USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 4 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.35) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 7 ASN : amide:sc= 0.0795 K(o=0.08,f=-1.8!) USER MOD Single : A 13 TYR OH : rot 30:sc= -0.684 USER MOD Single : A 14 LYS NZ :NH3+ 144:sc= -0.138 (180deg=-0.862) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.266 USER MOD Single : A 19 THR OG1 : rot -70:sc= 0.594 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0644 K(o=-0.064,f=-1.2) USER MOD Single : A 22 SER OG : rot 18:sc= 0.189 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 40 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.5) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 37:sc= 0.203 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.0066) USER MOD Single : A 49 THR OG1 : rot 53:sc= 0.168 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0364 USER MOD Single : A 52 HIS : no HD1:sc= -0.0747 X(o=-0.075,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= -0.123 (180deg=-0.519) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.051) USER MOD Single : A 59 CYS SG : rot 16:sc= 0.009 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= -0.0167 (180deg=-0.151) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.35) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 88 THR OG1 : rot 38:sc= 0.335 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.005) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.290 -3.551 -1.677 1.00 21.54 N ATOM 2 CA MET A 1 -0.027 -2.918 -2.965 1.00 13.14 C ATOM 3 C MET A 1 -1.290 -2.885 -3.821 1.00 44.31 C ATOM 4 O MET A 1 -1.497 -3.752 -4.669 1.00 11.52 O ATOM 5 CB MET A 1 1.086 -3.661 -3.705 1.00 4.40 C ATOM 6 CG MET A 1 1.756 -2.829 -4.786 1.00 20.32 C ATOM 7 SD MET A 1 3.029 -1.733 -4.131 1.00 31.41 S ATOM 8 CE MET A 1 4.503 -2.703 -4.441 1.00 22.04 C ATOM 0 H1 MET A 1 0.583 -3.563 -1.111 1.00 21.54 H new ATOM 0 H2 MET A 1 -1.024 -3.016 -1.171 1.00 21.54 H new ATOM 0 H3 MET A 1 -0.616 -4.527 -1.830 1.00 21.54 H new ATOM 0 HA MET A 1 0.293 -1.893 -2.780 1.00 13.14 H new ATOM 0 HB2 MET A 1 1.839 -3.981 -2.985 1.00 4.40 H new ATOM 0 HB3 MET A 1 0.672 -4.563 -4.156 1.00 4.40 H new ATOM 0 HG2 MET A 1 2.200 -3.493 -5.527 1.00 20.32 H new ATOM 0 HG3 MET A 1 1.001 -2.235 -5.302 1.00 20.32 H new ATOM 0 HE1 MET A 1 5.378 -2.157 -4.090 1.00 22.04 H new ATOM 0 HE2 MET A 1 4.431 -3.653 -3.912 1.00 22.04 H new ATOM 0 HE3 MET A 1 4.597 -2.890 -5.511 1.00 22.04 H new ATOM 18 N GLN A 2 -2.127 -1.879 -3.592 1.00 74.23 N ATOM 19 CA GLN A 2 -3.369 -1.734 -4.343 1.00 63.13 C ATOM 20 C GLN A 2 -3.273 -0.582 -5.338 1.00 1.12 C ATOM 21 O GLN A 2 -2.397 0.275 -5.226 1.00 24.44 O ATOM 22 CB GLN A 2 -4.543 -1.504 -3.390 1.00 2.22 C ATOM 23 CG GLN A 2 -4.354 -0.308 -2.470 1.00 21.33 C ATOM 24 CD GLN A 2 -5.565 -0.048 -1.595 1.00 44.23 C ATOM 25 OE1 GLN A 2 -6.700 -0.055 -2.071 1.00 12.44 O ATOM 26 NE2 GLN A 2 -5.327 0.184 -0.310 1.00 32.43 N ATOM 0 H GLN A 2 -1.969 -1.153 -2.893 1.00 74.23 H new ATOM 0 HA GLN A 2 -3.537 -2.657 -4.899 1.00 63.13 H new ATOM 0 HB2 GLN A 2 -5.452 -1.362 -3.974 1.00 2.22 H new ATOM 0 HB3 GLN A 2 -4.689 -2.398 -2.784 1.00 2.22 H new ATOM 0 HG2 GLN A 2 -3.482 -0.475 -1.837 1.00 21.33 H new ATOM 0 HG3 GLN A 2 -4.147 0.578 -3.070 1.00 21.33 H new ATOM 0 HE21 GLN A 2 -4.369 0.180 0.040 1.00 32.43 H new ATOM 0 HE22 GLN A 2 -6.102 0.366 0.327 1.00 32.43 H new ATOM 35 N GLU A 3 -4.179 -0.569 -6.311 1.00 13.51 N ATOM 36 CA GLU A 3 -4.194 0.478 -7.325 1.00 43.02 C ATOM 37 C GLU A 3 -5.625 0.898 -7.653 1.00 24.30 C ATOM 38 O GLU A 3 -6.583 0.339 -7.121 1.00 12.33 O ATOM 39 CB GLU A 3 -3.488 -0.002 -8.596 1.00 52.54 C ATOM 40 CG GLU A 3 -4.110 -1.246 -9.205 1.00 33.35 C ATOM 41 CD GLU A 3 -3.657 -2.520 -8.518 1.00 63.32 C ATOM 42 OE1 GLU A 3 -2.507 -2.945 -8.758 1.00 2.12 O ATOM 43 OE2 GLU A 3 -4.450 -3.092 -7.743 1.00 21.53 O ATOM 0 H GLU A 3 -4.911 -1.271 -6.418 1.00 13.51 H new ATOM 0 HA GLU A 3 -3.662 1.342 -6.926 1.00 43.02 H new ATOM 0 HB2 GLU A 3 -3.503 0.800 -9.334 1.00 52.54 H new ATOM 0 HB3 GLU A 3 -2.442 -0.205 -8.366 1.00 52.54 H new ATOM 0 HG2 GLU A 3 -5.196 -1.172 -9.145 1.00 33.35 H new ATOM 0 HG3 GLU A 3 -3.852 -1.296 -10.263 1.00 33.35 H new ATOM 50 N GLN A 4 -5.758 1.887 -8.532 1.00 31.13 N ATOM 51 CA GLN A 4 -7.071 2.382 -8.929 1.00 32.33 C ATOM 52 C GLN A 4 -7.716 1.455 -9.953 1.00 2.01 C ATOM 53 O GLN A 4 -7.025 0.784 -10.720 1.00 23.11 O ATOM 54 CB GLN A 4 -6.954 3.795 -9.504 1.00 23.02 C ATOM 55 CG GLN A 4 -6.849 4.878 -8.442 1.00 61.40 C ATOM 56 CD GLN A 4 -5.568 4.784 -7.637 1.00 43.13 C ATOM 57 OE1 GLN A 4 -5.556 4.255 -6.526 1.00 4.12 O ATOM 58 NE2 GLN A 4 -4.479 5.298 -8.196 