USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 972 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 HIS : no HD1:sc= -3.5 K(o=-3.5,f=-6.5) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 51 CYS SG : rot 160:sc= 1.24 USER MOD Set 2.2: A 53 CYS SG : rot 57:sc= 0.476 USER MOD Set 2.3: A 111 CYS SG : rot 139:sc= -1.06 USER MOD Set 2.4: A 113 HIS : no HD1:sc= -1.03 K(o=-0.38,f=-7.4!) USER MOD Set 3.1: A 20 THR OG1 : rot -81:sc= 0.451 USER MOD Set 3.2: A 36 GLN : amide:sc= -4.59! C(o=-4.1!,f=-6.3!) USER MOD Single : A 8 HIS : no HD1:sc= -0.624 K(o=-0.62,f=-3.1) USER MOD Single : A 9 THR OG1 : rot 175:sc= 0.0486 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 123:sc= 0.00406 USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= -0.568 (180deg=-1.66) USER MOD Single : A 16 ASN : amide:sc= -2.21 K(o=-2.2,f=-5.8!) USER MOD Single : A 18 HIS : no HD1:sc= -1.05 K(o=-1,f=-3) USER MOD Single : A 21 THR OG1 : rot -59:sc= 0.954 USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 25 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.052) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.173 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 47 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.5) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 46:sc= 0.181 USER MOD Single : A 57 CYS SG : rot -28:sc= 1.11 USER MOD Single : A 58 TYR OH : rot -149:sc= 1.16 USER MOD Single : A 59 TYR OH : rot -36:sc= 1 USER MOD Single : A 60 SER OG : rot -34:sc= -1 USER MOD Single : A 62 SER OG : rot 30:sc= -0.383 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.513 USER MOD Single : A 71 CYS SG : rot 156:sc= -0.0034 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 83 GLN : amide:sc=-0.00154 X(o=-0.0015,f=-0.24) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -48:sc= -0.0461 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.049 X(o=-0.049,f=-0.1) USER MOD Single : A 90 GLN : amide:sc= -0.0889 X(o=-0.089,f=-0.38) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.886 K(o=-0.89,f=-1.4) USER MOD Single : A 100 CYS SG : rot -160:sc= -0.856 USER MOD Single : A 108 LYS NZ :NH3+ 174:sc= -0.895 (180deg=-1.05) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 HIS : no HE2:sc= 0.674 K(o=0.67,f=-2.4!) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 TYR OH : rot 59:sc= -1.45 USER MOD Single : A 136 ASN : amide:sc= -2.59 K(o=-2.6,f=-1.8) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N PHE A 6 13.677 -9.034 -1.307 1.00 32.54 N ATOM 65 CA PHE A 6 15.016 -9.580 -1.120 1.00 21.41 C ATOM 66 C PHE A 6 15.854 -8.672 -0.224 1.00 73.14 C ATOM 67 O PHE A 6 15.565 -7.484 -0.083 1.00 11.25 O ATOM 68 CB PHE A 6 15.709 -9.762 -2.472 1.00 51.10 C ATOM 69 CG PHE A 6 15.726 -8.515 -3.309 1.00 2.10 C ATOM 70 CD1 PHE A 6 14.643 -8.186 -4.108 1.00 11.55 C ATOM 71 CD2 PHE A 6 16.826 -7.672 -3.298 1.00 21.35 C ATOM 72 CE1 PHE A 6 14.655 -7.038 -4.879 1.00 24.53 C ATOM 73 CE2 PHE A 6 16.844 -6.524 -4.066 1.00 41.22 C ATOM 74 CZ PHE A 6 15.758 -6.207 -4.859 1.00 30.14 C ATOM 0 HA PHE A 6 14.920 -10.551 -0.635 1.00 21.41 H new ATOM 0 HB2 PHE A 6 16.734 -10.092 -2.304 1.00 51.10 H new ATOM 0 HB3 PHE A 6 15.206 -10.555 -3.026 1.00 51.10 H new ATOM 0 HD1 PHE A 6 13.779 -8.834 -4.129 1.00 11.55 H new ATOM 0 HD2 PHE A 6 17.679 -7.915 -2.682 1.00 21.35 H new ATOM 0 HE1 PHE A 6 13.803 -6.792 -5.496 1.00 24.53 H new ATOM 0 HE2 PHE A 6 17.707 -5.875 -4.047 1.00 41.22 H new ATOM 0 HZ PHE A 6 15.772 -5.311 -5.462 1.00 30.14 H new ATOM 84 N VAL A 7 16.893 -9.241 0.379 1.00 51.24 N ATOM 85 CA VAL A 7 17.774 -8.484 1.260 1.00 14.31 C ATOM 86 C VAL A 7 19.167 -8.344 0.657 1.00 30.44 C ATOM 87 O VAL A 7 19.603 -9.187 -0.128 1.00 31.35 O ATOM 88 CB VAL A 7 17.889 -9.149 2.644 1.00 21.14 C ATOM 89 CG1 VAL A 7 18.644 -10.466 2.543 1.00 43.41 C ATOM 90 CG2 VAL A 7 18.567 -8.211 3.631 1.00 2.32 C ATOM 0 H VAL A 7 17.145 -10.224 0.273 1.00 51.24 H new ATOM 0 HA VAL A 7 17.332 -7.495 1.376 1.00 14.31 H new ATOM 0 HB VAL A 7 16.885 -9.361 3.010 1.00 21.14 H new ATOM 0 HG11 VAL A 7 18.715 -10.921 3.531 1.00 43.41 H new ATOM 0 HG12 VAL A 7 18.113 -11.139 1.871 1.00 43.41 H new ATOM 0 HG13 VAL A 7 19.646 -10.282 2.155 1.00 43.41 H new ATOM 0 HG21 VAL A 7 18.640 -8.697 4.604 1.00 2.32 H new ATOM 0 HG22 VAL A 7 19.567 -7.966 3.272 1.00 2.32 H new ATOM 0 HG23 VAL A 7 17.981 -7.297 3.725 1.00 2.32 H new ATOM 100 N HIS A 8 19.863 -7.275 1.030 1.00 53.30 N ATOM 101 CA HIS A 8 21.209 -7.025 0.527 1.00 52.12 C ATOM 102 C HIS A 8 22.143 -6.608 1.659 1.00 62.14 C ATOM 103 O HIS A 8 22.047 -5.497 2.180 1.00 4.43 O ATOM 104 CB HIS A 8 21.180 -5.941 -0.552 1.00 21.54 C ATOM 105 CG HIS A 8 20.240 -4.817 -0.246 1.00 13.44 C ATOM 106 ND1 HIS A 8 20.574 -3.758 0.572 1.00 13.21 N ATOM 107 CD2 HIS A 8 18.970 -4.588 -0.655 1.00 32.24 C ATOM 108 CE1 HIS A 8 19.549 -2.928 0.654 1.00 3.33 C ATOM 109 NE2 HIS A 8 18.563 -3.408 -0.081 1.00 64.44 N ATOM 0 H HIS A 8 19.517 -6.568 1.679 1.00 53.30 H new ATOM 0 HA HIS A 8 21.585 -7.951 0.091 1.00 52.12 H new ATOM 0 HB2 HIS A 8 22.185 -5.539 -0.679 1.00 21.54 H new ATOM 0 HB3 HIS A 8 20.896 -6.393 -1.502 1.00 21.54 H new ATOM 0 HD2 HIS A 8 18.385 -5.216 -1.311 1.00 32.24 H new ATOM 0 HE1 HIS A 8 19.522 -2.012 1.226 1.00 3.33 H new ATOM 0 HE2 HIS A 8 17.648 -2.974 -0.203 1.00 64.44 H new ATOM 117 N THR A 9 23.047 -7.507 2.035 1.00 20.51 N ATOM 118 CA THR A 9 23.997 -7.234 3.106 1.00 61.21 C ATOM 119 C THR A 9 25.324 -6.731 2.549 1.00 52.02 C ATOM 120 O THR A 9 26.112 -7.504 2.006 1.00 61.21 O ATOM 121 CB THR A 9 24.255 -8.489 3.961 1.00 5.25 C ATOM 122 OG1 THR A 9 24.179 -9.663 3.145 1.00 15.22 O ATOM 123 CG2 THR A 9 23.247 -8.587 5.096 1.00 21.03 C ATOM 0 H THR A 9 23.141 -8.431 1.613 1.00 20.51 H new ATOM 0 HA THR A 9 23.553 -6.461 3.733 1.00 61.21 H new ATOM 0 HB THR A 9 25.254 -8.410 4.390 1.00 5.25 H new ATOM 0 HG1 THR A 9 24.416 -10.449 3.680 1.00 15.22 H new ATOM 0 HG21 THR A 9 23.449 -9.481 5.686 1.00 21.03 H new ATOM 0 HG22 THR A 9 23.329 -7.706 5.733 1.00 21.03 H new ATOM 0 HG23 THR A 9 22.240 -8.644 4.684 1.00 21.03 H new ATOM 131 N GLU A 10 25.564 -5.431 2.688 1.00 53.24 N ATOM 132 CA GLU A 10 26.796 -4.826 2.197 1.00 3.51 C ATOM 133 C GLU A 10 26.854 -4.868 0.673 1.00 41.23 C ATOM 134 O GLU A 10 26.643 -3.855 0.006 1.00 62.32 O ATOM 135 CB GLU A 10 28.013 -5.544 2.785 1.00 74.34 C ATOM 136 CG GLU A 10 27.785 -6.077 4.189 1.00 31.41 C ATOM 137 CD GLU A 10 29.077 -6.256 4.962 1.00 62.10 C ATOM 138 OE1 GLU A 10 30.111 -6.558 4.329 1.00 14.25 O ATOM 139 OE2 GLU A 10 29.054 -6.094 6.200 1.00 5.41 O ATOM 0 H GLU A 10 24.922 -4.777 3.136 1.00 53.24 H new ATOM 0 HA GLU A 10 26.810 -3.783 2.515 1.00 3.51 H new ATOM 0 HB2 GLU A 10 28.287 -6.372 2.131 1.00 74.34 H new ATOM 0 HB3 GLU A 10 28.858 -4.856 2.799 1.00 74.34 H new ATOM 0 HG2 GLU A 10 27.133 -5.393 4.732 1.00 31.41 H new ATOM 0 HG3 GLU A 10 27.265 -7.033 4.131 1.00 31.41 H new ATOM 146 N GLN A 11 27.142 -6.046 0.130 1.00 72.32 N ATOM 147 CA GLN A 11 27.229 -6.220 -1.315 1.00 73.33 C ATOM 148 C GLN A 11 26.764 -7.614 -1.725 1.00 13.13 C ATOM 149 O GLN A 11 26.970 -8.039 -2.861 1.00 43.20 O ATOM 150 CB GLN A 11 28.663 -5.988 -1.793 1.00 1.52 C ATOM 151 CG GLN A 11 28.762 -5.612 -3.263 1.00 14.35 C ATOM 152 CD GLN A 11 30.190 -5.610 -3.770 1.00 1.10 C ATOM 153 OE1 GLN A 11 30.676 -6.613 -4.293 1.00 44.24 O ATOM 154 NE2 GLN A 11 30.871 -4.480 -3.618 1.00 23.22 N ATOM 0 H GLN A 11 27.319 -6.894 0.669 1.00 72.32 H new ATOM 0 HA GLN A 11 26.574 -5.485 -1.783 1.00 73.33 H new ATOM 0 HB2 GLN A 11 29.113 -5.197 -1.193 1.00 1.52 H new ATOM 0 HB3 GLN A 11 29.246 -6.892 -1.618 1.00 1.52 H new ATOM 0 HG2 GLN A 11 28.172 -6.313 -3.854 1.00 14.35 H new ATOM 0 HG3 GLN A 11 28.326 -4.624 -3.411 1.00 14.35 H new ATOM 0 HE21 GLN A 11 30.428 -3.673 -3.179 1.00 23.22 H new ATOM 0 HE22 GLN A 11 31.837 -4.419 -3.941 1.00 23.22 H new ATOM 163 N ALA A 12 26.135 -8.321 -0.791 1.00 43.30 N ATOM 164 CA ALA A 12 25.640 -9.666 -1.055 1.00 54.35 C ATOM 165 C ALA A 12 24.127 -9.738 -0.879 1.00 53.20 C ATOM 166 O ALA A 12 23.604 -9.449 0.198 1.00 73.12 O ATOM 167 CB ALA A 12 26.328 -10.671 -0.144 1.00 12.45 C ATOM 0 H ALA A 12 25.957 -7.984 0.155 1.00 43.30 H new ATOM 0 HA ALA A 12 25.872 -9.915 -2.091 1.00 54.35 H new ATOM 0 HB1 ALA A 12 25.948 -11.671 -0.353 1.00 12.45 H new ATOM 0 HB2 ALA A 12 27.403 -10.647 -0.322 1.00 12.45 H new ATOM 0 HB3 ALA A 12 26.127 -10.416 0.897 1.00 12.45 H new ATOM 173 N ILE A 13 23.429 -10.124 -1.942 1.00 44.42 N ATOM 174 CA ILE A 13 21.976 -10.234 -1.904 1.00 5.45 C ATOM 175 C ILE A 13 21.542 -11.647 -1.530 1.00 11.31 C ATOM 176 O ILE A 13 21.801 -12.601 -2.263 1.00 73.32 O ATOM 177 CB ILE A 13 21.347 -9.856 -3.258 1.00 21.15 C ATOM 178 CG1 ILE A 13 21.195 -8.338 -3.368 1.00 43.44 C ATOM 179 CG2 ILE A 13 20.000 -10.542 -3.425 1.00 34.21 C ATOM 180 CD1 ILE A 13 22.503 -7.589 -3.240 1.00 42.43 C ATOM 0 H ILE A 13 23.847 -10.366 -2.841 1.00 44.42 H new ATOM 0 HA ILE A 13 21.626 -9.536 -1.144 1.00 5.45 H new ATOM 0 HB ILE A 13 22.007 -10.195 -4.056 1.00 21.15 H new ATOM 0 HG12 ILE A 13 20.739 -8.095 -4.328 1.00 43.44 H new ATOM 0 HG13 ILE A 13 20.510 -7.992 -2.593 1.00 43.44 H new ATOM 0 HG21 ILE A 13 19.568 -10.265 -4.387 1.00 34.21 H new ATOM 0 HG22 ILE A 13 20.135 -11.623 -3.385 1.00 34.21 H new ATOM 0 HG23 ILE A 13 19.331 -10.230 -2.623 1.00 34.21 H new ATOM 0 HD11 ILE A 13 22.319 -6.518 -3.328 1.00 42.43 H new ATOM 0 HD12 ILE A 13 22.951 -7.802 -2.269 1.00 42.43 H new ATOM 0 HD13 ILE A 13 23.183 -7.906 -4.031 1.00 42.43 H new ATOM 192 N TYR A 14 20.879 -11.773 -0.386 1.00 14.50 N ATOM 193 CA TYR A 14 20.408 -13.069 0.086 1.00 71.31 C ATOM 194 C TYR A 14 18.917 -13.241 -0.190 1.00 23.20 C ATOM 195 O TYR A 14 18.089 -12.481 0.312 1.00 73.22 O ATOM 196 CB TYR A 14 20.682 -13.221 1.583 1.00 14.22 C ATOM 197 CG TYR A 14 22.131 -13.503 1.908 1.00 0.34 C ATOM 198 CD1 TYR A 14 23.079 -12.487 1.885 1.00 51.14 C ATOM 199 CD2 TYR A 14 22.553 -14.785 2.238 1.00 0.33 C ATOM 200 CE1 TYR A 14 24.404 -12.740 2.180 1.00 5.23 C ATOM 201 CE2 TYR A 14 23.876 -15.046 2.537 1.00 61.42 C ATOM 202 CZ TYR A 14 24.798 -14.021 2.506 1.00 0.12 C ATOM 203 OH TYR A 14 26.117 -14.278 2.802 1.00 42.15 O ATOM 0 H TYR A 14 20.656 -10.993 0.232 1.00 14.50 H new ATOM 0 HA TYR A 14 20.951 -13.843 -0.456 1.00 71.31 H new ATOM 0 HB2 TYR A 14 20.375 -12.309 2.094 1.00 14.22 H new ATOM 0 HB3 TYR A 14 20.066 -14.030 1.976 1.00 14.22 H new ATOM 0 HD1 TYR A 14 22.774 -11.482 1.632 1.00 51.14 H new ATOM 0 HD2 TYR A 14 21.834 -15.591 2.261 1.00 0.33 H new ATOM 0 HE1 TYR A 14 25.128 -11.939 2.156 1.00 5.23 H new ATOM 0 HE2 TYR A 14 24.187 -16.048 2.794 1.00 61.42 H new ATOM 0 HH TYR A 14 26.181 -14.670 3.698 1.00 42.15 H new ATOM 213 N LYS A 15 18.583 -14.247 -0.992 1.00 11.34 N ATOM 214 CA LYS A 15 17.193 -14.523 -1.335 1.00 12.53 C ATOM 215 C LYS A 15 17.004 -15.991 -1.700 1.00 72.33 C ATOM 216 O LYS A 15 17.969 -16.698 -1.988 1.00 53.24 O ATOM 217 CB LYS A 15 16.748 -13.635 -2.499 1.00 53.31 C ATOM 218 CG LYS A 15 17.770 -13.541 -3.618 1.00 62.43 C ATOM 219 CD LYS A 15 17.349 -12.535 -4.676 1.00 73.42 C ATOM 220 CE LYS A 15 18.067 -12.779 -5.994 1.00 43.35 C ATOM 221 NZ LYS A 15 18.964 -11.646 -6.355 1.00 1.23 N ATOM 0 H LYS A 15 19.256 -14.885 -1.417 1.00 11.34 H new ATOM 0 HA LYS A 15 16.578 -14.302 -0.462 1.00 12.53 H new ATOM 0 HB2 LYS A 15 15.813 -14.023 -2.904 1.00 53.31 H new ATOM 0 HB3 LYS A 15 16.541 -12.633 -2.122 1.00 53.31 H new ATOM 0 HG2 LYS A 15 18.737 -13.253 -3.205 1.00 62.43 H new ATOM 0 HG3 LYS A 15 17.899 -14.521 -4.077 1.00 62.43 H new ATOM 0 HD2 LYS A 15 16.272 -12.597 -4.830 1.00 73.42 H new ATOM 0 HD3 LYS A 15 17.563 -11.525 -4.325 1.00 73.42 H new ATOM 0 HE2 LYS A 15 18.651 -13.697 -5.925 1.00 43.35 H new ATOM 0 HE3 LYS A 15 17.333 -12.927 -6.786 1.00 43.35 H new ATOM 0 HZ1 LYS A 15 19.153 -11.665 -7.377 1.00 1.23 H new ATOM 0 HZ2 LYS A 15 18.505 -10.747 -6.105 1.00 1.23 H new ATOM 0 HZ3 LYS A 15 19.861 -11.734 -5.835 1.00 1.23 H new ATOM 235 N ASN A 16 15.754 -16.443 -1.688 1.00 20.43 N ATOM 236 CA ASN A 16 15.439 -17.828 -2.019 1.00 71.31 C ATOM 237 C ASN A 16 15.816 -18.141 -3.464 1.00 73.20 C ATOM 238 O ASN A 16 15.354 -17.480 -4.394 1.00 34.43 O ATOM 239 CB ASN A 16 13.950 -18.101 -1.798 1.00 72.30 C ATOM 240 CG ASN A 16 13.595 -18.214 -0.328 1.00 54.20 C ATOM 241 OD1 ASN A 16 12.676 -17.550 0.153 1.00 40.03 O ATOM 242 ND2 ASN A 16 14.323 -19.057 0.394 1.00 64.34 N ATOM 0 H ASN A 16 14.943 -15.871 -1.453 1.00 20.43 H new ATOM 0 HA ASN A 16 16.021 -18.474 -1.362 1.00 71.31 H new ATOM 0 HB2 ASN A 16 13.365 -17.299 -2.250 1.00 72.30 H new ATOM 0 HB3 ASN A 16 13.673 -19.024 -2.308 1.00 72.30 H new ATOM 0 HD21 ASN A 16 14.130 -19.175 1.389 1.00 64.34 H new ATOM 0 HD22 ASN A 16 15.075 -19.587 -0.046 1.00 64.34 H new ATOM 249 N ALA A 17 16.658 -19.154 -3.644 1.00 55.33 N ATOM 250 CA ALA A 17 17.094 -19.556 -4.975 1.00 64.24 C ATOM 251 C ALA A 17 15.932 -20.115 -5.789 1.00 21.41 C ATOM 252 O ALA A 17 15.896 -19.981 -7.012 1.00 50.34 O ATOM 253 CB ALA A 17 18.213 -20.582 -4.876 1.00 24.32 C ATOM 0 H ALA A 17 17.051 -19.710 -2.885 1.00 55.33 H new ATOM 0 HA ALA A 17 17.471 -18.672 -5.489 1.00 64.24 H new ATOM 0 HB1 ALA A 17 18.529 -20.873 -5.878 1.00 24.32 H new ATOM 0 HB2 ALA A 17 19.058 -20.149 -4.341 1.00 24.32 H new ATOM 0 HB3 ALA A 17 17.855 -21.460 -4.339 1.00 24.32 H new ATOM 259 N HIS A 18 14.983 -20.744 -5.102 1.00 64.11 N ATOM 260 CA HIS A 18 13.819 -21.324 -5.762 1.00 21.32 C ATOM 261 C HIS A 18 12.859 -20.234 -6.228 1.00 45.34 C ATOM 262 O HIS A 18 12.108 -20.421 -7.186 1.00 61.52 O ATOM 263 CB HIS A 18 13.097 -22.285 -4.817 1.00 20.03 C ATOM 264 CG HIS A 18 12.529 -21.617 -3.602 1.00 43.04 C ATOM 265 ND1 HIS A 18 11.412 -20.810 -3.640 1.00 74.35 N ATOM 266 CD2 HIS A 18 12.930 -21.641 -2.310 1.00 3.12 C ATOM 267 CE1 HIS A 18 11.151 -20.365 -2.424 1.00 72.52 C ATOM 268 NE2 HIS A 18 12.057 -20.855 -1.598 1.00 64.40 N ATOM 0 H HIS A 18 14.998 -20.865 -4.089 1.00 64.11 H new ATOM 0 HA HIS A 18 14.165 -21.876 -6.636 1.00 21.32 H new ATOM 0 HB2 HIS A 18 12.291 -22.779 -5.360 1.00 20.03 H new ATOM 0 HB3 HIS A 18 13.793 -23.063 -4.502 1.00 20.03 H new ATOM 0 HD2 HIS A 18 13.778 -22.178 -1.913 1.00 3.12 H new ATOM 0 HE1 HIS A 18 10.335 -19.712 -2.152 1.00 72.52 H new ATOM 0 HE2 HIS A 18 12.101 -20.679 -0.594 1.00 64.40 H new ATOM 276 N LEU A 19 12.889 -19.095 -5.545 1.00 42.35 N ATOM 277 CA LEU A 19 12.021 -17.974 -5.889 1.00 44.44 C ATOM 278 C LEU A 19 12.727 -17.010 -6.838 1.00 72.14 C ATOM 279 O LEU A 19 12.110 -16.092 -7.381 1.00 24.21 O ATOM 280 CB LEU A 19 11.586 -17.233 -4.624 1.00 31.24 C ATOM 281 CG LEU A 