1.00 42.53 C ATOM 622 C VAL A 40 9.706 -17.417 -4.342 1.00 22.20 C ATOM 623 O VAL A 40 9.749 -18.646 -4.381 1.00 62.35 O ATOM 624 CB VAL A 40 10.419 -16.561 -2.109 1.00 24.33 C ATOM 625 CG1 VAL A 40 11.597 -15.875 -2.784 1.00 11.32 C ATOM 626 CG2 VAL A 40 9.996 -15.805 -0.858 1.00 61.43 C ATOM 0 H VAL A 40 8.274 -18.374 -2.285 1.00 40.33 H new ATOM 0 HA VAL A 40 8.885 -15.696 -3.355 1.00 42.53 H new ATOM 0 HB VAL A 40 10.734 -17.561 -1.812 1.00 24.33 H new ATOM 0 HG11 VAL A 40 12.423 -15.792 -2.078 1.00 11.32 H new ATOM 0 HG12 VAL A 40 11.914 -16.462 -3.646 1.00 11.32 H new ATOM 0 HG13 VAL A 40 11.299 -14.879 -3.113 1.00 11.32 H new ATOM 0 HG21 VAL A 40 10.844 -15.722 -0.179 1.00 61.43 H new ATOM 0 HG22 VAL A 40 9.653 -14.808 -1.134 1.00 61.43 H new ATOM 0 HG23 VAL A 40 9.187 -16.343 -0.364 1.00 61.43 H new ATOM 636 N ALA A 41 10.058 -16.648 -5.367 1.00 3.53 N ATOM 637 CA ALA A 41 10.528 -17.217 -6.624 1.00 12.23 C ATOM 638 C ALA A 41 11.152 -16.146 -7.512 1.00 55.12 C ATOM 639 O ALA A 41 11.206 -14.973 -7.142 1.00 62.21 O ATOM 640 CB ALA A 41 9.383 -17.908 -7.350 1.00 43.54 C ATOM 0 H ALA A 41 10.027 -15.629 -5.351 1.00 3.53 H new ATOM 0 HA ALA A 41 11.297 -17.955 -6.396 1.00 12.23 H new ATOM 0 HB1 ALA A 41 9.748 -18.329 -8.287 1.00 43.54 H new ATOM 0 HB2 ALA A 41 8.985 -18.707 -6.724 1.00 43.54 H new ATOM 0 HB3 ALA A 41 8.595 -17.184 -7.559 1.00 43.54 H new ATOM 646 N SER A 42 11.621 -16.557 -8.686 1.00 24.13 N ATOM 647 CA SER A 42 12.246 -15.633 -9.625 1.00 73.13 C ATOM 648 C SER A 42 12.084 -16.126 -11.060 1.00 65.01 C ATOM 649 O SER A 42 11.875 -17.315 -11.301 1.00 72.11 O ATOM 650 CB SER A 42 13.730 -15.463 -9.296 1.00 61.22 C ATOM 651 OG SER A 42 14.543 -16.123 -10.251 1.00 70.20 O ATOM 0 H SER A 42 11.580 -17.524 -9.009 1.00 24.13 H new ATOM 0 HA SER A 42 11.749 -14.667 -9.532 1.00 73.13 H new ATOM 0 HB2 SER A 42 13.981 -14.403 -9.271 1.00 61.22 H new ATOM 0 HB3 SER A 42 13.934 -15.862 -8.302 1.00 61.22 H new ATOM 0 HG SER A 42 15.194 -15.490 -10.619 1.00 70.20 H new ATOM 657 N LYS A 43 12.184 -15.203 -12.011 1.00 32.03 N ATOM 658 CA LYS A 43 12.051 -15.541 -13.423 1.00 13.12 C ATOM 659 C LYS A 43 13.375 -16.045 -13.989 1.00 15.51 C ATOM 660 O LYS A 43 13.401 -16.744 -15.001 1.00 63.35 O ATOM 661 CB LYS A 43 11.575 -14.323 -14.217 1.00 53.52 C ATOM 662 CG LYS A 43 10.198 -14.499 -14.835 1.00 2.13 C ATOM 663 CD LYS A 43 10.193 -15.603 -15.878 1.00 74.52 C ATOM 664 CE LYS A 43 9.072 -15.410 -16.888 1.00 72.41 C ATOM 665 NZ LYS A 43 9.597 -15.171 -18.261 1.00 22.42 N ATOM 0 H LYS A 43 12.357 -14.214 -11.829 1.00 32.03 H new ATOM 0 HA LYS A 43 11.312 -16.337 -13.513 1.00 13.12 H new ATOM 0 HB2 LYS A 43 11.560 -13.454 -13.559 1.00 53.52 H new ATOM 0 HB3 LYS A 43 12.295 -14.112 -15.008 1.00 53.52 H new ATOM 0 HG2 LYS A 43 9.474 -14.732 -14.054 1.00 2.13 H new ATOM 0 HG3 LYS A 43 9.881 -13.562 -15.294 1.00 2.13 H new ATOM 0 HD2 LYS A 43 11.152 -15.620 -16.396 1.00 74.52 H new ATOM 0 HD3 LYS A 43 10.079 -16.569 -15.386 1.00 74.52 H new ATOM 0 HE2 LYS A 43 8.432 -16.292 -16.893 1.00 72.41 H new ATOM 0 HE3 LYS A 43 8.451 -14.567 -16.585 1.00 72.41 H new ATOM 0 HZ1 LYS A 43 8.802 -15.044 -18.919 1.00 22.42 H new ATOM 0 HZ2 LYS A 43 10.188 -14.315 -18.263 1.00 22.42 H new ATOM 0 HZ3 LYS A 43 10.168 -15.986 -18.561 1.00 22.42 H new ATOM 679 N ASP A 44 14.470 -15.685 -13.329 1.00 32.44 N ATOM 680 CA ASP A 44 15.797 -16.103 -13.765 1.00 21.33 C ATOM 681 C ASP A 44 16.002 -17.596 -13.528 1.00 74.54 C ATOM 682 O ASP A 44 15.917 -18.399 -14.458 1.00 33.42 O ATOM 683 CB ASP A 44 16.874 -15.306 -13.028 1.00 1.51 C ATOM 684 CG ASP A 44 17.385 -14.133 -13.842 1.00 55.20 C ATOM 685 OD1 ASP A 44 16.587 -13.213 -14.123 1.00 61.53 O ATOM 686 OD2 ASP A 44 18.582 -14.134 -14.197 1.00 55.02 O ATOM 0 H ASP A 44 14.465 -15.105 -12.490 1.00 32.44 H new ATOM 0 HA ASP A 44 15.879 -15.908 -14.834 1.00 21.33 H new ATOM 0 HB2 ASP A 44 16.469 -14.941 -12.084 1.00 1.51 H new ATOM 0 HB3 ASP A 44 17.707 -15.965 -12.784 1.00 1.51 H new ATOM 691 N ARG A 45 16.272 -17.961 -12.279 1.00 64.14 N ATOM 692 CA ARG A 45 16.491 -19.357 -11.922 1.00 25.35 C ATOM 693 C ARG A 45 15.483 -19.814 -10.871 1.00 42.02 C ATOM 694 O ARG A 45 15.274 -21.010 -10.675 1.00 63.43 O ATOM 695 CB ARG A 45 17.915 -19.554 -11.397 1.00 30.21 C ATOM 696 CG ARG A 45 18.992 -19.146 -12.389 1.00 74.43 C ATOM 697 CD ARG A 45 20.367 -19.616 -11.943 1.00 4.33 C ATOM 698 NE ARG A 45 21.053 -20.373 -12.987 1.00 1.53 N ATOM 699 CZ ARG A 45 21.598 -19.814 -14.062 1.00 32.12 C ATOM 700 NH1 ARG A 45 21.537 -18.501 -14.233 1.00 44.24 N ATOM 701 NH2 ARG A 45 22.205 -20.570 -14.968 1.00 10.21 N ATOM 0 H ARG A 45 16.344 -17.309 -11.498 1.00 64.14 H new ATOM 0 HA ARG A 45 16.354 -19.961 -12.819 1.00 25.35 H new ATOM 0 HB2 ARG A 45 18.039 -18.976 -10.481 1.00 30.21 H new ATOM 0 HB3 ARG A 45 18.054 -20.602 -11.133 1.00 30.21 H new ATOM 0 HG2 ARG A 45 18.763 -19.565 -13.369 1.00 74.43 H new ATOM 0 HG3 ARG A 45 18.995 -18.062 -12.499 1.00 74.43 H new ATOM 0 HD2 ARG A 45 20.972 -18.753 -11.664 1.00 4.33 H new ATOM 0 HD3 ARG A 45 20.267 -20.236 -11.052 1.00 4.33 H new ATOM 0 HE ARG A 45 21.117 -21.386 -12.885 1.00 1.53 H new ATOM 0 HH11 ARG A 45 21.071 -17.917 -13.538 1.00 44.24 H new ATOM 0 HH12 ARG A 45 21.956 -18.074 -15.059 1.00 44.24 H new ATOM 0 HH21 ARG A 45 22.253 -21.581 -14.839 1.00 10.21 H new ATOM 0 HH22 ARG A 45 22.623 -20.140 -15.793 1.00 10.21 H new ATOM 715 N GLY A 46 14.861 -18.851 -10.198 1.00 33.34 N ATOM 716 CA GLY A 46 13.883 -19.174 -9.175 1.00 74.43 C ATOM 717 C GLY A 46 14.519 -19.745 -7.923 1.00 43.35 C ATOM 718 O GLY A 46 13.822 -20.182 -7.008 1.00 73.01 O ATOM 0 H GLY A 46 15.017 -17.853 -10.343 1.00 33.34 H new ATOM 0 HA2 GLY A 46 13.322 -18.276 -8.916 1.00 74.43 H new ATOM 0 HA3 GLY A 46 13.167 -19.892 -9.575 1.00 74.43 H new ATOM 722 N ASP A 47 15.847 -19.742 -7.883 1.00 41.02 N ATOM 723 CA ASP A 47 16.578 -20.264 -6.734 1.00 42.43 C ATOM 724 C ASP A 47 17.724 -19.332 -6.351 1.00 33.14 C ATOM 725 O ASP A 47 18.896 -19.700 -6.445 1.00 55.34 O ATOM 726 CB ASP A 47 17.121 -21.661 -7.040 1.00 11.43 C ATOM 727 CG ASP A 47 16.025 -22.638 -7.417 1.00 10.22 C ATOM 728 OD1 ASP A 47 15.160 -22.918 -6.561 1.00 23.22 O ATOM 729 OD2 ASP A 47 16.032 -23.123 -8.568 1.00 4.03 O ATOM 0 H ASP A 47 16.439 -19.384 -8.633 1.00 41.02 H new ATOM 0 HA ASP A 47 15.888 -20.327 -5.893 1.00 42.43 H new ATOM 0 HB2 ASP A 47 17.843 -21.597 -7.854 1.00 11.43 H new ATOM 0 HB3 ASP A 47 17.656 -22.038 -6.169 1.00 11.43 H new ATOM 734 N LEU A 48 17.378 -18.125 -5.918 1.00 52.41 N ATOM 735 CA LEU A 48 18.377 -17.139 -5.521 1.00 1.12 C ATOM 736 C LEU A 48 18.298 -16.856 -4.024 1.00 30.10 C ATOM 737 O LEU A 48 19.319 -16.791 -3.339 1.00 25.03 O ATOM 738 CB LEU A 48 18.183 -15.841 -6.307 1.00 62.44 C ATOM 739 CG LEU A 48 18.077 -15.987 -7.826 1.00 0.51 C ATOM 740 CD1 LEU A 48 16.639 -16.264 -8.236 1.00 62.24 C ATOM 741 CD2 LEU A 48 18.600 -14.737 -8.519 1.00 14.41 C ATOM 0 H LEU A 48 16.413 -17.805 -5.833 1.00 52.41 H new ATOM 0 HA LEU A 48 19.363 -17.548 -5.744 1.00 1.12 H new ATOM 0 HB2 LEU A 48 17.279 -15.352 -5.945 1.00 62.44 H new ATOM 0 HB3 LEU A 48 19.017 -15.176 -6.083 1.00 62.44 H new ATOM 0 HG LEU A 48 18.691 -16.833 -8.135 1.00 0.51 H new ATOM 0 HD11 LEU A 48 16.583 -16.365 -9.320 1.00 62.24 H new ATOM 0 HD12 LEU A 48 16.298 -17.187 -7.767 1.00 62.24 H new ATOM 0 HD13 LEU A 48 16.004 -15.439 -7.915 1.00 62.24 H new ATOM 0 HD21 LEU A 48 18.517 -14.858 -9.599 1.00 14.41 H new ATOM 0 HD22 LEU A 48 18.013 -13.874 -8.205 1.00 14.41 H new ATOM 0 HD23 LEU A 48 19.645 -14.582 -8.250 1.00 14.41 H new ATOM 753 N LEU A 49 17.079 -16.691 -3.522 1.00 62.01 N ATOM 754 CA LEU A 49 16.866 -16.418 -2.105 1.00 52.41 C ATOM 755 C LEU A 49 15.463 -16.834 -1.675 1.00 72.04 C ATOM 756 O LEU A 49 14.575 -17.009 -2.509 1.00 53.50 O ATOM 757 CB LEU A 49 17.080 -14.931 -1.814 1.00 65.23 C ATOM 758 CG LEU A 49 18.519 -14.507 -1.516 1.00 52.40 C ATOM 759 CD1 LEU A 49 19.183 -13.956 -2.768 1.00 43.31 C ATOM 760 CD2 LEU A 49 18.549 -13.476 -0.396 1.00 65.44 C ATOM 0 H LEU A 49 16.223 -16.741 -4.075 1.00 62.01 H new ATOM 0 HA LEU A 49 17.589 -17.002 -1.535 1.00 52.41 H new ATOM 0 HB2 LEU A 49 16.723 -14.358 -2.670 1.00 65.23 H new ATOM 0 HB3 LEU A 49 16.457 -14.654 -0.964 1.00 65.23 H new ATOM 0 HG LEU A 49 19.077 -15.385 -1.190 1.00 52.40 H new ATOM 0 HD11 LEU A 49 20.206 -13.659 -2.537 1.00 43.31 H new ATOM 0 HD12 LEU A 49 19.194 -14.723 -3.542 1.00 43.31 H new ATOM 0 HD13 LEU A 49 18.626 -13.089 -3.124 1.00 43.31 H new ATOM 0 HD21 LEU A 49 19.580 -13.185 -0.197 1.00 65.44 H new ATOM 0 HD22 LEU A 49 17.976 -12.598 -0.694 1.00 65.44 H new ATOM 0 HD23 LEU A 49 18.112 -13.905 0.506 1.00 65.44 H new ATOM 772 N GLU A 50 15.271 -16.989 -0.369 1.00 60.31 N ATOM 773 CA GLU A 50 13.975 -17.384 0.170 1.00 0.35 C ATOM 774 C GLU A 50 13.771 -16.810 1.570 1.00 52.13 C ATOM 775 O GLU A 50 14.728 -16.616 2.319 1.00 0.11 O ATOM 776 CB GLU A 50 13.857 -18.909 0.211 1.00 41.34 C ATOM 777 CG GLU A 50 13.206 -19.502 -1.027 1.00 54.45 C ATOM 778 CD GLU A 50 12.159 -20.547 -0.692 1.00 44.14 C ATOM 779 OE1 GLU A 50 11.280 -20.260 0.146 1.00 3.34 O ATOM 780 OE2 GLU A 50 12.220 -21.653 -1.270 1.00 43.41 O ATOM 0 H GLU A 50 15.996 -16.847 0.335 1.00 60.31 H new ATOM 0 HA GLU A 50 13.201 -16.985 -0.485 1.00 0.35 H new ATOM 0 HB2 GLU A 50 14.852 -19.339 0.330 1.00 41.34 H new ATOM 0 HB3 GLU A 50 13.278 -19.197 1.089 1.00 41.34 H new ATOM 0 HG2 GLU A 50 12.744 -18.704 -1.608 1.00 54.45 H new ATOM 0 HG3 GLU A 50 13.974 -19.951 -1.657 1.00 54.45 H new ATOM 787 N VAL A 51 12.516 -16.540 1.915 1.00 52.43 N ATOM 788 CA VAL A 51 12.185 -15.989 3.223 1.00 15.43 C ATOM 789 C VAL A 51 11.813 -17.093 4.207 1.00 43.24 C ATOM 790 O VAL A 51 11.199 -18.091 3.832 1.00 51.40 O ATOM 791 CB VAL A 51 11.019 -14.985 3.131 1.00 25.31 C ATOM 792 CG1 VAL A 51 9.817 -15.624 2.453 1.00 31.04 C ATOM 793 CG2 VAL A 51 10.651 -14.469 4.514 1.00 72.12 C ATOM 0 H VAL A 51 11.712 -16.694 1.307 1.00 52.43 H new ATOM 0 HA VAL A 51 13.074 -15.471 3.582 1.00 15.43 H new ATOM 0 HB VAL A 51 11.338 -14.137 2.525 1.00 25.31 H new ATOM 0 HG11 VAL A 51 9.004 -14.901 2.397 1.00 31.04 H new ATOM 0 HG12 VAL A 51 10.092 -15.939 1.447 1.00 31.04 H new ATOM 0 HG13 VAL A 51 9.493 -16.491 3.029 1.00 31.04 H new ATOM 0 HG21 VAL A 51 9.826 -13.761 4.431 1.00 72.12 H new ATOM 0 HG22 VAL A 51 10.350 -15.305 5.146 1.00 72.12 H new ATOM 0 HG23 VAL A 51 11.513 -13.971 4.958 1.00 72.12 H new ATOM 803 N ASN A 52 12.190 -16.906 5.467 1.00 25.43 N ATOM 804 CA ASN A 52 11.897 -17.887 6.506 1.00 70.20 C ATOM 805 C ASN A 52 10.738 -17.421 7.382 1.00 20.41 C ATOM 806 O ASN A 52 10.823 -16.386 8.044 1.00 33.11 O ATOM 807 CB ASN A 52 13.136 -18.134 7.369 1.00 43.42 C ATOM 808 CG ASN A 52 13.380 -19.609 7.622 1.00 4.31 C ATOM 809 OD1 ASN A 52 14.509 -20.090 7.515 1.00 55.12 O ATOM 810 ND2 ASN A 52 12.321 -20.334 7.960 1.00 73.20 N ATOM 0 H ASN A 52 12.699 -16.085 5.794 1.00 25.43 H new ATOM 0 HA ASN A 52 11.610 -18.819 6.020 1.00 70.20 H new ATOM 0 HB2 ASN A 52 14.009 -17.703 6.878 1.00 43.42 H new ATOM 0 HB3 ASN A 52 13.020 -17.619 8.323 1.00 43.42 H new ATOM 0 HD21 ASN A 52 12.424 -21.332 8.143 1.00 73.20 H new ATOM 0 HD22 ASN A 52 11.404 -19.893 8.037 1.00 73.20 H new ATOM 817 N LEU A 53 9.656 -18.193 7.382 1.00 45.32 N ATOM 818 CA LEU A 53 8.480 -17.860 8.177 1.00 34.43 C ATOM 819 C LEU A 53 8.807 -17.874 9.667 1.00 64.51 C ATOM 820 O LEU A 53 8.041 -17.366 10.485 1.00 63.21 O ATOM 821 CB LEU A 53 7.346 -18.845 7.883 1.00 25.15 C ATOM 822 CG LEU A 53 6.458 -18.508 6.686 1.00 51.04 C ATOM 823 CD1 LEU A 53 6.355 -19.699 5.745 1.00 4.41 C ATOM 824 CD2 LEU A 53 5.076 -18.074 7.152 1.00 10.11 C ATOM 0 H LEU A 53 9.569 -19.053 6.841 1.00 45.32 H new ATOM 0 HA LEU A 53 8.160 -16.854 7.904 1.00 34.43 H new ATOM 0 HB2 LEU A 53 7.781 -19.831 7.721 1.00 25.15 H new ATOM 0 HB3 LEU A 53 6.715 -18.917 8.769 1.00 25.15 H new ATOM 0 HG LEU A 53 6.913 -17.680 6.143 1.00 51.04 H new ATOM 0 HD11 LEU A 53 5.719 -19.440 4.899 1.00 4.41 H new ATOM 0 HD12 LEU A 53 7.349 -19.965 5.384 1.00 4.41 H new ATOM 0 HD13 LEU A 53 5.924 -20.547 6.277 1.00 4.41 H new ATOM 0 HD21 LEU A 53 4.458 -17.838 6.286 1.00 10.11 H new ATOM 0 HD22 LEU A 53 4.613 -18.881 7.719 1.00 10.11 H new ATOM 0 HD23 LEU A 53 5.166 -17.191 7.785 1.00 10.11 H new ATOM 836 N GLN A 54 9.951 -18.458 10.010 1.00 2.23 N ATOM 837 CA GLN A 54 10.381 -18.536 11.402 1.00 74.04 C ATOM 838 C GLN A 54 10.338 -17.162 12.062 1.00 23.24 C ATOM 839 O GLN A 54 9.762 -16.997 13.137 1.00 61.13 O ATOM 840 CB GLN A 54 11.794 -19.114 11.489 1.00 22.03 C ATOM 841 CG GLN A 54 11.824 -20.619 11.702 1.00 40.05 C ATOM 842 CD GLN A 54 11.371 -21.022 13.091 1.00 1.52 C ATOM 843 OE1 GLN A 54 11.899 -20.538 14.093 1.00 12.20 O ATOM 844 NE2 GLN A 54 10.388 -21.912 13.159 1.00 1.41 N ATOM 0 H GLN A 54 10.596 -18.884 9.344 1.00 2.23 H new ATOM 0 HA GLN A 54 9.694 -19.195 11.933 1.00 74.04 H new ATOM 0 HB2 GLN A 54 12.333 -18.874 10.572 1.00 22.03 H new ATOM 0 HB3 GLN A 54 12.326 -18.629 12.307 1.00 22.03 H new ATOM 0 HG2 GLN A 54 11.184 -21.099 10.962 1.00 40.05 H new ATOM 0 HG3 GLN A 54 12.837 -20.986 11.534 1.00 40.05 H new ATOM 0 HE21 GLN A 54 9.979 -22.287 12.303 1.00 1.41 H new ATOM 0 HE22 GLN A 54 10.041 -22.221 14.067 1.00 1.41 H new ATOM 853 N ASN A 55 10.953 -16.179 11.413 1.00 61.25 N ATOM 854 CA ASN A 55 10.986 -14.819 11.938 1.00 63.20 C ATOM 855 C ASN A 55 10.875 -13.797 10.810 1.00 20.54 C ATOM 856 O ASN A 55 11.246 -12.636 10.972 1.00 11.33 O ATOM 857 CB ASN A 55 12.276 -14.586 12.727 1.00 65.32 C ATOM 858 CG ASN A 55 12.132 -13.486 13.761 1.00 75.44 C ATOM 859 OD1 ASN A 55 11.169 -12.720 13.737 1.00 53.44 O ATOM 860 ND2 ASN A 55 13.091 -13.404 14.675 1.00 34.34 N ATOM 0 H ASN A 55 11.435 -16.299 10.522 1.00 61.25 H new ATOM 0 HA ASN A 55 10.132 -14.693 12.604 1.00 63.20 H new ATOM 0 HB2 ASN A 55 12.567 -15.512 13.224 1.00 65.32 H new ATOM 0 HB3 ASN A 55 13.079 -14.329 12.037 