1.00 44.43 N ATOM 0 H GLN A 4 -4.974 2.360 -8.982 1.00 31.13 H new ATOM 0 HA GLN A 4 -7.704 2.409 -8.042 1.00 32.33 H new ATOM 0 HB2 GLN A 4 -6.077 3.844 -10.149 1.00 23.02 H new ATOM 0 HB3 GLN A 4 -7.822 3.996 -10.131 1.00 23.02 H new ATOM 0 HG2 GLN A 4 -6.902 5.856 -8.920 1.00 61.40 H new ATOM 0 HG3 GLN A 4 -7.703 4.805 -7.769 1.00 61.40 H new ATOM 0 HE21 GLN A 4 -4.534 5.728 -9.120 1.00 44.43 H new ATOM 0 HE22 GLN A 4 -3.587 5.263 -7.702 1.00 44.43 H new ATOM 67 N VAL A 5 -9.044 1.422 -9.960 1.00 71.05 N ATOM 68 CA VAL A 5 -9.783 0.577 -10.891 1.00 65.34 C ATOM 69 C VAL A 5 -11.096 1.233 -11.306 1.00 64.45 C ATOM 70 O VAL A 5 -11.830 1.757 -10.470 1.00 13.01 O ATOM 71 CB VAL A 5 -10.083 -0.804 -10.280 1.00 64.13 C ATOM 72 CG1 VAL A 5 -11.003 -0.667 -9.077 1.00 24.12 C ATOM 73 CG2 VAL A 5 -10.691 -1.728 -11.325 1.00 11.33 C ATOM 0 H VAL A 5 -9.631 1.971 -9.331 1.00 71.05 H new ATOM 0 HA VAL A 5 -9.151 0.447 -11.770 1.00 65.34 H new ATOM 0 HB VAL A 5 -9.145 -1.244 -9.941 1.00 64.13 H new ATOM 0 HG11 VAL A 5 -11.204 -1.653 -8.658 1.00 24.12 H new ATOM 0 HG12 VAL A 5 -10.524 -0.043 -8.322 1.00 24.12 H new ATOM 0 HG13 VAL A 5 -11.941 -0.206 -9.387 1.00 24.12 H new ATOM 0 HG21 VAL A 5 -10.897 -2.700 -10.876 1.00 11.33 H new ATOM 0 HG22 VAL A 5 -11.620 -1.296 -11.696 1.00 11.33 H new ATOM 0 HG23 VAL A 5 -9.992 -1.851 -12.152 1.00 11.33 H new ATOM 83 N SER A 6 -11.384 1.199 -12.604 1.00 4.12 N ATOM 84 CA SER A 6 -12.607 1.794 -13.130 1.00 23.40 C ATOM 85 C SER A 6 -13.605 0.713 -13.538 1.00 4.23 C ATOM 86 O SER A 6 -14.795 0.811 -13.245 1.00 24.52 O ATOM 87 CB SER A 6 -12.289 2.688 -14.330 1.00 4.41 C ATOM 88 OG SER A 6 -11.803 1.925 -15.421 1.00 31.44 O ATOM 0 H SER A 6 -10.788 0.766 -13.309 1.00 4.12 H new ATOM 0 HA SER A 6 -13.055 2.400 -12.342 1.00 23.40 H new ATOM 0 HB2 SER A 6 -13.186 3.229 -14.632 1.00 4.41 H new ATOM 0 HB3 SER A 6 -11.547 3.434 -14.045 1.00 4.41 H new ATOM 0 HG SER A 6 -11.609 2.520 -16.175 1.00 31.44 H new ATOM 94 N ASN A 7 -13.107 -0.317 -14.214 1.00 60.34 N ATOM 95 CA ASN A 7 -13.954 -1.417 -14.662 1.00 43.14 C ATOM 96 C ASN A 7 -14.260 -2.372 -13.513 1.00 75.03 C ATOM 97 O ASN A 7 -13.416 -2.613 -12.651 1.00 1.24 O ATOM 98 CB ASN A 7 -13.276 -2.177 -15.804 1.00 60.22 C ATOM 99 CG ASN A 7 -12.070 -2.969 -15.336 1.00 65.15 C ATOM 100 OD1 ASN A 7 -11.076 -2.398 -14.886 1.00 63.24 O ATOM 101 ND2 ASN A 7 -12.153 -4.290 -15.440 1.00 40.45 N ATOM 0 H ASN A 7 -12.123 -0.413 -14.463 1.00 60.34 H new ATOM 0 HA ASN A 7 -14.893 -0.996 -15.021 1.00 43.14 H new ATOM 0 HB2 ASN A 7 -13.996 -2.854 -16.264 1.00 60.22 H new ATOM 0 HB3 ASN A 7 -12.967 -1.470 -16.574 1.00 60.22 H new ATOM 0 HD21 ASN A 7 -11.373 -4.875 -15.141 1.00 40.45 H new ATOM 0 HD22 ASN A 7 -12.997 -4.720 -15.819 1.00 40.45 H new ATOM 108 N VAL A 8 -15.475 -2.913 -13.508 1.00 11.21 N ATOM 109 CA VAL A 8 -15.893 -3.842 -12.466 1.00 13.10 C ATOM 110 C VAL A 8 -15.245 -5.209 -12.657 1.00 31.03 C ATOM 111 O VAL A 8 -14.421 -5.397 -13.552 1.00 32.51 O ATOM 112 CB VAL A 8 -17.423 -4.009 -12.444 1.00 34.42 C ATOM 113 CG1 VAL A 8 -18.103 -2.676 -12.173 1.00 12.02 C ATOM 114 CG2 VAL A 8 -17.912 -4.609 -13.754 1.00 22.23 C ATOM 0 H VAL A 8 -16.186 -2.723 -14.214 1.00 11.21 H new ATOM 0 HA VAL A 8 -15.568 -3.419 -11.515 1.00 13.10 H new ATOM 0 HB VAL A 8 -17.684 -4.693 -11.637 1.00 34.42 H new ATOM 0 HG11 VAL A 8 -19.184 -2.815 -12.161 1.00 12.02 H new ATOM 0 HG12 VAL A 8 -17.776 -2.291 -11.207 1.00 12.02 H new ATOM 0 HG13 VAL A 8 -17.837 -1.966 -12.956 1.00 12.02 H new ATOM 0 HG21 VAL A 8 -18.996 -4.720 -13.721 1.00 22.23 H new ATOM 0 HG22 VAL A 8 -17.640 -3.951 -14.580 1.00 22.23 H new ATOM 0 HG23 VAL A 8 -17.451 -5.586 -13.901 1.00 22.23 H new ATOM 124 N ARG A 9 -15.625 -6.161 -11.810 1.00 23.10 N ATOM 125 CA ARG A 9 -15.080 -7.512 -11.885 1.00 50.21 C ATOM 126 C ARG A 9 -16.195 -8.551 -11.808 1.00 1.04 C ATOM 127 O ARG A 9 -17.181 -8.366 -11.095 1.00 63.23 O ATOM 128 CB ARG A 9 -14.074 -7.742 -10.756 1.00 13.11 C ATOM 129 CG ARG A 9 -12.877 -6.807 -10.807 1.00 41.23 C ATOM 130 CD ARG A 9 -12.014 -6.938 -9.562 1.00 21.31 C ATOM 131 NE ARG A 9 -11.377 -8.249 -9.473 1.00 21.03 N ATOM 132 CZ ARG A 9 -10.891 -8.755 -8.345 1.00 74.11 C ATOM 133 NH1 ARG A 9 -10.971 -8.065 -7.216 1.00 13.31 N ATOM 134 NH2 ARG A 9 -10.326 -9.956 -8.344 1.00 10.13 N ATOM 0 H ARG A 9 -16.307 -6.022 -11.065 1.00 23.10 H new ATOM 0 HA ARG A 9 -14.571 -7.620 -12.843 1.00 50.21 H new ATOM 0 HB2 ARG A 9 -14.580 -7.618 -9.799 1.00 13.11 H new ATOM 0 HB3 ARG A 9 -13.721 -8.773 -10.799 1.00 13.11 H new ATOM 0 HG2 ARG A 9 -12.279 -7.028 -11.691 1.00 41.23 H new ATOM 0 HG3 ARG A 9 -13.222 -5.778 -10.905 1.00 41.23 H new ATOM 0 HD2 ARG A 9 -11.248 -6.163 -9.569 1.00 21.31 H new ATOM 0 HD3 ARG A 9 -12.628 -6.772 -8.677 1.00 21.31 H new ATOM 0 HE ARG A 9 -11.301 -8.807 -10.324 1.00 21.03 H new ATOM 0 HH11 ARG A 9 -11.407 -7.143 -7.212 1.00 13.31 H new ATOM 0 HH12 ARG A 9 -10.597 -8.456 -6.352 1.00 13.31 H new ATOM 0 HH21 ARG A 9 -10.265 -10.491 -9.210 1.00 10.13 H new ATOM 0 HH22 ARG A 9 -9.953 -10.343 -7.477 1.00 10.13 H new ATOM 148 N ALA A 10 -16.029 -9.644 -12.546 1.00 13.23 N ATOM 149 CA ALA A 10 -17.019 -10.714 -12.560 1.00 31.03 C ATOM 150 C ALA A 10 -16.569 -11.889 -11.698 1.00 14.22 C ATOM 151 O ALA A 10 -15.522 -12.487 -11.944 1.00 55.33 O ATOM 152 CB ALA A 10 -17.280 -11.172 -13.986 1.00 33.41 C ATOM 0 H ALA A 10 -15.218 -9.812 -13.142 1.00 13.23 H new ATOM 0 HA ALA A 10 -17.946 -10.324 -12.140 1.00 31.03 H new ATOM 0 HB1 ALA A 10 -18.021 -11.971 -13.982 1.00 33.41 H new ATOM 0 HB2 ALA A 10 -17.653 -10.334 -14.575 1.00 33.41 H new ATOM 0 HB3 ALA A 10 -16.353 -11.540 -14.426 1.00 33.41 H new ATOM 158 N ARG A 11 -17.368 -12.214 -10.686 1.00 3.14 N ATOM 159 CA ARG A 11 -17.051 -13.317 -9.787 1.00 23.43 C ATOM 160 C ARG A 11 -17.836 -14.569 -10.164 1.00 60.33 C ATOM 161 O ARG A 11 -19.026 -14.681 -9.868 1.00 70.11 O ATOM 162 CB ARG A 11 -17.357 -12.928 -8.339 1.00 51.42 C ATOM 163 CG ARG A 11 -16.544 -13.701 -7.315 1.00 61.32 C ATOM 164 CD ARG A 11 -16.911 -13.301 -5.894 1.00 42.54 C ATOM 165 NE ARG A 11 -16.556 -14.334 -4.926 1.00 15.04 N ATOM 166 CZ ARG A 11 -16.824 -14.246 -3.627 1.00 25.32 C ATOM 167 NH1 ARG A 11 -17.445 -13.180 -3.145 1.00 3.42 N ATOM 168 NH2 ARG A 11 -16.469 -15.228 -2.808 1.00 20.42 N ATOM 0 H ARG A 11 -18.239 -11.729 -10.469 1.00 3.14 H new ATOM 0 HA ARG A 11 -15.987 -13.534 -9.881 1.00 23.43 H new ATOM 0 HB2 ARG A 11 -17.168 -11.862 -8.211 1.00 51.42 H new ATOM 0 HB3 ARG A 11 -18.417 -13.089 -8.145 1.00 51.42 H new ATOM 0 HG2 ARG A 11 -16.711 -14.770 -7.448 1.00 61.32 H new ATOM 0 HG3 ARG A 11 -15.482 -13.522 -7.482 1.00 61.32 H new ATOM 0 HD2 ARG A 11 -16.402 -12.372 -5.636 1.00 42.54 H new ATOM 0 HD3 ARG A 11 -17.982 -13.104 -5.838 1.00 42.54 H new ATOM 0 HE ARG A 11 -16.077 -15.168 -5.264 1.00 15.04 H new ATOM 0 HH11 ARG A 11 -17.719 -12.423 -3.771 1.00 3.42 H new ATOM 0 HH12 ARG A 11 -17.649 -13.116 -2.148 1.00 3.42 H new ATOM 0 HH21 ARG A 11 -15.990 -16.050 -3.175 1.00 20.42 H new ATOM 0 HH22 ARG A 11 -16.675 -15.160 -1.811 1.00 20.42 H new ATOM 182 N ILE A 12 -17.162 -15.509 -10.821 1.00 4.42 N ATOM 183 CA ILE A 12 -17.796 -16.753 -11.238 1.00 54.15 C ATOM 184 C ILE A 12 -17.402 -17.906 -10.321 1.00 2.40 C ATOM 185 O ILE A 12 -16.220 -18.126 -10.057 1.00 11.45 O ATOM 186 CB ILE A 12 -17.424 -17.115 -12.688 1.00 32.24 C ATOM 187 CG1 ILE A 12 -17.805 -15.976 -13.636 1.00 13.54 C ATOM 188 CG2 ILE A 12 -18.110 -18.408 -13.103 1.00 2.50 C ATOM 189 CD1 ILE A 12 -17.142 -16.071 -14.992 1.00 54.24 C ATOM 0 H ILE A 12 -16.177 -15.432 -11.075 1.00 4.42 H new ATOM 0 HA ILE A 12 -18.873 -16.595 -11.176 1.00 54.15 H new ATOM 0 HB ILE A 12 -16.346 -17.263 -12.744 1.00 32.24 H new ATOM 0 HG12 ILE A 12 -18.887 -15.971 -13.769 1.00 13.54 H new ATOM 0 HG13 ILE A 12 -17.537 -15.025 -13.175 1.00 13.54 H new ATOM 0 HG21 ILE A 12 -17.838 -18.651 -14.130 1.00 2.50 H new ATOM 0 HG22 ILE A 12 -17.794 -19.216 -12.443 1.00 2.50 H new ATOM 0 HG23 ILE A 12 -19.191 -18.285 -13.034 1.00 2.50 H new ATOM 0 HD11 ILE A 12 -17.458 -15.231 -15.611 1.00 54.24 H new ATOM 0 HD12 ILE A 12 -16.059 -16.045 -14.870 1.00 54.24 H new ATOM 0 HD13 ILE A 12 -17.430 -17.005 -15.473 1.00 54.24 H new ATOM 201 N TYR A 13 -18.400 -18.639 -9.840 1.00 1.51 N ATOM 202 CA TYR A 13 -18.158 -19.769 -8.952 1.00 35.30 C ATOM 203 C TYR A 13 -19.195 -20.867 -9.172 1.00 14.43 C ATOM 204 O TYR A 13 -20.342 -20.592 -9.527 1.00 44.04 O ATOM 205 CB TYR A 13 -18.185 -19.313 -7.492 1.00 61.13 C ATOM 206 CG TYR A 13 -19.464 -18.607 -7.101 1.00 63.13 C ATOM 207 CD1 TYR A 13 -19.674 -17.274 -7.433 1.00 62.24 C ATOM 208 CD2 TYR A 13 -20.461 -19.272 -6.400 1.00 4.15 C ATOM 209 CE1 TYR A 13 -20.841 -16.625 -7.078 1.00 30.53 C ATOM 210 CE2 TYR A 13 -21.631 -18.632 -6.041 1.00 74.04 C ATOM 211 CZ TYR A 13 -21.816 -17.309 -6.382 1.00 50.24 C ATOM 212 OH TYR A 13 -22.980 -16.666 -6.026 1.00 71.13 O ATOM 0 H TYR A 13 -19.384 -18.471 -10.050 1.00 1.51 H new ATOM 0 HA TYR A 13 -17.172 -20.173 -9.181 1.00 35.30 H new ATOM 0 HB2 TYR A 13 -18.047 -20.181 -6.847 1.00 61.13 H new ATOM 0 HB3 TYR A 13 -17.342 -18.645 -7.313 1.00 61.13 H new ATOM 0 HD1 TYR A 13 -18.912 -16.736 -7.978 1.00 62.24 H new ATOM 0 HD2 TYR A 13 -20.319 -20.308 -6.131 1.00 4.15 H new ATOM 0 HE1 TYR A 13 -20.989 -15.589 -7.344 1.00 30.53 H new ATOM 0 HE2 TYR A 13 -22.396 -19.165 -5.496 1.00 74.04 H new