19 10.080 -17.178 -4.363 1.00 23.45 C ATOM 282 CD1 LEU A 19 9.798 -16.609 -2.981 1.00 5.50 C ATOM 283 CD2 LEU A 19 9.383 -16.353 -5.434 1.00 71.42 C ATOM 0 H LEU A 19 13.505 -18.923 -4.750 1.00 42.35 H new ATOM 0 HA LEU A 19 11.139 -18.371 -6.392 1.00 44.44 H new ATOM 0 HB2 LEU A 19 12.066 -17.705 -3.767 1.00 31.24 H new ATOM 0 HB3 LEU A 19 11.963 -16.212 -4.677 1.00 31.24 H new ATOM 0 HG LEU A 19 9.687 -18.194 -4.402 1.00 23.45 H new ATOM 0 HD11 LEU A 19 8.721 -16.578 -2.813 1.00 5.50 H new ATOM 0 HD12 LEU A 19 10.265 -17.241 -2.225 1.00 5.50 H new ATOM 0 HD13 LEU A 19 10.205 -15.600 -2.913 1.00 5.50 H new ATOM 0 HD21 LEU A 19 8.312 -16.325 -5.232 1.00 71.42 H new ATOM 0 HD22 LEU A 19 9.780 -15.338 -5.427 1.00 71.42 H new ATOM 0 HD23 LEU A 19 9.556 -16.804 -6.411 1.00 71.42 H new ATOM 295 N THR A 20 14.024 -17.226 -7.037 1.00 15.01 N ATOM 296 CA THR A 20 14.813 -16.378 -7.921 1.00 70.12 C ATOM 297 C THR A 20 15.329 -17.165 -9.121 1.00 11.42 C ATOM 298 O THR A 20 14.839 -17.004 -10.239 1.00 60.43 O ATOM 299 CB THR A 20 16.009 -15.752 -7.179 1.00 71.22 C ATOM 300 OG1 THR A 20 16.797 -16.779 -6.566 1.00 50.23 O ATOM 301 CG2 THR A 20 15.534 -14.770 -6.119 1.00 41.44 C ATOM 0 H THR A 20 14.550 -17.981 -6.597 1.00 15.01 H new ATOM 0 HA THR A 20 14.154 -15.582 -8.268 1.00 70.12 H new ATOM 0 HB THR A 20 16.617 -15.213 -7.905 1.00 71.22 H new ATOM 0 HG1 THR A 20 16.387 -17.042 -5.716 1.00 50.23 H new ATOM 0 HG21 THR A 20 16.396 -14.341 -5.608 1.00 41.44 H new ATOM 0 HG22 THR A 20 14.959 -13.974 -6.592 1.00 41.44 H new ATOM 0 HG23 THR A 20 14.906 -15.291 -5.396 1.00 41.44 H new ATOM 309 N THR A 21 16.321 -18.016 -8.882 1.00 23.52 N ATOM 310 CA THR A 21 16.904 -18.828 -9.943 1.00 1.11 C ATOM 311 C THR A 21 16.928 -18.069 -11.265 1.00 22.51 C ATOM 312 O THR A 21 16.347 -18.495 -12.263 1.00 61.33 O ATOM 313 CB THR A 21 16.128 -20.145 -10.134 1.00 1.24 C ATOM 314 OG1 THR A 21 16.637 -20.853 -11.269 1.00 72.14 O ATOM 315 CG2 THR A 21 14.643 -19.875 -10.321 1.00 73.32 C ATOM 0 H THR A 21 16.738 -18.161 -7.963 1.00 23.52 H new ATOM 0 HA THR A 21 17.925 -19.058 -9.640 1.00 1.11 H new ATOM 0 HB THR A 21 16.260 -20.753 -9.239 1.00 1.24 H new ATOM 0 HG1 THR A 21 16.545 -20.296 -12.070 1.00 72.14 H new ATOM 0 HG21 THR A 21 14.115 -20.819 -10.454 1.00 73.32 H new ATOM 0 HG22 THR A 21 14.253 -19.362 -9.442 1.00 73.32 H new ATOM 0 HG23 THR A 21 14.495 -19.250 -11.201 1.00 73.32 H new ATOM 323 N PRO A 22 17.616 -16.918 -11.275 1.00 65.32 N ATOM 324 CA PRO A 22 17.734 -16.077 -12.470 1.00 13.33 C ATOM 325 C PRO A 22 18.600 -16.718 -13.548 1.00 23.10 C ATOM 326 O PRO A 22 18.896 -17.911 -13.491 1.00 42.24 O ATOM 327 CB PRO A 22 18.394 -14.801 -11.941 1.00 44.03 C ATOM 328 CG PRO A 22 19.141 -15.236 -10.728 1.00 5.10 C ATOM 329 CD PRO A 22 18.334 -16.350 -10.122 1.00 13.15 C ATOM 0 HA PRO A 22 16.768 -15.908 -12.946 1.00 13.33 H new ATOM 0 HB2 PRO A 22 19.063 -14.365 -12.683 1.00 44.03 H new ATOM 0 HB3 PRO A 22 17.650 -14.042 -11.697 1.00 44.03 H new ATOM 0 HG2 PRO A 22 20.143 -15.577 -10.988 1.00 5.10 H new ATOM 0 HG3 PRO A 22 19.257 -14.411 -10.025 1.00 5.10 H new ATOM 0 HD2 PRO A 22 18.971 -17.092 -9.640 1.00 13.15 H new ATOM 0 HD3 PRO A 22 17.645 -15.980 -9.362 1.00 13.15 H new ATOM 337 N ASN A 23 19.004 -15.918 -14.529 1.00 64.15 N ATOM 338 CA ASN A 23 19.838 -16.409 -15.621 1.00 54.33 C ATOM 339 C ASN A 23 21.064 -17.140 -15.084 1.00 33.35 C ATOM 340 O ASN A 23 21.136 -18.368 -15.129 1.00 31.41 O ATOM 341 CB ASN A 23 20.275 -15.249 -16.518 1.00 14.40 C ATOM 342 CG ASN A 23 19.113 -14.633 -17.274 1.00 61.35 C ATOM 343 OD1 ASN A 23 18.007 -15.173 -17.281 1.00 73.25 O ATOM 344 ND2 ASN A 23 19.361 -13.498 -17.917 1.00 13.44 N ATOM 0 H ASN A 23 18.768 -14.928 -14.591 1.00 64.15 H new ATOM 0 HA ASN A 23 19.247 -17.112 -16.208 1.00 54.33 H new ATOM 0 HB2 ASN A 23 20.755 -14.483 -15.909 1.00 14.40 H new ATOM 0 HB3 ASN A 23 21.020 -15.604 -17.230 1.00 14.40 H new ATOM 0 HD21 ASN A 23 18.619 -13.038 -18.444 1.00 13.44 H new ATOM 0 HD22 ASN A 23 20.294 -13.086 -17.883 1.00 13.44 H new ATOM 351 N ASP A 24 22.025 -16.377 -14.574 1.00 73.44 N ATOM 352 CA ASP A 24 23.248 -16.952 -14.026 1.00 75.40 C ATOM 353 C ASP A 24 24.161 -15.862 -13.474 1.00 72.22 C ATOM 354 O ASP A 24 25.329 -15.771 -13.849 1.00 3.40 O ATOM 355 CB ASP A 24 23.984 -17.757 -15.098 1.00 74.24 C ATOM 356 CG ASP A 24 23.876 -17.125 -16.472 1.00 72.43 C ATOM 357 OD1 ASP A 24 24.156 -15.914 -16.592 1.00 72.03 O ATOM 358 OD2 ASP A 24 23.512 -17.842 -17.428 1.00 24.43 O ATOM 0 H ASP A 24 21.981 -15.359 -14.529 1.00 73.44 H new ATOM 0 HA ASP A 24 22.972 -17.618 -13.209 1.00 75.40 H new ATOM 0 HB2 ASP A 24 25.035 -17.846 -14.824 1.00 74.24 H new ATOM 0 HB3 ASP A 24 23.577 -18.768 -15.133 1.00 74.24 H new ATOM 363 N GLN A 25 23.619 -15.038 -12.583 1.00 73.23 N ATOM 364 CA GLN A 25 24.385 -13.953 -11.982 1.00 31.22 C ATOM 365 C GLN A 25 24.626 -14.214 -10.499 1.00 12.04 C ATOM 366 O GLN A 25 24.834 -13.284 -9.719 1.00 13.31 O ATOM 367 CB GLN A 25 23.654 -12.622 -12.166 1.00 5.24 C ATOM 368 CG GLN A 25 23.986 -11.922 -13.474 1.00 14.33 C ATOM 369 CD GLN A 25 25.383 -11.333 -13.483 1.00 73.34 C ATOM 370 OE1 GLN A 25 25.596 -10.202 -13.045 1.00 74.42 O ATOM 371 NE2 GLN A 25 26.345 -12.100 -13.984 1.00 54.53 N ATOM 0 H GLN A 25 22.653 -15.101 -12.262 1.00 73.23 H new ATOM 0 HA GLN A 25 25.351 -13.901 -12.485 1.00 31.22 H new ATOM 0 HB2 GLN A 25 22.579 -12.798 -12.120 1.00 5.24 H new ATOM 0 HB3 GLN A 25 23.905 -11.961 -11.336 1.00 5.24 H new ATOM 0 HG2 GLN A 25 23.890 -12.631 -14.296 1.00 14.33 H new ATOM 0 HG3 GLN A 25 23.260 -11.128 -13.651 1.00 14.33 H new ATOM 0 HE21 GLN A 25 26.123 -13.031 -14.336 1.00 54.53 H new ATOM 0 HE22 GLN A 25 27.305 -11.758 -14.017 1.00 54.53 H new ATOM 380 N THR A 26 24.596 -15.486 -10.114 1.00 22.31 N ATOM 381 CA THR A 26 24.810 -15.870 -8.724 1.00 53.32 C ATOM 382 C THR A 26 26.297 -15.973 -8.404 1.00 54.44 C ATOM 383 O THR A 26 27.140 -15.905 -9.299 1.00 75.25 O ATOM 384 CB THR A 26 24.133 -17.215 -8.402 1.00 74.33 C ATOM 385 OG1 THR A 26 24.436 -18.173 -9.423 1.00 10.11 O ATOM 386 CG2 THR A 26 22.625 -17.049 -8.288 1.00 51.21 C ATOM 0 H THR A 26 24.425 -16.268 -10.746 1.00 22.31 H new ATOM 0 HA THR A 26 24.362 -15.090 -8.109 1.00 53.32 H new ATOM 0 HB THR A 26 24.517 -17.569 -7.445 1.00 74.33 H new ATOM 0 HG1 THR A 26 24.003 -19.026 -9.210 1.00 10.11 H new ATOM 0 HG21 THR A 26 22.169 -18.013 -8.060 1.00 51.21 H new ATOM 0 HG22 THR A 26 22.396 -16.342 -7.491 1.00 51.21 H new ATOM 0 HG23 THR A 26 22.228 -16.674 -9.231 1.00 51.21 H new ATOM 394 N ILE A 27 26.612 -16.137 -7.124 1.00 54.30 N ATOM 395 CA ILE A 27 27.998 -16.251 -6.687 1.00 54.24 C ATOM 396 C ILE A 27 28.205 -17.498 -5.835 1.00 73.45 C ATOM 397 O ILE A 27 29.122 -18.284 -6.078 1.00 32.10 O ATOM 398 CB ILE A 27 28.438 -15.014 -5.882 1.00 53.00 C ATOM 399 CG1 ILE A 27 28.402 -13.764 -6.764 1.00 72.54 C ATOM 400 CG2 ILE A 27 29.831 -15.224 -5.308 1.00 40.02 C ATOM 401 CD1 ILE A 27 27.340 -12.767 -6.357 1.00 31.32 C ATOM 0 H ILE A 27 25.926 -16.194 -6.371 1.00 54.30 H new ATOM 0 HA ILE A 27 28.608 -16.324 -7.588 1.00 54.24 H new ATOM 0 HB ILE A 27 27.743 -14.871 -5.055 1.00 53.00 H new ATOM 0 HG12 ILE A 27 29.377 -13.278 -6.731 1.00 72.54 H new ATOM 0 HG13 ILE A 27 28.230 -14.064 -7.798 1.00 72.54 H new ATOM 0 HG21 ILE A 27 30.128 -14.341 -4.742 1.00 40.02 H new ATOM 0 HG22 ILE A 27 29.826 -16.093 -4.650 1.00 40.02 H new ATOM 0 HG23 ILE A 27 30.538 -15.389 -6.121 1.00 40.02 H new ATOM 0 HD11 ILE A 27 27.373 -11.907 -7.026 1.00 31.32 H new ATOM 0 HD12 ILE A 27 26.358 -13.236 -6.417 1.00 31.32 H new ATOM 0 HD13 ILE A 27 27.523 -12.438 -5.334 1.00 31.32 H new ATOM 413 N LEU A 28 27.346 -17.676 -4.838 1.00 12.23 N ATOM 414 CA LEU A 28 27.433 -18.830 -3.950 1.00 14.14 C ATOM 415 C LEU A 28 26.063 -19.180 -3.376 1.00 42.12 C ATOM 416 O LEU A 28 25.454 -18.381 -2.663 1.00 23.42 O ATOM 417 CB LEU A 28 28.418 -18.551 -2.813 1.00 52.32 C ATOM 418 CG LEU A 28 28.883 -19.768 -2.014 1.00 34.44 C ATOM 419 CD1 LEU A 28 30.366 -20.019 -2.237 1.00 10.13 C ATOM 420 CD2 LEU A 28 28.589 -19.578 -0.533 1.00 12.23 C ATOM 0 H LEU A 28 26.581 -17.036 -4.624 1.00 12.23 H new ATOM 0 HA LEU A 28 27.791 -19.679 -4.532 1.00 14.14 H new ATOM 0 HB2 LEU A 28 29.296 -18.060 -3.232 1.00 52.32 H new ATOM 0 HB3 LEU A 28 27.956 -17.844 -2.124 1.00 52.32 H new ATOM 0 HG LEU A 28 28.332 -20.640 -2.364 1.00 34.44 H new ATOM 0 HD11 LEU A 28 30.679 -20.889 -1.660 1.00 10.13 H new ATOM 0 HD12 LEU A 28 30.549 -20.201 -3.296 1.00 10.13 H new ATOM 0 HD13 LEU A 28 30.935 -19.147 -1.915 1.00 10.13 H new ATOM 0 HD21 LEU A 28 28.927 -20.454 0.020 1.00 12.23 H new ATOM 0 HD22 LEU A 28 29.113 -18.694 -0.168 1.00 12.23 H new ATOM 0 HD23 LEU A 28 27.516 -19.449 -0.389 1.00 12.23 H new ATOM 432 N LEU A 29 25.585 -20.379 -3.691 1.00 11.34 N ATOM 433 CA LEU A 29 24.288 -20.836 -3.205 1.00 33.42 C ATOM 434 C LEU A 29 24.417 -22.176 -2.488 1.00 33.53 C ATOM 435 O LEU A 29 25.259 -23.001 -2.840 1.00 22.52 O ATOM 436 CB LEU A 29 23.301 -20.960 -4.367 1.00 15.23 C ATOM 437 CG LEU A 29 23.329 -22.282 -5.134 1.00 35.33 C ATOM 438 CD1 LEU A 29 22.323 -23.261 -4.548 1.00 15.34 C ATOM 439 CD2 LEU A 29 23.049 -22.048 -6.611 1.00 71.01 C ATOM 0 H LEU A 29 26.076 -21.052 -4.280 1.00 11.34 H new ATOM 0 HA LEU A 29 23.913 -20.099 -2.495 1.00 33.42 H new ATOM 0 HB2 LEU A 29 22.294 -20.810 -3.979 1.00 15.23 H new ATOM 0 HB3 LEU A 29 23.496 -20.151 -5.071 1.00 15.23 H new ATOM 0 HG LEU A 29 24.325 -22.714 -5.037 1.00 35.33 H new ATOM 0 HD11 LEU A 29 22.357 -24.196 -5.107 1.00 15.34 H new ATOM 0 HD12 LEU A 29 22.568 -23.453 -3.504 1.00 15.34 H new ATOM 0 HD13 LEU A 29 21.321 -22.836 -4.613 1.00 15.34 H new ATOM 0 HD21 LEU A 29 23.073 -23.000 -7.141 1.00 71.01 H new ATOM 0 HD22 LEU A 29 22.066 -21.593 -6.727 1.00 71.01 H new ATOM 0 HD23 LEU A 29 23.808 -21.383 -7.024 1.00 71.01 H new ATOM 451 N ALA A 30 23.574 -22.387 -1.481 1.00 45.34 N ATOM 452 CA ALA A 30 23.591 -23.628 -0.718 1.00 24.14 C ATOM 453 C ALA A 30 22.338 -24.455 -0.985 1.00 42.54 C ATOM 454 O ALA A 30 21.260 -24.151 -0.473 1.00 3.44 O ATOM 455 CB ALA A 30 23.723 -23.331 0.769 1.00 72.51 C ATOM 0 H ALA A 30 22.871 -21.714 -1.176 1.00 45.34 H new ATOM 0 HA ALA A 30 24.454 -24.211 -1.039 1.00 24.14 H new ATOM 0 HB1 ALA A 30 23.734 -24.267 1.327 1.00 72.51 H new ATOM 0 HB2 ALA A 30 24.651 -22.789 0.951 1.00 72.51 H new ATOM 0 HB3 ALA A 30 22.878 -22.724 1.095 1.00 72.51 H new ATOM 461 N LEU A 31 22.486 -25.500 -1.792 1.00 12.04 N ATOM 462 CA LEU A 31 21.365 -26.371 -2.128 1.00 52.23 C ATOM 463 C LEU A 31 20.724 -26.945 -0.869 1.00 11.11 C ATOM 464 O LEU A 31 19.549 -27.314 -0.869 1.00 52.43 O ATOM 465 CB LEU A 31 21.832 -27.507 -3.040 1.00 10.20 C ATOM 466 CG LEU A 31 21.263 -27.506 -4.459 1.00 54.11 C ATOM 467 CD1 LEU A 31 19.743 -27.453 -4.425 1.00 21.34 C ATOM 468 CD2 LEU A 31 21.821 -26.336 -5.257 1.00 34.31 C ATOM 0 H LEU A 31 23.371 -25.765 -2.226 1.00 12.04 H new ATOM 0 HA LEU A 31 20.619 -25.775 -2.653 1.00 52.23 H new ATOM 0 HB2 LEU A 31 22.919 -27.469 -3.106 1.00 10.20 H new ATOM 0 HB3 LEU A 31 21.574 -28.455 -2.567 1.00 10.20 H new ATOM 0 HG LEU A 31 21.563 -28.431 -4.950 1.00 54.11 H new ATOM 0 HD11 LEU A 31 19.356 -27.453 -5.444 1.00 21.34 H new ATOM 0 HD12 LEU A 31 19.360 -28.323 -3.892 1.00 21.34 H new ATOM 0 HD13 LEU A 31 19.422 -26.545 -3.915 1.00 21.34 H new ATOM 0 HD21 LEU A 31 21.405 -26.351 -6.264 1.00 34.31 H new ATOM 0 HD22 LEU A 31 21.552 -25.400 -4.767 1.00 34.31 H new ATOM 0 HD23 LEU A 31 22.907 -26.418 -5.311 1.00 34.31 H new ATOM 480 N THR A 32 21.503 -27.016 0.206 1.00 62.42 N ATOM 481 CA THR A 32 21.012 -27.544 1.472 1.00 30.24 C ATOM 482 C THR A 32 19.814 -26.746 1.973 1.00 12.21 C ATOM 483 O THR A 32 18.896 -27.299 2.577 1.00 32.53 O ATOM 484 CB THR A 32 22.111 -27.530 2.551 1.00 3.42 C ATOM 485 OG1 THR A 32 23.292 -28.172 2.057 1.00 54.03 O ATOM 486 CG2 THR A 32 21.638 -28.231 3.816 1.00 41.25 C ATOM 0 H THR A 32 22.477 -26.714 0.225 1.00 62.42 H new ATOM 0 HA THR A 32 20.708 -28.574 1.287 1.00 30.24 H new ATOM 0 HB THR A 32 22.337 -26.492 2.793 1.00 3.42 H new ATOM 0 HG1 THR A 32 23.986 -28.157 2.749 1.00 54.03 H new ATOM 0 HG21 THR A 32 22.431 -28.208 4.563 1.00 41.25 H new ATOM 0 HG22 THR A 32 20.757 -27.722 4.207 1.00 41.25 H new ATOM 0 HG23 THR A 32 21.386 -29.266 3.586 1.00 41.25 H new ATOM 494 N ALA A 33 19.829 -25.442 1.717 1.00 11.33 N ATOM 495 CA ALA A 33 18.742 -24.568 2.140 1.00 53.31 C ATOM 496 C ALA A 33 18.146 -23.819 0.953 1.00 71.14 C ATOM 497 O ALA A 33 17.369 -22.879 1.125 1.00 25.33 O ATOM 498 CB ALA A 33 19.233 -23.586 3.193 1.00 41.40 C ATOM 0 H ALA A 33 20.582 -24.968 1.219 1.00 11.33 H new ATOM 0 HA ALA A 33 17.959 -25.189 2.575 1.00 53.31 H new ATOM 0 HB1 ALA A 33 18.411 -22.940 3.499 1.00 41.40 H new ATOM 0 HB2 ALA A 33 19.604 -24.136 4.058 1.00 41.40 H new ATOM 0 HB3 ALA A 33 20.036 -22.978 2.777 1.00 41.40 H new ATOM 504 N ASP A 34 18.515 -24.241 -0.252 1.00 14.30 N ATOM 505 CA ASP A 34 18.016 -23.610 -1.469 1.00 0.04 C ATOM 506 C ASP A 34 18.212 -22.098 -1.416 1.00 52.03 C ATOM 507 O ASP A 34 17.421 -21.339 -1.978 1.00 51.02 O ATOM 508 CB ASP A 34 16.536 -23.938 -1.669 1.00 72.51 C ATOM 509 CG ASP A 34 16.227 -24.376 -3.087 1.00 72.33 C ATOM 510 OD1 ASP A 34 16.398 -23.555 -4.013 1.00 31.03 O ATOM 511 OD2 ASP A 34 15.815 -25.540 -3.272 1.00 32.41 O ATOM 0 H ASP A 34 19.158 -25.017 -0.412 1.00 14.30 H new ATOM 0 HA ASP A 34 18.584 -24.003 -2.312 1.00 0.04 H new ATOM 0 HB2 ASP A 34 16.245 -24.728 -0.976 1.00 72.51 H new ATOM 0 HB3 ASP A 34 15.936 -23.062 -1.424 1.00 72.51 H new ATOM 516 N LEU A 35 19.269 -21.667 -0.738 1.00 1.35 N ATOM 517 CA LEU A 35 19.569 -20.245 -0.610 1.00 52.35 C ATOM 518 C LEU A 35 20.607 -19.813 -1.641 1.00 53.34 C ATOM 519 O LEU A 35 21.642 -20.458 -1.801 1.00 21.40 O ATOM 520 CB LEU A 35 20.074 -19.934 0.800 1.00 53.34 C ATOM 521 CG LEU A 35 20.375 -18.464 1.096 1.00 63.23 C ATOM 522 CD1 LEU A 35 21.755 -18.088 0.578 1.00 11.33 C ATOM 523 CD2 LEU A 35 19.310 -17.567 0.482 1.00 63.00 C ATOM 0 H LEU A 35 19.933 -22.282 -0.268 1.00 1.35 H new ATOM 0 HA LEU A 35 18.650 -19.688 -0.791 1.00 52.35 H new ATOM 0 HB2 LEU A 35 19.330 -20.283 1.516 1.00 53.34 H new ATOM 0 HB3 LEU A 35 20.981 -20.512 0.975 1.00 53.34 H new ATOM 0 HG LEU A 35 20.363 -18.320 2.176 1.00 63.23 H new ATOM 0 HD11 LEU A 35 21.952 -17.039 0.797 1.00 11.33 H new ATOM 0 HD12 LEU A 35 22.508 -18.708 1.065 1.00 11.33 H new ATOM 0 HD13 LEU A 35 21.795 -18.247 -0.500 1.00 11.33 H new ATOM 0 HD21 LEU A 35 19.541 -16.525 0.703 1.00 63.00 H new ATOM 0 HD22 LEU A 35 19.290 -17.713 -0.598 1.00 63.00 H new ATOM 0 HD23 LEU A 