1.00 65.32 H new ATOM 0 HD21 ASN A 55 13.048 -12.684 15.396 1.00 34.34 H new ATOM 0 HD22 ASN A 55 13.871 -14.061 14.656 1.00 34.34 H new ATOM 867 N GLY A 56 10.360 -14.240 9.667 1.00 44.32 N ATOM 868 CA GLY A 56 10.209 -13.352 8.529 1.00 11.20 C ATOM 869 C GLY A 56 11.535 -12.802 8.042 1.00 70.43 C ATOM 870 O GLY A 56 11.586 -11.731 7.436 1.00 34.41 O ATOM 0 H GLY A 56 10.045 -15.197 9.509 1.00 44.32 H new ATOM 0 HA2 GLY A 56 9.721 -13.889 7.715 1.00 11.20 H new ATOM 0 HA3 GLY A 56 9.554 -12.524 8.802 1.00 11.20 H new ATOM 874 N ILE A 57 12.611 -13.536 8.307 1.00 12.42 N ATOM 875 CA ILE A 57 13.943 -13.115 7.892 1.00 40.22 C ATOM 876 C ILE A 57 14.289 -13.668 6.514 1.00 45.14 C ATOM 877 O ILE A 57 13.850 -14.757 6.141 1.00 1.30 O ATOM 878 CB ILE A 57 15.016 -13.568 8.899 1.00 2.01 C ATOM 879 CG1 ILE A 57 16.375 -12.968 8.534 1.00 4.41 C ATOM 880 CG2 ILE A 57 15.096 -15.087 8.941 1.00 51.33 C ATOM 881 CD1 ILE A 57 16.368 -11.457 8.457 1.00 54.11 C ATOM 0 H ILE A 57 12.586 -14.425 8.807 1.00 12.42 H new ATOM 0 HA ILE A 57 13.932 -12.026 7.852 1.00 40.22 H new ATOM 0 HB ILE A 57 14.736 -13.211 9.890 1.00 2.01 H new ATOM 0 HG12 ILE A 57 17.112 -13.283 9.273 1.00 4.41 H new ATOM 0 HG13 ILE A 57 16.695 -13.371 7.573 1.00 4.41 H new ATOM 0 HG21 ILE A 57 15.859 -15.391 9.657 1.00 51.33 H new ATOM 0 HG22 ILE A 57 14.131 -15.494 9.244 1.00 51.33 H new ATOM 0 HG23 ILE A 57 15.355 -15.465 7.952 1.00 51.33 H new ATOM 0 HD11 ILE A 57 17.364 -11.101 8.194 1.00 54.11 H new ATOM 0 HD12 ILE A 57 15.655 -11.135 7.698 1.00 54.11 H new ATOM 0 HD13 ILE A 57 16.079 -11.045 9.424 1.00 54.11 H new ATOM 893 N LEU A 58 15.081 -12.912 5.761 1.00 63.10 N ATOM 894 CA LEU A 58 15.489 -13.327 4.423 1.00 25.23 C ATOM 895 C LEU A 58 16.856 -14.004 4.456 1.00 1.34 C ATOM 896 O LEU A 58 17.854 -13.393 4.839 1.00 10.44 O ATOM 897 CB LEU A 58 15.527 -12.121 3.483 1.00 24.11 C ATOM 898 CG LEU A 58 14.986 -12.353 2.072 1.00 42.01 C ATOM 899 CD1 LEU A 58 15.854 -13.354 1.325 1.00 44.51 C ATOM 900 CD2 LEU A 58 13.543 -12.832 2.126 1.00 20.42 C ATOM 0 H LEU A 58 15.453 -12.009 6.054 1.00 63.10 H new ATOM 0 HA LEU A 58 14.757 -14.045 4.053 1.00 25.23 H new ATOM 0 HB2 LEU A 58 14.958 -11.311 3.940 1.00 24.11 H new ATOM 0 HB3 LEU A 58 16.559 -11.780 3.403 1.00 24.11 H new ATOM 0 HG LEU A 58 15.014 -11.406 1.533 1.00 42.01 H new ATOM 0 HD11 LEU A 58 15.453 -13.506 0.323 1.00 44.51 H new ATOM 0 HD12 LEU A 58 16.872 -12.971 1.254 1.00 44.51 H new ATOM 0 HD13 LEU A 58 15.859 -14.303 1.862 1.00 44.51 H new ATOM 0 HD21 LEU A 58 13.175 -12.992 1.113 1.00 20.42 H new ATOM 0 HD22 LEU A 58 13.491 -13.768 2.683 1.00 20.42 H new ATOM 0 HD23 LEU A 58 12.928 -12.080 2.621 1.00 20.42 H new ATOM 912 N PHE A 59 16.894 -15.269 4.051 1.00 44.44 N ATOM 913 CA PHE A 59 18.139 -16.028 4.032 1.00 20.35 C ATOM 914 C PHE A 59 18.599 -16.284 2.600 1.00 22.23 C ATOM 915 O PHE A 59 17.792 -16.306 1.671 1.00 12.32 O ATOM 916 CB PHE A 59 17.960 -17.358 4.768 1.00 24.00 C ATOM 917 CG PHE A 59 16.890 -18.231 4.177 1.00 2.22 C ATOM 918 CD1 PHE A 59 17.192 -19.137 3.174 1.00 45.03 C ATOM 919 CD2 PHE A 59 15.582 -18.145 4.625 1.00 11.42 C ATOM 920 CE1 PHE A 59 16.210 -19.942 2.628 1.00 1.10 C ATOM 921 CE2 PHE A 59 14.596 -18.947 4.084 1.00 75.23 C ATOM 922 CZ PHE A 59 14.910 -19.846 3.083 1.00 33.01 C ATOM 0 H PHE A 59 16.077 -15.790 3.732 1.00 44.44 H new ATOM 0 HA PHE A 59 18.903 -15.439 4.540 1.00 20.35 H new ATOM 0 HB2 PHE A 59 18.906 -17.900 4.758 1.00 24.00 H new ATOM 0 HB3 PHE A 59 17.718 -17.157 5.812 1.00 24.00 H new ATOM 0 HD1 PHE A 59 18.207 -19.215 2.814 1.00 45.03 H new ATOM 0 HD2 PHE A 59 15.330 -17.443 5.406 1.00 11.42 H new ATOM 0 HE1 PHE A 59 16.459 -20.645 1.847 1.00 1.10 H new ATOM 0 HE2 PHE A 59 13.580 -18.871 4.443 1.00 75.23 H new ATOM 0 HZ PHE A 59 14.140 -20.472 2.657 1.00 33.01 H new ATOM 932 N VAL A 60 19.903 -16.477 2.430 1.00 63.34 N ATOM 933 CA VAL A 60 20.472 -16.732 1.112 1.00 63.33 C ATOM 934 C VAL A 60 20.145 -18.143 0.635 1.00 14.12 C ATOM 935 O VAL A 60 20.063 -19.075 1.434 1.00 72.24 O ATOM 936 CB VAL A 60 22.001 -16.546 1.115 1.00 42.42 C ATOM 937 CG1 VAL A 60 22.570 -16.773 -0.278 1.00 12.54 C ATOM 938 CG2 VAL A 60 22.367 -15.162 1.630 1.00 25.02 C ATOM 0 H VAL A 60 20.585 -16.462 3.188 1.00 63.34 H new ATOM 0 HA VAL A 60 20.026 -16.008 0.430 1.00 63.33 H new ATOM 0 HB VAL A 60 22.439 -17.286 1.785 1.00 42.42 H new ATOM 0 HG11 VAL A 60 23.651 -16.637 -0.256 1.00 12.54 H new ATOM 0 HG12 VAL A 60 22.338 -17.787 -0.605 1.00 12.54 H new ATOM 0 HG13 VAL A 60 22.129 -16.058 -0.972 1.00 12.54 H new ATOM 0 HG21 VAL A 60 23.451 -15.047 1.626 1.00 25.02 H new ATOM 0 HG22 VAL A 60 21.919 -14.404 0.987 1.00 25.02 H new ATOM 0 HG23 VAL A 60 21.993 -15.042 2.647 1.00 25.02 H new ATOM 948 N ASN A 61 19.958 -18.292 -0.672 1.00 42.43 N ATOM 949 CA ASN A 61 19.639 -19.589 -1.256 1.00 62.42 C ATOM 950 C ASN A 61 20.263 -19.731 -2.641 1.00 65.01 C ATOM 951 O ASN A 61 19.597 -20.131 -3.596 1.00 1.23 O ATOM 952 CB ASN A 61 18.123 -19.772 -1.347 1.00 31.31 C ATOM 953 CG ASN A 61 17.714 -21.233 -1.325 1.00 44.41 C ATOM 954 OD1 ASN A 61 17.556 -21.829 -0.260 1.00 0.44 O ATOM 955 ND2 ASN A 61 17.542 -21.816 -2.505 1.00 71.24 N ATOM 0 H ASN A 61 20.022 -17.530 -1.347 1.00 42.43 H new ATOM 0 HA ASN A 61 20.054 -20.362 -0.609 1.00 62.42 H new ATOM 0 HB2 ASN A 61 17.647 -19.252 -0.516 1.00 31.31 H new ATOM 0 HB3 ASN A 61 17.758 -19.309 -2.264 1.00 31.31 H new ATOM 0 HD21 ASN A 61 17.268 -22.797 -2.554 1.00 71.24 H new ATOM 0 HD22 ASN A 61 17.684 -21.283 -3.363 1.00 71.24 H new ATOM 962 N SER A 62 21.547 -19.401 -2.742 1.00 61.02 N ATOM 963 CA SER A 62 22.261 -19.488 -4.011 1.00 22.24 C ATOM 964 C SER A 62 23.764 -19.333 -3.800 1.00 22.54 C ATOM 965 O SER A 62 24.223 -19.079 -2.686 1.00 13.22 O ATOM 966 CB SER A 62 21.757 -18.416 -4.978 1.00 45.34 C ATOM 967 OG SER A 62 21.382 -18.985 -6.220 1.00 75.53 O ATOM 0 H SER A 62 22.114 -19.071 -1.961 1.00 61.02 H new ATOM 0 HA SER A 62 22.071 -20.472 -4.440 1.00 22.24 H new ATOM 0 HB2 SER A 62 20.904 -17.898 -4.539 1.00 45.34 H new ATOM 0 HB3 SER A 62 22.536 -17.670 -5.137 1.00 45.34 H new ATOM 0 HG SER A 62 20.548 -19.487 -6.111 1.00 75.53 H new ATOM 973 N ARG A 63 24.526 -19.489 -4.878 1.00 32.45 N ATOM 974 CA ARG A 63 25.977 -19.369 -4.812 1.00 2.55 C ATOM 975 C ARG A 63 26.411 -17.918 -5.003 1.00 23.30 C ATOM 976 O ARG A 63 26.664 -17.479 -6.125 1.00 54.32 O ATOM 977 CB ARG A 63 26.633 -20.253 -5.874 1.00 13.21 C ATOM 978 CG ARG A 63 26.227 -21.715 -5.785 1.00 13.24 C ATOM 979 CD ARG A 63 27.019 -22.449 -4.714 1.00 43.42 C ATOM 980 NE ARG A 63 27.738 -23.598 -5.257 1.00 22.10 N ATOM 981 CZ ARG A 63 28.226 -24.580 -4.508 1.00 22.53 C ATOM 982 NH1 ARG A 63 28.073 -24.553 -3.191 1.00 73.30 N ATOM 983 NH2 ARG A 63 28.869 -25.593 -5.075 1.00 73.24 N ATOM 0 H ARG A 63 24.162 -19.699 -5.807 1.00 32.45 H new ATOM 0 HA ARG A 63 26.299 -19.700 -3.825 1.00 2.55 H new ATOM 0 HB2 ARG A 63 26.374 -19.872 -6.862 1.00 13.21 H new ATOM 