ATOM 0 HH TYR A 13 -23.185 -15.972 -6.686 1.00 71.13 H new ATOM 222 N LYS A 14 -18.784 -22.112 -8.957 1.00 40.24 N ATOM 223 CA LYS A 14 -19.675 -23.253 -9.129 1.00 64.13 C ATOM 224 C LYS A 14 -19.883 -23.985 -7.808 1.00 52.43 C ATOM 225 O LYS A 14 -19.142 -24.904 -7.457 1.00 12.35 O ATOM 226 CB LYS A 14 -19.108 -24.216 -10.175 1.00 5.13 C ATOM 227 CG LYS A 14 -17.632 -24.520 -9.984 1.00 12.22 C ATOM 228 CD LYS A 14 -17.261 -25.872 -10.570 1.00 50.22 C ATOM 229 CE LYS A 14 -17.427 -26.987 -9.549 1.00 32.32 C ATOM 230 NZ LYS A 14 -18.813 -27.534 -9.546 1.00 2.20 N ATOM 0 H LYS A 14 -17.838 -22.357 -8.663 1.00 40.24 H new ATOM 0 HA LYS A 14 -20.640 -22.880 -9.473 1.00 64.13 H new ATOM 0 HB2 LYS A 14 -19.670 -25.149 -10.140 1.00 5.13 H new ATOM 0 HB3 LYS A 14 -19.257 -23.791 -11.167 1.00 5.13 H new ATOM 0 HG2 LYS A 14 -17.035 -23.741 -10.458 1.00 12.22 H new ATOM 0 HG3 LYS A 14 -17.391 -24.505 -8.921 1.00 12.22 H new ATOM 0 HD2 LYS A 14 -17.886 -26.077 -11.439 1.00 50.22 H new ATOM 0 HD3 LYS A 14 -16.229 -25.848 -10.919 1.00 50.22 H new ATOM 0 HE2 LYS A 14 -16.721 -27.788 -9.768 1.00 32.32 H new ATOM 0 HE3 LYS A 14 -17.183 -26.610 -8.556 1.00 32.32 H new ATOM 0 HZ1 LYS A 14 -18.781 -28.559 -9.371 1.00 2.20 H new ATOM 0 HZ2 LYS A 14 -19.367 -27.072 -8.797 1.00 2.20 H new ATOM 0 HZ3 LYS A 14 -19.259 -27.354 -10.468 1.00 2.20 H new ATOM 244 N PRO A 15 -20.915 -23.572 -7.058 1.00 12.14 N ATOM 245 CA PRO A 15 -21.246 -24.177 -5.764 1.00 23.21 C ATOM 246 C PRO A 15 -21.791 -25.593 -5.908 1.00 72.34 C ATOM 247 O PRO A 15 -22.101 -26.040 -7.013 1.00 4.44 O ATOM 248 CB PRO A 15 -22.321 -23.244 -5.201 1.00 20.30 C ATOM 249 CG PRO A 15 -22.942 -22.614 -6.400 1.00 42.40 C ATOM 250 CD PRO A 15 -21.840 -22.483 -7.415 1.00 14.05 C ATOM 0 HA PRO A 15 -20.369 -24.275 -5.124 1.00 23.21 H new ATOM 0 HB2 PRO A 15 -23.058 -23.796 -4.617 1.00 20.30 H new ATOM 0 HB3 PRO A 15 -21.887 -22.494 -4.540 1.00 20.30 H new ATOM 0 HG2 PRO A 15 -23.757 -23.227 -6.785 1.00 42.40 H new ATOM 0 HG3 PRO A 15 -23.365 -21.640 -6.154 1.00 42.40 H new ATOM 0 HD2 PRO A 15 -22.216 -22.592 -8.432 1.00 14.05 H new ATOM 0 HD3 PRO A 15 -21.355 -21.509 -7.358 1.00 14.05 H new ATOM 258 N ALA A 16 -21.906 -26.295 -4.786 1.00 75.40 N ATOM 259 CA ALA A 16 -22.417 -27.661 -4.789 1.00 12.54 C ATOM 260 C ALA A 16 -23.826 -27.720 -5.369 1.00 41.33 C ATOM 261 O ALA A 16 -24.567 -26.737 -5.329 1.00 63.14 O ATOM 262 CB ALA A 16 -22.401 -28.233 -3.379 1.00 40.32 C ATOM 0 H ALA A 16 -21.653 -25.941 -3.864 1.00 75.40 H new ATOM 0 HA ALA A 16 -21.766 -28.264 -5.422 1.00 12.54 H new ATOM 0 HB1 ALA A 16 -22.785 -29.253 -3.396 1.00 40.32 H new ATOM 0 HB2 ALA A 16 -21.379 -28.236 -2.999 1.00 40.32 H new ATOM 0 HB3 ALA A 16 -23.027 -27.620 -2.731 1.00 40.32 H new ATOM 268 N LYS A 17 -24.190 -28.877 -5.910 1.00 13.12 N ATOM 269 CA LYS A 17 -25.511 -29.065 -6.499 1.00 1.51 C ATOM 270 C LYS A 17 -26.555 -29.335 -5.419 1.00 70.31 C ATOM 271 O LYS A 17 -26.283 -30.029 -4.439 1.00 2.12 O ATOM 272 CB LYS A 17 -25.486 -30.222 -7.500 1.00 52.30 C ATOM 273 CG LYS A 17 -26.708 -30.274 -8.400 1.00 10.31 C ATOM 274 CD LYS A 17 -26.581 -31.366 -9.450 1.00 55.41 C ATOM 275 CE LYS A 17 -27.129 -32.692 -8.944 1.00 42.41 C ATOM 276 NZ LYS A 17 -28.615 -32.747 -9.030 1.00 62.32 N ATOM 0 H LYS A 17 -23.589 -29.700 -5.953 1.00 13.12 H new ATOM 0 HA LYS A 17 -25.783 -28.147 -7.021 1.00 1.51 H new ATOM 0 HB2 LYS A 17 -24.593 -30.137 -8.119 1.00 52.30 H new ATOM 0 HB3 LYS A 17 -25.407 -31.162 -6.954 1.00 52.30 H new ATOM 0 HG2 LYS A 17 -27.598 -30.450 -7.796 1.00 10.31 H new ATOM 0 HG3 LYS A 17 -26.841 -29.310 -8.891 1.00 10.31 H new ATOM 0 HD2 LYS A 17 -27.117 -31.070 -10.351 1.00 55.41 H new ATOM 0 HD3 LYS A 17 -25.534 -31.486 -9.727 1.00 55.41 H new ATOM 0 HE2 LYS A 17 -26.701 -33.508 -9.527 1.00 42.41 H new ATOM 0 HE3 LYS A 17 -26.819 -32.842 -7.910 1.00 42.41 H new ATOM 0 HZ1 LYS A 17 -28.949 -33.666 -8.676 1.00 62.32 H new ATOM 0 HZ2 LYS A 17 -29.025 -31.984 -8.454 1.00 62.32 H new ATOM 0 HZ3 LYS A 17 -28.910 -32.629 -10.020 1.00 62.32 H new ATOM 290 N SER A 18 -27.750 -28.786 -5.607 1.00 45.23 N ATOM 291 CA SER A 18 -28.834 -28.966 -4.649 1.00 11.32 C ATOM 292 C SER A 18 -30.191 -28.836 -5.332 1.00 32.02 C ATOM 293 O SER A 18 -30.333 -28.127 -6.329 1.00 2.20 O ATOM 294 CB SER A 18 -28.719 -27.941 -3.518 1.00 22.34 C ATOM 295 OG SER A 18 -27.391 -27.867 -3.030 1.00 51.20 O ATOM 0 H SER A 18 -27.992 -28.212 -6.415 1.00 45.23 H new ATOM 0 HA SER A 18 -28.753 -29.969 -4.231 1.00 11.32 H new ATOM 0 HB2 SER A 18 -29.033 -26.961 -3.878 1.00 22.34 H new ATOM 0 HB3 SER A 18 -29.393 -28.213 -2.706 1.00 22.34 H new ATOM 0 HG SER A 18 -27.344 -27.204 -2.310 1.00 51.20 H new ATOM 301 