35 18.336 -17.820 0.901 1.00 63.00 H new ATOM 535 N GLN A 36 20.322 -18.716 -2.336 1.00 61.03 N ATOM 536 CA GLN A 36 21.232 -18.197 -3.351 1.00 23.35 C ATOM 537 C GLN A 36 21.754 -16.818 -2.960 1.00 31.41 C ATOM 538 O GLN A 36 21.061 -16.047 -2.296 1.00 35.31 O ATOM 539 CB GLN A 36 20.529 -18.124 -4.707 1.00 65.32 C ATOM 540 CG GLN A 36 20.980 -19.198 -5.685 1.00 4.25 C ATOM 541 CD GLN A 36 20.234 -19.138 -7.003 1.00 0.23 C ATOM 542 OE1 GLN A 36 19.156 -18.549 -7.093 1.00 22.33 O ATOM 543 NE2 GLN A 36 20.805 -19.748 -8.035 1.00 13.02 N ATOM 0 H GLN A 36 19.469 -18.170 -2.215 1.00 61.03 H new ATOM 0 HA GLN A 36 22.080 -18.878 -3.426 1.00 23.35 H new ATOM 0 HB2 GLN A 36 19.453 -18.212 -4.554 1.00 65.32 H new ATOM 0 HB3 GLN A 36 20.709 -17.144 -5.148 1.00 65.32 H new ATOM 0 HG2 GLN A 36 22.048 -19.089 -5.871 1.00 4.25 H new ATOM 0 HG3 GLN A 36 20.834 -20.179 -5.234 1.00 4.25 H new ATOM 0 HE21 GLN A 36 21.699 -20.224 -7.915 1.00 13.02 H new ATOM 0 HE22 GLN A 36 20.350 -19.741 -8.948 1.00 13.02 H new ATOM 552 N ILE A 37 22.979 -16.515 -3.376 1.00 32.12 N ATOM 553 CA ILE A 37 23.592 -15.229 -3.070 1.00 3.13 C ATOM 554 C ILE A 37 24.047 -14.520 -4.341 1.00 60.20 C ATOM 555 O ILE A 37 24.644 -15.133 -5.226 1.00 71.42 O ATOM 556 CB ILE A 37 24.799 -15.391 -2.126 1.00 53.12 C ATOM 557 CG1 ILE A 37 24.369 -16.071 -0.825 1.00 74.30 C ATOM 558 CG2 ILE A 37 25.432 -14.038 -1.838 1.00 54.44 C ATOM 559 CD1 ILE A 37 25.524 -16.636 -0.028 1.00 35.10 C ATOM 0 H ILE A 37 23.566 -17.142 -3.926 1.00 32.12 H new ATOM 0 HA ILE A 37 22.831 -14.627 -2.574 1.00 3.13 H new ATOM 0 HB ILE A 37 25.542 -16.021 -2.615 1.00 53.12 H new ATOM 0 HG12 ILE A 37 23.831 -15.351 -0.209 1.00 74.30 H new ATOM 0 HG13 ILE A 37 23.671 -16.875 -1.058 1.00 74.30 H new ATOM 0 HG21 ILE A 37 26.283 -14.169 -1.170 1.00 54.44 H new ATOM 0 HG22 ILE A 37 25.770 -13.588 -2.772 1.00 54.44 H new ATOM 0 HG23 ILE A 37 24.697 -13.386 -1.366 1.00 54.44 H new ATOM 0 HD11 ILE A 37 25.145 -17.103 0.881 1.00 35.10 H new ATOM 0 HD12 ILE A 37 26.049 -17.380 -0.626 1.00 35.10 H new ATOM 0 HD13 ILE A 37 26.211 -15.832 0.236 1.00 35.10 H new ATOM 571 N ASP A 38 23.762 -13.225 -4.424 1.00 24.31 N ATOM 572 CA ASP A 38 24.145 -12.431 -5.586 1.00 34.32 C ATOM 573 C ASP A 38 24.948 -11.205 -5.165 1.00 43.33 C ATOM 574 O ASP A 38 25.165 -10.970 -3.977 1.00 44.44 O ATOM 575 CB ASP A 38 22.902 -11.999 -6.366 1.00 61.42 C ATOM 576 CG ASP A 38 23.127 -12.010 -7.865 1.00 44.34 C ATOM 577 OD1 ASP A 38 23.927 -11.183 -8.351 1.00 44.32 O ATOM 578 OD2 ASP A 38 22.504 -12.845 -8.553 1.00 23.43 O ATOM 0 H ASP A 38 23.267 -12.703 -3.701 1.00 24.31 H new ATOM 0 HA ASP A 38 24.771 -13.050 -6.229 1.00 34.32 H new ATOM 0 HB2 ASP A 38 22.074 -12.664 -6.121 1.00 61.42 H new ATOM 0 HB3 ASP A 38 22.610 -10.997 -6.053 1.00 61.42 H new ATOM 583 N GLY A 39 25.389 -10.426 -6.149 1.00 54.10 N ATOM 584 CA GLY A 39 26.164 -9.234 -5.861 1.00 5.12 C ATOM 585 C GLY A 39 25.452 -7.963 -6.280 1.00 21.23 C ATOM 586 O GLY A 39 24.518 -8.003 -7.081 1.00 15.22 O ATOM 0 H GLY A 39 25.223 -10.600 -7.140 1.00 54.10 H new ATOM 0 HA2 GLY A 39 26.377 -9.192 -4.793 1.00 5.12 H new ATOM 0 HA3 GLY A 39 27.123 -9.295 -6.375 1.00 5.12 H new ATOM 590 N CYS A 40 25.892 -6.834 -5.737 1.00 3.34 N ATOM 591 CA CYS A 40 25.289 -5.545 -6.057 1.00 34.11 C ATOM 592 C CYS A 40 26.358 -4.471 -6.228 1.00 70.24 C ATOM 593 O CYS A 40 27.294 -4.380 -5.434 1.00 32.54 O ATOM 594 CB CYS A 40 24.305 -5.133 -4.961 1.00 4.54 C ATOM 595 SG CYS A 40 22.633 -4.792 -5.559 1.00 4.54 S ATOM 0 H CYS A 40 26.664 -6.785 -5.073 1.00 3.34 H new ATOM 0 HA CYS A 40 24.750 -5.648 -6.999 1.00 34.11 H new ATOM 0 HB2 CYS A 40 24.257 -5.925 -4.214 1.00 4.54 H new ATOM 0 HB3 CYS A 40 24.688 -4.244 -4.459 1.00 4.54 H new ATOM 0 HG CYS A 40 21.875 -4.454 -4.559 1.00 4.54 H new ATOM 601 N ASP A 41 26.213 -3.661 -7.271 1.00 64.12 N ATOM 602 CA ASP A 41 27.167 -2.593 -7.548 1.00 23.32 C ATOM 603 C ASP A 41 26.975 -1.429 -6.581 1.00 24.22 C ATOM 604 O ASP A 41 27.933 -0.743 -6.224 1.00 55.21 O ATOM 605 CB ASP A 41 27.015 -2.105 -8.989 1.00 61.44 C ATOM 606 CG ASP A 41 28.181 -1.246 -9.436 1.00 3.53 C ATOM 607 OD1 ASP A 41 29.177 -1.809 -9.937 1.00 31.11 O ATOM 608 OD2 ASP A 41 28.098 -0.009 -9.285 1.00 10.13 O ATOM 0 H ASP A 41 25.444 -3.723 -7.938 1.00 64.12 H new ATOM 0 HA ASP A 41 28.172 -2.993 -7.412 1.00 23.32 H new ATOM 0 HB2 ASP A 41 26.926 -2.965 -9.653 1.00 61.44 H new ATOM 0 HB3 ASP A 41 26.091 -1.534 -9.080 1.00 61.44 H new ATOM 613 N GLN A 42 25.733 -1.213 -6.162 1.00 34.10 N ATOM 614 CA GLN A 42 25.416 -0.131 -5.238 1.00 12.32 C ATOM 615 C GLN A 42 25.479 -0.613 -3.792 1.00 73.13 C ATOM 616 O GLN A 42 25.288 -1.793 -3.497 1.00 63.23 O ATOM 617 CB GLN A 42 24.027 0.435 -5.539 1.00 40.40 C ATOM 618 CG GLN A 42 23.767 0.652 -7.021 1.00 12.41 C ATOM 619 CD GLN A 42 22.341 1.082 -7.306 1.00 63.14 C ATOM 620 OE1 GLN A 42 21.392 0.544 -6.735 1.00 63.45 O ATOM 621 NE2 GLN A 42 22.183 2.057 -8.194 1.00 31.02 N ATOM 0 H GLN A 42 24.930 -1.773 -6.448 1.00 34.10 H new ATOM 0 HA GLN A 42 26.158 0.656 -5.372 1.00 12.32 H new ATOM 0 HB2 GLN A 42 23.273 -0.245 -5.142 1.00 40.40 H new ATOM 0 HB3 GLN A 42 23.909 1.384 -5.015 1.00 40.40 H new ATOM 0 HG2 GLN A 42 24.453 1.409 -7.399 1.00 12.41 H new ATOM 0 HG3 GLN A 42 23.980 -0.270 -7.562 1.00 12.41 H new ATOM 0 HE21 GLN A 42 22.998 2.475 -8.643 1.00 31.02 H new ATOM 0 HE22 GLN A 42 21.247 2.388 -8.427 1.00 31.02 H new ATOM 630 N PRO A 43 25.753 0.320 -2.868 1.00 74.51 N ATOM 631 CA PRO A 43 25.847 0.013 -1.438 1.00 32.23 C ATOM 632 C PRO A 43 24.492 -0.333 -0.829 1.00 24.43 C ATOM 633 O PRO A 43 23.516 0.392 -1.010 1.00 54.10 O ATOM 634 CB PRO A 43 26.390 1.309 -0.832 1.00 12.50 C ATOM 635 CG PRO A 43 25.971 2.377 -1.784 1.00 21.55 C ATOM 636 CD PRO A 43 25.991 1.745 -3.148 1.00 52.42 C ATOM 0 HA PRO A 43 26.474 -0.858 -1.249 1.00 32.23 H new ATOM 0 HB2 PRO A 43 25.981 1.483 0.163 1.00 12.50 H new ATOM 0 HB3 PRO A 43 27.475 1.274 -0.729 1.00 12.50 H new ATOM 0 HG2 PRO A 43 24.976 2.749 -1.540 1.00 21.55 H new ATOM 0 HG3 PRO A 43 26.649 3.229 -1.738 1.00 21.55 H new ATOM 0 HD2 PRO A 43 25.219 2.162 -3.795 1.00 52.42 H new ATOM 0 HD3 PRO A 43 26.946 1.902 -3.649 1.00 52.42 H new ATOM 644 N GLY A 44 24.441 -1.447 -0.104 1.00 65.44 N ATOM 645 CA GLY A 44 23.202 -1.870 0.521 1.00 52.23 C ATOM 646 C GLY A 44 23.385 -2.243 1.978 1.00 23.03 C ATOM 647 O GLY A 44 23.797 -3.355 2.309 1.00 31.14 O ATOM 0 H GLY A 44 25.236 -2.064 0.061 1.00 65.44 H new ATOM 0 HA2 GLY A 44 22.468 -1.068 0.444 1.00 52.23 H new ATOM 0 HA3 GLY A 44 22.798 -2.725 -0.022 1.00 52.23 H new ATOM 651 N PRO A 45 23.077 -1.298 2.879 1.00 50.34 N ATOM 652 CA PRO A 45 23.203 -1.509 4.324 1.00 64.54 C ATOM 653 C PRO A 45 22.169 -2.494 4.858 1.00 71.11 C ATOM 654 O PRO A 45 20.999 -2.447 4.478 1.00 12.20 O ATOM 655 CB PRO A 45 22.966 -0.115 4.908 1.00 3.15 C ATOM 656 CG PRO A 45 22.139 0.588 3.888 1.00 3.22 C ATOM 657 CD PRO A 45 22.581 0.050 2.555 1.00 12.41 C ATOM 0 HA PRO A 45 24.169 -1.939 4.591 1.00 64.54 H new ATOM 0 HB2 PRO A 45 22.450 -0.170 5.866 1.00 3.15 H new ATOM 0 HB3 PRO A 45 23.907 0.406 5.082 1.00 3.15 H new ATOM 0 HG2 PRO A 45 21.077 0.403 4.051 1.00 3.22 H new ATOM 0 HG3 PRO A 45 22.286 1.667 3.942 1.00 3.22 H new ATOM 0 HD2 PRO A 45 21.757 0.014 1.843 1.00 12.41 H new ATOM 0 HD3 PRO A 45 23.360 0.669 2.110 1.00 12.41 H new ATOM 665 N ASP A 46 22.607 -3.385 5.741 1.00 44.34 N ATOM 666 CA ASP A 46 21.719 -4.380 6.329 1.00 75.15 C ATOM 667 C ASP A 46 22.398 -5.096 7.492 1.00 50.12 C ATOM 668 O ASP A 46 21.920 -5.052 8.625 1.00 43.44 O ATOM 669 CB ASP A 46 21.286 -5.397 5.271 1.00 53.42 C ATOM 670 CG ASP A 46 19.955 -5.041 4.637 1.00 63.25 C ATOM 671 OD1 ASP A 46 19.094 -4.474 5.341 1.00 22.04 O ATOM 672 OD2 ASP A 46 19.776 -5.329 3.435 1.00 34.50 O ATOM 0 H ASP A 46 23.573 -3.438 6.065 1.00 44.34 H new ATOM 0 HA ASP A 46 20.837 -3.864 6.709 1.00 75.15 H new ATOM 0 HB2 ASP A 46 22.050 -5.458 4.496 1.00 53.42 H new ATOM 0 HB3 ASP A 46 21.215 -6.384 5.727 1.00 53.42 H new ATOM 677 N ASN A 47 23.515 -5.756 7.203 1.00 52.13 N ATOM 678 CA ASN A 47 24.259 -6.483 8.225 1.00 42.14 C ATOM 679 C ASN A 47 23.317 -7.284 9.118 1.00 54.22 C ATOM 680 O ASN A 47 22.893 -6.810 10.173 1.00 62.33 O ATOM 681 CB ASN A 47 25.082 -5.512 9.074 1.00 41.24 C ATOM 682 CG ASN A 47 25.546 -6.133 10.377 1.00 73.11 C ATOM 683 OD1 ASN A 47 25.090 -5.753 11.455 1.00 10.25 O ATOM 684 ND2 ASN A 47 26.457 -7.094 10.283 1.00 71.53 N ATOM 0 H ASN A 47 23.925 -5.802 6.270 1.00 52.13 H new ATOM 0 HA ASN A 47 24.933 -7.177 7.723 1.00 42.14 H new ATOM 0 HB2 ASN A 47 25.950 -5.181 8.504 1.00 41.24 H new ATOM 0 HB3 ASN A 47 24.485 -4.626 9.289 1.00 41.24 H new ATOM 0 HD21 ASN A 47 26.807 -7.549 11.126 1.00 71.53 H new ATOM 0 HD22 ASN A 47 26.807 -7.377 9.368 1.00 71.53 H new ATOM 691 N ILE A 48 22.993 -8.499 8.688 1.00 1.22 N ATOM 692 CA ILE A 48 22.102 -9.366 9.450 1.00 45.24 C ATOM 693 C ILE A 48 22.553 -9.477 10.902 1.00 22.41 C ATOM 694 O ILE A 48 23.728 -9.695 11.198 1.00 21.25 O ATOM 695 CB ILE A 48 22.030 -10.777 8.836 1.00 3.33 C ATOM 696 CG1 ILE A 48 21.529 -10.704 7.392 1.00 3.15 C ATOM 697 CG2 ILE A 48 21.127 -11.672 9.672 1.00 41.33 C ATOM 698 CD1 ILE A 48 22.274 -11.620 6.447 1.00 25.34 C ATOM 0 H ILE A 48 23.334 -8.905 7.817 1.00 1.22 H new ATOM 0 HA ILE A 48 21.112 -8.912 9.414 1.00 45.24 H new ATOM 0 HB ILE A 48 23.032 -11.207 8.831 1.00 3.33 H new ATOM 0 HG12 ILE A 48 20.469 -10.957 7.370 1.00 3.15 H new ATOM 0 HG13 ILE A 48 21.619 -9.678 7.036 1.00 3.15 H new ATOM 0 HG21 ILE A 48 21.086 -12.666 9.226 1.00 41.33 H new ATOM 0 HG22 ILE A 48 21.524 -11.745 10.685 1.00 41.33 H new ATOM 0 HG23 ILE A 48 20.124 -11.247 9.705 1.00 41.33 H new ATOM 0 HD11 ILE A 48 21.866 -11.516 5.442 1.00 25.34 H new ATOM 0 HD12 ILE A 48 23.331 -11.353 6.439 1.00 25.34 H new ATOM 0 HD13 ILE A 48 22.163 -12.653 6.778 1.00 25.34 H new ATOM 710 N PRO A 49 21.598 -9.327 11.831 1.00 13.33 N ATOM 711 CA PRO A 49 21.872 -9.409 13.269 1.00 13.00 C ATOM 712 C PRO A 49 22.217 -10.826 13.713 1.00 21.22 C ATOM 713 O PRO A 49 21.951 -11.793 12.999 1.00 44.14 O ATOM 714 CB PRO A 49 20.557 -8.954 13.907 1.00 31.13 C ATOM 715 CG PRO A 49 19.515 -9.258 12.887 1.00 62.34 C ATOM 716 CD PRO A 49 20.176 -9.065 11.550 1.00 42.01 C ATOM 0 HA PRO A 49 22.732 -8.804 13.555 1.00 13.00 H new ATOM 0 HB2 PRO A 49 20.365 -9.485 14.839 1.00 31.13 H new ATOM 0 HB3 PRO A 49 20.580 -7.890 14.145 1.00 31.13 H new ATOM 0 HG2 PRO A 49 19.147 -10.278 12.997 1.00 62.34 H new ATOM 0 HG3 PRO A 49 18.656 -8.596 12.997 1.00 62.34 H new ATOM 0 HD2 PRO A 49 19.781 -9.753 10.803 1.00 42.01 H new ATOM 0 HD3 PRO A 49 20.021 -8.056 11.167 1.00 42.01 H new ATOM 724 N ASP A 50 22.810 -10.942 14.896 1.00 30.42 N ATOM 725 CA ASP A 50 23.190 -12.242 15.436 1.00 24.45 C ATOM 726 C ASP A 50 22.169 -12.725 16.462 1.00 3.42 C ATOM 727 O ASP A 50 22.497 -13.495 17.365 1.00 33.21 O ATOM 728 CB ASP A 50 24.578 -12.167 16.076 1.00 14.41 C ATOM 729 CG ASP A 50 25.646 -11.733 15.092 1.00 61.21 C ATOM 730 OD1 ASP A 50 25.365 -11.728 13.875 1.00 63.22 O ATOM 731 OD2 ASP A 50 26.763 -11.398 15.539 1.00 71.24 O ATOM 0 H ASP A 50 23.038 -10.152 15.499 1.00 30.42 H new ATOM 0 HA ASP A 50 23.216 -12.956 14.612 1.00 24.45 H new ATOM 0 HB2 ASP A 50 24.552 -11.468 16.912 1.00 14.41 H new ATOM 0 HB3 ASP A 50 24.840 -13.143 16.485 1.00 14.41 H new ATOM 736 N CYS A 51 20.931 -12.265 16.318 1.00 51.02 N ATOM 737 CA CYS A 51 19.861 -12.647 17.232 1.00 64.33 C ATOM 738 C CYS A 51 18.603 -13.039 16.463 1.00 71.12 C ATOM 739 O CYS A 51 18.048 -12.238 15.710 1.00 64.43 O ATOM 740 CB CYS A 51 19.548 -11.499 18.193 1.00 43.44 C ATOM 741 SG CYS A 51 17.992 -11.705 19.116 1.00 32.23 S ATOM 0 H CYS A 51 20.644 -11.627 15.576 1.00 51.02 H new ATOM 0 HA CYS A 51 20.198 -13.510 17.806 1.00 64.33 H new ATOM 0 HB2 CYS A 51 20.369 -11.400 18.903 1.00 43.44 H new ATOM 0 HB3 CYS A 51 19.502 -10.568 17.627 1.00 43.44 H new ATOM 0 HG CYS A 51 18.011 -10.949 20.173 1.00 32.23 H new ATOM 746 N ASP A 52 18.158 -14.275 16.658 1.00 31.44 N ATOM 747 CA ASP A 52 16.964 -14.774 15.985 1.00 43.11 C ATOM 748 C ASP A 52 15.701 -14.297 16.694 1.00 11.42 C ATOM 749 O ASP A 52 14.615 -14.290 16.114 1.00 71.14 O ATOM 750 CB ASP A 52 16.986 -16.302 15.928 1.00 73.21 C ATOM 751 CG ASP A 52 16.686 -16.936 17.272 1.00 2.12 C ATOM 752 OD1 ASP A 52 17.618 -17.046 18.097 1.00 55.35 O ATOM 753 OD2 ASP A 52 15.521 -17.323 17.500 1.00 54.14 O ATOM 0 H ASP A 52 18.606 -14.951 17.277 1.00 31.44 H new ATOM 0 HA ASP A 52 16.959 -14.380 14.969 1.00 43.11 H new ATOM 0 HB2 ASP A 52 16.255 -16.646 15.196 1.00 73.21 H new ATOM 0 HB3 ASP A 52 17.964 -16.636 15.582 1.00 73.21 H new ATOM 758 N CYS A 53 15.850 -13.899 17.953 1.00 12.42 N ATOM 759 CA CYS A 53 14.722 -13.421 18.743 1.00 15.03 C ATOM 760 C CYS A 53 13.569 -14.420 18.705 1.00 73.05 C ATOM 761 O CYS A 53 13.712 -15.532 18.196 1.00 62.33 O ATOM 762 CB CYS A 53 14.250 -12.061 18.226 1.00 15.44 C ATOM 763 SG CYS A 53 14.584 -10.677 19.363 1.00 53.41 S ATOM 0 H CYS A 53 16.742 -13.898 18.448 1.00 12.42 H new ATOM 0 HA CYS A 53 15.053 -13.314 19.776 1.00 15.03 H new ATOM 0 HB2 CYS A 53 14.736 -11.858 17.272 1.00 15.44 H new ATOM 0 HB3 CYS A 53 13.178 -12.109 18.034 1.00 15.44 H new ATOM 0 HG CYS A 53 15.858 -10.622 19.617 1.00 53.41 H new ATOM 768 N THR A 54 12.424 -14.015 19.246 1.00 72.51 N ATOM 769 CA THR A 54 11.246 -14.874 19.274 1.00 4.05 C ATOM 770 C THR A 54 10.028 -14.155 18.707 1.00 32.02 C ATOM 771 O THR A 54 9.356 -14.665 17.810 1.00 3.23 O ATOM 772 CB THR A 54 10.930 -15.346 20.706 1.00 13.43 C ATOM 773 OG1 THR A 54 10.973 -14.235 21.609 1.00 40.22 O ATOM 774 CG2 THR A 54 11.919 -16.410 21.156 1.00 34.35 C ATOM 0 H THR A 54 12.287 -13.098 19.671 1.00 72.51 H new ATOM 0 HA THR A 54 11.472 -15.742 18.655 1.00 4.05 H new ATOM 0 HB THR A 54 9.929 -15.778 20.710 1.00 13.43 H new ATOM 0 HG1 THR A 54 10.769 -14.543 22.517 1.00 40.22 H new ATOM 0 HG21 THR A 54 11.676 -16.728 22.170 1.00 34.35 H new ATOM 0 HG22 THR A 54 11.863 -17.266 20.484 1.00 34.35 H new ATOM 0 HG23 THR A 54 12.929 -16.000 21.137 1.00 34.35 H new ATOM 782 N SER A 55 9.748 -12.968 19.235 1.00 11.22 N ATOM 783 CA SER A 55 8.607 -12.180 18.783 1.00 4.30 C ATOM 784 C SER A 55 9.060 -11.040 17.875 1.00 21.13 C ATOM 785 O SER A 55 9.604 -10.040 18.341 1.00 43.34 O ATOM 786 CB SER A 55 7.841 -11.618 19.982 1.00 30.11 C ATOM 787 OG SER A 55 8.725 -11.038 20.926 1.00 54.12 O ATOM 0 H SER A 55 10.295 -12.531 19.976 1.00 11.22 H new ATOM 0 HA SER A 55 7.947 -12.835 18.214 1.00 4.30 H new ATOM 0 HB2 SER A 55 7.125 -10.870 19.642 1.00 30.11 H new ATOM 0 HB3 SER A 55 7.268 -12.414 20.457 1.00 30.11 H new ATOM 0 HG SER A 55 9.377 -10.474 20.460 1.00 54.12 H new ATOM 793 N GLY A 56 8.831 -11.200 16.575 1.00 33.24 N ATOM 794 CA GLY A 56 9.221 -10.178 15.622 1.00 72.11 C ATOM 795 C GLY A 56 8.053 -9.683 14.792 1.00 71.41 C ATOM 796 O GLY A 56 6.910 -9.692 15.250 1.00 75.12 O ATOM 0 H GLY A 56 8.382 -12.019 16.165 1.00 33.24 H new ATOM 0 HA2 GLY A 56 9.665 -9.338 16.156 1.00 72.11 H new ATOM 0 HA3 GLY A 56 9.990 -10.577 14.960 1.00 72.11 H new ATOM 800 N CYS A 57 8.340 -9.250 13.570 1.00 54.44 N ATOM 801 CA CYS A 57 7.304 -8.746 12.674 1.00 31.24 C ATOM 802 C CYS A 57 7.676 -8.997 11.217 1.00 44.33 C ATOM 803 O CYS A 57 8.759 -8.620 10.769 1.00 45.25 O ATOM 804 CB CYS A 57 7.082 -7.251 12.907 1.00 2.01 C ATOM 805 SG CYS A 57 8.566 -6.241 12.684 1.00 34.34 S ATOM 0 H CYS A 57 9.281 -9.237 13.176 1.00 54.44 H new ATOM 0 HA CYS A 57 6.379 -9.281 12.891 1.00 31.24 H new ATOM 0 HB2 CYS A 57 6.309 -6.898 12.224 1.00 2.01 H new ATOM 0 HB3 CYS A 57 6.704 -7.104 13.919 1.00 2.01 H new ATOM 0 HG CYS A 57 9.620 -6.953 12.952 1.00 34.34 H new ATOM 811 N TYR A 58 6.773 -9.636 10.482 1.00 31.14 N ATOM 812 CA TYR A 58 7.008 -9.941 9.076 1.00 21.01 C ATOM 813 C TYR A 58 5.988 -9.235 8.188 1.00 45.14 C ATOM 814 O TYR A 58 4.862 -8.967 8.607 1.00 23.23 O ATOM 815 CB TYR A 58 6.945 -11.451 8.843 1.00 63.44 C ATOM 816 CG TYR A 58 5.577 -11.944 8.427 1.00 3.53 C ATOM 817 CD1 TYR A 58 4.637 -12.324 9.377 1.00 54.24 C ATOM 818 CD2 TYR A 58 5.226 -12.029 7.086 1.00 74.21 C ATOM 819 CE1 TYR A 58 3.386 -12.775 9.002 1.00 53.20 C ATOM 820 CE2 TYR A 58 3.977 -12.478 6.702 1.00 13.52 C ATOM 821 CZ TYR A 58 3.060 -12.849 7.664 1.00 63.33 C ATOM 822 OH TYR A 58 1.816 -13.298 7.285 1.00 14.24 O ATOM 0 H TYR A 58 5.871 -9.953 10.837 1.00 31.14 H new ATOM 0 HA TYR A 58 8.003 -9.581 8.813 1.00 21.01 H new ATOM 0 HB2 TYR A 58 7.669 -11.722 8.074 1.00 63.44 H new ATOM 0 HB3 TYR A 58 7.244 -11.964 9.757 1.00 63.44 H new ATOM 0 HD1 TYR A 58 4.888 -12.266 10.426 1.00 54.24 H new ATOM 0 HD2 TYR A 58 5.941 -11.739 6.331 1.00 74.21 H new ATOM 0 HE1 TYR A 58 2.667 -13.068 9.753 1.00 53.20 H new ATOM 0 HE2 TYR A 58 3.720 -12.538 5.655 1.00 13.52 H new ATOM 0 HH TYR A 58 1.882 -13.752 6.419 1.00 14.24 H new ATOM 832 N TYR A 59 6.392 -8.937 6.958 1.00 53.34 N ATOM 833 CA TYR A 59 5.515 -8.260 6.009 1.00 62.21 C ATOM 834 C TYR A 59 4.377 -9.176 5.570 1.00 33.23 C ATOM 835 O TYR A 59 4.565 -10.066 4.741 1.00 42.12 O ATOM 836 CB TYR A 59 6.311 -7.797 4.788 1.00 63.03 C ATOM 837 CG TYR A 59 5.460 -7.149 3.720 1.00 54.31 C ATOM 838 CD1 TYR A 59 4.926 -5.879 3.904 1.00 31.35 C ATOM 839 CD2 TYR A 59 5.189 -7.806 2.526 1.00 43.44 C ATOM 840 CE1 TYR A 59 4.147 -5.284 2.932 1.00 54.32 C ATOM 841 CE2 TYR A 59 4.412 -7.217 1.547 1.00 62.03 C ATOM 842 CZ TYR A 59 3.893 -5.956 1.755 1.00 73.33 C ATOM 843 OH TYR A 59 3.118 -5.366 0.783 1.00 40.23 O ATOM 0 H TYR A 59 7.320 -9.153 6.595 1.00 53.34 H new ATOM 0 HA TYR A 59 5.086 -7.390 6.506 1.00 62.21 H new ATOM 0 HB2 TYR A 59 7.075 -7.090 5.110 1.00 63.03 H new ATOM 0 HB3 TYR A 59 6.830 -8.653 4.357 1.00 63.03 H new ATOM 0 HD1 TYR A 59 5.124 -5.348 4.824 1.00 31.35 H new ATOM 0 HD2 TYR A 59 5.593 -8.794 2.360 1.00 43.44 H new ATOM 0 HE1 TYR A 59 3.739 -4.297 3.093 1.00 54.32 H new ATOM 0 HE2 TYR A 59 4.212 -7.741 0.624 1.00 62.03 H new ATOM 0 HH TYR A 59 2.405 -4.843 1.206 1.00 40.23 H new ATOM 853 N SER A 60 3.194 -8.951 6.134 1.00 40.45 N ATOM 854 CA SER A 60 2.024 -9.757 5.804 1.00 3.41 C ATOM 855 C SER A 60 1.360 -9.253 4.527 1.00 54.43 C ATOM 856 O SER A 60 0.859 -8.129 4.476 1.00 33.12 O ATOM 857 CB SER A 60 1.021 -9.733 6.958 1.00 14.55 C ATOM 858 OG SER A 60 0.291 -8.518 6.975 1.00 52.15 O ATOM 0 H SER A 60 3.021 -8.218 6.821 1.00 40.45 H new ATOM 0 HA SER A 60 2.354 -10.783 5.640 1.00 3.41 H new ATOM 0 HB2 SER A 60 0.333 -10.573 6.863 1.00 14.55 H new ATOM 0 HB3 SER A 60 1.548 -9.858 7.904 1.00 14.55 H new ATOM 0 HG SER A 60 0.869 -7.785 6.678 1.00 52.15 H new ATOM 864 N ARG A 61 1.359 -10.092 3.496 1.00 24.24 N ATOM 865 CA ARG A 61 0.758 -9.733 2.218 1.00 51.40 C ATOM 866 C ARG A 61 -0.765 -9.720 2.318 1.00 44.11 C ATOM 867 O ARG A 61 -1.440 -9.011 1.571 1.00 22.43 O ATOM 868 CB ARG A 61 1.200 -10.712 1.129 1.00 41.42 C ATOM 869 CG ARG A 61 2.003 -10.061 0.014 1.00 12.22 C ATOM 870 CD ARG A 61 1.234 -8.919 -0.632 1.00 62.15 C ATOM 871 NE ARG A 61 1.246 -9.008 -2.090 1.00 45.52 N ATOM 872 CZ ARG A 61 0.584 -8.173 -2.883 1.00 13.53 C ATOM 873 NH1 ARG A 61 -0.140 -7.192 -2.361 1.00 2.32 N ATOM 874 NH2 ARG A 61 0.644 -8.318 -4.200 1.00 43.42 N ATOM 0 H ARG A 61 1.768 -11.026 3.522 1.00 24.24 H new ATOM 0 HA ARG A 61 1.096 -8.731 1.955 1.00 51.40 H new ATOM 0 HB2 ARG A 61 1.799 -11.501 1.583 1.00 41.42 H new ATOM 0 HB3 ARG A 61 0.318 -11.188 0.700 1.00 41.42 H new ATOM 0 HG2 ARG A 61 2.945 -9.686 0.414 1.00 12.22 H new ATOM 0 HG3 ARG A 61 2.251 -10.807 -0.741 1.00 12.22 H new ATOM 0 HD2 ARG A 61 0.204 -8.929 -0.277 1.00 62.15 H new ATOM 0 HD3 ARG A 61 1.669 -7.968 -0.323 1.00 62.15 H new ATOM 0 HE ARG A 61 1.793 -9.752 -2.523 1.00 45.52 H new ATOM 0 HH11 ARG A 61 -0.189 -7.078 -1.349 1.00 2.32 H new ATOM 0 HH12 ARG A 61 -0.648 -6.552 -2.972 1.00 2.32 H new ATOM 0 HH21 ARG A 61 1.199 -9.072 -4.605 1.00 43.42 H new ATOM 0 HH22 ARG A 61 0.135 -7.676 -4.807 1.00 43.42 H new ATOM 888 N SER A 62 -1.298 -10.509 3.245 1.00 53.11 N ATOM 889 CA SER A 62 -2.741 -10.592 3.440 1.00 51.12 C ATOM 890 C SER A 62 -3.293 -9.276 3.980 1.00 22.24 C ATOM 891 O SER A 62 -4.461 -8.946 3.770 1.00 44.34 O ATOM 892 CB SER A 62 -3.083 -11.734 4.399 1.00 44.31 C ATOM 893 OG SER A 62 -3.268 -12.951 3.697 1.00 2.04 O ATOM 0 H SER A 62 -0.753 -11.100 3.873 1.00 53.11 H new ATOM 0 HA SER A 62 -3.203 -10.790 2.473 1.00 51.12 H new ATOM 0 HB2 SER A 62 -2.283 -11.850 5.131 1.00 44.31 H new ATOM 0 HB3 SER A 62 -3.989 -11.489 4.953 1.00 44.31 H new ATOM 0 HG SER A 62 -2.711 -12.951 2.891 1.00 2.04 H new ATOM 899 N LEU A 63 -2.445 -8.529 4.679 1.00 41.05 N ATOM 900 CA LEU A 63 -2.846 -7.248 5.251 1.00 61.35 C ATOM 901 C LEU A 63 -2.034 -6.105 4.650 1.00 63.42 C ATOM 902 O LEU A 63 -2.202 -4.946 5.027 1.00 52.30 O ATOM 903 CB LEU A 63 -2.672 -7.269 6.770 1.00 23.21 C ATOM 904 CG LEU A 63 -3.404 -8.386 7.514 1.00 34.04 C ATOM 905 CD1 LEU A 63 -4.805 -8.572 6.953 1.00 54.11 C ATOM 906 CD2 LEU A 63 -2.618 -9.686 7.433 1.00 72.43 C ATOM 0 H LEU A 63 -1.476 -8.788 4.863 1.00 41.05 H new ATOM 0 HA LEU A 63 -3.897 -7.085 5.014 1.00 61.35 H new ATOM 0 HB2 LEU A 63 -1.608 -7.348 6.993 1.00 23.21 H new ATOM 0 HB3 LEU A 63 -3.011 -6.312 7.168 1.00 23.21 H new ATOM 0 HG LEU A 63 -3.490 -8.102 8.563 1.00 34.04 H new ATOM 0 HD11 LEU A 63 -5.311 -9.371 7.495 1.00 54.11 H new ATOM 0 HD12 LEU A 63 -5.368 -7.645 7.065 1.00 54.11 H new ATOM 0 HD13 LEU A 63 -4.742 -8.833 5.897 1.00 54.11 H new ATOM 0 HD21 LEU A 63 -3.154 -10.469 7.968 1.00 72.43 H new ATOM 0 HD22 LEU A 63 -2.500 -9.975 6.389 1.00 72.43 H new ATOM 0 HD23 LEU A 63 -1.636 -9.546 7.884 1.00 72.43 H new ATOM 918 N ASP A 64 -1.154 -6.441 3.712 1.00 13.43 N ATOM 919 CA ASP A 64 -0.318 -5.442 3.056 1.00 20.23 C ATOM 920 C ASP A 64 0.385 -4.561 4.085 1.00 75.32 C ATOM 921 O ASP A 64 0.322 -3.334 4.011 1.00 1.05 O ATOM 922 CB ASP A 64 -1.160 -4.578 2.117 1.00 53.03 C ATOM 923 CG ASP A 64 -0.318 -3.608 1.311 1.00 32.14 C ATOM 924 OD1 ASP A 64 0.923 -3.743 1.330 1.00 64.15 O ATOM 925 OD2 ASP A 64 -0.901 -2.715 0.662 1.00 3.43 O ATOM 0 H ASP A 64 -1.002 -7.397 3.389 1.00 13.43 H new ATOM 0 HA ASP A 64 0.440 -5.965 2.473 1.00 20.23 H new ATOM 0 HB2 ASP A 64 -1.717 -5.222 1.437 1.00 53.03 H new ATOM 0 HB3 ASP A 64 -1.893 -4.021 2.700 1.00 53.03 H new ATOM 930 N ARG A 65 1.052 -5.196 5.043 1.00 34.10 N ATOM 931 CA ARG A 65 1.764 -4.470 6.088 1.00 72.32 C ATOM 932 C ARG A 65 2.439 -5.436 7.058 1.00 75.05 C ATOM 933 O ARG A 65 2.055 -6.602 7.155 1.00 25.15 O ATOM 934 CB ARG A 65 0.803 -3.555 6.849 1.00 75.24 C ATOM 935 CG ARG A 65 -0.480 -4.245 7.282 1.00 34.42 C ATOM 936 CD ARG A 65 -0.676 -4.163 8.788 1.00 0.40 C ATOM 937 NE ARG A 65 -2.073 -4.352 9.170 1.00 62.12 N ATOM 938 CZ ARG A 65 -2.522 -4.202 10.411 1.00 55.34 C ATOM 939 NH1 ARG A 65 -1.690 -3.861 11.384 1.00 24.14 N ATOM 940 NH2 ARG A 65 -3.808 -4.392 10.679 1.00 1.54 N ATOM 0 H ARG A 65 1.114 -6.211 5.117 1.00 34.10 H new ATOM 0 HA ARG A 65 2.534 -3.862 5.613 1.00 72.32 H new ATOM 0 HB2 ARG A 65 1.310 -3.162 7.731 1.00 75.24 H new ATOM 0 HB3 ARG A 65 0.552 -2.702 6.219 1.00 75.24 H new ATOM 0 HG2 ARG A 65 -1.330 -3.785 6.778 1.00 34.42 H new ATOM 0 HG3 ARG A 65 -0.454 -5.290 6.974 1.00 34.42 H new ATOM 0 HD2 ARG A 65 -0.062 -4.920 9.275 1.00 0.40 H new ATOM 0 HD3 ARG A 65 -0.330 -3.193 9.146 1.00 0.40 H new ATOM 0 HE ARG A 65 -2.740 -4.613 8.444 1.00 62.12 H new ATOM 0 HH11 ARG A 65 -0.701 -3.713 11.181 1.00 24.14 H new ATOM 0 HH12 ARG A 65 -2.038 -3.747 12.336 1.00 24.14 H new ATOM 0 HH21 ARG A 65 -4.451 -4.653 9.932 1.00 1.54 H new ATOM 0 HH22 ARG A 65 -4.153 -4.277 11.632 1.00 1.54 H new ATOM 954 N TYR A 66 3.444 -4.943 7.771 1.00 4.13 N ATOM 955 CA TYR A 66 4.174 -5.763 8.731 1.00 4.51 C ATOM 956 C TYR A 66 3.302 -6.097 9.937 1.00 74.33 C ATOM 957 O TYR A 66 2.665 -5.219 10.519 1.00 11.20 O ATOM 958 CB TYR A 66 5.442 -5.040 9.190 1.00 22.20 C ATOM 959 CG TYR A 66 6.673 -5.412 8.394 1.00 52.11 C ATOM 960 CD1 TYR A 66 6.965 -4.778 7.193 1.00 54.54 C ATOM 961 CD2 TYR A 66 7.543 -6.398 8.842 1.00 10.22 C ATOM 962 CE1 TYR A 66 8.087 -5.114 6.461 1.00 23.23 C ATOM 963 CE2 TYR A 66 8.669 -6.740 8.118 1.00 13.24 C ATOM 964 CZ TYR A 66 8.936 -6.095 6.929 1.00 65.54 C ATOM 965 OH TYR A 66 10.056 -6.434 6.204 1.00 61.41 O ATOM 0 H TYR A 66 3.772 -3.980 7.703 1.00 4.13 H new ATOM 0 HA TYR A 66 4.452 -6.694 8.237 1.00 4.51 H new ATOM 0 HB2 TYR A 66 5.283 -3.964 9.116 1.00 22.20 H new ATOM 0 HB3 TYR A 66 5.618 -5.265 10.242 1.00 22.20 H new ATOM 0 HD1 TYR A 66 6.303 -4.008 6.825 1.00 54.54 H new ATOM 0 HD2 TYR A 66 7.336 -6.906 9.772 1.00 10.22 H new ATOM 0 HE1 TYR A 66 8.298 -4.612 5.528 1.00 23.23 H new ATOM 0 HE2 TYR A 66 9.336 -7.508 8.481 1.00 13.24 H new ATOM 0 HH TYR A 66 10.371 -5.652 5.704 1.00 61.41 H new ATOM 975 N ILE A 67 3.278 -7.374 10.306 1.00 42.44 N ATOM 976 CA ILE A 67 2.486 -7.825 11.443 1.00 73.25 C ATOM 977 C ILE A 67 3.359 -8.527 12.477 1.00 11.44 C ATOM 978 O ILE A 67 4.273 -9.282 12.146 1.00 51.35 O ATOM 979 CB ILE A 67 1.363 -8.782 11.001 1.00 32.43 C ATOM 980 CG1 ILE A 67 1.945 -10.145 10.618 1.00 1.53 C ATOM 981 CG2 ILE A 67 0.586 -8.186 9.837 1.00 34.32 C ATOM 982 CD1 ILE A 67 0.908 -11.126 10.118 1.00 4.03 C ATOM 0 H ILE A 67 3.798 -8.114 9.834 1.00 42.44 H new ATOM 0 HA ILE A 67 2.041 -6.936 11.891 1.00 73.25 H new ATOM 0 HB ILE A 67 0.677 -8.923 11.836 1.00 32.43 H new ATOM 0 HG12 ILE A 67 2.702 -10.004 9.846 1.00 1.53 H new ATOM 0 HG13 ILE A 67 2.449 -10.572 11.485 1.00 1.53 H new ATOM 0 HG21 ILE A 67 -0.204 -8.874 9.536 1.00 34.32 H new ATOM 0 HG22 ILE A 67 0.144 -7.237 10.142 1.00 34.32 H new ATOM 0 HG23 ILE A 67 1.260 -8.019 8.997 1.00 34.32 H new ATOM 0 HD11 ILE A 67 1.392 -12.070 9.865 1.00 4.03 H new ATOM 0 HD12 ILE A 67 0.164 -11.297 10.896 1.00 4.03 H new ATOM 0 HD13 ILE A 67 0.420 -10.720 9.232 1.00 4.03 H new ATOM 994 N PRO A 68 3.072 -8.274 13.763 1.00 55.01 N ATOM 995 CA PRO A 68 3.818 -8.873 14.873 1.00 35.34 C ATOM 996 C PRO A 68 3.556 -10.370 15.007 1.00 14.40 C ATOM 997 O PRO A 68 2.408 -10.802 15.115 1.00 1.02 O ATOM 998 CB PRO A 68 3.289 -8.126 16.100 1.00 34.22 C ATOM 999 CG PRO A 68 1.927 -7.668 15.707 1.00 51.24 C ATOM 1000 CD PRO A 68 1.996 -7.384 14.231 1.00 32.24 C ATOM 0 HA PRO A 68 4.896 -8.784 14.735 1.00 35.34 H new ATOM 0 HB2 PRO A 68 3.251 -8.777 16.974 1.00 34.22 H new ATOM 0 HB3 PRO A 68 3.931 -7.284 16.358 1.00 34.22 H new ATOM 0 HG2 PRO A 68 1.181 -8.432 15.923 1.00 51.24 H new ATOM 0 HG3 PRO A 68 1.640 -6.776 16.263 1.00 51.24 H new ATOM 0 HD2 PRO A 68 1.050 -7.602 13.735 1.00 32.24 H new ATOM 0 HD3 PRO A 68 2.226 -6.337 14.033 1.00 32.24 H new ATOM 1008 N VAL A 69 4.627 -11.156 14.999 1.00 21.32 N ATOM 1009 CA VAL A 69 4.513 -12.605 15.121 1.00 10.32 C ATOM 1010 C VAL A 69 5.489 -13.147 16.159 1.00 34.34 C ATOM 1011 O VAL A 69 6.386 -12.437 16.612 1.00 32.54 O ATOM 1012 CB VAL A 69 4.773 -13.304 13.774 1.00 41.34 C ATOM 1013 CG1 VAL A 69 3.834 -12.767 12.704 1.00 63.33 C ATOM 1014 CG2 VAL A 69 6.225 -13.131 13.356 1.00 45.43 C ATOM 0 H VAL A 69 5.584 -10.814 14.909 1.00 21.32 H new ATOM 0 HA VAL A 69 3.492 -12.816 15.440 1.00 10.32 H new ATOM 0 HB VAL A 69 4.578 -14.370 13.893 1.00 41.34 H new ATOM 0 HG11 VAL A 69 4.032 -13.273 11.759 1.00 63.33 H new ATOM 0 HG12 VAL A 69 2.801 -12.947 13.002 1.00 63.33 H new ATOM 0 HG13 VAL A 69 3.995 -11.696 12.583 1.00 63.33 H new ATOM 0 HG21 VAL A 69 6.391 -13.631 12.402 1.00 45.43 H new ATOM 0 HG22 VAL A 69 6.450 -12.069 13.253 1.00 45.43 H new ATOM 0 HG23 VAL A 69 6.876 -13.568 14.113 1.00 45.43 H new ATOM 1024 N GLU A 70 5.307 -14.411 16.531 1.00 14.43 N ATOM 1025 CA GLU A 70 6.172 -15.048 17.517 1.00 74.20 C ATOM 1026 C GLU A 70 6.514 -16.475 17.098 1.00 33.35 C ATOM 1027 O GLU A 70 5.632 -17.326 16.977 1.00 74.22 O ATOM 1028 CB GLU A 70 5.498 -15.056 18.891 1.00 52.43 C ATOM 1029 CG GLU A 70 6.379 -15.608 19.998 1.00 22.40 C ATOM 1030 CD GLU A 70 5.583 -16.063 21.206 1.00 73.14 C ATOM 1031 OE1 GLU A 70 4.470 -15.535 21.415 1.00 62.44 O ATOM 1032 OE2 GLU A 70 6.071 -16.946 21.941 1.00 4.33 O ATOM 0 H GLU A 70 4.569 -15.013 16.165 1.00 14.43 H new ATOM 0 HA GLU A 70 7.096 -14.473 17.577 1.00 74.20 H new ATOM 0 HB2 GLU A 70 5.202 -14.039 19.147 1.00 52.43 H new ATOM 0 HB3 GLU A 70 4.585 -15.649 18.835 1.00 52.43 H new ATOM 0 HG2 GLU A 70 6.958 -16.447 19.612 1.00 22.40 H new ATOM 0 HG3 GLU A 70 7.092 -14.843 20.305 1.00 22.40 H new ATOM 1039 N CYS A 71 7.799 -16.729 16.879 1.00 1.12 N ATOM 1040 CA CYS A 71 8.259 -18.052 16.473 1.00 72.22 C ATOM 1041 C CYS A 71 9.239 -18.624 17.492 1.00 42.12 C ATOM 1042 O CYS A 71 9.834 -17.886 18.276 1.00 10.32 O ATOM 1043 CB CYS A 71 8.918 -17.985 15.095 1.00 43.24 C ATOM 1044 SG CYS A 71 7.973 -17.050 13.869 1.00 3.10 S ATOM 0 H CYS A 71 8.541 -16.036 16.976 1.00 1.12 H new ATOM 0 HA CYS A 71 7.392 -18.711 16.421 1.00 72.22 H new ATOM 0 HB2 CYS A 71 9.905 -17.534 15.198 1.00 43.24 H new ATOM 0 HB3 CYS A 71 9.068 -19.000 14.726 1.00 43.24 H new ATOM 0 HG CYS A 71 8.774 -16.619 12.940 1.00 3.10 H new ATOM 1050 N GLU A 72 9.401 -19.943 17.474 1.00 34.34 N ATOM 1051 CA GLU A 72 10.307 -20.614 18.399 1.00 1.52 C ATOM 1052 C GLU A 72 11.518 -21.177 17.661 1.00 22.14 C ATOM 1053 O GLU A 72 11.383 -21.799 16.608 1.00 35.34 O ATOM 1054 CB GLU A 72 9.578 -21.738 19.138 1.00 1.54 C ATOM 1055 CG GLU A 72 8.680 -22.573 18.242 1.00 61.32 C ATOM 1056 CD GLU A 72 8.178 -23.830 18.927 1.00 42.42 C ATOM 1057 OE1 GLU A 72 8.612 -24.097 20.067 1.00 4.51 O ATOM 1058 OE2 GLU A 72 7.352 -24.546 18.323 1.00 2.54 O ATOM 0 H GLU A 72 8.917 -20.568 16.829 1.00 34.34 H new ATOM 0 HA GLU A 72 10.654 -19.879 19.125 1.00 1.52 H new ATOM 0 HB2 GLU A 72 10.314 -22.389 19.608 1.00 1.54 H new ATOM 0 HB3 GLU A 72 8.978 -21.305 19.938 1.00 1.54 H new ATOM 0 HG2 GLU A 72 7.828 -21.971 17.926 1.00 61.32 H new ATOM 0 HG3 GLU A 72 9.228 -22.849 17.341 1.00 61.32 H new ATOM 1065 N ALA A 73 12.702 -20.954 18.222 1.00 1.44 N ATOM 1066 CA ALA A 73 13.937 -21.440 17.620 1.00 40.44 C ATOM 1067 C ALA A 73 13.926 -22.959 17.494 1.00 33.32 C ATOM 1068 O ALA A 73 13.746 -23.673 18.482 1.00 54.51 O ATOM 1069 CB ALA A 73 15.138 -20.984 18.436 1.00 34.40 C ATOM 0 H ALA A 73 12.832 -20.439 19.093 1.00 1.44 H new ATOM 0 HA ALA A 73 14.013 -21.019 16.617 1.00 40.44 H new ATOM 0 HB1 ALA A 73 16.053 -21.354 17.974 1.00 34.40 H new ATOM 0 HB2 ALA A 73 15.163 -19.895 18.469 1.00 34.40 H new ATOM 0 HB3 ALA A 73 15.059 -21.376 19.450 1.00 34.40 H new ATOM 1075 N HIS A 74 14.118 -23.449 16.274 1.00 63.34 N ATOM 1076 CA HIS A 74 14.130 -24.885 16.019 1.00 30.54 C ATOM 1077 C HIS A 74 15.419 -25.303 15.318 1.00 2.41 C ATOM 1078 O HIS A 74 15.583 -25.083 14.118 1.00 64.01 O ATOM 1079 CB HIS A 74 12.922 -25.284 15.171 1.00 22.50 C ATOM 1080 CG HIS A 74 11.639 -25.332 15.941 1.00 14.33 C ATOM 1081 ND1 HIS A 74 11.563 -25.752 17.252 1.00 34.14 N ATOM 1082 CD2 HIS A 74 10.376 -25.007 15.578 1.00 12.53 C ATOM 1083 CE1 HIS A 74 10.308 -25.685 17.662 1.00 65.10 C ATOM 1084 NE2 HIS A 74 9.568 -25.235 16.665 1.00 20.20 N ATOM 0 H HIS A 74 14.268 -22.873 15.446 1.00 63.34 H new ATOM 0 HA HIS A 74 14.077 -25.399 16.979 1.00 30.54 H new ATOM 0 HB2 HIS A 74 12.816 -24.576 14.349 1.00 22.50 H new ATOM 0 HB3 HIS A 74 13.107 -26.263 14.728 1.00 22.50 H new ATOM 0 HD2 HIS A 74 10.062 -24.637 14.613 1.00 12.53 H new ATOM 0 HE1 HIS A 74 9.949 -25.953 18.645 1.00 65.10 H new ATOM 0 HE2 HIS A 74 8.560 -25.082 16.697 1.00 20.20 H new ATOM 1092 N ASP A 75 16.330 -25.904 16.075 1.00 45.02 N ATOM 1093 CA ASP A 75 17.605 -26.352 15.526 1.00 61.01 C ATOM 1094 C ASP A 75 17.393 -27.166 14.253 1.00 33.04 C ATOM 1095 O ASP A 75 18.246 -27.183 13.366 1.00 21.34 O ATOM 1096 CB ASP A 75 18.365 -27.186 16.559 1.00 75.11 C ATOM 1097 CG ASP A 75 18.797 -26.367 17.759 1.00 33.44 C ATOM 1098 OD1 ASP A 75 18.555 -25.142 17.760 1.00 3.14 O ATOM 1099 OD2 ASP A 75 19.376 -26.952 18.699 1.00 74.25 O ATOM 0 H ASP A 75 16.210 -26.092 17.070 1.00 45.02 H new ATOM 0 HA ASP A 75 18.195 -25.470 15.278 1.00 61.01 H new ATOM 0 HB2 ASP A 75 17.733 -28.009 16.893 1.00 75.11 H new ATOM 0 HB3 ASP A 75 19.244 -27.628 16.089 1.00 75.11 H new ATOM 1104 N TRP A 76 16.251 -27.839 14.172 1.00 71.31 N ATOM 1105 CA TRP A 76 15.927 -28.657 13.008 1.00 2.40 C ATOM 1106 C TRP A 76 14.500 -29.185 13.094 1.00 34.10 C ATOM 1107 O TRP A 76 14.035 -29.573 14.166 1.00 30.32 O ATOM 1108 CB TRP A 76 16.910 -29.823 12.889 1.00 54.21 C ATOM 1109 CG TRP A 76 16.767 -30.834 13.986 1.00 75.44 C ATOM 1110 CD1 TRP A 76 15.837 -31.832 14.065 1.00 53.54 C ATOM 1111 CD2 TRP A 76 17.578 -30.945 15.160 1.00 34.32 C ATOM 1112 NE1 TRP A 76 16.021 -32.556 15.218 1.00 51.33 N ATOM 1113 CE2 TRP A 76 17.083 -32.033 15.907 1.00 40.33 C ATOM 1114 CE3 TRP A 76 18.675 -30.234 15.653 1.00 55.50 C ATOM 1115 CZ2 TRP A 76 17.648 -32.422 17.118 1.00 0.33 C ATOM 1116 CZ3 TRP A 76 19.234 -30.621 16.856 1.00 51.32 C ATOM 1117 CH2 TRP A 76 18.721 -31.707 17.577 1.00 10.01 C ATOM 0 H TRP A 76 15.534 -27.835 14.898 1.00 71.31 H new ATOM 0 HA TRP A 76 16.009 -28.030 12.120 1.00 2.40 H new ATOM 0 HB2 TRP A 76 16.763 -30.316 11.928 1.00 54.21 H new ATOM 0 HB3 TRP A 76 17.928 -29.433 12.894 1.00 54.21 H new ATOM 0 HD1 TRP A 76 15.070 -32.024 13.329 1.00 53.54 H new ATOM 0 HE1 TRP A 76 15.458 -33.354 15.513 1.00 51.33 H new ATOM 0 HE3 TRP A 76 19.079 -29.397 15.104 1.00 55.50 H new ATOM 0 HZ2 TRP A 76 17.254 -33.259 17.676 1.00 0.33 H new ATOM 0 HZ3 TRP A 76 20.081 -30.077 17.247 1.00 51.32 H new ATOM 0 HH2 TRP A 76 19.181 -31.986 18.513 1.00 10.01 H new ATOM 1128 N TYR A 77 13.809 -29.198 11.960 1.00 53.44 N ATOM 1129 CA TYR A 77 12.433 -29.677 11.908 1.00 14.21 C ATOM 1130 C TYR A 77 12.182 -30.478 10.634 1.00 1.01 C ATOM 1131 O TYR A 77 12.773 -30.224 9.584 1.00 20.42 O ATOM 1132 CB TYR A 77 11.458 -28.501 11.984 1.00 14.41 C ATOM 1133 CG TYR A 77 10.624 -28.486 13.245 1.00 34.12 C ATOM 1134 CD1 TYR A 77 11.213 -28.299 14.489 1.00 32.14 C ATOM 1135 CD2 TYR A 77 9.246 -28.658 13.192 1.00 32.41 C ATOM 1136 CE1 TYR A 77 10.455 -28.286 15.644 1.00 14.11 C ATOM 1137 CE2 TYR A 77 8.479 -28.645 14.342 1.00 64.15 C ATOM 1138 CZ TYR A 77 9.088 -28.459 15.565 1.00 65.10 C ATOM 1139 OH TYR A 77 8.330 -28.445 16.713 1.00 75.22 O ATOM 0 H TYR A 77 14.179 -28.882 11.064 1.00 53.44 H new ATOM 0 HA TYR A 77 12.271 -30.331 12.765 1.00 14.21 H new ATOM 0 HB2 TYR A 77 12.020 -27.569 11.919 1.00 14.41 H new ATOM 0 HB3 TYR A 77 10.794 -28.534 11.120 1.00 14.41 H new ATOM 0 HD1 TYR A 77 12.282 -28.161 14.554 1.00 32.14 H new ATOM 0 HD2 TYR A 77 8.766 -28.804 12.236 1.00 32.41 H new ATOM 0 HE1 TYR A 77 10.929 -28.141 16.603 1.00 14.11 H new ATOM 0 HE2 TYR A 77 7.409 -28.780 14.283 1.00 64.15 H new ATOM 0 HH TYR A 77 7.387 -28.579 16.484 1.00 75.22 H new ATOM 1149 N PRO A 78 11.283 -31.469 10.727 1.00 25.41 N ATOM 1150 CA PRO A 78 10.932 -32.328 9.592 1.00 31.13 C ATOM 1151 C PRO A 78 10.143 -31.581 8.523 1.00 73.14 C ATOM 1152 O PRO A 78 9.191 -30.862 8.828 1.00 72.45 O ATOM 1153 CB PRO A 78 10.069 -33.421 10.228 1.00 12.33 C ATOM 1154 CG PRO A 78 9.496 -32.788 11.450 1.00 62.25 C ATOM 1155 CD PRO A 78 10.541 -31.828 11.947 1.00 11.11 C ATOM 0 HA PRO A 78 11.816 -32.708 9.079 1.00 31.13 H new ATOM 0 HB2 PRO A 78 9.284 -33.751 9.548 1.00 12.33 H new ATOM 0 HB3 PRO A 78 10.664 -34.299 10.479 1.00 12.33 H new ATOM 0 HG2 PRO A 78 8.566 -32.268 11.221 1.00 62.25 H new ATOM 0 HG3 PRO A 78 9.264 -33.538 12.206 1.00 62.25 H new ATOM 0 HD2 PRO A 78 10.092 -30.953 12.416 1.00 11.11 H new ATOM 0 HD3 PRO A 78 11.190 -32.290 12.691 1.00 11.11 H new ATOM 1163 N VAL A 79 10.544 -31.756 7.267 1.00 0.34 N ATOM 1164 CA VAL A 79 9.873 -31.099 6.152 1.00 70.11 C ATOM 1165 C VAL A 79 9.473 -32.107 5.081 1.00 63.35 C ATOM 1166 O VAL A 79 10.287 -32.489 4.240 1.00 32.20 O ATOM 1167 CB VAL A 79 10.768 -30.019 5.516 1.00 13.51 C ATOM 1168 CG1 VAL A 79 12.193 -30.528 5.361 1.00 35.03 C ATOM 1169 CG2 VAL A 79 10.201 -29.580 4.174 1.00 11.24 C ATOM 0 H VAL A 79 11.330 -32.347 6.997 1.00 0.34 H new ATOM 0 HA VAL A 79 8.977 -30.627 6.555 1.00 70.11 H new ATOM 0 HB VAL A 79 10.788 -29.153 6.178 1.00 13.51 H new ATOM 0 HG11 VAL A 79 12.810 -29.751 4.910 1.00 35.03 H new ATOM 0 HG12 VAL A 79 12.595 -30.788 6.340 1.00 35.03 H new ATOM 0 HG13 VAL A 79 12.197 -31.411 4.722 1.00 35.03 H new ATOM 0 HG21 VAL A 79 10.846 -28.817 3.739 1.00 11.24 H new ATOM 0 HG22 VAL A 79 10.149 -30.437 3.503 1.00 11.24 H new ATOM 0 HG23 VAL A 79 9.201 -29.171 4.318 1.00 11.24 H new ATOM 1179 N GLU A 80 8.215 -32.534 5.117 1.00 32.02 N ATOM 1180 CA GLU A 80 7.708 -33.499 4.149 1.00 55.13 C ATOM 1181 C GLU A 80 7.893 -32.988 2.723 1.00 45.31 C ATOM 1182 O GLU A 80 7.843 -31.784 2.473 1.00 13.12 O ATOM 1183 CB GLU A 80 6.228 -33.787 4.410 1.00 73.32 C ATOM 1184 CG GLU A 80 5.937 -34.234 5.833 1.00 74.35 C ATOM 1185 CD GLU A 80 5.610 -35.712 5.924 1.00 31.24 C ATOM 1186 OE1 GLU A 80 4.430 -36.073 5.733 1.00 51.43 O ATOM 1187 OE2 GLU A 80 6.535 -36.508 6.188 1.00 64.41 O ATOM 0 H GLU A 80 7.528 -32.227 5.806 1.00 32.02 H new ATOM 0 HA GLU A 80 8.277 -34.422 4.263 1.00 55.13 H new ATOM 0 HB2 GLU A 80 5.648 -32.890 4.194 1.00 73.32 H new ATOM 0 HB3 GLU A 80 5.889 -34.559 3.719 1.00 73.32 H new ATOM 0 HG2 GLU A 80 6.800 -34.017 6.462 1.00 74.35 H new ATOM 0 HG3 GLU A 80 5.102 -33.656 6.228 1.00 74.35 H new ATOM 1194 N GLU A 81 8.110 -33.912 1.792 1.00 35.34 N ATOM 1195 CA GLU A 81 8.305 -33.555 0.392 1.00 15.12 C ATOM 1196 C GLU A 81 7.076 -32.840 -0.163 1.00 72.31 C ATOM 1197 O GLU A 81 6.125 -33.477 -0.618 1.00 61.12 O ATOM 1198 CB GLU A 81 8.601 -34.805 -0.440 1.00 13.53 C ATOM 1199 CG GLU A 81 7.656 -35.961 -0.159 1.00 11.25 C ATOM 1200 CD GLU A 81 7.442 -36.847 -1.370 1.00 54.13 C ATOM 1201 OE1 GLU A 81 8.280 -36.803 -2.294 1.00 45.11 O ATOM 1202 OE2 GLU A 81 6.434 -37.585 -1.394 1.00 43.10 O ATOM 0 H GLU A 81 8.155 -34.913 1.982 1.00 35.34 H new ATOM 0 HA GLU A 81 9.157 -32.877 0.331 1.00 15.12 H new ATOM 0 HB2 GLU A 81 8.544 -34.549 -1.498 1.00 13.53 H new ATOM 0 HB3 GLU A 81 9.624 -35.127 -0.245 1.00 13.53 H new ATOM 0 HG2 GLU A 81 8.055 -36.561 0.659 1.00 11.25 H new ATOM 0 HG3 GLU A 81 6.695 -35.568 0.173 1.00 11.25 H new ATOM 1209 N THR A 82 7.102 -31.512 -0.122 1.00 1.31 N ATOM 1210 CA THR A 82 5.991 -30.710 -0.619 1.00 3.55 C ATOM 1211 C THR A 82 6.268 -29.220 -0.446 1.00 20.42 C ATOM 1212 O THR A 82 7.303 -28.831 0.094 1.00 63.50 O ATOM 1213 CB THR A 82 4.677 -31.063 0.102 1.00 12.24 C ATOM 1214 OG1 THR A 82 4.955 -31.821 1.285 1.00 70.22 O ATOM 1215 CG2 THR A 82 3.755 -31.857 -0.811 1.00 24.33 C ATOM 0 H THR A 82 7.881 -30.969 0.250 1.00 1.31 H new ATOM 0 HA THR A 82 5.887 -30.937 -1.680 1.00 3.55 H new ATOM 0 HB THR A 82 4.178 -30.134 0.376 1.00 12.24 H new ATOM 0 HG1 THR A 82 4.114 -32.040 1.738 1.00 70.22 H new ATOM 0 HG21 THR A 82 2.833 -32.095 -0.280 1.00 24.33 H new ATOM 0 HG22 THR A 82 3.521 -31.265 -1.696 1.00 24.33 H new ATOM 0 HG23 THR A 82 4.249 -32.781 -1.112 1.00 24.33 H new ATOM 1223 N GLN A 83 5.336 -28.393 -0.907 1.00 10.32 N ATOM 1224 CA GLN A 83 5.481 -26.946 -0.802 1.00 50.55 C ATOM 1225 C GLN A 83 6.613 -26.446 -1.695 1.00 35.13 C ATOM 1226 O GLN A 83 6.372 -25.896 -2.770 1.00 22.12 O ATOM 1227 CB GLN A 83 5.744 -26.541 0.649 1.00 20.52 C ATOM 1228 CG GLN A 83 4.594 -25.779 1.287 1.00 74.24 C ATOM 1229 CD GLN A 83 4.903 -24.307 1.476 1.00 32.20 C ATOM 1230 OE1 GLN A 83 5.562 -23.919 2.441 1.00 52.41 O ATOM 1231 NE2 GLN A 83 4.428 -23.479 0.554 1.00 54.35 N ATOM 0 H GLN A 83 4.473 -28.700 -1.356 1.00 10.32 H new ATOM 0 HA GLN A 83 4.550 -26.489 -1.136 1.00 50.55 H new ATOM 0 HB2 GLN A 83 5.945 -27.437 1.236 1.00 20.52 H new ATOM 0 HB3 GLN A 83 6.643 -25.925 0.688 1.00 20.52 H new ATOM 0 HG2 GLN A 83 3.705 -25.883 0.665 1.00 74.24 H new ATOM 0 HG3 GLN A 83 4.360 -26.224 2.254 1.00 74.24 H new ATOM 0 HE21 GLN A 83 3.887 -23.844 -0.229 1.00 54.35 H new ATOM 0 HE22 GLN A 83 4.604 -22.477 0.629 1.00 54.35 H new ATOM 1240 N TYR A 84 7.846 -26.641 -1.242 1.00 0.21 N ATOM 1241 CA TYR A 84 9.015 -26.208 -1.998 1.00 0.50 C ATOM 1242 C TYR A 84 10.279 -26.893 -1.488 1.00 33.14 C ATOM 1243 O TYR A 84 11.384 -26.370 -1.632 1.00 61.43 O ATOM 1244 CB TYR A 84 9.173 -24.689 -1.907 1.00 41.20 C ATOM 1245 CG TYR A 84 8.490 -23.941 -3.029 1.00 52.43 C ATOM 1246 CD1 TYR A 84 8.948 -24.040 -4.337 1.00 40.21 C ATOM 1247 CD2 TYR A 84 7.385 -23.135 -2.782 1.00 20.04 C ATOM 1248 CE1 TYR A 84 8.327 -23.357 -5.365 1.00 62.32 C ATOM 1249 CE2 TYR A 84 6.757 -22.450 -3.804 1.00 30.02 C ATOM 1250 CZ TYR A 84 7.232 -22.564 -5.094 1.00 0.04 C ATOM 1251 OH TYR A 84 6.610 -21.884 -6.115 1.00 51.42 O ATOM 0 H TYR A 84 8.062 -27.096 -0.355 1.00 0.21 H new ATOM 0 HA TYR A 84 8.866 -26.490 -3.040 1.00 0.50 H new ATOM 0 HB2 TYR A 84 8.769 -24.347 -0.954 1.00 41.20 H new ATOM 0 HB3 TYR A 84 10.235 -24.442 -1.910 1.00 41.20 H new ATOM 0 HD1 TYR A 84 9.804 -24.662 -4.554 1.00 40.21 H new ATOM 0 HD2 TYR A 84 7.011 -23.043 -1.773 1.00 20.04 H new ATOM 0 HE1 TYR A 84 8.697 -23.444 -6.376 1.00 62.32 H new ATOM 0 HE2 TYR A 84 5.899 -21.829 -3.594 1.00 30.02 H new ATOM 0 HH TYR A 84 5.855 -21.373 -5.755 1.00 51.42 H new ATOM 1261 N TYR A 85 10.107 -28.067 -0.890 1.00 74.03 N ATOM 1262 CA TYR A 85 11.232 -28.825 -0.356 1.00 72.12 C ATOM 1263 C TYR A 85 10.887 -30.307 -0.245 1.00 72.03 C ATOM 1264 O TYR A 85 9.760 -30.686 0.074 1.00 73.34 O ATOM 1265 CB TYR A 85 11.636 -28.280 1.015 1.00 61.23 C ATOM 1266 CG TYR A 85 12.512 -27.050 0.943 1.00 64.10 C ATOM 1267 CD1 TYR A 85 13.871 -27.155 0.670 1.00 74.21 C ATOM 1268 CD2 TYR A 85 11.982 -25.782 1.147 1.00 34.34 C ATOM 1269 CE1 TYR A 85 14.675 -26.034 0.604 1.00 32.02 C ATOM 1270 CE2 TYR A 85 12.778 -24.655 1.082 1.00 21.42 C ATOM 1271 CZ TYR A 85 14.124 -24.786 0.811 1.00 60.52 C ATOM 1272 OH TYR A 85 14.922 -23.667 0.745 1.00 74.02 O ATOM 0 H TYR A 85 9.199 -28.514 -0.763 1.00 74.03 H new ATOM 0 HA TYR A 85 12.070 -28.716 -1.044 1.00 72.12 H new ATOM 0 HB2 TYR A 85 10.736 -28.042 1.582 1.00 61.23 H new ATOM 0 HB3 TYR A 85 12.163 -29.059 1.566 1.00 61.23 H new ATOM 0 HD1 TYR A 85 14.306 -28.130 0.507 1.00 74.21 H new ATOM 0 HD2 TYR A 85 10.929 -25.676 1.360 1.00 34.34 H new ATOM 0 HE1 TYR A 85 15.729 -26.134 0.392 1.00 32.02 H new ATOM 0 HE2 TYR A 85 12.349 -23.677 1.242 1.00 21.42 H new ATOM 0 HH TYR A 85 15.733 -23.811 1.277 1.00 74.02 H new ATOM 1282 N PRO A 86 11.881 -31.167 -0.514 1.00 52.52 N ATOM 1283 CA PRO A 86 11.709 -32.621 -0.451 1.00 14.15 C ATOM 1284 C PRO A 86 11.531 -33.122 0.979 1.00 53.42 C ATOM 1285 O PRO A 86 11.418 -32.330 1.915 1.00 20.54 O ATOM 1286 CB PRO A 86 13.012 -33.159 -1.047 1.00 54.22 C ATOM 1287 CG PRO A 86 14.010 -32.079 -0.812 1.00 3.32 C ATOM 1288 CD PRO A 86 13.249 -30.785 -0.901 1.00 5.34 C ATOM 0 HA PRO A 86 10.815 -32.949 -0.981 1.00 14.15 H new ATOM 0 HB2 PRO A 86 13.314 -34.089 -0.565 1.00 54.22 H new ATOM 0 HB3 PRO A 86 12.903 -33.372 -2.110 1.00 54.22 H new ATOM 0 HG2 PRO A 86 14.481 -32.188 0.165 1.00 3.32 H new ATOM 0 HG3 PRO A 86 14.806 -32.115 -1.555 1.00 3.32 H new ATOM 0 HD2 PRO A 86 13.660 -30.030 -0.231 1.00 5.34 H new ATOM 0 HD3 PRO A 86 13.280 -30.369 -1.908 1.00 5.34 H new ATOM 1296 N LYS A 87 11.507 -34.440 1.140 1.00 34.21 N ATOM 1297 CA LYS A 87 11.344 -35.048 2.456 1.00 43.34 C ATOM 1298 C LYS A 87 12.689 -35.178 3.164 1.00 34.33 C ATOM 1299 O LYS A 87 13.559 -35.935 2.732 1.00 73.10 O ATOM 1300 CB LYS A 87 10.688 -36.424 2.327 1.00 73.10 C ATOM 1301 CG LYS A 87 9.942 -36.862 3.576 1.00 5.30 C ATOM 1302 CD LYS A 87 10.899 -37.322 4.664 1.00 52.44 C ATOM 1303 CE LYS A 87 10.784 -36.456 5.909 1.00 45.10 C ATOM 1304 NZ LYS A 87 10.874 -37.264 7.156 1.00 25.24 N ATOM 0 H LYS A 87 11.598 -35.109 0.375 1.00 34.21 H new ATOM 0 HA LYS A 87 10.700 -34.401 3.051 1.00 43.34 H new ATOM 0 HB2 LYS A 87 9.994 -36.409 1.486 1.00 73.10 H new ATOM 0 HB3 LYS A 87 11.455 -37.163 2.094 1.00 73.10 H new ATOM 0 HG2 LYS A 87 9.337 -36.035 3.948 1.00 5.30 H new ATOM 0 HG3 LYS A 87 9.257 -37.672 3.326 1.00 5.30 H new ATOM 0 HD2 LYS A 87 10.688 -38.360 4.921 1.00 52.44 H new ATOM 0 HD3 LYS A 87 11.922 -37.288 4.289 1.00 52.44 H new ATOM 0 HE2 LYS A 87 11.575 -35.706 5.904 1.00 45.10 H new ATOM 0 HE3 LYS A 87 9.836 -35.919 5.892 1.00 45.10 H new ATOM 0 HZ1 LYS A 87 10.791 -36.638 7.982 1.00 25.24 H new ATOM 0 HZ2 LYS A 87 10.104 -37.963 7.173 1.00 25.24 H new ATOM 0 HZ3 LYS A 87 11.790 -37.757 7.185 1.00 25.24 H new ATOM 1318 N HIS A 88 12.852 -34.437 4.256 1.00 73.42 N ATOM 1319 CA HIS A 88 14.090 -34.472 5.026 1.00 60.43 C ATOM 1320 C HIS A 88 14.007 -33.541 6.231 1.00 12.12 C ATOM 1321 O HIS A 88 12.931 -33.050 6.575 1.00 2.00 O ATOM 1322 CB HIS A 88 15.275 -34.079 4.143 1.00 22.14 C ATOM 1323 CG HIS A 88 16.474 -34.959 4.323 1.00 12.14 C ATOM 1324 ND1 HIS A 88 17.704 -34.482 4.726 1.00 74.31 N ATOM 1325 CD2 HIS A 88 16.626 -36.293 4.155 1.00 31.30 C ATOM 1326 CE1 HIS A 88 18.561 -35.485 4.796 1.00 73.25 C ATOM 1327 NE2 HIS A 88 17.932 -36.595 4.454 1.00 34.44 N ATOM 0 H HIS A 88 12.142 -33.805 4.627 1.00 73.42 H new ATOM 0 HA HIS A 88 14.237 -35.490 5.386 1.00 60.43 H new ATOM 0 HB2 HIS A 88 14.965 -34.110 3.098 1.00 22.14 H new ATOM 0 HB3 HIS A 88 15.555 -33.049 4.362 1.00 22.14 H new ATOM 0 HD2 HIS A 88 15.862 -36.990 3.844 1.00 31.30 H new ATOM 0 HE1 HIS A 88 19.599 -35.410 5.084 1.00 73.25 H new ATOM 0 HE2 HIS A 88 18.349 -37.525 4.418 1.00 34.44 H new ATOM 1335 N ILE A 89 15.148 -33.303 6.869 1.00 60.12 N ATOM 1336 CA ILE A 89 15.203 -32.431 8.035 1.00 3.42 C ATOM 1337 C ILE A 89 16.023 -31.178 7.746 1.00 4.22 C ATOM 1338 O ILE A 89 17.149 -31.261 7.255 1.00 74.11 O ATOM 1339 CB ILE A 89 15.807 -33.156 9.253 1.00 55.24 C ATOM 1340 CG1 ILE A 89 15.173 -34.539 9.415 1.00 13.14 C ATOM 1341 CG2 ILE A 89 15.612 -32.326 10.513 1.00 30.41 C ATOM 1342 CD1 ILE A 89 13.681 -34.495 9.664 1.00 43.41 C ATOM 0 H ILE A 89 16.047 -33.702 6.598 1.00 60.12 H new ATOM 0 HA ILE A 89 14.176 -32.146 8.264 1.00 3.42 H new ATOM 0 HB ILE A 89 16.877 -33.284 9.089 1.00 55.24 H new ATOM 0 HG12 ILE A 89 15.366 -35.126 8.517 1.00 13.14 H new ATOM 0 HG13 ILE A 89 15.656 -35.056 10.244 1.00 13.14 H new ATOM 0 HG21 ILE A 89 16.044 -32.851 11.365 1.00 30.41 H new ATOM 0 HG22 ILE A 89 16.105 -31.361 10.393 1.00 30.41 H new ATOM 0 HG23 ILE A 89 14.547 -32.170 10.685 1.00 30.41 H new ATOM 0 HD11 ILE A 89 13.300 -35.511 9.769 1.00 43.41 H new ATOM 0 HD12 ILE A 89 13.481 -33.936 10.578 1.00 43.41 H new ATOM 0 HD13 ILE A 89 13.186 -34.006 8.825 1.00 43.41 H new ATOM 1354 N GLN A 90 15.452 -30.019 8.056 1.00 11.42 N ATOM 1355 CA GLN A 90 16.131 -28.748 7.831 1.00 61.24 C ATOM 1356 C GLN A 90 16.813 -28.261 9.105 1.00 34.42 C ATOM 1357 O GLN A 90 16.727 -28.905 10.151 1.00 11.25 O ATOM 1358 CB GLN A 90 15.138 -27.696 7.335 1.00 12.33 C ATOM 1359 CG GLN A 90 14.927 -27.719 5.830 1.00 1.30 C ATOM 1360 CD GLN A 90 14.868 -26.329 5.228 1.00 55.23 C ATOM 1361 OE1 GLN A 90 15.678 -25.462 5.556 1.00 20.12 O ATOM 1362 NE2 GLN A 90 13.905 -26.109 4.340 1.00 13.20 N ATOM 0 H GLN A 90 14.521 -29.933 8.464 1.00 11.42 H new ATOM 0 HA GLN A 90 16.895 -28.903 7.069 1.00 61.24 H new ATOM 0 HB2 GLN A 90 14.179 -27.852 7.830 1.00 12.33 H new ATOM 0 HB3 GLN A 90 15.492 -26.708 7.629 1.00 12.33 H new ATOM 0 HG2 GLN A 90 15.736 -28.279 5.362 1.00 1.30 H new ATOM 0 HG3 GLN A 90 14.001 -28.248 5.605 1.00 1.30 H new ATOM 0 HE21 GLN A 90 13.255 -26.856 4.097 1.00 13.20 H new ATOM 0 HE22 GLN A 90 13.816 -25.193 3.901 1.00 13.20 H new ATOM 1371 N TYR A 91 17.489 -27.122 9.010 1.00 23.31 N ATOM 1372 CA TYR A 91 18.188 -26.551 10.155 1.00 41.40 C ATOM 1373 C TYR A 91 17.953 -25.046 10.241 1.00 42.43 C ATOM 1374 O TYR A 91 17.612 -24.402 9.249 1.00 32.14 O ATOM 1375 CB TYR A 91 19.687 -26.839 10.060 1.00 22.53 C ATOM 1376 CG TYR A 91 20.005 -28.250 9.618 1.00 4.02 C ATOM 1377 CD1 TYR A 91 19.569 -29.345 10.355 1.00 43.43 C ATOM 1378 CD2 TYR A 91 20.743 -28.488 8.465 1.00 33.21 C ATOM 1379 CE1 TYR A 91 19.858 -30.635 9.955 1.00 21.23 C ATOM 1380 CE2 TYR A 91 21.035 -29.775 8.057 1.00 31.32 C ATOM 1381 CZ TYR A 91 20.591 -30.845 8.806 1.00 73.33 C ATOM 1382 OH TYR A 91 20.881 -32.129 8.404 1.00 51.15 O ATOM 0 H TYR A 91 17.568 -26.576 8.152 1.00 23.31 H new ATOM 0 HA TYR A 91 17.792 -27.015 11.058 1.00 41.40 H new ATOM 0 HB2 TYR A 91 20.140 -26.137 9.360 1.00 22.53 H new ATOM 0 HB3 TYR A 91 20.145 -26.660 11.033 1.00 22.53 H new ATOM 0 HD1 TYR A 91 18.995 -29.184 11.255 1.00 43.43 H new ATOM 0 HD2 TYR A 91 21.094 -27.652 7.878 1.00 33.21 H new ATOM 0 HE1 TYR A 91 19.512 -31.475 10.539 1.00 21.23 H new ATOM 0 HE2 TYR A 91 21.608 -29.943 7.157 1.00 31.32 H new ATOM 0 HH TYR A 91 21.403 -32.102 7.575 1.00 51.15 H new ATOM 1392 N ASN A 92 18.140 -24.491 11.434 1.00 34.32 N ATOM 1393 CA ASN A 92 17.948 -23.062 11.651 1.00 4.13 C ATOM 1394 C ASN A 92 16.562 -22.622 11.191 1.00 33.43 C ATOM 1395 O ASN A 92 16.426 -21.864 10.230 1.00 13.03 O ATOM 1396 CB ASN A 92 19.021 -22.264 10.908 1.00 44.04 C ATOM 1397 CG ASN A 92 20.348 -22.997 10.846 1.00 52.43 C ATOM 1398 OD1 ASN A 92 20.641 -23.691 9.872 1.00 20.25 O ATOM 1399 ND2 ASN A 92 21.157 -22.844 11.888 1.00 73.43 N ATOM 0 H ASN A 92 18.424 -25.009 12.265 1.00 34.32 H new ATOM 0 HA ASN A 92 18.034 -22.868 12.720 1.00 4.13 H new ATOM 0 HB2 ASN A 92 18.677 -22.054 9.895 1.00 44.04 H new ATOM 0 HB3 ASN A 92 19.163 -21.303 11.402 1.00 44.04 H new ATOM 0 HD21 ASN A 92 22.063 -23.312 11.903 1.00 73.43 H new ATOM 0 HD22 ASN A 92 20.872 -22.259 12.673 1.00 73.43 H new ATOM 1406 N LEU A 93 15.535 -23.103 11.884 1.00 60.24 N ATOM 1407 CA LEU A 93 14.158 -22.760 11.547 1.00 14.13 C ATOM 1408 C LEU A 93 13.453 -22.110 12.734 1.00 21.20 C ATOM 1409 O LEU A 93 13.922 -22.195 13.870 1.00 15.41 O ATOM 1410 CB LEU A 93 13.393 -24.009 11.107 1.00 33.31 C ATOM 1411 CG LEU A 93 14.069 -24.869 10.039 1.00 45.01 C ATOM 1412 CD1 LEU A 93 13.812 -26.345 10.300 1.00 43.03 C ATOM 1413 CD2 LEU A 93 13.582 -24.478 8.652 1.00 54.34 C ATOM 0 H LEU A 93 15.630 -23.731 12.682 1.00 60.24 H new ATOM 0 HA LEU A 93 14.179 -22.046 10.724 1.00 14.13 H new ATOM 0 HB2 LEU A 93 13.215 -24.630 11.985 1.00 33.31 H new ATOM 0 HB3 LEU A 93 12.417 -23.700 10.732 1.00 33.31 H new ATOM 0 HG LEU A 93 15.144 -24.695 10.087 1.00 45.01 H new ATOM 0 HD11 LEU A 93 14.301 -26.941 9.530 1.00 43.03 H new ATOM 0 HD12 LEU A 93 14.211 -26.617 11.277 1.00 43.03 H new ATOM 0 HD13 LEU A 93 12.739 -26.536 10.281 1.00 43.03 H new ATOM 0 HD21 LEU A 93 14.074 -25.101 7.905 1.00 54.34 H new ATOM 0 HD22 LEU A 93 12.503 -24.622 8.591 1.00 54.34 H new ATOM 0 HD23 LEU A 93 13.819 -23.431 8.465 1.00 54.34 H new ATOM 1425 N LEU A 94 12.324 -21.464 12.464 1.00 44.03 N ATOM 1426 CA LEU A 94 11.553 -20.801 13.510 1.00 72.53 C ATOM 1427 C LEU A 94 10.058 -20.873 13.212 1.00 25.44 C ATOM 1428 O LEU A 94 9.553 -20.159 12.346 1.00 60.21 O ATOM 1429 CB LEU A 94 11.988 -19.341 13.644 1.00 31.13 C ATOM 1430 CG LEU A 94 13.008 -19.043 14.743 1.00 24.54 C ATOM 1431 CD1 LEU A 94 14.384 -18.800 14.143 1.00 62.14 C ATOM 1432 CD2 LEU A 94 12.566 -17.846 15.571 1.00 5.43 C ATOM 0 H LEU A 94 11.922 -21.385 11.530 1.00 44.03 H new ATOM 0 HA LEU A 94 11.743 -21.318 14.451 1.00 72.53 H new ATOM 0 HB2 LEU A 94 12.406 -19.018 12.691 1.00 31.13 H new ATOM 0 HB3 LEU A 94 11.101 -18.734 13.825 1.00 31.13 H new ATOM 0 HG LEU A 94 13.069 -19.911 15.400 1.00 24.54 H new ATOM 0 HD11 LEU A 94 15.097 -18.590 14.940 1.00 62.14 H new ATOM 0 HD12 LEU A 94 14.704 -19.686 13.595 1.00 62.14 H new ATOM 0 HD13 LEU A 94 14.339 -17.950 13.463 1.00 62.14 H new ATOM 0 HD21 LEU A 94 13.304 -17.649 16.348 1.00 5.43 H new ATOM 0 HD22 LEU A 94 12.475 -16.972 14.927 1.00 5.43 H new ATOM 0 HD23 LEU A 94 11.602 -18.059 16.032 1.00 5.43 H new ATOM 1444 N ILE A 95 9.357 -21.738 13.938 1.00 62.14 N ATOM 1445 CA ILE A 95 7.920 -21.900 13.754 1.00 64.35 C ATOM 1446 C ILE A 95 7.139 -21.020 14.723 1.00 42.10 C ATOM 1447 O ILE A 95 7.429 -20.985 15.918 1.00 44.20 O ATOM 1448 CB ILE A 95 7.490 -23.366 13.948 1.00 71.20 C ATOM 1449 CG1 ILE A 95 7.889 -24.203 12.731 1.00 73.40 C ATOM 1450 CG2 ILE A 95 5.990 -23.450 14.187 1.00 33.30 C ATOM 1451 CD1 ILE A 95 6.765 -24.398 11.737 1.00 21.31 C ATOM 0 H ILE A 95 9.761 -22.337 14.658 1.00 62.14 H new ATOM 0 HA ILE A 95 7.696 -21.597 12.731 1.00 64.35 H new ATOM 0 HB ILE A 95 8.001 -23.767 14.824 1.00 71.20 H new ATOM 0 HG12 ILE A 95 8.728 -23.722 12.229 1.00 73.40 H new ATOM 0 HG13 ILE A 95 8.237 -25.179 13.070 1.00 73.40 H new ATOM 0 HG21 ILE A 95 5.701 -24.492 14.322 1.00 33.30 H new ATOM 0 HG22 ILE A 95 5.732 -22.883 15.081 1.00 33.30 H new ATOM 0 HG23 ILE A 95 5.461 -23.035 13.329 1.00 33.30 H new ATOM 0 HD11 ILE A 95 7.119 -25.000 10.901 1.00 21.31 H new ATOM 0 HD12 ILE A 95 5.933 -24.907 12.224 1.00 21.31 H new ATOM 0 HD13 ILE A 95 6.432 -23.427 11.370 1.00 21.31 H new ATOM 1463 N GLY A 96 6.144 -20.310 14.199 1.00 20.32 N ATOM 1464 CA GLY A 96 5.335 -19.441 15.032 1.00 15.54 C ATOM 1465 C GLY A 96 3.852 -19.587 14.755 1.00 74.14 C ATOM 1466 O GLY A 96 3.407 -20.619 14.253 1.00 63.10 O ATOM 0 H GLY A 96 5.884 -20.322 13.213 1.00 20.32 H new ATOM 0 HA2 GLY A 96 5.529 -19.665 16.081 1.00 15.54 H new ATOM 0 HA3 GLY A 96 5.632 -18.405 14.867 1.00 15.54 H new ATOM 1470 N GLU A 97 3.084 -18.552 15.083 1.00 63.31 N ATOM 1471 CA GLU A 97 1.642 -18.573 14.867 1.00 3.25 C ATOM 1472 C GLU A 97 1.202 -17.384 14.018 1.00 63.13 C ATOM 1473 O GLU A 97 0.959 -16.294 14.534 1.00 74.30 O ATOM 1474 CB GLU A 97 0.904 -18.557 16.207 1.00 12.15 C ATOM 1475 CG GLU A 97 -0.509 -19.110 16.130 1.00 32.23 C ATOM 1476 CD GLU A 97 -1.277 -18.933 17.426 1.00 43.20 C ATOM 1477 OE1 GLU A 97 -0.891 -19.561 18.434 1.00 3.22 O ATOM 1478 OE2 GLU A 97 -2.263 -18.167 17.432 1.00 42.20 O ATOM 0 H GLU A 97 3.436 -17.690 15.499 1.00 63.31 H new ATOM 0 HA GLU A 97 1.393 -19.490 14.334 1.00 3.25 H new ATOM 0 HB2 GLU A 97 1.473 -19.138 16.933 1.00 12.15 H new ATOM 0 HB3 GLU A 97 0.865 -17.533 16.578 1.00 12.15 H new ATOM 0 HG2 GLU A 97 -1.046 -18.612 15.323 1.00 32.23 H new ATOM 0 HG3 GLU A 97 -0.467 -20.170 15.879 1.00 32.23 H new ATOM 1485 N GLY A 98 1.103 -17.603 12.710 1.00 64.21 N ATOM 1486 CA GLY A 98 0.694 -16.542 11.809 1.00 52.11 C ATOM 1487 C GLY A 98 -0.125 -17.056 10.642 1.00 73.13 C ATOM 1488 O GLY A 98 -0.179 -18.257 10.374 1.00 4.32 O ATOM 0 H GLY A 98 1.299 -18.497 12.259 1.00 64.21 H new ATOM 0 HA2 GLY A 98 0.111 -15.805 12.361 1.00 52.11 H new ATOM 0 HA3 GLY A 98 1.579 -16.030 11.430 1.00 52.11 H new ATOM 1492 N PRO A 99 -0.784 -16.134 9.924 1.00 34.15 N ATOM 1493 CA PRO A 99 -1.618 -16.478 8.769 1.00 40.55 C ATOM 1494 C PRO A 99 -0.791 -16.954 7.579 1.00 55.10 C ATOM 1495 O PRO A 99 0.114 -16.256 7.121 1.00 24.22 O ATOM 1496 CB PRO A 99 -2.324 -15.160 8.436 1.00 23.52 C ATOM 1497 CG PRO A 99 -1.417 -14.102 8.963 1.00 55.21 C ATOM 1498 CD PRO A 99 -0.766 -14.685 10.186 1.00 34.14 C ATOM 0 HA PRO A 99 -2.300 -17.299 8.989 1.00 40.55 H new ATOM 0 HB2 PRO A 99 -2.476 -15.052 7.362 1.00 23.52 H new ATOM 0 HB3 PRO A 99 -3.307 -15.108 8.904 1.00 23.52 H new ATOM 0 HG2 PRO A 99 -0.671 -13.822 8.220 1.00 55.21 H new ATOM 0 HG3 PRO A 99 -1.974 -13.199 9.211 1.00 55.21 H new ATOM 0 HD2 PRO A 99 0.250 -14.313 10.316 1.00 34.14 H new ATOM 0 HD3 PRO A 99 -1.316 -14.434 11.093 1.00 34.14 H new ATOM 1506 N CYS A 100 -1.109 -18.144 7.083 1.00 71.52 N ATOM 1507 CA CYS A 100 -0.395 -18.714 5.946 1.00 60.23 C ATOM 1508 C CYS A 100 -1.179 -18.510 4.653 1.00 1.35 C ATOM 1509 O CYS A 100 -2.405 -18.618 4.635 1.00 70.52 O ATOM 1510 CB CYS A 100 -0.141 -20.205 6.172 1.00 63.23 C ATOM 1511 SG CYS A 100 0.577 -21.056 4.747 1.00 74.14 S ATOM 0 H CYS A 100 -1.856 -18.733 7.450 1.00 71.52 H new ATOM 0 HA CYS A 100 0.562 -18.199 5.855 1.00 60.23 H new ATOM 0 HB2 CYS A 100 0.526 -20.324 7.026 1.00 63.23 H new ATOM 0 HB3 CYS A 100 -1.083 -20.688 6.433 1.00 63.23 H new ATOM 0 HG CYS A 100 0.372 -22.335 4.857 1.00 74.14 H new ATOM 1517 N VAL A 101 -0.463 -18.211 3.574 1.00 61.10 N ATOM 1518 CA VAL A 101 -1.091 -17.990 2.277 1.00 72.41 C ATOM 1519 C VAL A 101 -0.180 -18.441 1.141 1.00 22.30 C ATOM 1520 O VAL A 101 1.042 -18.498 1.278 1.00 64.12 O ATOM 1521 CB VAL A 101 -1.452 -16.507 2.073 1.00 2.11 C ATOM 1522 CG1 VAL A 101 -2.673 -16.136 2.900 1.00 54.32 C ATOM 1523 CG2 VAL A 101 -0.269 -15.618 2.426 1.00 22.10 C ATOM 0 H VAL A 101 0.553 -18.116 3.572 1.00 61.10 H new ATOM 0 HA VAL A 101 -2.005 -18.584 2.263 1.00 72.41 H new ATOM 0 HB VAL A 101 -1.694 -16.351 1.022 1.00 2.11 H new ATOM 0 HG11 VAL A 101 -2.913 -15.084 2.743 1.00 54.32 H new ATOM 0 HG12 VAL A 101 -3.520 -16.751 2.595 1.00 54.32 H new ATOM 0 HG13 VAL A 101 -2.463 -16.306 3.956 1.00 54.32 H new ATOM 0 HG21 VAL A 101 -0.541 -14.573 2.276 1.00 22.10 H new ATOM 0 HG22 VAL A 101 0.006 -15.775 3.469 1.00 22.10 H new ATOM 0 HG23 VAL A 101 0.577 -15.868 1.786 1.00 22.10 H new ATOM 1533 N PRO A 102 -0.786 -18.770 -0.009 1.00 53.33 N ATOM 1534 CA PRO A 102 -0.048 -19.221 -1.193 1.00 11.42 C ATOM 1535 C PRO A 102 0.767 -18.100 -1.829 1.00 25.20 C ATOM 1536 O PRO A 102 0.367 -17.525 -2.840 1.00 65.23 O ATOM 1537 CB PRO A 102 -1.153 -19.684 -2.145 1.00 34.31 C ATOM 1538 CG PRO A 102 -2.359 -18.913 -1.731 1.00 4.23 C ATOM 1539 CD PRO A 102 -2.240 -18.726 -0.243 1.00 45.35 C ATOM 0 HA PRO A 102 0.677 -19.998 -0.950 1.00 11.42 H new ATOM 0 HB2 PRO A 102 -0.891 -19.481 -3.183 1.00 34.31 H new ATOM 0 HB3 PRO A 102 -1.322 -20.758 -2.063 1.00 34.31 H new ATOM 0 HG2 PRO A 102 -2.402 -17.952 -2.243 1.00 4.23 H new ATOM 0 HG3 PRO A 102 -3.272 -19.451 -1.985 1.00 4.23 H new ATOM 0 HD2 PRO A 102 -2.670 -17.778 0.079 1.00 45.35 H new ATOM 0 HD3 PRO A 102 -2.759 -19.513 0.304 1.00 45.35 H new ATOM 1547 N GLY A 103 1.914 -17.795 -1.229 1.00 64.13 N ATOM 1548 CA GLY A 103 2.768 -16.745 -1.752 1.00 3.51 C ATOM 1549 C GLY A 103 3.457 -15.958 -0.655 1.00 0.53 C ATOM 1550 O GLY A 103 4.372 -15.178 -0.921 1.00 71.12 O ATOM 0 H GLY A 103 2.267 -18.256 -0.390 1.00 64.13 H new ATOM 0 HA2 GLY A 103 3.520 -17.185 -2.407 1.00 3.51 H new ATOM 0 HA3 GLY A 103 2.172 -16.066 -2.362 1.00 3.51 H new ATOM 1554 N ASP A 104 3.016 -16.160 0.582 1.00 2.20 N ATOM 1555 CA ASP A 104 3.596 -15.463 1.724 1.00 1.50 C ATOM 1556 C ASP A 104 5.100 -15.707 1.804 1.00 73.12 C ATOM 1557 O ASP A 104 5.838 -14.910 2.381 1.00 44.20 O ATOM 1558 CB ASP A 104 2.924 -15.916 3.021 1.00 55.13 C ATOM 1559 CG ASP A 104 2.360 -14.755 3.817 1.00 24.54 C ATOM 1560 OD1 ASP A 104 1.897 -13.777 3.194 1.00 20.14 O ATOM 1561 OD2 ASP A 104 2.382 -14.826 5.064 1.00 43.02 O ATOM 0 H ASP A 104 2.259 -16.801 0.819 1.00 2.20 H new ATOM 0 HA ASP A 104 3.426 -14.395 1.590 1.00 1.50 H new ATOM 0 HB2 ASP A 104 2.122 -16.615 2.786 