0 HB3 ARG A 63 27.716 -20.179 -5.778 1.00 13.21 H new ATOM 0 HG2 ARG A 63 25.162 -21.785 -5.564 1.00 13.24 H new ATOM 0 HG3 ARG A 63 26.384 -22.197 -6.750 1.00 13.24 H new ATOM 0 HD2 ARG A 63 27.729 -21.762 -4.253 1.00 43.42 H new ATOM 0 HD3 ARG A 63 26.342 -22.783 -3.928 1.00 43.42 H new ATOM 0 HE ARG A 63 27.873 -23.649 -6.267 1.00 22.10 H new ATOM 0 HH11 ARG A 63 27.579 -23.777 -2.751 1.00 73.30 H new ATOM 0 HH12 ARG A 63 28.449 -25.309 -2.618 1.00 73.30 H new ATOM 0 HH21 ARG A 63 28.989 -25.618 -6.088 1.00 73.24 H new ATOM 0 HH22 ARG A 63 29.243 -26.346 -4.498 1.00 73.24 H new ATOM 997 N ILE A 64 26.495 -17.181 -3.901 1.00 3.11 N ATOM 998 CA ILE A 64 26.899 -15.781 -3.948 1.00 22.22 C ATOM 999 C ILE A 64 28.384 -15.648 -4.267 1.00 24.00 C ATOM 1000 O ILE A 64 28.853 -14.578 -4.655 1.00 51.32 O ATOM 1001 CB ILE A 64 26.606 -15.066 -2.616 1.00 13.40 C ATOM 1002 CG1 ILE A 64 25.194 -15.403 -2.131 1.00 24.02 C ATOM 1003 CG2 ILE A 64 26.772 -13.562 -2.775 1.00 55.41 C ATOM 1004 CD1 ILE A 64 24.112 -15.046 -3.126 1.00 21.54 C ATOM 0 H ILE A 64 26.289 -17.530 -2.965 1.00 3.11 H new ATOM 0 HA ILE A 64 26.316 -15.311 -4.740 1.00 22.22 H new ATOM 0 HB ILE A 64 27.319 -15.414 -1.869 1.00 13.40 H new ATOM 0 HG12 ILE A 64 25.138 -16.470 -1.913 1.00 24.02 H new ATOM 0 HG13 ILE A 64 25.004 -14.876 -1.196 1.00 24.02 H new ATOM 0 HG21 ILE A 64 26.562 -13.070 -1.825 1.00 55.41 H new ATOM 0 HG22 ILE A 64 27.794 -13.339 -3.080 1.00 55.41 H new ATOM 0 HG23 ILE A 64 26.079 -13.198 -3.534 1.00 55.41 H new ATOM 0 HD11 ILE A 64 23.138 -15.313 -2.716 1.00 21.54 H new ATOM 0 HD12 ILE A 64 24.141 -13.975 -3.326 1.00 21.54 H new ATOM 0 HD13 ILE A 64 24.277 -15.593 -4.054 1.00 21.54 H new ATOM 1016 N ASP A 65 29.120 -16.742 -4.102 1.00 75.25 N ATOM 1017 CA ASP A 65 30.552 -16.749 -4.376 1.00 31.20 C ATOM 1018 C ASP A 65 30.863 -15.992 -5.663 1.00 60.34 C ATOM 1019 O ASP A 65 30.182 -16.162 -6.675 1.00 22.11 O ATOM 1020 CB ASP A 65 31.066 -18.186 -4.477 1.00 63.04 C ATOM 1021 CG ASP A 65 32.155 -18.484 -3.465 1.00 34.21 C ATOM 1022 OD1 ASP A 65 32.973 -17.582 -3.191 1.00 41.13 O ATOM 1023 OD2 ASP A 65 32.188 -19.620 -2.947 1.00 23.23 O ATOM 0 H ASP A 65 28.748 -17.635 -3.780 1.00 75.25 H new ATOM 0 HA ASP A 65 31.058 -16.248 -3.551 1.00 31.20 H new ATOM 0 HB2 ASP A 65 30.236 -18.877 -4.328 1.00 63.04 H new ATOM 0 HB3 ASP A 65 31.450 -18.362 -5.482 1.00 63.04 H new ATOM 1028 N ARG A 66 31.895 -15.156 -5.617 1.00 51.14 N ATOM 1029 CA ARG A 66 32.295 -14.371 -6.779 1.00 74.23 C ATOM 1030 C ARG A 66 32.539 -15.272 -7.986 1.00 74.42 C ATOM 1031 O ARG A 66 32.456 -14.828 -9.131 1.00 24.03 O ATOM 1032 CB ARG A 66 33.557 -13.566 -6.467 1.00 41.44 C ATOM 1033 CG ARG A 66 33.281 -12.252 -5.754 1.00 73.20 C ATOM 1034 CD ARG A 66 34.512 -11.360 -5.732 1.00 61.14 C ATOM 1035 NE ARG A 66 35.687 -12.061 -5.223 1.00 22.55 N ATOM 1036 CZ ARG A 66 35.873 -12.346 -3.938 1.00 65.14 C ATOM 1037 NH1 ARG A 66 34.966 -11.992 -3.039 1.00 42.40 N ATOM 1038 NH2 ARG A 66 36.969 -12.987 -3.552 1.00 30.31 N ATOM 0 H ARG A 66 32.469 -15.005 -4.788 1.00 51.14 H new ATOM 0 HA ARG A 66 31.484 -13.684 -7.018 1.00 74.23 H new ATOM 0 HB2 ARG A 66 34.221 -14.172 -5.850 1.00 41.44 H new ATOM 0 HB3 ARG A 66 34.086 -13.360 -7.398 1.00 41.44 H new ATOM 0 HG2 ARG A 66 32.463 -11.732 -6.252 1.00 73.20 H new ATOM 0 HG3 ARG A 66 32.957 -12.452 -4.733 1.00 73.20 H new ATOM 0 HD2 ARG A 66 34.715 -10.997 -6.740 1.00 61.14 H new ATOM 0 HD3 ARG A 66 34.315 -10.485 -5.112 1.00 61.14 H new ATOM 0 HE ARG A 66 36.404 -12.348 -5.889 1.00 22.55 H new ATOM 0 HH11 ARG A 66 34.122 -11.499 -3.332 1.00 42.40 H new ATOM 0 HH12 ARG A 66 35.112 -12.212 -2.054 1.00 42.40 H new ATOM 0 HH21 ARG A 66 37.669 -13.261 -4.241 1.00 30.31 H new ATOM 0 HH22 ARG A 66 37.111 -13.206 -2.566 1.00 30.31 H new ATOM 1052 N GLU A 67 32.839 -16.540 -7.721 1.00 4.21 N ATOM 1053 CA GLU A 67 33.097 -17.502 -8.786 1.00 34.23 C ATOM 1054 C GLU A 67 31.796 -17.923 -9.464 1.00 63.42 C ATOM 1055 O GLU A 67 31.725 -18.015 -10.689 1.00 44.33 O ATOM 1056 CB GLU A 67 33.816 -18.733 -8.229 1.00 12.43 C ATOM 1057 CG GLU A 67 35.316 -18.723 -8.471 1.00 53.34 C ATOM 1058 CD GLU A 67 36.069 -17.913 -7.434 1.00 42.45 C ATOM 1059 OE1 GLU A 67 35.542 -17.747 -6.314 1.00 50.45 O ATOM 1060 OE2 GLU A 67 37.185 -17.445 -7.742 1.00 41.35 O ATOM 0 H GLU A 67 32.909 -16.924 -6.779 1.00 4.21 H new ATOM 0 HA GLU A 67 33.736 -17.022 -9.528 1.00 34.23 H new ATOM 0 HB2 GLU A 67 33.630 -18.798 -7.157 1.00 12.43 H new ATOM 0 HB3 GLU A 67 33.389 -19.628 -8.681 1.00 12.43 H new ATOM 0 HG2 GLU A 67 35.688 -19.748 -8.466 1.00 53.34 H new ATOM 0 HG3 GLU A 67 35.518 -18.315 -9.462 1.00 53.34 H new ATOM 1067 N GLU A 68 30.771 -18.179 -8.658 1.00 33.10 N ATOM 1068 CA GLU A 68 29.474 -18.592 -9.181 1.00 34.24 C ATOM 1069 C GLU A 68 28.650 -17.382 -9.610 1.00 53.34 C ATOM 1070 O GLU A 68 28.237 -17.276 -10.766 1.00 72.11 O ATOM 1071 CB GLU A 68 28.708 -19.397 -8.128 1.00 55.42 C ATOM 1072 CG GLU A 68 28.556 -20.867 -8.478 1.00 21.52 C ATOM 1073 CD GLU A 68 29.635 -21.730 -7.851 1.00 55.04 C ATOM 1074 OE1 GLU A 68 29.980 -21.489 -6.676 1.00 13.11 O ATOM 1075 OE2 GLU A 68 30.133 -22.647 -8.538 1.00 1.33 O ATOM 0 H GLU A 68 30.813 -18.108 -7.641 1.00 33.10 H new ATOM 0 HA GLU A 68 29.646 -19.221 -10.055 1.00 34.24 H new ATOM 0 HB2 GLU A 68 29.224 -19.311 -7.171 1.00 55.42 H new ATOM 0 HB3 GLU A 68 27.718 -18.959 -7.997 1.00 55.42 H new ATOM 0 HG2 GLU A 68 27.578 -21.216 -8.147 1.00 21.52 H new ATOM 0 HG3 GLU A 68 28.586 -20.984 -9.561 1.00 21.52 H new ATOM 1082 N LEU A 69 28.414 -16.471 -8.673 1.00 33.15 N ATOM 1083 CA LEU A 69 27.639 -15.267 -8.953 1.00 34.33 C ATOM 1084 C LEU A 69 28.170 -14.554 -10.191 1.00 41.55 C ATOM 1085 O LEU A 69 27.547 -14.583 -11.253 1.00 50.42 O ATOM 1086 CB LEU A 69 27.675 -14.322 -7.750 1.00 61.25 C ATOM 1087 CG LEU A 69 26.338 -13.700 -7.345 1.00 24.53 C ATOM 1088 CD1 LEU A 69 25.302 -14.783 -7.087 1.00 23.52 C ATOM 1089 CD2 LEU A 69 26.511 -12.821 -6.115 1.00 13.02 C ATOM 0 H LEU A 69 28.748 -16.543 -7.712 1.00 33.15 H new ATOM 0 HA LEU A 69 26.608 -15.564 -9.142 1.00 34.33 H new ATOM 0 HB2 LEU A 69 28.072 -14.869 -6.895 1.00 61.25 H new ATOM 0 HB3 LEU A 69 28.377 -13.517 -7.967 1.00 61.25 H new ATOM 0 HG LEU A 69 25.985 -13.077 -8.166 1.00 24.53 H new ATOM 0 HD11 LEU A 69 24.357 -14.322 -6.800 1.00 23.52 H new ATOM 0 HD12 LEU A 69 25.158 -15.372 -7.993 1.00 23.52 H new ATOM 0 HD13 LEU A 69 25.647 -15.433 -6.283 1.00 23.52 H new ATOM 0 HD21 LEU A 69 25.550 -12.386 -5.840 1.00 13.02 H new ATOM 0 HD22 LEU A 69 26.887 -13.423 -5.288 1.00 13.02 H new ATOM 0 HD23 LEU A 69 27.221 -12.023 -6.335 1.00 13.02 H new ATOM 1101 N CYS A 70 29.326 -13.915 -10.049 1.00 45.53 N ATOM 1102 CA CYS A 70 29.944 -13.194 -11.156 1.00 71.44 C ATOM 1103 C CYS A 70 31.419 -12.923 -10.874 1.00 33.13 C ATOM 1104 O CYS A 70 32.288 -13.266 -11.673 1.00 64.51 O ATOM 1105 CB CYS A 70 29.210 -11.875 -11.407 1.00 22.44 C ATOM 1106 SG CYS A 70 28.556 -11.091 -9.898 1.00 41.33 S ATOM 0 H CYS A 70 29.855 -13.882 -9.177 1.00 45.53 H new ATOM 0 HA CYS A 70 29.872 -13.817 -12.047 1.00 71.44 H new ATOM 0 HB2 CYS A 70 29.891 -11.180 -11.899 1.00 22.44 H new ATOM 0 HB3 CYS A 70 28.385 -12.056 -12.097 1.00 22.44 H new ATOM 1111 N GLY A 71 31.692 -12.304 -9.729 1.00 42.01 N ATOM 1112 CA GLY A 71 33.062 -11.997 -9.361 1.00 31.04 C ATOM 1113 C GLY A 71 33.613 -10.805 -10.118 1.00 33.02 C ATOM 1114 O GLY A 71 34.007 -9.807 -9.515 1.00 44.20 O ATOM 0 H GLY A 71 30.989 -12.010 -9.050 1.00 42.01 H new ATOM 0 HA2 GLY A 71 33.111 -11.798 -8.290 1.00 31.04 H new ATOM 0 HA3 GLY A 71 33.690 -12.867 -9.553 1.00 31.04 H new ATOM 1118 N ARG A 72 33.641 -10.909 -11.442 1.00 64.24 N ATOM 1119 CA ARG A 72 34.151 -9.832 -12.283 1.00 30.24 C ATOM 1120 C ARG A 72 33.508 -8.500 -11.909 1.00 35.13 C ATOM 1121 O ARG A 72 34.136 -7.652 -11.276 1.00 0.31 O ATOM 1122 CB ARG A 72 33.890 -10.141 -13.758 1.00 51.40 C ATOM 1123 CG ARG A 72 35.084 -10.750 -14.473 1.00 63.25 C ATOM 1124 CD ARG A 72 34.665 -11.464 -15.749 1.00 31.10 C ATOM 1125 NE ARG A 72 35.519 -12.613 -16.039 1.00 53.13 N ATOM 1126 CZ ARG A 72 36.774 -12.508 -16.460 1.00 43.41 C ATOM 1127 NH1 ARG A 72 37.319 -11.312 -16.638 1.00 62.12 N ATOM 1128 NH2 ARG A 72 37.488 -13.600 -16.703 1.00 54.21 N ATOM 0 H ARG A 72 33.317 -11.728 -11.956 1.00 64.24 H new ATOM 0 HA ARG A 72 35.226 -9.755 -12.120 1.00 30.24 H new ATOM 0 HB2 ARG A 72 33.045 -10.825 -13.833 1.00 51.40 H new ATOM 0 HB3 ARG A 72 33.602 -9.221 -14.268 1.00 51.40 H new ATOM 0 HG2 ARG A 72 35.804 -9.967 -14.712 1.00 63.25 H new ATOM 0 HG3 ARG A 72 35.587 -11.454 -13.809 1.00 63.25 H new ATOM 0 HD2 ARG A 72 33.631 -11.795 -15.656 1.00 31.10 H new ATOM 0 HD3 ARG A 72 34.702 -10.765 -16.584 1.00 31.10 H new ATOM 0 HE ARG A 72 35.130 -13.547 -15.911 1.00 53.13 H new ATOM 0 HH11 ARG A 72 36.774 -10.470 -16.451 1.00 62.12 H new ATOM 0 HH12 ARG A 72 38.283 -11.234 -16.961 1.00 62.12 H new ATOM 0 HH21 ARG A 72 37.073 -14.522 -16.566 1.00 54.21 H new ATOM 0 HH22 ARG A 72 38.452 -13.518 -17.026 1.00 54.21 H new ATOM 1142 N SER A 73 32.251 -8.324 -12.305 1.00 42.32 N ATOM 1143 CA SER A 73 31.524 -7.093 -12.016 1.00 31.43 C ATOM 1144 C SER A 73 31.591 -6.760 -10.528 1.00 52.14 C ATOM 1145 O SER A 73 30.985 -7.440 -9.701 1.00 22.12 O ATOM 1146 CB SER A 73 30.064 -7.223 -12.456 1.00 23.34 C ATOM 1147 OG SER A 73 29.940 -8.105 -13.558 1.00 24.53 O ATOM 0 H SER A 73 31.715 -9.018 -12.826 1.00 42.32 H new ATOM 0 HA SER A 73 31.993 -6.283 -12.574 1.00 31.43 H new ATOM 0 HB2 SER A 73 29.461 -7.588 -11.624 1.00 23.34 H new ATOM 0 HB3 SER A 73 29.673 -6.242 -12.726 1.00 23.34 H new ATOM 0 HG SER A 73 28.998 -8.172 -13.819 1.00 24.53 H new ATOM 1153 N ALA A 74 32.332 -5.708 -10.197 1.00 50.43 N ATOM 1154 CA ALA A 74 32.477 -5.281 -8.811 1.00 22.51 C ATOM 1155 C ALA A 74 31.118 -5.137 -8.136 1.00 33.45 C ATOM 1156 O ALA A 74 30.970 -5.431 -6.950 1.00 32.41 O ATOM 1157 CB ALA A 74 33.246 -3.970 -8.740 1.00 32.23 C ATOM 0 H ALA A 74 32.841 -5.135 -10.870 1.00 50.43 H new ATOM 0 HA ALA A 74 33.039 -6.048 -8.277 1.00 22.51 H new ATOM 0 HB1 ALA A 74 33.347 -3.663 -7.699 1.00 32.23 H new ATOM 0 HB2 ALA A 74 34.236 -4.105 -9.176 1.00 32.23 H new ATOM 0 HB3 ALA A 74 32.707 -3.202 -9.294 1.00 32.23 H new ATOM 1163 N GLU A 75 30.128 -4.683 -8.898 1.00 43.52 N ATOM 1164 CA GLU A 75 28.781 -4.498 -8.371 1.00 63.31 C ATOM 1165 C GLU A 75 27.780 -5.376 -9.118 1.00 3.45 C ATOM 1166 O GLU A 75 27.479 -5.136 -10.287 1.00 71.32 O ATOM 1167 CB GLU A 75 28.365 -3.029 -8.475 1.00 65.40 C ATOM 1168 CG GLU A 75 28.685 -2.400 -9.821 1.00 21.14 C ATOM 1169 CD GLU A 75 29.812 -1.389 -9.739 1.00 11.34 C ATOM 1170 OE1 GLU A 75 30.984 -1.795 -9.880 1.00 64.02 O ATOM 1171 OE2 GLU A 75 29.522 -0.192 -9.533 1.00 12.21 O ATOM 0 H GLU A 75 30.233 -4.437 -9.882 1.00 43.52 H new ATOM 0 HA GLU A 75 28.785 -4.793 -7.322 1.00 63.31 H new ATOM 0 HB2 GLU A 75 27.293 -2.950 -8.292 1.00 65.40 H new ATOM 0 HB3 GLU A 75 28.865 -2.462 -7.690 1.00 65.40 H new ATOM 0 HG2 GLU A 75 28.956 -3.183 -10.529 1.00 21.14 H new ATOM 0 HG3 GLU A 75 27.792 -1.912 -10.211 1.00 21.14 H new ATOM 1178 N CYS A 76 27.269 -6.393 -8.433 1.00 33.11 N ATOM 1179 CA CYS A 76 26.303 -7.308 -9.029 1.00 53.22 C ATOM 1180 C CYS A 76 24.928 -7.142 -8.387 1.00 43.22 C ATOM 1181 O CYS A 76 24.786 -7.231 -7.168 1.00 24.52 O ATOM 1182 CB CYS A 76 26.777 -8.754 -8.877 1.00 64.31 C ATOM 1183 SG CYS A 76 27.454 -9.479 -10.405 1.00 63.31 S ATOM 0 H CYS A 76 27.508 -6.604 -7.464 1.00 33.11 H new ATOM 0 HA CYS A 76 26.221 -7.069 -10.089 1.00 53.22 H new ATOM 0 HB2 CYS A 76 27.539 -8.795 -8.099 1.00 64.31 H new ATOM 0 HB3 CYS A 76 25.941 -9.365 -8.537 1.00 64.31 H new ATOM 1188 N SER A 77 23.919 -6.900 -9.217 1.00 51.44 N ATOM 1189 CA SER A 77 22.556 -6.717 -8.731 1.00 62.53 C ATOM 1190 C SER A 77 21.722 -7.972 -8.970 1.00 71.34 C ATOM 1191 O SER A 77 21.969 -8.724 -9.914 1.00 32.44 O ATOM 1192 CB SER A 77 21.903 -5.518 -9.420 1.00 14.21 C ATOM 1193 OG SER A 77 22.698 -4.354 -9.280 1.00 43.41 O ATOM 0 H SER A 77 24.019 -6.826 -10.229 1.00 51.44 H new ATOM 0 HA SER A 77 22.601 -6.530 -7.658 1.00 62.53 H new ATOM 0 HB2 SER A 77 21.757 -5.737 -10.478 1.00 14.21 H new ATOM 0 HB3 SER A 77 20.916 -5.342 -8.992 1.00 14.21 H new ATOM 0 HG SER A 77 23.275 -4.445 -8.493 1.00 43.41 H new ATOM 1199 N ILE A 78 20.734 -8.191 -8.109 1.00 52.14 N ATOM 1200 CA ILE A 78 19.862 -9.353 -8.227 1.00 21.22 C ATOM 1201 C ILE A 78 18.396 -8.958 -8.082 1.00 44.02 C ATOM 1202 O ILE A 78 18.046 -8.126 -7.245 1.00 2.13 O ATOM 1203 CB ILE A 78 20.201 -10.420 -7.169 1.00 61.33 C ATOM 1204 CG1 ILE A 78 21.667 -10.841 -7.289 1.00 44.33 C ATOM 1205 CG2 ILE A 78 19.285 -11.625 -7.320 1.00 71.43 C ATOM 1206 CD1 ILE A 78 22.570 -10.184 -6.268 1.00 72.11 C ATOM 0 H ILE A 78 20.517 -7.579 -7.322 1.00 52.14 H new ATOM 0 HA ILE A 78 20.026 -9.771 -9.220 1.00 21.22 H new ATOM 0 HB ILE A 78 20.045 -9.991 -6.179 1.00 61.33 H new ATOM 0 HG12 ILE A 78 21.736 -11.923 -7.180 1.00 44.33 H new ATOM 0 HG13 ILE A 78 22.026 -10.598 -8.289 1.00 44.33 H new ATOM 0 HG21 ILE A 78 19.537 -12.370 -6.565 1.00 71.43 H new ATOM 0 HG22 ILE A 78 18.249 -11.313 -7.190 1.00 71.43 H new ATOM 0 HG23 ILE A 78 19.412 -12.057 -8.313 1.00 71.43 H new ATOM 0 HD11 ILE A 78 23.594 -10.529 -6.412 1.00 72.11 H new ATOM 0 HD12 ILE A 78 22.531 -9.102 -6.391 1.00 72.11 H new ATOM 0 HD13 ILE A 78 22.237 -10.448 -5.264 1.00 72.11 H new ATOM 1218 N HIS A 79 17.543 -9.562 -8.903 1.00 54.41 N ATOM 1219 CA HIS A 79 16.113 -9.274 -8.865 1.00 61.53 C ATOM 1220 C HIS A 79 15.323 -10.504 -8.427 1.00 63.23 C ATOM 1221 O HIS A 79 15.650 -11.631 -8.803 1.00 52.11 O ATOM 1222 CB HIS A 79 15.629 -8.805 -10.238 1.00 22.53 C ATOM 1223 CG HIS A 79 16.515 -7.773 -10.865 1.00 22.53 C ATOM 1224 ND1 HIS A 79 17.108 -7.940 -12.098 1.00 42.15 N ATOM 1225 CD2 HIS A 79 16.907 -6.556 -10.422 1.00 13.30 C ATOM 1226 CE1 HIS A 79 17.827 -6.870 -12.387 1.00 4.13 C ATOM 1227 NE2 HIS A 