N THR A 19 -31.189 -29.526 -4.788 1.00 53.13 N ATOM 302 CA THR A 19 -32.536 -29.490 -5.345 1.00 13.22 C ATOM 303 C THR A 19 -33.569 -29.192 -4.265 1.00 72.10 C ATOM 304 O THR A 19 -34.312 -30.078 -3.843 1.00 30.45 O ATOM 305 CB THR A 19 -32.895 -30.821 -6.032 1.00 12.12 C ATOM 306 OG1 THR A 19 -34.289 -30.842 -6.358 1.00 73.42 O ATOM 307 CG2 THR A 19 -32.562 -32.001 -5.133 1.00 11.42 C ATOM 0 H THR A 19 -31.090 -30.117 -3.962 1.00 53.13 H new ATOM 0 HA THR A 19 -32.551 -28.692 -6.087 1.00 13.22 H new ATOM 0 HB THR A 19 -32.306 -30.904 -6.946 1.00 12.12 H new ATOM 0 HG1 THR A 19 -34.816 -30.911 -5.535 1.00 73.42 H new ATOM 0 HG21 THR A 19 -32.824 -32.930 -5.640 1.00 11.42 H new ATOM 0 HG22 THR A 19 -31.495 -31.998 -4.909 1.00 11.42 H new ATOM 0 HG23 THR A 19 -33.127 -31.922 -4.205 1.00 11.42 H new ATOM 315 N MET A 20 -33.613 -27.940 -3.822 1.00 4.43 N ATOM 316 CA MET A 20 -34.558 -27.527 -2.791 1.00 41.32 C ATOM 317 C MET A 20 -35.982 -27.512 -3.336 1.00 54.31 C ATOM 318 O MET A 20 -36.889 -28.092 -2.740 1.00 13.01 O ATOM 319 CB MET A 20 -34.189 -26.141 -2.258 1.00 15.24 C ATOM 320 CG MET A 20 -34.672 -25.888 -0.839 1.00 70.30 C ATOM 321 SD MET A 20 -34.659 -24.139 -0.402 1.00 5.13 S ATOM 322 CE MET A 20 -35.232 -24.209 1.294 1.00 54.34 C ATOM 0 H MET A 20 -33.005 -27.194 -4.161 1.00 4.43 H new ATOM 0 HA MET A 20 -34.507 -28.248 -1.975 1.00 41.32 H new ATOM 0 HB2 MET A 20 -33.106 -26.025 -2.291 1.00 15.24 H new ATOM 0 HB3 MET A 20 -34.611 -25.383 -2.918 1.00 15.24 H new ATOM 0 HG2 MET A 20 -35.684 -26.278 -0.729 1.00 70.30 H new ATOM 0 HG3 MET A 20 -34.040 -26.438 -0.141 1.00 70.30 H new ATOM 0 HE1 MET A 20 -35.277 -23.200 1.705 1.00 54.34 H new ATOM 0 HE2 MET A 20 -36.225 -24.658 1.324 1.00 54.34 H new ATOM 0 HE3 MET A 20 -34.543 -24.811 1.886 1.00 54.34 H new ATOM 332 N GLN A 21 -36.172 -26.844 -4.469 1.00 54.10 N ATOM 333 CA GLN A 21 -37.487 -26.755 -5.091 1.00 51.45 C ATOM 334 C GLN A 21 -37.367 -26.656 -6.609 1.00 22.42 C ATOM 335 O GLN A 21 -36.422 -26.063 -7.129 1.00 53.30 O ATOM 336 CB GLN A 21 -38.249 -25.543 -4.550 1.00 75.22 C ATOM 337 CG GLN A 21 -39.760 -25.708 -4.586 1.00 31.33 C ATOM 338 CD GLN A 21 -40.267 -26.675 -3.533 1.00 40.15 C ATOM 339 OE1 GLN A 21 -39.596 -26.927 -2.532 1.00 15.02 O ATOM 340 NE2 GLN A 21 -41.457 -27.221 -3.754 1.00 11.24 N ATOM 0 H GLN A 21 -35.432 -26.357 -4.975 1.00 54.10 H new ATOM 0 HA GLN A 21 -38.038 -27.663 -4.846 1.00 51.45 H new ATOM 0 HB2 GLN A 21 -37.937 -25.357 -3.522 1.00 75.22 H new ATOM 0 HB3 GLN A 21 -37.974 -24.663 -5.131 1.00 75.22 H new ATOM 0 HG2 GLN A 21 -40.231 -24.736 -4.439 1.00 31.33 H new ATOM 0 HG3 GLN A 21 -40.060 -26.061 -5.573 1.00 31.33 H new ATOM 0 HE21 GLN A 21 -41.979 -26.983 -4.598 1.00 11.24 H new ATOM 0 HE22 GLN A 21 -41.850 -27.878 -3.080 1.00 11.24 H new ATOM 349 N SER A 22 -38.329 -27.243 -7.314 1.00 10.34 N ATOM 350 CA SER A 22 -38.328 -27.225 -8.771 1.00 21.41 C ATOM 351 C SER A 22 -39.753 -27.228 -9.316 1.00 51.21 C ATOM 352 O SER A 22 -40.708 -27.490 -8.586 1.00 22.02 O ATOM 353 CB SER A 22 -37.559 -28.431 -9.316 1.00 51.14 C ATOM 354 OG SER A 22 -36.164 -28.186 -9.324 1.00 42.01 O ATOM 0 H SER A 22 -39.119 -27.737 -6.899 1.00 10.34 H new ATOM 0 HA SER A 22 -37.835 -26.310 -9.098 1.00 21.41 H new ATOM 0 HB2 SER A 22 -37.774 -29.309 -8.706 1.00 51.14 H new ATOM 0 HB3 SER A 22 -37.898 -28.655 -10.328 1.00 51.14 H new ATOM 0 HG SER A 22 -35.960 -27.439 -8.724 1.00 42.01 H new ATOM 360 N GLY A 23 -39.887 -26.934 -10.606 1.00 12.10 N ATOM 361 CA GLY A 23 -41.199 -26.907 -11.227 1.00 45.15 C ATOM 362 C GLY A 23 -41.405 -25.679 -12.091 1.00 55.11 C ATOM 363 O GLY A 23 -41.672 -24.590 -11.582 1.00 42.31 O ATOM 0 H GLY A 23 -39.112 -26.714 -11.231 1.00 12.10 H new ATOM 0 HA2 GLY A 23 -41.328 -27.802 -11.836 1.00 45.15 H new ATOM 0 HA3 GLY A 23 -41.965 -26.935 -10.452 1.00 45.15 H new ATOM 367 N HIS A 24 -41.281 -25.853 -13.403 1.00 44.12 N ATOM 368 CA HIS A 24 -41.455 -24.748 -14.341 1.00 34.52 C ATOM 369 C HIS A 24 -40.421 -23.655 -14.090 1.00 72.20 C ATOM 370 O HIS A 24 -40.710 -22.468 -14.241 1.00 54.41 O ATOM 371 CB HIS A 24 -42.865 -24.170 -14.224 1.00 73.21 C ATOM 372 CG HIS A 24 -43.382 -23.587 -15.503 1.00 23.00 C ATOM 373 ND1 HIS A 24 -43.647 -24.347 -16.623 1.00 45.43 N ATOM 374 CD2 HIS A 24 -43.684 -22.311 -15.836 1.00 12.31 C ATOM 375 CE1 HIS A 24 -44.088 -23.563 -17.590 1.00 60.04 C ATOM 376 NE2 HIS A 24 -44.120 -22.321 -17.138 1.00 34.52 N ATOM 0 H HIS A 24 -41.061 -26.747 -13.841 1.00 44.12 H new ATOM 0 HA HIS A 24 -41.312 -25.134 -15.350 1.00 34.52 H new ATOM 0 HB2 HIS A 24 -43.544 -24.955 -13.892 1.00 73.21 H new ATOM 0 HB3 HIS A 24 -42.869 -23.398 -13.455 1.00 73.21 H new ATOM 0 HD2 HIS A 