1.00 55.13 H new ATOM 0 HB3 ASP A 104 3.648 -16.455 3.633 1.00 55.13 H new ATOM 1566 N ALA A 105 5.546 -16.815 1.221 1.00 35.34 N ATOM 1567 CA ALA A 105 6.961 -17.164 1.226 1.00 73.42 C ATOM 1568 C ALA A 105 7.817 -15.993 0.756 1.00 75.12 C ATOM 1569 O ALA A 105 7.657 -15.504 -0.362 1.00 14.24 O ATOM 1570 CB ALA A 105 7.206 -18.385 0.351 1.00 41.55 C ATOM 0 H ALA A 105 4.948 -17.486 0.739 1.00 35.34 H new ATOM 0 HA ALA A 105 7.248 -17.401 2.250 1.00 73.42 H new ATOM 0 HB1 ALA A 105 8.267 -18.635 0.364 1.00 41.55 H new ATOM 0 HB2 ALA A 105 6.630 -19.228 0.733 1.00 41.55 H new ATOM 0 HB3 ALA A 105 6.897 -18.168 -0.671 1.00 41.55 H new ATOM 1576 N GLY A 106 8.726 -15.547 1.617 1.00 31.03 N ATOM 1577 CA GLY A 106 9.593 -14.436 1.272 1.00 52.32 C ATOM 1578 C GLY A 106 9.412 -13.250 2.198 1.00 1.42 C ATOM 1579 O GLY A 106 10.110 -12.244 2.074 1.00 53.11 O ATOM 0 H GLY A 106 8.878 -15.936 2.548 1.00 31.03 H new ATOM 0 HA2 GLY A 106 10.632 -14.765 1.307 1.00 52.32 H new ATOM 0 HA3 GLY A 106 9.391 -14.126 0.247 1.00 52.32 H new ATOM 1583 N GLY A 107 8.471 -13.366 3.130 1.00 33.31 N ATOM 1584 CA GLY A 107 8.216 -12.287 4.066 1.00 31.13 C ATOM 1585 C GLY A 107 9.367 -12.070 5.028 1.00 44.33 C ATOM 1586 O GLY A 107 9.680 -12.939 5.841 1.00 22.51 O ATOM 0 H GLY A 107 7.881 -14.188 3.253 1.00 33.31 H new ATOM 0 HA2 GLY A 107 8.031 -11.366 3.513 1.00 31.13 H new ATOM 0 HA3 GLY A 107 7.310 -12.507 4.631 1.00 31.13 H new ATOM 1590 N LYS A 108 10.002 -10.906 4.935 1.00 61.13 N ATOM 1591 CA LYS A 108 11.126 -10.576 5.802 1.00 4.34 C ATOM 1592 C LYS A 108 10.661 -10.365 7.240 1.00 60.53 C ATOM 1593 O LYS A 108 9.801 -9.526 7.508 1.00 55.11 O ATOM 1594 CB LYS A 108 11.836 -9.318 5.296 1.00 51.03 C ATOM 1595 CG LYS A 108 12.453 -9.481 3.917 1.00 31.24 C ATOM 1596 CD LYS A 108 13.940 -9.169 3.932 1.00 70.44 C ATOM 1597 CE LYS A 108 14.771 -10.425 4.146 1.00 72.43 C ATOM 1598 NZ LYS A 108 15.027 -11.145 2.868 1.00 61.44 N ATOM 0 H LYS A 108 9.757 -10.175 4.267 1.00 61.13 H new ATOM 0 HA LYS A 108 11.824 -11.413 5.783 1.00 4.34 H new ATOM 0 HB2 LYS A 108 11.123 -8.494 5.271 1.00 51.03 H new ATOM 0 HB3 LYS A 108 12.617 -9.042 6.004 1.00 51.03 H new ATOM 0 HG2 LYS A 108 12.298 -10.501 3.566 1.00 31.24 H new ATOM 0 HG3 LYS A 108 11.949 -8.821 3.211 1.00 31.24 H new ATOM 0 HD2 LYS A 108 14.224 -8.700 2.990 1.00 70.44 H new ATOM 0 HD3 LYS A 108 14.154 -8.451 4.723 1.00 70.44 H new ATOM 0 HE2 LYS A 108 15.721 -10.157 4.609 1.00 72.43 H new ATOM 0 HE3 LYS A 108 14.254 -11.089 4.839 1.00 72.43 H new ATOM 0 HZ1 LYS A 108 15.679 -11.937 3.040 1.00 61.44 H new ATOM 0 HZ2 LYS A 108 14.130 -11.511 2.490 1.00 61.44 H new ATOM 0 HZ3 LYS A 108 15.451 -10.491 2.180 1.00 61.44 H new ATOM 1612 N LEU A 109 11.235 -11.131 8.161 1.00 64.44 N ATOM 1613 CA LEU A 109 10.880 -11.028 9.572 1.00 45.22 C ATOM 1614 C LEU A 109 11.887 -10.164 10.324 1.00 1.35 C ATOM 1615 O LEU A 109 13.041 -10.554 10.510 1.00 34.11 O ATOM 1616 CB LEU A 109 10.812 -12.419 10.204 1.00 11.02 C ATOM 1617 CG LEU A 109 10.415 -12.467 11.680 1.00 12.40 C ATOM 1618 CD1 LEU A 109 9.261 -11.514 11.953 1.00 4.25 C ATOM 1619 CD2 LEU A 109 10.045 -13.885 12.087 1.00 21.43 C ATOM 0 H LEU A 109 11.948 -11.830 7.956 1.00 64.44 H new ATOM 0 HA LEU A 109 9.900 -10.556 9.642 1.00 45.22 H new ATOM 0 HB2 LEU A 109 10.100 -13.019 9.637 1.00 11.02 H new ATOM 0 HB3 LEU A 109 11.787 -12.894 10.095 1.00 11.02 H new ATOM 0 HG LEU A 109 11.270 -12.151 12.277 1.00 12.40 H new ATOM 0 HD11 LEU A 109 8.992 -11.561 13.008 1.00 4.25 H new ATOM 0 HD12 LEU A 109 9.561 -10.497 11.700 1.00 4.25 H new ATOM 0 HD13 LEU A 109 8.402 -11.800 11.346 1.00 4.25 H new ATOM 0 HD21 LEU A 109 9.765 -13.900 13.140 1.00 21.43 H new ATOM 0 HD22 LEU A 109 9.205 -14.229 11.484 1.00 21.43 H new ATOM 0 HD23 LEU A 109 10.899 -14.543 11.929 1.00 21.43 H new ATOM 1631 N LEU A 110 11.443 -8.989 10.758 1.00 62.02 N ATOM 1632 CA LEU A 110 12.305 -8.070 11.493 1.00 14.52 C ATOM 1633 C LEU A 110 11.981 -8.095 12.984 1.00 42.34 C ATOM 1634 O LEU A 110 10.817 -8.179 13.376 1.00 41.30 O ATOM 1635 CB LEU A 110 12.148 -6.648 10.950 1.00 63.23 C ATOM 1636 CG LEU A 110 12.822 -6.365 9.606 1.00 30.35 C ATOM 1637 CD1 LEU A 110 11.780 -6.189 8.513 1.00 33.51 C ATOM 1638 CD2 LEU A 110 13.709 -5.133 9.704 1.00 52.52 C ATOM 0 H LEU A 110 10.492 -8.651 10.614 1.00 62.02 H new ATOM 0 HA LEU A 110 13.337 -8.392 11.358 1.00 14.52 H new ATOM 0 HB2 LEU A 110 11.084 -6.433 10.853 1.00 63.23 H new ATOM 0 HB3 LEU A 110 12.548 -5.952 11.688 1.00 63.23 H new ATOM 0 HG LEU A 110 13.448 -7.219 9.348 1.00 30.35 H new ATOM 0 HD11 LEU A 110 12.278 -5.988 7.564 1.00 33.51 H new ATOM 0 HD12 LEU A 110 11.187 -7.099 8.426 1.00 33.51 H new ATOM 0 HD13 LEU A 110 11.127 -5.353 8.764 1.00 33.51 H new ATOM 0 HD21 LEU A 110 14.180 -4.946 8.739 1.00 52.52 H new ATOM 0 HD22 LEU A 110 13.104 -4.271 9.985 1.00 52.52 H new ATOM 0 HD23 LEU A 110 14.479 -5.298 10.458 1.00 52.52 H new ATOM 1650 N CYS A 111 13.019 -8.019 13.810 1.00 31.42 N ATOM 1651 CA CYS A 111 12.847 -8.032 15.258 1.00 54.42 C ATOM 1652 C CYS A 111 13.393 -6.750 15.881 1.00 34.45 C ATOM 1653 O CYS A 111 13.696 -5.786 15.179 1.00 61.23 O ATOM 1654 CB CYS A 111 13.549 -9.247 15.866 1.00 71.43 C ATOM 1655 SG CYS A 111 15.360 -9.084 15.970 1.00 22.34 S ATOM 0 H CYS A 111 13.989 -7.948 13.501 1.00 31.42 H new ATOM 0 HA CYS A 111 11.780 -8.094 15.472 1.00 54.42 H new ATOM 0 HB2 CYS A 111 13.152 -9.419 16.867 1.00 71.43 H new ATOM 0 HB3 CYS A 111 13.308 -10.128 15.271 1.00 71.43 H new ATOM 0 HG CYS A 111 15.774 -9.561 17.106 1.00 22.34 H new ATOM 1660 N ARG A 112 13.515 -6.749 17.205 1.00 52.42 N ATOM 1661 CA ARG A 112 14.023 -5.586 17.924 1.00 62.55 C ATOM 1662 C ARG A 112 15.122 -4.891 17.125 1.00 55.23 C ATOM 1663 O ARG A 112 15.160 -3.663 17.041 1.00 53.24 O ATOM 1664 CB ARG A 112 14.560 -6.003 19.294 1.00 3.41 C ATOM 1665 CG ARG A 112 13.509 -6.630 20.195 1.00 24.51 C ATOM 1666 CD ARG A 112 12.440 -5.624 20.589 1.00 51.30 C ATOM 1667 NE ARG A 112 12.041 -5.767 21.987 1.00 62.44 N ATOM 1668 CZ ARG A 112 11.350 -4.849 22.652 1.00 55.24 C ATOM 1669 NH1 ARG A 112 10.982 -3.726 22.049 1.00 34.43 N ATOM 1670 NH2 ARG A 112 11.024 -5.052 23.922 1.00 61.22 N ATOM 0 H ARG A 112 13.269 -7.540 17.801 1.00 52.42 H new ATOM 0 HA ARG A 112 13.199 -4.886 18.062 1.00 62.55 H new ATOM 0 HB2 ARG A 112 15.376 -6.712 19.154 1.00 3.41 H new ATOM 0 HB3 ARG A 112 14.979 -5.129 19.792 1.00 3.41 H new ATOM 0 HG2 ARG A 112 13.045 -7.473 19.683 1.00 24.51 H new ATOM 0 HG3 ARG A 112 13.986 -7.025 21.092 1.00 24.51 H new ATOM 0 HD2 ARG A 112 12.813 -4.614 20.420 1.00 51.30 H new ATOM 0 HD3 ARG A 112 11.568 -5.753 19.948 1.00 51.30 H new ATOM 0 HE ARG A 112 12.308 -6.619 22.479 1.00 62.44 H new ATOM 0 HH11 ARG A 112 11.230 -3.567 21.073 1.00 34.43 H new ATOM 0 HH12 ARG A 112 10.451 -3.022 22.562 1.00 34.43 H new ATOM 0 HH21 ARG A 112 11.304 -5.914 24.389 1.00 61.22 H new ATOM 0 HH22 ARG A 112 10.493 -4.346 24.431 1.00 61.22 H new ATOM 1684 N HIS A 113 16.014 -5.684 16.540 1.00 73.00 N ATOM 1685 CA HIS A 113 17.113 -5.145 15.748 1.00 41.53 C ATOM 1686 C HIS A 113 16.702 -4.983 14.287 1.00 22.22 C ATOM 1687 O HIS A 113 16.713 -3.878 13.748 1.00 53.34 O ATOM 1688 CB HIS A 113 18.337 -6.056 15.848 1.00 52.33 C ATOM 1689 CG HIS A 113 18.347 -6.912 17.077 1.00 42.15 C ATOM 1690 ND1 HIS A 113 18.223 -6.401 18.351 1.00 4.41 N ATOM 1691 CD2 HIS A 113 18.466 -8.253 17.220 1.00 0.55 C ATOM 1692 CE1 HIS A 113 18.267 -7.389 19.226 1.00 23.40 C ATOM 1693 NE2 HIS A 113 18.414 -8.524 18.566 1.00 54.14 N ATOM 0 H HIS A 113 15.997 -6.702 16.600 1.00 73.00 H new ATOM 0 HA HIS A 113 17.367 -4.163 16.146 1.00 41.53 H new ATOM 0 HB2 HIS A 113 18.375 -6.698 14.968 1.00 52.33 H new ATOM 0 HB3 HIS A 113 19.238 -5.443 15.835 1.00 52.33 H new ATOM 0 HD2 HIS A 113 18.580 -8.975 16.425 1.00 0.55 H new ATOM 0 HE1 HIS A 113 18.195 -7.287 20.299 1.00 23.40 H new ATOM 0 HE2 HIS A 113 18.478 -9.451 18.987 1.00 54.14 H new ATOM 1701 N GLY A 114 16.341 -6.095 13.653 1.00 43.55 N ATOM 1702 CA GLY A 114 15.933 -6.055 12.260 1.00 1.55 C ATOM 1703 C GLY A 114 15.670 -7.435 11.694 1.00 74.43 C ATOM 1704 O GLY A 114 15.351 -8.367 12.432 1.00 30.33 O ATOM 0 H GLY A 114 16.324 -7.022 14.078 1.00 43.55 H new ATOM 0 HA2 GLY A 114 15.032 -5.449 12.166 1.00 1.55 H new ATOM 0 HA3 GLY A 114 16.709 -5.566 11.671 1.00 1.55 H new ATOM 1708 N VAL A 115 15.801 -7.568 10.378 1.00 71.25 N ATOM 1709 CA VAL A 115 15.574 -8.845 9.712 1.00 61.34 C ATOM 1710 C VAL A 115 16.324 -9.972 10.414 1.00 54.02 C ATOM 1711 O VAL A 115 17.482 -9.814 10.801 1.00 53.40 O ATOM 1712 CB VAL A 115 16.012 -8.794 8.236 1.00 73.23 C ATOM 1713 CG1 VAL A 115 15.956 -10.181 7.614 1.00 71.23 C ATOM 1714 CG2 VAL A 115 15.145 -7.816 7.457 1.00 72.30 C ATOM 0 H VAL A 115 16.063 -6.807 9.752 1.00 71.25 H new ATOM 0 HA VAL A 115 14.503 -9.040 9.759 1.00 61.34 H new ATOM 0 HB VAL A 115 17.043 -8.444 8.193 1.00 73.23 H new ATOM 0 HG11 VAL A 115 16.269 -10.125 6.571 1.00 71.23 H new ATOM 0 HG12 VAL A 115 16.623 -10.851 8.157 1.00 71.23 H new ATOM 0 HG13 VAL A 115 14.936 -10.563 7.667 1.00 71.23 H new ATOM 0 HG21 VAL A 115 15.468 -7.792 6.416 1.00 72.30 H new ATOM 0 HG22 VAL A 115 14.104 -8.134 7.506 1.00 72.30 H new ATOM 0 HG23 VAL A 115 15.241 -6.820 7.889 1.00 72.30 H new ATOM 1724 N ILE A 116 15.656 -11.109 10.574 1.00 34.34 N ATOM 1725 CA ILE A 116 16.259 -12.263 11.229 1.00 64.43 C ATOM 1726 C ILE A 116 15.955 -13.549 10.467 1.00 43.23 C ATOM 1727 O ILE A 116 16.376 -14.634 10.866 1.00 44.35 O ATOM 1728 CB ILE A 116 15.764 -12.411 12.680 1.00 45.33 C ATOM 1729 CG1 ILE A 116 14.264 -12.709 12.702 1.00 60.41 C ATOM 1730 CG2 ILE A 116 16.071 -11.150 13.474 1.00 20.14 C ATOM 1731 CD1 ILE A 116 13.639 -12.562 14.071 1.00 12.05 C ATOM 0 H ILE A 116 14.697 -11.256 10.259 1.00 34.34 H new ATOM 0 HA ILE A 116 17.336 -12.093 11.237 1.00 64.43 H new ATOM 0 HB ILE A 116 16.288 -13.247 13.144 1.00 45.33 H new ATOM 0 HG12 ILE A 116 13.758 -12.039 12.007 1.00 60.41 H new ATOM 0 HG13 ILE A 116 14.098 -13.725 12.343 1.00 60.41 H new ATOM 0 HG21 ILE A 116 15.716 -11.269 14.498 1.00 20.14 H new ATOM 0 HG22 ILE A 116 17.147 -10.978 13.481 1.00 20.14 H new ATOM 0 HG23 ILE A 116 15.570 -10.299 13.013 1.00 20.14 H new ATOM 0 HD11 ILE A 116 12.574 -12.788 14.011 1.00 12.05 H new ATOM 0 HD12 ILE A 116 14.118 -13.252 14.766 1.00 12.05 H new ATOM 0 HD13 ILE A 116 13.773 -11.540 14.424 1.00 12.05 H new ATOM 1743 N GLY A 117 15.222 -13.418 9.365 1.00 34.25 N ATOM 1744 CA GLY A 117 14.875 -14.577 8.563 1.00 12.14 C ATOM 1745 C GLY A 117 13.727 -14.301 7.612 1.00 25.10 C ATOM 1746 O GLY A 117 13.105 -13.240 7.670 1.00 5.05 O ATOM 0 H GLY A 117 14.863 -12.530 9.014 1.00 34.25 H new ATOM 0 HA2 GLY A 117 15.748 -14.894 7.992 1.00 12.14 H new ATOM 0 HA3 GLY A 117 14.607 -15.403 9.221 1.00 12.14 H new ATOM 1750 N ILE A 118 13.447 -15.257 6.733 1.00 63.03 N ATOM 1751 CA ILE A 118 12.368 -15.111 5.764 1.00 34.15 C ATOM 1752 C ILE A 118 11.467 -16.342 5.755 1.00 3.14 C ATOM 1753 O ILE A 118 11.931 -17.464 5.963 1.00 13.33 O ATOM 1754 CB ILE A 118 12.913 -14.878 4.343 1.00 4.44 C ATOM 1755 CG1 ILE A 118 13.785 -16.058 3.908 1.00 53.40 C ATOM 1756 CG2 ILE A 118 13.704 -13.579 4.286 1.00 12.03 C ATOM 1757 CD1 ILE A 118 13.081 -17.016 2.973 1.00 52.21 C ATOM 0 H ILE A 118 13.952 -16.141 6.672 1.00 63.03 H new ATOM 0 HA ILE A 118 11.788 -14.240 6.068 1.00 34.15 H new ATOM 0 HB ILE A 118 12.071 -14.799 3.655 1.00 4.44 H new ATOM 0 HG12 ILE A 118 14.681 -15.676 3.418 1.00 53.40 H new ATOM 0 HG13 ILE A 118 14.114 -16.602 4.793 1.00 53.40 H new ATOM 0 HG21 ILE A 118 14.083 -13.428 3.275 1.00 12.03 H new ATOM 0 HG22 ILE A 118 13.056 -12.746 4.559 1.00 12.03 H new ATOM 0 HG23 ILE A 118 14.540 -13.631 4.983 1.00 12.03 H new ATOM 0 HD11 ILE A 118 13.758 -17.827 2.706 1.00 52.21 H new ATOM 0 HD12 ILE A 118 12.201 -17.426 3.468 1.00 52.21 H new ATOM 0 HD13 ILE A 118 12.776 -16.486 2.071 1.00 52.21 H new ATOM 1769 N ILE A 119 10.179 -16.124 5.511 1.00 25.35 N ATOM 1770 CA ILE A 119 9.215 -17.216 5.472 1.00 32.31 C ATOM 1771 C ILE A 119 9.672 -18.319 4.524 1.00 74.44 C ATOM 1772 O ILE A 119 9.940 -18.071 3.348 1.00 70.55 O ATOM 1773 CB ILE A 119 7.823 -16.723 5.035 1.00 41.51 C ATOM 1774 CG1 ILE A 119 7.507 -15.376 5.689 1.00 51.12 C ATOM 1775 CG2 ILE A 119 6.760 -17.752 5.389 1.00 24.01 C ATOM 1776 CD1 ILE A 119 6.044 -14.999 5.620 1.00 75.42 C ATOM 0 H ILE A 119 9.780 -15.202 5.338 1.00 25.35 H new ATOM 0 HA ILE A 119 9.149 -17.615 6.484 1.00 32.31 H new ATOM 0 HB ILE A 119 7.825 -16.590 3.953 1.00 41.51 H new ATOM 0 HG12 ILE A 119 7.817 -15.407 6.734 1.00 51.12 H new ATOM 0 HG13 ILE A 119 8.097 -14.599 5.204 1.00 51.12 H new ATOM 0 HG21 ILE A 119 5.782 -17.388 5.074 1.00 24.01 H new ATOM 0 HG22 ILE A 119 6.979 -18.691 4.881 1.00 24.01 H new ATOM 0 HG23 ILE A 119 6.756 -17.915 6.467 1.00 24.01 H new ATOM 0 HD11 ILE A 119 5.894 -14.033 6.103 1.00 75.42 H new ATOM 0 HD12 ILE A 119 5.733 -14.935 4.577 1.00 75.42 H new ATOM 0 HD13 ILE A 119 5.449 -15.756 6.130 1.00 75.42 H new ATOM 1788 N THR A 120 9.757 -19.541 5.042 1.00 14.31 N ATOM 1789 CA THR A 120 10.180 -20.683 4.242 1.00 0.11 C ATOM 1790 C THR A 120 9.108 -21.766 4.219 1.00 14.01 C ATOM 1791 O THR A 120 8.974 -22.500 3.240 1.00 22.05 O ATOM 1792 CB THR A 120 11.492 -21.287 4.776 1.00 24.21 C ATOM 1793 OG1 THR A 120 11.900 -22.383 3.949 1.00 53.44 O ATOM 1794 CG2 THR A 120 11.324 -21.764 6.211 1.00 63.02 C ATOM 0 H THR A 120 9.538 -19.764 6.013 1.00 14.31 H new ATOM 0 HA THR A 120 10.343 -20.316 3.229 1.00 0.11 H new ATOM 0 HB THR A 120 12.258 -20.511 4.755 1.00 24.21 H new ATOM 0 HG1 THR A 120 12.736 -22.760 4.295 1.00 53.44 H new ATOM 0 HG21 THR A 120 12.264 -22.187 6.566 1.00 63.02 H new ATOM 0 HG22 THR A 120 11.043 -20.922 6.844 1.00 63.02 H new ATOM 0 HG23 THR A 120 10.545 -22.525 6.253 1.00 63.02 H new ATOM 1802 N ALA A 121 8.344 -21.860 5.303 1.00 4.42 N ATOM 1803 CA ALA A 121 7.281 -22.852 5.406 1.00 44.43 C ATOM 1804 C ALA A 121 6.015 -22.240 5.994 1.00 14.02 C ATOM 1805 O ALA A 121 6.078 -21.316 6.804 1.00 30.10 O ATOM 1806 CB ALA A 121 7.741 -24.032 6.249 1.00 73.13 C ATOM 0 H ALA A 121 8.442 -21.261 6.122 1.00 4.42 H new ATOM 0 HA ALA A 121 7.049 -23.206 4.402 1.00 44.43 H new ATOM 0 HB1 ALA A 121 6.937 -24.765 6.318 1.00 73.13 H new ATOM 0 HB2 ALA A 121 8.614 -24.492 5.785 1.00 73.13 H new ATOM 0 HB3 ALA A 121 8.002 -23.685 7.249 1.00 73.13 H new ATOM 1812 N GLY A 122 4.864 -22.762 5.581 1.00 55.44 N ATOM 1813 CA GLY A 122 3.598 -22.253 6.077 1.00 60.32 C ATOM 1814 C GLY A 122 2.527 -23.324 6.137 1.00 32.11 C ATOM 1815 O GLY A 122 2.355 -24.094 5.193 1.00 22.33 O ATOM 0 H GLY