79 17.722 -6.015 -11.386 1.00 14.42 N ATOM 0 H HIS A 79 17.816 -10.253 -9.602 1.00 54.41 H new ATOM 0 HA HIS A 79 15.947 -8.479 -8.138 1.00 61.53 H new ATOM 0 HB2 HIS A 79 15.560 -9.666 -10.903 1.00 22.53 H new ATOM 0 HB3 HIS A 79 14.623 -8.397 -10.140 1.00 22.53 H new ATOM 0 HD2 HIS A 79 16.630 -6.096 -9.485 1.00 13.30 H new ATOM 0 HE1 HIS A 79 18.403 -6.720 -13.288 1.00 4.13 H new ATOM 0 HE2 HIS A 79 18.173 -5.101 -11.337 1.00 14.42 H new ATOM 1235 N LEU A 80 14.284 -10.281 -7.631 1.00 1.15 N ATOM 1236 CA LEU A 80 13.448 -11.371 -7.140 1.00 74.04 C ATOM 1237 C LEU A 80 11.987 -10.940 -7.055 1.00 31.34 C ATOM 1238 O LEU A 80 11.686 -9.752 -6.944 1.00 22.30 O ATOM 1239 CB LEU A 80 13.935 -11.837 -5.767 1.00 44.24 C ATOM 1240 CG LEU A 80 13.113 -12.941 -5.102 1.00 64.33 C ATOM 1241 CD1 LEU A 80 14.006 -13.833 -4.253 1.00 12.22 C ATOM 1242 CD2 LEU A 80 11.998 -12.341 -4.259 1.00 33.50 C ATOM 0 H LEU A 80 14.000 -9.355 -7.311 1.00 1.15 H new ATOM 0 HA LEU A 80 13.524 -12.199 -7.845 1.00 74.04 H new ATOM 0 HB2 LEU A 80 14.962 -12.187 -5.868 1.00 44.24 H new ATOM 0 HB3 LEU A 80 13.956 -10.975 -5.100 1.00 44.24 H new ATOM 0 HG LEU A 80 12.661 -13.552 -5.883 1.00 64.33 H new ATOM 0 HD11 LEU A 80 13.404 -14.613 -3.787 1.00 12.22 H new ATOM 0 HD12 LEU A 80 14.768 -14.291 -4.884 1.00 12.22 H new ATOM 0 HD13 LEU A 80 14.487 -13.235 -3.479 1.00 12.22 H new ATOM 0 HD21 LEU A 80 11.423 -13.141 -3.793 1.00 33.50 H new ATOM 0 HD22 LEU A 80 12.429 -11.706 -3.485 1.00 33.50 H new ATOM 0 HD23 LEU A 80 11.342 -11.745 -4.894 1.00 33.50 H new ATOM 1254 N GLU A 81 11.084 -11.915 -7.104 1.00 50.33 N ATOM 1255 CA GLU A 81 9.655 -11.635 -7.031 1.00 33.34 C ATOM 1256 C GLU A 81 8.979 -12.525 -5.991 1.00 4.23 C ATOM 1257 O GLU A 81 8.997 -13.751 -6.101 1.00 1.15 O ATOM 1258 CB GLU A 81 9.001 -11.844 -8.398 1.00 55.51 C ATOM 1259 CG GLU A 81 9.060 -10.618 -9.294 1.00 63.14 C ATOM 1260 CD GLU A 81 8.569 -10.899 -10.701 1.00 35.51 C ATOM 1261 OE1 GLU A 81 7.338 -10.875 -10.914 1.00 62.44 O ATOM 1262 OE2 GLU A 81 9.413 -11.144 -11.588 1.00 0.15 O ATOM 0 H GLU A 81 11.317 -12.904 -7.194 1.00 50.33 H new ATOM 0 HA GLU A 81 9.530 -10.594 -6.731 1.00 33.34 H new ATOM 0 HB2 GLU A 81 9.491 -12.677 -8.903 1.00 55.51 H new ATOM 0 HB3 GLU A 81 7.959 -12.128 -8.253 1.00 55.51 H new ATOM 0 HG2 GLU A 81 8.458 -9.823 -8.855 1.00 63.14 H new ATOM 0 HG3 GLU A 81 10.086 -10.253 -9.337 1.00 63.14 H new ATOM 1269 N VAL A 82 8.385 -11.898 -4.981 1.00 13.33 N ATOM 1270 CA VAL A 82 7.703 -12.631 -3.921 1.00 12.12 C ATOM 1271 C VAL A 82 6.227 -12.825 -4.249 1.00 13.03 C ATOM 1272 O VAL A 82 5.444 -11.875 -4.218 1.00 33.11 O ATOM 1273 CB VAL A 82 7.826 -11.905 -2.568 1.00 32.43 C ATOM 1274 CG1 VAL A 82 7.514 -12.856 -1.422 1.00 13.32 C ATOM 1275 CG2 VAL A 82 9.214 -11.305 -2.410 1.00 45.30 C ATOM 0 H VAL A 82 8.362 -10.884 -4.874 1.00 13.33 H new ATOM 0 HA VAL A 82 8.187 -13.605 -3.848 1.00 12.12 H new ATOM 0 HB VAL A 82 7.099 -11.093 -2.543 1.00 32.43 H new ATOM 0 HG11 VAL A 82 7.606 -12.326 -0.474 1.00 13.32 H new ATOM 0 HG12 VAL A 82 6.497 -13.234 -1.529 1.00 13.32 H new ATOM 0 HG13 VAL A 82 8.215 -13.690 -1.441 1.00 13.32 H new ATOM 0 HG21 VAL A 82 9.283 -10.796 -1.449 1.00 45.30 H new ATOM 0 HG22 VAL A 82 9.960 -12.098 -2.455 1.00 45.30 H new ATOM 0 HG23 VAL A 82 9.395 -10.590 -3.213 1.00 45.30 H new ATOM 1285 N ILE A 83 5.853 -14.061 -4.562 1.00 65.10 N ATOM 1286 CA ILE A 83 4.471 -14.380 -4.894 1.00 55.01 C ATOM 1287 C ILE A 83 3.639 -14.598 -3.635 1.00 21.25 C ATOM 1288 O ILE A 83 3.933 -15.481 -2.829 1.00 30.52 O ATOM 1289 CB ILE A 83 4.380 -15.637 -5.780 1.00 14.42 C ATOM 1290 CG1 ILE A 83 5.449 -15.595 -6.873 1.00 61.01 C ATOM 1291 CG2 ILE A 83 2.992 -15.753 -6.393 1.00 20.22 C ATOM 1292 CD1 ILE A 83 6.694 -16.383 -6.531 1.00 3.45 C ATOM 0 H ILE A 83 6.489 -14.858 -4.592 1.00 65.10 H new ATOM 0 HA ILE A 83 4.075 -13.527 -5.445 1.00 55.01 H new ATOM 0 HB ILE A 83 4.556 -16.515 -5.159 1.00 14.42 H new ATOM 0 HG12 ILE A 83 5.026 -15.984 -7.799 1.00 61.01 H new ATOM 0 HG13 ILE A 83 5.725 -14.557 -7.060 1.00 61.01 H new ATOM 0 HG21 ILE A 83 2.943 -16.646 -7.016 1.00 20.22 H new ATOM 0 HG22 ILE A 83 2.248 -15.823 -5.599 1.00 20.22 H new ATOM 0 HG23 ILE A 83 2.789 -14.873 -7.003 1.00 20.22 H new ATOM 0 HD11 ILE A 83 7.408 -16.309 -7.351 1.00 3.45 H new ATOM 0 HD12 ILE A 83 7.141 -15.980 -5.622 1.00 3.45 H new ATOM 0 HD13 ILE A 83 6.431 -17.429 -6.373 1.00 3.45 H new ATOM 1304 N VAL A 84 2.598 -13.788 -3.472 1.00 33.23 N ATOM 1305 CA VAL A 84 1.721 -13.894 -2.312 1.00 32.23 C ATOM 1306 C VAL A 84 0.271 -14.103 -2.736 1.00 24.23 C ATOM 1307 O VAL A 84 -0.194 -13.506 -3.707 1.00 33.53 O ATOM 1308 CB VAL A 84 1.809 -12.638 -1.425 1.00 13.10 C ATOM 1309 CG1 VAL A 84 3.118 -12.621 -0.651 1.00 10.01 C ATOM 1310 CG2 VAL A 84 1.662 -11.380 -2.268 1.00 32.12 C ATOM 0 H VAL A 84 2.341 -13.051 -4.129 1.00 33.23 H new ATOM 0 HA VAL A 84 2.057 -14.758 -1.739 1.00 32.23 H new ATOM 0 HB VAL A 84 0.990 -12.664 -0.706 1.00 13.10 H new ATOM 0 HG11 VAL A 84 3.162 -11.726 -0.030 1.00 10.01 H new ATOM 0 HG12 VAL A 84 3.177 -13.506 -0.017 1.00 10.01 H new ATOM 0 HG13 VAL A 84 3.954 -12.619 -1.350 1.00 10.01 H new ATOM 0 HG21 VAL A 84 1.727 -10.502 -1.625 1.00 32.12 H new ATOM 0 HG22 VAL A 84 2.458 -11.345 -3.011 1.00 32.12 H new ATOM 0 HG23 VAL A 84 0.696 -11.391 -2.772 1.00 32.12 H new ATOM 1320 N ASP A 85 -0.437 -14.954 -2.001 1.00 51.34 N ATOM 1321 CA ASP A 85 -1.835 -15.241 -2.300 1.00 14.20 C ATOM 1322 C ASP A 85 -2.743 -14.743 -1.180 1.00 35.33 C ATOM 1323 O ASP A 85 -2.669 -15.223 -0.048 1.00 53.41 O ATOM 1324 CB ASP A 85 -2.037 -16.743 -2.508 1.00 2.35 C ATOM 1325 CG ASP A 85 -2.754 -17.057 -3.806 1.00 45.30 C ATOM 1326 OD1 ASP A 85 -2.109 -16.981 -4.873 1.00 61.52 O ATOM 1327 OD2 ASP A 85 -3.959 -17.379 -3.755 1.00 42.40 O ATOM 0 H ASP A 85 -0.066 -15.457 -1.195 1.00 51.34 H new ATOM 0 HA ASP A 85 -2.100 -14.717 -3.218 1.00 14.20 H new ATOM 0 HB2 ASP A 85 -1.067 -17.241 -2.502 1.00 2.35 H new ATOM 0 HB3 ASP A 85 -2.609 -17.149 -1.673 1.00 2.35 H new ATOM 1332 N ARG A 86 -3.599 -13.779 -1.503 1.00 1.24 N ATOM 1333 CA ARG A 86 -4.520 -13.215 -0.523 1.00 4.30 C ATOM 1334 C ARG A 86 -3.762 -12.444 0.554 1.00 20.13 C ATOM 1335 O ARG A 86 -3.492 -12.953 1.643 1.00 53.24 O ATOM 1336 CB ARG A 86 -5.356 -14.323 0.120 1.00 5.21 C ATOM 1337 CG ARG A 86 -6.815 -14.309 -0.305 1.00 21.14 C ATOM 1338 CD ARG A 86 -7.044 -15.169 -1.538 1.00 12.22 C ATOM 1339 NE ARG A 86 -8.462 -15.442 -1.759 1.00 2.13 N ATOM 1340 CZ ARG A 86 -8.940 -15.987 -2.871 1.00 74.42 C ATOM 1341 NH1 ARG A 86 -8.119 -16.317 -3.859 1.00 11.24 N ATOM 1342 NH2 ARG A 86 -10.243 -16.205 -2.998 1.00 33.04 N ATOM 0 H ARG A 86 -3.674 -13.372 -2.435 1.00 1.24 H new ATOM 0 HA ARG A 86 -5.184 -12.523 -1.041 1.00 4.30 H new ATOM 0 HB2 ARG A 86 -4.921 -15.289 -0.135 1.00 5.21 H new ATOM 0 HB3 ARG A 86 -5.301 -14.225 1.204 1.00 5.21 H new ATOM 0 HG2 ARG A 86 -7.437 -14.671 0.513 1.00 21.14 H new ATOM 0 HG3 ARG A 86 -7.125 -13.285 -0.512 1.00 21.14 H new ATOM 0 HD2 ARG A 86 -6.631 -14.666 -2.413 1.00 12.22 H new ATOM 0 HD3 ARG A 86 -6.506 -16.111 -1.428 1.00 12.22 H new ATOM 0 HE ARG A 86 -9.121 -15.201 -1.019 1.00 2.13 H new ATOM 0 HH11 ARG A 86 -7.117 -16.152 -3.766 1.00 11.24 H new ATOM 0 HH12 ARG A 86 -8.490 -16.736 -4.712 1.00 11.24 H new ATOM 0 HH21 ARG A 86 -10.878 -15.954 -2.241 1.00 33.04 H new ATOM 0 HH22 ARG A 86 -10.609 -16.624 -3.853 1.00 33.04 H new ATOM 1356 N PRO A 87 -3.409 -11.187 0.246 1.00 74.21 N ATOM 1357 CA PRO A 87 -3.724 -10.571 -1.047 1.00 34.35 C ATOM 1358 C PRO A 87 -2.922 -11.181 -2.191 1.00 22.45 C ATOM 1359 O PRO A 87 -1.841 -11.733 -1.979 1.00 60.21 O ATOM 1360 CB PRO A 87 -3.337 -9.104 -0.844 1.00 62.31 C ATOM 1361 CG PRO A 87 -2.303 -9.130 0.229 1.00 73.14 C ATOM 1362 CD PRO A 87 -2.675 -10.271 1.135 1.00 55.12 C ATOM 0 HA PRO A 87 -4.768 -10.716 -1.324 1.00 34.35 H new ATOM 0 HB2 PRO A 87 -2.944 -8.668 -1.762 1.00 62.31 H new ATOM 0 HB3 PRO A 87 -4.198 -8.504 -0.549 1.00 62.31 H new ATOM 0 HG2 PRO A 87 -1.308 -9.274 -0.192 1.00 73.14 H new ATOM 0 HG3 PRO A 87 -2.284 -8.187 0.776 1.00 73.14 H new ATOM 0 HD2 PRO A 87 -1.793 -10.748 1.564 1.00 55.12 H new ATOM 0 HD3 PRO A 87 -3.294 -9.937 1.968 1.00 55.12 H new ATOM 1370 N LEU A 88 -3.456 -11.079 -3.402 1.00 51.34 N ATOM 1371 CA LEU A 88 -2.789 -11.620 -4.581 1.00 62.32 C ATOM 1372 C LEU A 88 -1.967 -10.544 -5.284 1.00 75.44 C ATOM 1373 O LEU A 88 -2.520 -9.621 -5.882 1.00 65.11 O ATOM 1374 CB LEU A 88 -3.817 -12.207 -5.549 1.00 75.04 C ATOM 1375 CG LEU A 88 -3.282 -13.211 -6.570 1.00 63.34 C ATOM 1376 CD1 LEU A 88 -2.461 -14.289 -5.879 1.00 71.02 C ATOM 1377 CD2 LEU A 88 -4.426 -13.833 -7.358 1.00 43.54 C ATOM 0 H LEU A 88 -4.350 -10.626 -3.594 1.00 51.34 H new ATOM 0 HA LEU A 88 -2.114 -12.411 -4.255 1.00 62.32 H new ATOM 0 HB2 LEU A 88 -4.599 -12.694 -4.966 1.00 75.04 H new ATOM 0 HB3 LEU A 88 -4.288 -11.386 -6.089 1.00 75.04 H new ATOM 0 HG LEU A 88 -2.634 -12.680 -7.267 1.00 63.34 H new ATOM 0 HD11 LEU A 88 -2.088 -14.995 -6.622 1.00 71.02 H new ATOM 0 HD12 LEU A 88 -1.619 -13.829 -5.361 1.00 71.02 H new ATOM 0 HD13 LEU A 88 -3.086 -14.817 -5.159 1.00 71.02 H new ATOM 0 HD21 LEU A 88 -4.026 -14.545 -8.080 1.00 43.54 H new ATOM 0 HD22 LEU A 88 -5.100 -14.349 -6.675 1.00 43.54 H new ATOM 0 HD23 LEU A 88 -4.973 -13.051 -7.885 1.00 43.54 H new ATOM 1389 N GLN A 89 -0.647 -10.672 -5.210 1.00 24.31 N ATOM 1390 CA GLN A 89 0.250 -9.711 -5.841 1.00 22.30 C ATOM 1391 C GLN A 89 1.704 -10.149 -5.699 1.00 62.10 C ATOM 1392 O GLN A 89 1.989 -11.245 -5.217 1.00 21.34 O ATOM 1393 CB GLN A 89 0.060 -8.324 -5.225 1.00 64.01 C ATOM 1394 CG GLN A 89 0.352 -8.275 -3.734 1.00 60.20 C ATOM 1395 CD GLN A 89 0.941 -6.948 -3.298 1.00 32.24 C ATOM 1396 OE1 GLN A 89 2.042 -6.580 -3.707 1.00 24.14 O ATOM 1397 NE2 GLN A 89 0.208 -6.221 -2.462 1.00 72.15 N ATOM 0 H GLN A 89 -0.174 -11.431 -4.720 1.00 24.31 H new ATOM 0 HA GLN A 89 0.005 -9.666 -6.902 1.00 22.30 H new ATOM 0 HB2 GLN A 89 0.711 -7.616 -5.738 1.00 64.01 H new ATOM 0 HB3 GLN A 89 -0.965 -7.997 -5.397 1.00 64.01 H new ATOM 0 HG2 GLN A 89 -0.569 -8.458 -3.181 1.00 60.20 H new ATOM 0 HG3 GLN A 89 1.044 -9.077 -3.477 1.00 60.20 H new ATOM 0 HE21 GLN A 89 -0.700 -6.565 -2.148 1.00 72.15 H new ATOM 0 HE22 GLN A 89 0.553 -5.319 -2.134 1.00 72.15 H new ATOM 1406 N VAL A 90 2.621 -9.285 -6.123 1.00 23.22 N ATOM 1407 CA VAL A 90 4.046 -9.582 -6.042 1.00 65.22 C ATOM 1408 C VAL A 90 4.809 -8.442 -5.376 1.00 35.54 C ATOM 1409 O VAL A 90 4.405 -7.282 -5.454 1.00 11.01 O ATOM 1410 CB VAL A 90 4.646 -9.839 -7.438 1.00 21.15 C ATOM 1411 CG1 VAL A 90 6.071 -10.359 -7.319 1.00 52.43 C ATOM 1412 CG2 VAL A 90 3.778 -10.813 -8.219 1.00 33.40 C ATOM 0 H VAL A 90 2.402 -8.374 -6.526 1.00 23.22 H new ATOM 0 HA VAL A 90 4.147 -10.484 -5.439 1.00 65.22 H new ATOM 0 HB VAL A 90 4.673 -8.895 -7.982 1.00 21.15 H new ATOM 0 HG11 VAL A 90 6.478 -10.535 -8.315 1.00 52.43 H new ATOM 0 HG12 VAL A 90 6.685 -9.623 -6.800 1.00 52.43 H new ATOM 0 HG13 VAL A 90 6.072 -11.293 -6.757 1.00 52.43 H new ATOM 0 HG21 VAL A 90 4.216 -10.983 -9.202 1.00 33.40 H new ATOM 0 HG22 VAL A 90 3.717 -11.759 -7.680 1.00 33.40 H new ATOM 0 HG23 VAL A 90 2.777 -10.396 -8.335 1.00 33.40 H new ATOM 1422 N PHE A 91 5.914 -8.781 -4.720 1.00 14.14 N ATOM 1423 CA PHE A 91 6.733 -7.786 -4.038 1.00 42.22 C ATOM 1424 C PHE A 91 8.091 -7.641 -4.719 1.00 40.31 C ATOM 1425 O PHE A 91 8.832 -8.613 -4.865 1.00 22.41 O ATOM 1426 CB PHE A 91 6.925 -8.171 -2.570 1.00 0.12 C ATOM 1427 CG PHE A 91 5.642 -8.223 -1.791 1.00 53.02 C ATOM 1428 CD1 PHE A 91 4.776 -7.141 -1.784 1.00 72.23 C ATOM 1429 CD2 PHE A 91 5.301 -9.354 -1.067 1.00 12.33 C ATOM 1430 CE1 PHE A 91 3.595 -7.186 -1.068 1.00 33.40 C ATOM 1431 CE2 PHE A 91 4.121 -9.405 -0.349 1.00 12.22 C ATOM 1432 CZ PHE A 91 3.266 -8.320 -0.350 1.00 42.14 C ATOM 0 H PHE A 91 6.263 -9.737 -4.646 1.00 14.14 H new ATOM 0 HA PHE A 91 6.215 -6.828 -4.090 1.00 42.22 H new ATOM 0 HB2 PHE A 91 7.411 -9.145 -2.519 1.00 0.12 H new ATOM 0 HB3 PHE A 91 7.598 -7.454 -2.100 1.00 0.12 H new ATOM 0 HD1 PHE A 91 5.027 -6.253 -2.344 1.00 72.23 H new ATOM 0 HD2 PHE A 91 5.965 -10.206 -1.064 1.00 12.33 H new ATOM 0 HE1 PHE A 91 2.929 -6.335 -1.070 1.00 33.40 H new ATOM 0 HE2 PHE A 91 3.868 -10.292 0.212 1.00 12.22 H new ATOM 0 HZ PHE A 91 2.343 -8.358 0.209 1.00 42.14 H new ATOM 1442 N HIS A 92 8.410 -6.419 -5.135 1.00 63.21 N ATOM 1443 CA HIS A 92 9.679 -6.146 -5.801 1.00 52.31 C ATOM 1444 C HIS A 92 10.844 -6.279 -4.826 1.00 24.23 C ATOM 1445 O HIS A 92 10.970 -5.499 -3.882 1.00 0.22 O ATOM 1446 CB HIS A 92 9.667 -4.744 -6.411 1.00 11.42 C ATOM 1447 CG HIS A 92 9.956 -4.727 -7.880 1.00 60.03 C ATOM 1448 ND1 HIS A 92 11.235 -4.728 -8.396 1.00 11.22 N ATOM 1449 CD2 HIS A 92 9.122 -4.711 -8.946 1.00 43.05 C ATOM 1450 CE1 HIS A 92 11.175 -4.711 -9.715 1.00 64.14 C ATOM 1451 NE2 HIS A 92 9.905 -4.701 -10.075 1.00 75.10 N ATOM 0 H HIS A 92 7.808 -5.603 -5.023 1.00 63.21 H new ATOM 0 HA HIS A 92 9.809 -6.880 -6.597 1.00 52.31 H new ATOM 0 HB2 HIS A 92 8.692 -4.289 -6.236 1.00 11.42 H new ATOM 0 HB3 HIS A 92 10.404 -4.127 -5.897 1.00 11.42 H new ATOM 0 HD2 HIS A 92 8.042 -4.707 -8.915 1.00 43.05 H new ATOM 0 HE1 HIS A 92 12.022 -4.706 -10.386 1.00 64.14 H new ATOM 0 HE2 HIS A 92 9.561 -4.688 -11.035 1.00 75.10 H new ATOM 1459 N VAL A 93 11.695 -7.274 -5.060 1.00 12.23 N ATOM 1460 CA VAL A 93 12.850 -7.509 -4.202 1.00 63.43 C ATOM 1461 C VAL A 93 14.151 -7.402 -4.991 1.00 34.51 C ATOM 1462 O VAL A 93 14.302 -8.022 -6.043 1.00 51.34 O ATOM 1463 CB VAL A 93 12.780 -8.896 -3.534 1.00 42.55 C ATOM 1464 CG1 VAL A 93 14.046 -9.169 -2.737 1.00 44.11 C ATOM 1465 CG2 VAL A 93 11.549 -8.997 -2.647 1.00 30.21 C ATOM 0 H VAL A 93 11.606 -7.930 -5.836 1.00 12.23 H new ATOM 0 HA VAL A 93 12.832 -6.740 -3.429 1.00 63.43 H new ATOM 0 HB VAL A 93 12.701 -9.653 -4.314 1.00 42.55 H new ATOM 0 HG11 VAL A 93 13.978 -10.153 -2.272 1.00 44.11 H new ATOM 0 HG12 VAL A 93 