24 -43.598 -21.445 -15.196 1.00 12.31 H new ATOM 0 HE1 HIS A 24 -44.374 -23.882 -18.581 1.00 60.04 H new ATOM 0 HE2 HIS A 24 -44.420 -21.504 -17.670 1.00 34.52 H new ATOM 384 N SER A 25 -39.216 -24.063 -13.705 1.00 64.22 N ATOM 385 CA SER A 25 -38.141 -23.117 -13.429 1.00 62.44 C ATOM 386 C SER A 25 -36.914 -23.426 -14.281 1.00 1.03 C ATOM 387 O SER A 25 -36.745 -24.546 -14.765 1.00 43.11 O ATOM 388 CB SER A 25 -37.769 -23.155 -11.945 1.00 44.35 C ATOM 389 OG SER A 25 -36.805 -24.161 -11.687 1.00 42.03 O ATOM 0 H SER A 25 -38.960 -25.042 -13.577 1.00 64.22 H new ATOM 0 HA SER A 25 -38.495 -22.118 -13.682 1.00 62.44 H new ATOM 0 HB2 SER A 25 -37.377 -22.185 -11.640 1.00 44.35 H new ATOM 0 HB3 SER A 25 -38.662 -23.340 -11.348 1.00 44.35 H new ATOM 0 HG SER A 25 -36.583 -24.164 -10.733 1.00 42.03 H new ATOM 395 N LYS A 26 -36.058 -22.426 -14.461 1.00 14.22 N ATOM 396 CA LYS A 26 -34.844 -22.588 -15.253 1.00 34.22 C ATOM 397 C LYS A 26 -33.736 -23.226 -14.423 1.00 43.32 C ATOM 398 O LYS A 26 -33.603 -22.953 -13.229 1.00 30.10 O ATOM 399 CB LYS A 26 -34.378 -21.234 -15.791 1.00 52.13 C ATOM 400 CG LYS A 26 -35.456 -20.476 -16.547 1.00 54.54 C ATOM 401 CD LYS A 26 -34.873 -19.314 -17.334 1.00 53.41 C ATOM 402 CE LYS A 26 -34.198 -18.304 -16.419 1.00 22.21 C ATOM 403 NZ LYS A 26 -33.646 -17.149 -17.180 1.00 4.34 N ATOM 0 H LYS A 26 -36.183 -21.493 -14.068 1.00 14.22 H new ATOM 0 HA LYS A 26 -35.071 -23.246 -16.092 1.00 34.22 H new ATOM 0 HB2 LYS A 26 -34.031 -20.622 -14.959 1.00 52.13 H new ATOM 0 HB3 LYS A 26 -33.524 -21.389 -16.451 1.00 52.13 H new ATOM 0 HG2 LYS A 26 -35.971 -21.155 -17.227 1.00 54.54 H new ATOM 0 HG3 LYS A 26 -36.201 -20.103 -15.844 1.00 54.54 H new ATOM 0 HD2 LYS A 26 -34.151 -19.690 -18.058 1.00 53.41 H new ATOM 0 HD3 LYS A 26 -35.665 -18.822 -17.899 1.00 53.41 H new ATOM 0 HE2 LYS A 26 -34.917 -17.944 -15.683 1.00 22.21 H new ATOM 0 HE3 LYS A 26 -33.395 -18.793 -15.868 1.00 22.21 H new ATOM 0 HZ1 LYS A 26 -33.194 -16.483 -16.521 1.00 4.34 H new ATOM 0 HZ2 LYS A 26 -32.942 -17.490 -17.865 1.00 4.34 H new ATOM 0 HZ3 LYS A 26 -34.416 -16.667 -17.686 1.00 4.34 H new ATOM 417 N LEU A 27 -32.939 -24.076 -15.063 1.00 12.02 N ATOM 418 CA LEU A 27 -31.839 -24.752 -14.384 1.00 61.31 C ATOM 419 C LEU A 27 -30.564 -23.916 -14.448 1.00 32.42 C ATOM 420 O LEU A 27 -30.383 -23.108 -15.358 1.00 33.22 O ATOM 421 CB LEU A 27 -31.595 -26.126 -15.011 1.00 5.22 C ATOM 422 CG LEU A 27 -32.560 -27.235 -14.595 1.00 75.10 C ATOM 423 CD1 LEU A 27 -32.413 -28.441 -15.509 1.00 23.25 C ATOM 424 CD2 LEU A 27 -32.327 -27.630 -13.144 1.00 42.32 C ATOM 0 H LEU A 27 -33.034 -24.313 -16.051 1.00 12.02 H new ATOM 0 HA LEU A 27 -32.114 -24.881 -13.337 1.00 61.31 H new ATOM 0 HB2 LEU A 27 -31.639 -26.021 -16.095 1.00 5.22 H new ATOM 0 HB3 LEU A 27 -30.582 -26.442 -14.762 1.00 5.22 H new ATOM 0 HG LEU A 27 -33.578 -26.857 -14.687 1.00 75.10 H new ATOM 0 HD11 LEU A 27 -33.108 -29.221 -15.197 1.00 23.25 H new ATOM 0 HD12 LEU A 27 -32.633 -28.148 -16.536 1.00 23.25 H new ATOM 0 HD13 LEU A 27 -31.393 -28.820 -15.450 1.00 23.25 H new ATOM 0 HD21 LEU A 27 -33.024 -28.421 -12.866 1.00 42.32 H new ATOM 0 HD22 LEU A 27 -31.305 -27.988 -13.024 1.00 42.32 H new ATOM 0 HD23 LEU A 27 -32.486 -26.764 -12.501 1.00 42.32 H new ATOM 436 N LYS A 28 -29.681 -24.119 -13.476 1.00 2.13 N ATOM 437 CA LYS A 28 -28.421 -23.388 -13.422 1.00 2.24 C ATOM 438 C LYS A 28 -27.314 -24.255 -12.830 1.00 71.42 C ATOM 439 O LYS A 28 -27.553 -25.048 -11.919 1.00 53.25 O ATOM 440 CB LYS A 28 -28.582 -22.113 -12.592 1.00 41.23 C ATOM 441 CG LYS A 28 -29.072 -22.365 -11.178 1.00 15.33 C ATOM 442 CD LYS A 28 -30.590 -22.413 -11.113 1.00 3.34 C ATOM 443 CE LYS A 28 -31.108 -21.889 -9.782 1.00 55.34 C ATOM 444 NZ LYS A 28 -32.398 -22.527 -9.399 1.00 23.51 N ATOM 0 H LYS A 28 -29.815 -24.784 -12.715 1.00 2.13 H new ATOM 0 HA LYS A 28 -28.143 -23.119 -14.441 1.00 2.24 H new ATOM 0 HB2 LYS A 28 -27.624 -21.595 -12.548 1.00 41.23 H new ATOM 0 HB3 LYS A 28 -29.282 -21.447 -13.097 1.00 41.23 H new ATOM 0 HG2 LYS A 28 -28.661 -23.306 -10.812 1.00 15.33 H new ATOM 0 HG3 LYS A 28 -28.704 -21.579 -10.519 1.00 15.33 H new ATOM 0 HD2 LYS A 28 -31.009 -21.820 -11.926 1.00 3.34 H new ATOM 0 HD3 LYS A 28 -30.929 -23.439 -11.258 1.00 3.34 H new ATOM 0 HE2 LYS A 28 -30.366 -22.075 -9.005 1.00 55.34 H new ATOM 0 HE3 LYS A 28 -31.241 -20.809 -9.844 1.00 55.34 H new ATOM 0 HZ1 LYS A 28 -32.718 -22.143 -8.487 1.00 23.51 H new ATOM 0 HZ2 LYS A 28 -33.113 -22.329 -10.128 1.00 23.51 H new ATOM 0 HZ3 LYS A 28 -32.265 -23.555 -9.315 1.00 23.51 H new ATOM 458 N ALA A 29 -26.102 -24.098 -13.352 1.00 1.30 N ATOM 459 CA ALA A 29 -24.958 -24.864 -12.872 1.00 53.24 C ATOM 460 