A 122 4.785 -23.528 4.912 1.00 55.44 H new ATOM 0 HA2 GLY A 122 3.744 -21.833 7.072 1.00 60.32 H new ATOM 0 HA3 GLY A 122 3.260 -21.440 5.434 1.00 60.32 H new ATOM 1819 N GLY A 123 1.804 -23.374 7.252 1.00 23.32 N ATOM 1820 CA GLY A 123 0.755 -24.364 7.412 1.00 14.41 C ATOM 1821 C GLY A 123 -0.497 -23.784 8.041 1.00 21.53 C ATOM 1822 O GLY A 123 -0.826 -22.618 7.825 1.00 3.24 O ATOM 0 H GLY A 123 1.926 -22.747 8.047 1.00 23.32 H new ATOM 0 HA2 GLY A 123 0.507 -24.787 6.438 1.00 14.41 H new ATOM 0 HA3 GLY A 123 1.123 -25.183 8.030 1.00 14.41 H new ATOM 1826 N ASP A 124 -1.198 -24.601 8.820 1.00 23.12 N ATOM 1827 CA ASP A 124 -2.421 -24.163 9.482 1.00 30.55 C ATOM 1828 C ASP A 124 -2.103 -23.432 10.783 1.00 31.31 C ATOM 1829 O ASP A 124 -1.727 -24.050 11.778 1.00 34.05 O ATOM 1830 CB ASP A 124 -3.330 -25.361 9.765 1.00 3.20 C ATOM 1831 CG ASP A 124 -4.792 -24.970 9.852 1.00 20.13 C ATOM 1832 OD1 ASP A 124 -5.327 -24.449 8.852 1.00 72.45 O ATOM 1833 OD2 ASP A 124 -5.401 -25.184 10.922 1.00 61.14 O ATOM 0 H ASP A 124 -0.940 -25.570 9.008 1.00 23.12 H new ATOM 0 HA ASP A 124 -2.939 -23.473 8.816 1.00 30.55 H new ATOM 0 HB2 ASP A 124 -3.202 -26.105 8.978 1.00 3.20 H new ATOM 0 HB3 ASP A 124 -3.026 -25.831 10.700 1.00 3.20 H new ATOM 1838 N GLY A 125 -2.256 -22.112 10.766 1.00 3.53 N ATOM 1839 CA GLY A 125 -1.980 -21.318 11.949 1.00 5.25 C ATOM 1840 C GLY A 125 -0.539 -21.440 12.406 1.00 34.15 C ATOM 1841 O GLY A 125 -0.209 -21.095 13.541 1.00 11.34 O ATOM 0 H GLY A 125 -2.566 -21.578 9.954 1.00 3.53 H new ATOM 0 HA2 GLY A 125 -2.205 -20.272 11.741 1.00 5.25 H new ATOM 0 HA3 GLY A 125 -2.642 -21.632 12.756 1.00 5.25 H new ATOM 1845 N HIS A 126 0.321 -21.935 11.522 1.00 53.43 N ATOM 1846 CA HIS A 126 1.734 -22.103 11.841 1.00 11.20 C ATOM 1847 C HIS A 126 2.612 -21.616 10.692 1.00 21.22 C ATOM 1848 O HIS A 126 2.564 -22.159 9.588 1.00 44.50 O ATOM 1849 CB HIS A 126 2.039 -23.570 12.145 1.00 14.13 C ATOM 1850 CG HIS A 126 1.758 -23.958 13.564 1.00 21.04 C ATOM 1851 ND1 HIS A 126 2.263 -23.269 14.647 1.00 55.31 N ATOM 1852 CD2 HIS A 126 1.019 -24.970 14.076 1.00 61.11 C ATOM 1853 CE1 HIS A 126 1.847 -23.841 15.763 1.00 43.02 C ATOM 1854 NE2 HIS A 126 1.091 -24.876 15.444 1.00 53.40 N ATOM 0 H HIS A 126 0.064 -22.227 10.579 1.00 53.43 H new ATOM 0 HA HIS A 126 1.956 -21.503 12.724 1.00 11.20 H new ATOM 0 HB2 HIS A 126 1.448 -24.201 11.481 1.00 14.13 H new ATOM 0 HB3 HIS A 126 3.088 -23.768 11.924 1.00 14.13 H new ATOM 0 HD1 HIS A 126 2.864 -22.446 14.594 1.00 55.31 H new ATOM 0 HD2 HIS A 126 0.474 -25.713 13.513 1.00 61.11 H new ATOM 0 HE1 HIS A 126 2.085 -23.517 16.766 1.00 43.02 H new ATOM 1862 N VAL A 127 3.413 -20.590 10.960 1.00 41.44 N ATOM 1863 CA VAL A 127 4.302 -20.030 9.949 1.00 62.04 C ATOM 1864 C VAL A 127 5.764 -20.219 10.337 1.00 22.41 C ATOM 1865 O VAL A 127 6.202 -19.756 11.389 1.00 5.33 O ATOM 1866 CB VAL A 127 4.031 -18.530 9.731 1.00 55.33 C ATOM 1867 CG1 VAL A 127 4.119 -17.774 11.048 1.00 71.02 C ATOM 1868 CG2 VAL A 127 5.002 -17.955 8.711 1.00 61.42 C ATOM 0 H VAL A 127 3.465 -20.130 11.869 1.00 41.44 H new ATOM 0 HA VAL A 127 4.103 -20.566 9.021 1.00 62.04 H new ATOM 0 HB VAL A 127 3.020 -18.415 9.340 1.00 55.33 H new ATOM 0 HG11 VAL A 127 3.925 -16.716 10.874 1.00 71.02 H new ATOM 0 HG12 VAL A 127 3.379 -18.169 11.744 1.00 71.02 H new ATOM 0 HG13 VAL A 127 5.116 -17.895 11.471 1.00 71.02 H new ATOM 0 HG21 VAL A 127 4.795 -16.894 8.570 1.00 61.42 H new ATOM 0 HG22 VAL A 127 6.024 -18.081 9.070 1.00 61.42 H new ATOM 0 HG23 VAL A 127 4.884 -18.477 7.762 1.00 61.42 H new ATOM 1878 N ALA A 128 6.515 -20.904 9.480 1.00 54.32 N ATOM 1879 CA ALA A 128 7.929 -21.152 9.732 1.00 74.42 C ATOM 1880 C ALA A 128 8.807 -20.309 8.813 1.00 35.33 C ATOM 1881 O ALA A 128 8.425 -20.001 7.684 1.00 33.01 O ATOM 1882 CB ALA A 128 8.244 -22.630 9.556 1.00 30.51 C ATOM 0 H ALA A 128 6.167 -21.297 8.605 1.00 54.32 H new ATOM 0 HA ALA A 128 8.145 -20.865 10.761 1.00 74.42 H new ATOM 0 HB1 ALA A 128 9.303 -22.802 9.747 1.00 30.51 H new ATOM 0 HB2 ALA A 128 7.649 -23.215 10.258 1.00 30.51 H new ATOM 0 HB3 ALA A 128 8.005 -22.934 8.537 1.00 30.51 H new ATOM 1888 N PHE A 129 9.984 -19.939 9.305 1.00 43.44 N ATOM 1889 CA PHE A 129 10.916 -19.129 8.528 1.00 21.20 C ATOM 1890 C PHE A 129 12.357 -19.557 8.790 1.00 22.10 C ATOM 1891 O PHE A 129 12.671 -20.115 9.842 1.00 35.12 O ATOM 1892 CB PHE A 129 10.743 -17.647 8.867 1.00 74.30 C ATOM 1893 CG PHE A 129 11.456 -17.232 10.122 1.00 41.23 C ATOM 1894 CD1 PHE A 129 12.827 -17.033 10.121 1.00 43.51 C ATOM 1895 CD2 PHE A 129 10.756 -17.040 11.302 1.00 53.14 C ATOM 1896 CE1 PHE A 129 13.486 -16.651 11.274 1.00 3.03 C ATOM 1897 CE2 PHE A 129 11.409 -16.658 12.458 1.00 2.11 C ATOM 1898 CZ PHE A 129 12.776 -16.462 12.444 1.00 63.20 C ATOM 0 H PHE A 129 10.316 -20.187 10.237 1.00 43.44 H new ATOM 0 HA PHE A 129 10.696 -19.281 7.471 1.00 21.20 H new ATOM 0 HB2 PHE A 129 11.110 -17.047 8.035 1.00 74.30 H new ATOM 0 HB3 PHE A 129 9.680 -17.428 8.973 1.00 74.30 H new ATOM 0 HD1 PHE A 129 13.387 -17.178 9.209 1.00 43.51 H new ATOM 0 HD2 PHE A 129 9.687 -17.191 11.318 1.00 53.14 H new ATOM 0 HE1 PHE A 129 14.555 -16.500 11.261 1.00 3.03 H new ATOM 0 HE2 PHE A 129 10.851 -16.513 13.371 1.00 2.11 H new ATOM 0 HZ PHE A 129 13.289 -16.162 13.346 1.00 63.20 H new ATOM 1908 N THR A 130 13.232 -19.292 7.824 1.00 12.04 N ATOM 1909 CA THR A 130 14.639 -19.650 7.948 1.00 20.34 C ATOM 1910 C THR A 130 15.437 -18.527 8.601 1.00 71.30 C ATOM 1911 O THR A 130 15.383 -17.378 8.162 1.00 34.32 O ATOM 1912 CB THR A 130 15.259 -19.975 6.576 1.00 1.12 C ATOM 1913 OG1 THR A 130 16.594 -20.464 6.745 1.00 4.52 O ATOM 1914 CG2 THR A 130 15.274 -18.743 5.684 1.00 54.01 C ATOM 0 H THR A 130 12.990 -18.830 6.947 1.00 12.04 H new ATOM 0 HA THR A 130 14.685 -20.538 8.578 1.00 20.34 H new ATOM 0 HB THR A 130 14.649 -20.742 6.099 1.00 1.12 H new ATOM 0 HG1 THR A 130 16.980 -20.670 5.868 1.00 4.52 H new ATOM 0 HG21 THR A 130 15.716 -18.997 4.721 1.00 54.01 H new ATOM 0 HG22 THR A 130 14.254 -18.390 5.533 1.00 54.01 H new ATOM 0 HG23 THR A 130 15.863 -17.958 6.158 1.00 54.01 H new ATOM 1922 N ASP A 131 16.178 -18.867 9.650 1.00 15.43 N ATOM 1923 CA ASP A 131 16.989 -17.886 10.363 1.00 72.33 C ATOM 1924 C ASP A 131 18.110 -17.359 9.472 1.00 14.54 C ATOM 1925 O ASP A 131 18.892 -18.131 8.917 1.00 72.11 O ATOM 1926 CB ASP A 131 17.577 -18.505 11.632 1.00 62.14 C ATOM 1927 CG ASP A 131 17.841 -17.473 12.711 1.00 73.15 C ATOM 1928 OD1 ASP A 131 17.247 -16.376 12.641 1.00 60.43 O ATOM 1929 OD2 ASP A 131 18.640 -17.762 13.625 1.00 32.52 O ATOM 0 H ASP A 131 16.234 -19.814 10.025 1.00 15.43 H new ATOM 0 HA ASP A 131 16.346 -17.051 10.640 1.00 72.33 H new ATOM 0 HB2 ASP A 131 16.891 -19.260 12.016 1.00 62.14 H new ATOM 0 HB3 ASP A 131 18.508 -19.015 11.386 1.00 62.14 H new ATOM 1934 N LEU A 132 18.181 -16.039 9.340 1.00 10.31 N ATOM 1935 CA LEU A 132 19.206 -15.407 8.516 1.00 14.31 C ATOM 1936 C LEU A 132 20.535 -15.334 9.261 1.00 52.41 C ATOM 1937 O LEU A 132 21.576 -15.053 8.667 1.00 71.03 O ATOM 1938 CB LEU A 132 18.761 -14.002 8.103 1.00 25.41 C ATOM 1939 CG LEU A 132 18.591 -13.766 6.602 1.00 65.51 C ATOM 1940 CD1 LEU A 132 17.699 -14.836 5.991 1.00 3.12 C ATOM 1941 CD2 LEU A 132 18.020 -12.380 6.341 1.00 25.22 C ATOM 0 H LEU A 132 17.542 -15.386 9.793 1.00 10.31 H new ATOM 0 HA LEU A 132 19.345 -16.015 7.622 1.00 14.31 H new ATOM 0 HB2 LEU A 132 17.813 -13.784 8.594 1.00 25.41 H new ATOM 0 HB3 LEU A 132 19.489 -13.286 8.483 1.00 25.41 H new ATOM 0 HG LEU A 132 19.572 -13.827 6.131 1.00 65.51 H new ATOM 0 HD11 LEU A 132 17.589 -14.652 4.922 1.00 3.12 H new ATOM 0 HD12 LEU A 132 18.149 -15.817 6.146 1.00 3.12 H new ATOM 0 HD13 LEU A 132 16.719 -14.807 6.466 1.00 3.12 H new ATOM 0 HD21 LEU A 132 17.906 -12.230 5.267 1.00 25.22 H new ATOM 0 HD22 LEU A 132 17.048 -12.290 6.825 1.00 25.22 H new ATOM 0 HD23 LEU A 132 18.697 -11.626 6.743 1.00 25.22 H new ATOM 1953 N ARG A 133 20.492 -15.590 10.564 1.00 13.12 N ATOM 1954 CA ARG A 133 21.693 -15.554 11.390 1.00 73.21 C ATOM 1955 C ARG A 133 22.805 -16.394 10.769 1.00 73.42 C ATOM 1956 O ARG A 133 23.881 -15.897 10.438 1.00 41.23 O ATOM 1957 CB ARG A 133 21.383 -16.061 12.800 1.00 42.41 C ATOM 1958 CG ARG A 133 21.388 -14.966 13.855 1.00 62.42 C ATOM 1959 CD ARG A 133 20.499 -15.326 15.035 1.00 62.30 C ATOM 1960 NE ARG A 133 20.701 -16.705 15.472 1.00 23.10 N ATOM 1961 CZ ARG A 133 21.783 -17.119 16.123 1.00 52.30 C ATOM 1962 NH1 ARG A 133 22.755 -16.264 16.411 1.00 15.11 N ATOM 1963 NH2 ARG A 133 21.894 -18.390 16.488 1.00 53.35 N ATOM 0 H ARG A 133 19.638 -15.825 11.071 1.00 13.12 H new ATOM 0 HA ARG A 133 22.032 -14.520 11.449 1.00 73.21 H new ATOM 0 HB2 ARG A 133 20.407 -16.546 12.796 1.00 42.41 H new ATOM 0 HB3 ARG A 133 22.115 -16.821 13.073 1.00 42.41 H new ATOM 0 HG2 ARG A 133 22.407 -14.799 14.203 1.00 62.42 H new ATOM 0 HG3 ARG A 133 21.046 -14.031 13.412 1.00 62.42 H new ATOM 0 HD2 ARG A 133 20.705 -14.649 15.864 1.00 62.30 H new ATOM 0 HD3 ARG A 133 19.454 -15.183 14.759 1.00 62.30 H new ATOM 0 HE ARG A 133 19.972 -17.388 15.266 1.00 23.10 H new ATOM 0 HH11 ARG A 133 22.673 -15.286 16.133 1.00 15.11 H new ATOM 0 HH12 ARG A 133 23.584 -16.584 16.911 1.00 15.11 H new ATOM 0 HH21 ARG A 133 21.148 -19.051 16.269 1.00 53.35 H new ATOM 0 HH22 ARG A 133 22.725 -18.706 16.988 1.00 53.35 H new ATOM 1977 N PRO A 134 22.541 -17.699 10.607 1.00 73.40 N ATOM 1978 CA PRO A 134 23.506 -18.636 10.025 1.00 64.20 C ATOM 1979 C PRO A 134 23.723 -18.395 8.535 1.00 55.20 C ATOM 1980 O PRO A 134 23.406 -19.248 7.706 1.00 54.04 O ATOM 1981 CB PRO A 134 22.858 -20.003 10.257 1.00 61.43 C ATOM 1982 CG PRO A 134 21.398 -19.720 10.347 1.00 24.12 C ATOM 1983 CD PRO A 134 21.279 -18.361 10.979 1.00 12.21 C ATOM 0 HA PRO A 134 24.494 -18.535 10.475 1.00 64.20 H new ATOM 0 HB2 PRO A 134 23.078 -20.689 9.440 1.00 61.43 H new ATOM 0 HB3 PRO A 134 23.228 -20.467 11.171 1.00 61.43 H new ATOM 0 HG2 PRO A 134 20.936 -19.733 9.360 1.00 24.12 H new ATOM 0 HG3 PRO A 134 20.890 -20.475 10.947 1.00 24.12 H new ATOM 0 HD2 PRO A 134 20.413 -17.817 10.601 1.00 12.21 H new ATOM 0 HD3 PRO A 134 21.165 -18.430 12.061 1.00 12.21 H new ATOM 1991 N TYR A 135 24.264 -17.228 8.202 1.00 72.51 N ATOM 1992 CA TYR A 135 24.521 -16.874 6.811 1.00 75.41 C ATOM 1993 C TYR A 135 25.456 -15.672 6.718 1.00 35.44 C ATOM 1994 O TYR A 135 26.331 -15.618 5.856 1.00 61.21 O ATOM 1995 CB TYR A 135 23.207 -16.569 6.090 1.00 74.34 C ATOM 1996 CG TYR A 135 22.634 -17.755 5.347 1.00 61.23 C ATOM 1997 CD1 TYR A 135 23.339 -18.357 4.311 1.00 31.24 C ATOM 1998 CD2 TYR A 135 21.389 -18.273 5.679 1.00 75.10 C ATOM 1999 CE1 TYR A 135 22.820 -19.441 3.629 1.00 14.52 C ATOM 2000 CE2 TYR A 135 20.862 -19.357 5.003 1.00 2.13 C ATOM 2001 CZ TYR A 135 21.581 -19.937 3.979 1.00 3.01 C ATOM 2002 OH TYR A 135 21.060 -21.016 3.303 1.00 52.13 O ATOM 0 H TYR A 135 24.533 -16.511 8.876 1.00 72.51 H new ATOM 0 HA TYR A 135 25.004 -17.724 6.329 1.00 75.41 H new ATOM 0 HB2 TYR A 135 22.475 -16.219 6.818 1.00 74.34 H new ATOM 0 HB3 TYR A 135 23.370 -15.754 5.385 1.00 74.34 H new ATOM 0 HD1 TYR A 135 24.309 -17.971 4.034 1.00 31.24 H new ATOM 0 HD2 TYR A 135 20.823 -17.821 6.480 1.00 75.10 H new ATOM 0 HE1 TYR A 135 23.381 -19.897 2.827 1.00 14.52 H new ATOM 0 HE2 TYR A 135 19.893 -19.748 5.275 1.00 2.13 H new ATOM 0 HH TYR A 135 21.669 -21.779 3.387 1.00 52.13 H new ATOM 2012 N ASN A 136 25.262 -14.710 7.615 1.00 64.41 N ATOM 2013 CA ASN A 136 26.088 -13.508 7.636 1.00 72.23 C ATOM 2014 C ASN A 136 27.302 -13.698 8.540 1.00 40.41 C ATOM 2015 O ASN A 136 27.585 -14.808 8.992 1.00 15.52 O ATOM 2016 CB ASN A 136 25.266 -12.308 8.111 1.00 20.42 C ATOM 2017 CG ASN A 136 25.639 -11.029 7.388 1.00 5.21 C ATOM 2018 OD1 ASN A 136 25.920 -10.007 8.016 1.00 61.45 O ATOM 2019 ND2 ASN A 136 25.644 -11.079 6.061 1.00 21.11 N ATOM 0 H ASN A 136 24.541 -14.739 8.336 1.00 64.41 H new ATOM 0 HA ASN A 136 26.439 -13.320 6.621 1.00 72.23 H new ATOM 0 HB2 ASN A 136 24.207 -12.513 7.957 1.00 20.42 H new ATOM 0 HB3 ASN A 136 25.412 -12.172 9.183 1.00 20.42 H new ATOM 0 HD21 ASN A 136 25.887 -10.249 5.520 1.00 21.11 H new ATOM 0 HD22 ASN A 136 25.404 -11.947 5.582 1.00 21.11 H new ATOM 2026 N ILE A 137 28.015 -12.607 8.799 1.00 25.12 N ATOM 2027 CA ILE A 137 29.198 -12.653 9.651 1.00 52.15 C ATOM 2028 C ILE A 137 28.812 -12.681 11.126 1.00 63.44 C ATOM 2029 O ILE A 137 29.121 -11.757 11.878 1.00 40.23 O ATOM 2030 CB ILE A 137 30.122 -11.447 9.396 1.00 33.21 C ATOM 2031 CG1 ILE A 137 30.368 -11.273 7.896 1.00 21.31 C ATOM 2032 CG2 ILE A 137 31.438 -11.623 10.138 1.00 63.22 C ATOM 2033 CD1 ILE A 137 31.004 -12.481 7.244 1.00 22.02 C ATOM 0 H ILE A 137 27.795 -11.681 8.432 1.00 25.12 H new ATOM 0 HA ILE A 137 29.733 -13.569 9.401 1.00 52.15 H new ATOM 0 HB ILE A 137 29.634 -10.548 9.771 1.00 33.21 H new ATOM 0 HG12 ILE A 137 29.419 -11.061 7.403 1.00 21.31 H new ATOM 0 HG13 ILE A 137 31.009 -10.406 7.739 1.00 21.31 H new ATOM 0 HG21 ILE A 137 32.080 -10.763 9.948 1.00 63.22 H new ATOM 0 HG22 ILE A 137 31.245 -11.703 11.208 1.00 63.22 H new ATOM 0 HG23 ILE A 137 31.933 -12.530 9.790 1.00 63.22 H new ATOM 0 HD11 ILE A 137 31.149 -12.287 6.181 1.00 22.02 H new ATOM 0 HD12 ILE A 137 31.968 -12.681 7.711 1.00 22.02 H new ATOM 0 HD13 ILE A 137 30.354 -13.347 7.369 1.00 22.02 H new ATOM 2045 N LYS A 138 28.137 -13.750 11.534 1.00 33.13 N ATOM 2046 CA LYS A 138 27.711 -13.903 12.920 1.00 12.44 C ATOM 2047 C LYS A 138 28.915 -14.007 13.851 1.00 33.32 C ATOM 2048 O LYS A 138 28.845 -13.619 15.017 1.00 64.21 O ATOM 2049 CB LYS A 138 26.827 -15.143 13.071 1.00 63.15 C ATOM 2050 CG LYS A 138 27.480 -16.419 12.568 1.00 24.34 C ATOM 2051 CD LYS A 138 27.701 -17.414 13.696 1.00 51.30 C ATOM 2052 CE LYS A 138 26.461 -18.259 13.944 1.00 61.21 C ATOM 2053 NZ LYS A 138 26.786 -19.710 14.024 1.00 23.23 N ATOM 0 H LYS A 138 27.873 -14.524 10.924 1.00 33.13 H new ATOM 0 HA LYS A 138 27.136 -13.019 13.196 1.00 12.44 H new ATOM 0 HB2 LYS A 138 26.567 -15.268 14.122 1.00 63.15 H new ATOM 0 HB3 LYS A 138 25.895 -14.983 12.529 1.00 63.15 H new ATOM 0 HG2 LYS A 138 26.853 -16.872 11.800 1.00 24.34 H new ATOM 0 HG3 LYS A 138 28.435 -16.180 12.100 1.00 24.34 H new ATOM 0 HD2 LYS A 138 28.542 -18.063 13.451 1.00 51.30 H new ATOM 0 HD3 LYS A 138 27.967 -16.879 14.608 1.00 51.30 H new ATOM 0 HE2 LYS A 138 25.985 -17.942 14.872 1.00 61.21 H new ATOM 0 HE3 LYS A 138 25.741 -18.092 13.143 1.00 61.21 H new ATOM 0 HZ1 LYS A 138 25.915 -20.252 14.194 1.00 23.23 H new ATOM 0 HZ2 LYS A 138 27.217 -20.019 13.129 1.00 23.23 H new ATOM 0 HZ3 LYS A 138 27.453 -19.874 14.805 1.00 23.23 H new