14.908 -9.141 -3.403 1.00 44.11 H new ATOM 0 HG13 VAL A 93 14.160 -8.410 -1.963 1.00 44.11 H new ATOM 0 HG21 VAL A 93 11.515 -9.983 -2.183 1.00 30.21 H new ATOM 0 HG22 VAL A 93 11.595 -8.232 -1.872 1.00 30.21 H new ATOM 0 HG23 VAL A 93 10.653 -8.849 -3.250 1.00 30.21 H new ATOM 1475 N GLU A 94 15.087 -6.613 -4.474 1.00 12.12 N ATOM 1476 CA GLU A 94 16.375 -6.425 -5.131 1.00 30.03 C ATOM 1477 C GLU A 94 17.516 -6.493 -4.120 1.00 2.21 C ATOM 1478 O GLU A 94 17.658 -5.616 -3.267 1.00 70.31 O ATOM 1479 CB GLU A 94 16.408 -5.082 -5.864 1.00 34.41 C ATOM 1480 CG GLU A 94 15.471 -5.018 -7.058 1.00 73.45 C ATOM 1481 CD GLU A 94 15.809 -3.883 -8.005 1.00 62.21 C ATOM 1482 OE1 GLU A 94 16.562 -2.974 -7.597 1.00 73.12 O ATOM 1483 OE2 GLU A 94 15.321 -3.905 -9.155 1.00 1.44 O ATOM 0 H GLU A 94 14.978 -6.094 -3.603 1.00 12.12 H new ATOM 0 HA GLU A 94 16.505 -7.229 -5.855 1.00 30.03 H new ATOM 0 HB2 GLU A 94 16.146 -4.289 -5.164 1.00 34.41 H new ATOM 0 HB3 GLU A 94 17.426 -4.886 -6.201 1.00 34.41 H new ATOM 0 HG2 GLU A 94 15.514 -5.963 -7.600 1.00 73.45 H new ATOM 0 HG3 GLU A 94 14.447 -4.899 -6.705 1.00 73.45 H new ATOM 1490 N VAL A 95 18.328 -7.541 -4.222 1.00 13.33 N ATOM 1491 CA VAL A 95 19.457 -7.724 -3.318 1.00 11.12 C ATOM 1492 C VAL A 95 20.780 -7.484 -4.036 1.00 22.22 C ATOM 1493 O VAL A 95 21.022 -8.033 -5.110 1.00 43.23 O ATOM 1494 CB VAL A 95 19.465 -9.139 -2.709 1.00 13.31 C ATOM 1495 CG1 VAL A 95 18.242 -9.348 -1.829 1.00 74.32 C ATOM 1496 CG2 VAL A 95 19.529 -10.190 -3.806 1.00 72.14 C ATOM 0 H VAL A 95 18.225 -8.276 -4.922 1.00 13.33 H new ATOM 0 HA VAL A 95 19.343 -6.993 -2.518 1.00 11.12 H new ATOM 0 HB VAL A 95 20.353 -9.243 -2.086 1.00 13.31 H new ATOM 0 HG11 VAL A 95 18.265 -10.353 -1.407 1.00 74.32 H new ATOM 0 HG12 VAL A 95 18.245 -8.616 -1.022 1.00 74.32 H new ATOM 0 HG13 VAL A 95 17.339 -9.225 -2.426 1.00 74.32 H new ATOM 0 HG21 VAL A 95 19.534 -11.184 -3.358 1.00 72.14 H new ATOM 0 HG22 VAL A 95 18.661 -10.090 -4.457 1.00 72.14 H new ATOM 0 HG23 VAL A 95 20.439 -10.051 -4.390 1.00 72.14 H new ATOM 1506 N GLU A 96 21.633 -6.661 -3.434 1.00 23.30 N ATOM 1507 CA GLU A 96 22.933 -6.349 -4.017 1.00 53.12 C ATOM 1508 C GLU A 96 24.056 -7.030 -3.240 1.00 53.21 C ATOM 1509 O GLU A 96 23.912 -7.332 -2.055 1.00 74.15 O ATOM 1510 CB GLU A 96 23.157 -4.835 -4.038 1.00 32.42 C ATOM 1511 CG GLU A 96 22.863 -4.195 -5.384 1.00 13.11 C ATOM 1512 CD GLU A 96 24.109 -3.653 -6.057 1.00 31.30 C ATOM 1513 OE1 GLU A 96 24.654 -2.641 -5.569 1.00 33.03 O ATOM 1514 OE2 GLU A 96 24.539 -4.241 -7.071 1.00 50.23 O ATOM 0 H GLU A 96 21.448 -6.199 -2.544 1.00 23.30 H new ATOM 0 HA GLU A 96 22.943 -6.725 -5.040 1.00 53.12 H new ATOM 0 HB2 GLU A 96 22.526 -4.372 -3.279 1.00 32.42 H new ATOM 0 HB3 GLU A 96 24.191 -4.625 -3.763 1.00 32.42 H new ATOM 0 HG2 GLU A 96 22.393 -4.930 -6.037 1.00 13.11 H new ATOM 0 HG3 GLU A 96 22.146 -3.385 -5.248 1.00 13.11 H new ATOM 1521 N VAL A 97 25.175 -7.269 -3.916 1.00 51.04 N ATOM 1522 CA VAL A 97 26.323 -7.913 -3.291 1.00 24.43 C ATOM 1523 C VAL A 97 27.333 -6.882 -2.801 1.00 44.33 C ATOM 1524 O VAL A 97 27.742 -5.995 -3.551 1.00 4.44 O ATOM 1525 CB VAL A 97 27.024 -8.880 -4.264 1.00 51.10 C ATOM 1526 CG1 VAL A 97 26.234 -10.173 -4.394 1.00 33.22 C ATOM 1527 CG2 VAL A 97 27.213 -8.223 -5.623 1.00 3.42 C ATOM 0 H VAL A 97 25.311 -7.026 -4.897 1.00 51.04 H new ATOM 0 HA VAL A 97 25.943 -8.478 -2.440 1.00 24.43 H new ATOM 0 HB VAL A 97 28.008 -9.122 -3.862 1.00 51.10 H new ATOM 0 HG11 VAL A 97 26.745 -10.843 -5.085 1.00 33.22 H new ATOM 0 HG12 VAL A 97 26.155 -10.651 -3.417 1.00 33.22 H new ATOM 0 HG13 VAL A 97 25.236 -9.953 -4.773 1.00 33.22 H new ATOM 0 HG21 VAL A 97 27.710 -8.920 -6.298 1.00 3.42 H new ATOM 0 HG22 VAL A 97 26.241 -7.950 -6.034 1.00 3.42 H new ATOM 0 HG23 VAL A 97 27.824 -7.327 -5.512 1.00 3.42 H new ATOM 1537 N ARG A 98 27.732 -7.004 -1.540 1.00 22.35 N ATOM 1538 CA ARG A 98 28.694 -6.082 -0.949 1.00 45.33 C ATOM 1539 C ARG A 98 30.061 -6.744 -0.799 1.00 40.23 C ATOM 1540 O ARG A 98 30.224 -7.685 -0.022 1.00 40.24 O ATOM 1541 CB ARG A 98 28.198 -5.597 0.414 1.00 22.12 C ATOM 1542 CG ARG A 98 28.890 -4.334 0.900 1.00 11.13 C ATOM 1543 CD ARG A 98 29.517 -4.535 2.271 1.00 44.41 C ATOM 1544 NE ARG A 98 29.788 -3.265 2.940 1.00 33.14 N ATOM 1545 CZ ARG A 98 30.555 -3.152 4.019 1.00 53.20 C ATOM 1546 NH1 ARG A 98 31.125 -4.226 4.547 1.00 33.10 N ATOM 1547 NH2 ARG A 98 30.753 -1.962 4.571 1.00 2.33 N ATOM 0 H ARG A 98 27.404 -7.733 -0.907 1.00 22.35 H new ATOM 0 HA ARG A 98 28.795 -5.226 -1.616 1.00 45.33 H new ATOM 0 HB2 ARG A 98 27.125 -5.414 0.357 1.00 22.12 H new ATOM 0 HB3 ARG A 98 28.348 -6.389 1.148 1.00 22.12 H new ATOM 0 HG2 ARG A 98 29.660 -4.042 0.186 1.00 11.13 H new ATOM 0 HG3 ARG A 98 28.170 -3.517 0.944 1.00 11.13 H new ATOM 0 HD2 ARG A 98 28.851 -5.136 2.890 1.00 44.41 H new ATOM 0 HD3 ARG A 98 30.446 -5.095 2.166 1.00 44.41 H new ATOM 0 HE ARG A 98 29.365 -2.419 2.558 1.00 33.14 H new ATOM 0 HH11 ARG A 98 30.975 -5.142 4.125 1.00 33.10 H new ATOM 0 HH12 ARG A 98 31.713 -4.136 5.375 1.00 33.10 H new ATOM 0 HH21 ARG A 98 30.316 -1.133 4.167 1.00 2.33 H new ATOM 0 HH22 ARG A 98 31.342 -1.876 5.399 1.00 2.33 H new ATOM 1561 N ASP A 99 31.039 -6.246 -1.548 1.00 70.20 N ATOM 1562 CA ASP A 99 32.392 -6.789 -1.498 1.00 53.33 C ATOM 1563 C ASP A 99 33.314 -6.038 -2.455 1.00 34.45 C ATOM 1564 O ASP A 99 32.945 -4.997 -2.999 1.00 33.23 O ATOM 1565 CB ASP A 99 32.380 -8.278 -1.845 1.00 72.31 C ATOM 1566 CG ASP A 99 33.229 -9.100 -0.896 1.00 64.40 C ATOM 1567 OD1 ASP A 99 32.778 -9.346 0.242 1.00 62.10 O ATOM 1568 OD2 ASP A 99 34.346 -9.498 -1.291 1.00 52.50 O ATOM 0 H ASP A 99 30.920 -5.468 -2.197 1.00 70.20 H new ATOM 0 HA ASP A 99 32.770 -6.664 -0.484 1.00 53.33 H new ATOM 0 HB2 ASP A 99 31.354 -8.645 -1.821 1.00 72.31 H new ATOM 0 HB3 ASP A 99 32.744 -8.414 -2.864 1.00 72.31 H new ATOM 1573 N ILE A 100 34.513 -6.573 -2.653 1.00 64.53 N ATOM 1574 CA ILE A 100 35.487 -5.954 -3.544 1.00 24.45 C ATOM 1575 C ILE A 100 36.109 -6.985 -4.480 1.00 4.12 C ATOM 1576 O ILE A 100 36.126 -8.178 -4.182 1.00 65.31 O ATOM 1577 CB ILE A 100 36.608 -5.254 -2.752 1.00 51.13 C ATOM 1578 CG1 ILE A 100 37.328 -6.257 -1.849 1.00 62.22 C ATOM 1579 CG2 ILE A 100 36.039 -4.107 -1.931 1.00 13.03 C ATOM 1580 CD1 ILE A 100 36.681 -6.422 -0.492 1.00 74.12 C ATOM 0 H ILE A 100 34.834 -7.433 -2.209 1.00 64.53 H new ATOM 0 HA ILE A 100 34.949 -5.210 -4.132 1.00 24.45 H new ATOM 0 HB ILE A 100 37.331 -4.846 -3.458 1.00 51.13 H new ATOM 0 HG12 ILE A 100 37.359 -7.226 -2.348 1.00 62.22 H new ATOM 0 HG13 ILE A 100 38.361 -5.935 -1.713 1.00 62.22 H new ATOM 0 HG21 ILE A 100 36.843 -3.622 -1.377 1.00 13.03 H new ATOM 0 HG22 ILE A 100 35.568 -3.383 -2.595 1.00 13.03 H new ATOM 0 HG23 ILE A 100 35.298 -4.493 -1.231 1.00 13.03 H new ATOM 0 HD11 ILE A 100 37.245 -7.148 0.094 1.00 74.12 H new ATOM 0 HD12 ILE A 100 36.674 -5.463 0.027 1.00 74.12 H new ATOM 0 HD13 ILE A 100 35.657 -6.774 -0.618 1.00 74.12 H new