C ALA A 29 -23.853 -23.942 -12.367 1.00 50.20 C ATOM 461 O ALA A 29 -23.178 -24.248 -11.385 1.00 33.44 O ATOM 462 CB ALA A 29 -24.430 -25.770 -13.975 1.00 42.44 C ATOM 0 H ALA A 29 -25.887 -23.447 -14.107 1.00 1.30 H new ATOM 0 HA ALA A 29 -25.289 -25.481 -12.037 1.00 53.24 H new ATOM 0 HB1 ALA A 29 -23.576 -26.336 -13.603 1.00 42.44 H new ATOM 0 HB2 ALA A 29 -25.215 -26.459 -14.286 1.00 42.44 H new ATOM 0 HB3 ALA A 29 -24.121 -25.164 -14.827 1.00 42.44 H new ATOM 468 N TRP A 30 -23.675 -22.815 -13.045 1.00 42.41 N ATOM 469 CA TRP A 30 -22.650 -21.848 -12.665 1.00 34.31 C ATOM 470 C TRP A 30 -23.280 -20.580 -12.100 1.00 61.13 C ATOM 471 O TRP A 30 -24.403 -20.220 -12.457 1.00 70.51 O ATOM 472 CB TRP A 30 -21.772 -21.504 -13.868 1.00 51.15 C ATOM 473 CG TRP A 30 -20.838 -22.609 -14.259 1.00 34.11 C ATOM 474 CD1 TRP A 30 -21.134 -23.697 -15.029 1.00 65.32 C ATOM 475 CD2 TRP A 30 -19.459 -22.735 -13.896 1.00 51.32 C ATOM 476 NE1 TRP A 30 -20.021 -24.492 -15.167 1.00 63.22 N ATOM 477 CE2 TRP A 30 -18.981 -23.923 -14.481 1.00 43.01 C ATOM 478 CE3 TRP A 30 -18.582 -21.958 -13.135 1.00 11.24 C ATOM 479 CZ2 TRP A 30 -17.664 -24.351 -14.328 1.00 14.41 C ATOM 480 CZ3 TRP A 30 -17.277 -22.385 -12.982 1.00 4.14 C ATOM 481 CH2 TRP A 30 -16.827 -23.572 -13.577 1.00 13.52 C ATOM 0 H TRP A 30 -24.226 -22.547 -13.860 1.00 42.41 H new ATOM 0 HA TRP A 30 -22.030 -22.299 -11.890 1.00 34.31 H new ATOM 0 HB2 TRP A 30 -22.411 -21.261 -14.717 1.00 51.15 H new ATOM 0 HB3 TRP A 30 -21.191 -20.610 -13.640 1.00 51.15 H new ATOM 0 HD1 TRP A 30 -22.100 -23.903 -15.465 1.00 65.32 H new ATOM 0 HE1 TRP A 30 -19.977 -25.364 -15.695 1.00 63.22 H new ATOM 0 HE3 TRP A 30 -18.918 -21.041 -12.675 1.00 11.24 H new ATOM 0 HZ2 TRP A 30 -17.316 -25.265 -14.786 1.00 14.41 H new ATOM 0 HZ3 TRP A 30 -16.591 -21.794 -12.393 1.00 4.14 H new ATOM 0 HH2 TRP A 30 -15.800 -23.877 -13.440 1.00 13.52 H new ATOM 492 N LYS A 31 -22.552 -19.905 -11.217 1.00 53.44 N ATOM 493 CA LYS A 31 -23.039 -18.675 -10.603 1.00 73.33 C ATOM 494 C LYS A 31 -22.141 -17.496 -10.961 1.00 43.05 C ATOM 495 O LYS A 31 -20.920 -17.638 -11.054 1.00 55.03 O ATOM 496 CB LYS A 31 -23.112 -18.833 -9.083 1.00 61.42 C ATOM 497 CG LYS A 31 -24.228 -18.028 -8.440 1.00 44.35 C ATOM 498 CD LYS A 31 -25.595 -18.519 -8.881 1.00 32.00 C ATOM 499 CE LYS A 31 -26.264 -19.353 -7.798 1.00 12.42 C ATOM 500 NZ LYS A 31 -25.919 -20.796 -7.916 1.00 2.22 N ATOM 0 H LYS A 31 -21.622 -20.189 -10.910 1.00 53.44 H new ATOM 0 HA LYS A 31 -24.039 -18.477 -10.989 1.00 73.33 H new ATOM 0 HB2 LYS A 31 -23.251 -19.887 -8.842 1.00 61.42 H new ATOM 0 HB3 LYS A 31 -22.160 -18.529 -8.649 1.00 61.42 H new ATOM 0 HG2 LYS A 31 -24.149 -18.096 -7.355 1.00 44.35 H new ATOM 0 HG3 LYS A 31 -24.116 -16.976 -8.702 1.00 44.35 H new ATOM 0 HD2 LYS A 31 -26.227 -17.666 -9.127 1.00 32.00 H new ATOM 0 HD3 LYS A 31 -25.494 -19.113 -9.789 1.00 32.00 H new ATOM 0 HE2 LYS A 31 -25.960 -18.986 -6.818 1.00 12.42 H new ATOM 0 HE3 LYS A 31 -27.345 -19.232 -7.863 1.00 12.42 H new ATOM 0 HZ1 LYS A 31 -26.394 -21.330 -7.160 1.00 2.22 H new ATOM 0 HZ2 LYS A 31 -26.232 -21.153 -8.841 1.00 2.22 H new ATOM 0 HZ3 LYS A 31 -24.890 -20.915 -7.829 1.00 2.22 H new ATOM 514 N LEU A 32 -22.749 -16.332 -11.159 1.00 74.03 N ATOM 515 CA LEU A 32 -22.004 -15.127 -11.504 1.00 53.05 C ATOM 516 C LEU A 32 -22.386 -13.969 -10.589 1.00 1.03 C ATOM 517 O LEU A 32 -23.567 -13.698 -10.375 1.00 2.24 O ATOM 518 CB LEU A 32 -22.262 -14.745 -12.963 1.00 40.01 C ATOM 519 CG LEU A 32 -21.507 -13.519 -13.479 1.00 12.02 C ATOM 520 CD1 LEU A 32 -22.226 -12.241 -13.076 1.00 54.24 C ATOM 521 CD2 LEU A 32 -20.077 -13.514 -12.959 1.00 62.41 C ATOM 0 H LEU A 32 -23.757 -16.197 -11.086 1.00 74.03 H new ATOM 0 HA LEU A 32 -20.942 -15.336 -11.371 1.00 53.05 H new ATOM 0 HB2 LEU A 32 -22.004 -15.597 -13.592 1.00 40.01 H new ATOM 0 HB3 LEU A 32 -23.330 -14.568 -13.088 1.00 40.01 H new ATOM 0 HG LEU A 32 -21.476 -13.568 -14.567 1.00 12.02 H new ATOM 0 HD11 LEU A 32 -21.674 -11.379 -13.452 1.00 54.24 H new ATOM 0 HD12 LEU A 32 -23.231 -12.241 -13.498 1.00 54.24 H new ATOM 0 HD13 LEU A 32 -22.289 -12.186 -11.989 1.00 54.24 H new ATOM 0 HD21 LEU A 32 -19.556 -12.634 -13.337 1.00 62.41 H new ATOM 0 HD22 LEU A 32 -20.086 -13.490 -11.869 1.00 62.41 H new ATOM 0 HD23 LEU A 32 -19.563 -14.414 -13.298 1.00 62.41 H new ATOM 533 N GLU A 33 -21.377 -13.289 -10.051 1.00 51.13 N ATOM 534 CA GLU A 33 -21.609 -12.159 -9.159 1.00 0.20 C ATOM 535 C GLU A 33 -20.642 -11.019 -9.464 1.00 5.33 C ATOM 536 O GLU A 33 -19.462 -11.080 -9.113 1.00 60.02 O ATOM 537 CB GLU A 33 -21.459 -12.594 -7.700 1.00 10.20 C ATOM 538 CG GLU A 33 -21.461 -11.435 -6.717 1.00 22.03 C ATOM 539 CD GLU A 33 -22.772 -10.674 -6.714 1.00 62.50 C ATOM 540 OE1 GLU A 33 -23.144 -10.128 -7.773 1.00 60.32 O ATOM 541 OE2 GLU A 33 -23.426 -10.624 -5.652 1.00 35.51 O ATOM 0 H GLU A 33 -20.393 -13.501 -10.217 1.00 51.13 H new ATOM 0 HA GLU A 33 -22.626 -11.803 -9.321 1.00 0.20 H new ATOM 0 HB2 GLU A 33 -22.271 -13.275 -7.447 1.00 10.20 H new ATOM 0 HB3 GLU A 33 -20.529 -13.152 -7.590 1.00 10.20 H new ATOM 0 HG2 GLU A 33 -21.263 -11.814 -5.714 1.00 22.03 H new ATOM 0 HG3 GLU A 33 -20.649 -10.751 -6.966 1.00 22.03 H new ATOM 548 N PHE A 34 -21.149 -9.979 -10.118 1.00 4.52 N ATOM 549 CA PHE A 34 -20.330 -8.825 -10.472 1.00 10.31 C ATOM 550 C PHE A 34 -20.247 -7.840 -9.309 1.00 12.44 C ATOM 551 O PHE A 34 -21.229 -7.618 -8.600 1.00 5.32 O ATOM 552 CB PHE A 34 -20.902 -8.126 -11.707 1.00 25.33 C ATOM 553 CG PHE A 34 -22.302 -7.619 -11.515 1.00 0.43 C ATOM 554 CD1 PHE A 34 -22.532 -6.397 -10.902 1.00 24.42 C ATOM 555 CD2 PHE A 34 -23.388 -8.363 -11.946 1.00 11.13 C ATOM 556 CE1 PHE A 34 -23.819 -5.929 -10.723 1.00 54.01 C ATOM 557 CE2 PHE A 34 -24.678 -7.899 -11.769 1.00 31.31 C ATOM 558 CZ PHE A 34 -24.895 -6.680 -11.158 1.00 65.34 C ATOM 0 H PHE A 34 -22.123 -9.912 -10.414 1.00 4.52 H new ATOM 0 HA PHE A 34 -19.324 -9.180 -10.697 1.00 10.31 H new ATOM 0 HB2 PHE A 34 -20.255 -7.290 -11.974 1.00 25.33 H new ATOM 0 HB3 PHE A 34 -20.888 -8.821 -12.547 1.00 25.33 H new ATOM 0 HD1 PHE A 34 -21.696 -5.805 -10.561 1.00 24.42 H new ATOM 0 HD2 PHE A 34 -23.225 -9.317 -12.426 1.00 11.13 H new ATOM 0 HE1 PHE A 34 -23.985 -4.976 -10.243 1.00 54.01 H new ATOM 0 HE2 PHE A 34 -25.516 -8.490 -12.109 1.00 31.31 H new ATOM 0 HZ PHE A 34 -25.902 -6.314 -11.020 1.00 65.34 H new ATOM 568 N GLU A 35 -19.069 -7.253 -9.120 1.00 61.04 N ATOM 569 CA GLU A 35 -18.858 -6.293 -8.044 1.00 31.23 C ATOM 570 C GLU A 35 -18.791 -4.869 -8.589 1.00 33.12 C ATOM 571 O GLU A 35 -17.756 -4.410 -9.070 1.00 4.54 O ATOM 572 CB GLU A 35 -17.572 -6.621 -7.283 1.00 51.21 C ATOM 573 CG GLU A 35 -17.569 -8.007 -6.659 1.00 51.34 C ATOM 574 CD GLU A 35 -18.430 -8.087 -5.413 1.00 23.10 C ATOM 575 OE1 GLU A 35 -19.301 -7.210 -5.235 1.00 20.53 O ATOM 576 OE2 GLU A 35 -18.230 -9.027 -4.615 1.00 64.01 O ATOM 0 H GLU A 35 -18.247 -7.426 -9.698 1.00 61.04 H new ATOM 0 HA GLU A 35 -19.704 -6.362 -7.360 1.00 31.23 H new ATOM 0 HB2 GLU A 35 -16.725 -6.537 -7.964 1.00 51.21 H new ATOM 0 HB3 GLU A 35 -17.425 -5.879 -6.499 1.00 51.21 H new ATOM 0 HG2 GLU A 35 -17.927 -8.732 -7.391 1.00 51.34 H new ATOM 0 HG3 GLU A 35 -16.546 -8.286 -6.408 1.00 51.34 H new ATOM 583 N PRO A 36 -19.923 -4.153 -8.514 1.00 35.35 N ATOM 584 CA PRO A 36 -20.020 -2.773 -8.995 1.00 14.45 C ATOM 585 C PRO A 36 -19.231 -1.800 -8.125 1.00 11.43 C ATOM 586 O PRO A 36 -19.145 -1.968 -6.908 1.00 75.51 O ATOM 587 CB PRO A 36 -21.518 -2.471 -8.910 1.00 70.21 C ATOM 588 CG PRO A 36 -22.031 -3.391 -7.856 1.00 53.12 C ATOM 589 CD PRO A 36 -21.196 -4.638 -7.953 1.00 41.43 C ATOM 0 HA PRO A 36 -19.605 -2.661 -9.997 1.00 14.45 H new ATOM 0 HB2 PRO A 36 -21.697 -1.429 -8.647 1.00 70.21 H new ATOM 0 HB3 PRO A 36 -22.012 -2.648 -9.865 1.00 70.21 H new ATOM 0 HG2 PRO A 36 -21.944 -2.939 -6.868 1.00 53.12 H new ATOM 0 HG3 PRO A 36 -23.086 -3.615 -8.013 1.00 53.12 H new ATOM 0 HD2 PRO A 36 -21.054 -5.103 -6.978 1.00 41.43 H new ATOM 0 HD3 PRO A 36 -21.661 -5.384 -8.598 1.00 41.43 H new ATOM 597 N SER A 37 -18.657 -0.780 -8.756 1.00 25.41 N ATOM 598 CA SER A 37 -17.873 0.218 -8.039 1.00 3.13 C ATOM 599 C SER A 37 -18.780 1.172 -7.269 1.00 13.14 C ATOM 600 O SER A 37 -18.547 1.454 -6.092 1.00 21.03 O ATOM 601 CB SER A 37 -16.997 1.007 -9.015 1.00 71.42 C ATOM 602 OG SER A 37 -16.160 1.919 -8.327 1.00 52.51 O ATOM 0 H SER A 37 -18.720 -0.624 -9.762 1.00 25.41 H new ATOM 0 HA SER A 37 -17.234 -0.303 -7.326 1.00 3.13 H new ATOM 0 HB2 SER A 37 -16.387 0.318 -9.599 1.00 71.42 H new ATOM 0 HB3 SER A 37 -17.629 1.549 -9.719 1.00 71.42 H new ATOM 0 HG SER A 37 -15.610 2.409 -8.973 1.00 52.51 H new ATOM 608 N CYS A 38 -19.815 1.665 -7.940 1.00 14.25 N ATOM 609 CA CYS A 38 -20.759 2.588 -7.318 1.00 63.42 C ATOM 610 C CYS A 38 -22.193 2.100 -7.496 1.00 14.03 C ATOM 611 O CYS A 38 -22.472 1.252 -8.344 1.00 42.12 O ATOM 612 CB CYS A 38 -20.606 3.986 -7.918 1.00 1.12 C ATOM 613 SG CYS A 38 -21.104 4.106 -9.652 1.00 65.52 S ATOM 0 H CYS A 38 -20.022 1.442 -8.913 1.00 14.25 H new ATOM 0 HA CYS A 38 -20.539 2.631 -6.251 1.00 63.42 H new ATOM 0 HB2 CYS A 38 -21.199 4.688 -7.332 1.00 1.12 H new ATOM 0 HB3 CYS A 38 -19.565 4.296 -7.828 1.00 1.12 H new ATOM 0 HG CYS A 38 -20.940 5.327 -10.067 1.00 65.52 H new ATOM 619 N THR A 39 -23.100 2.640 -6.689 1.00 14.24 N ATOM 620 CA THR A 39 -24.505 2.258 -6.754 1.00 34.14 C ATOM 621 C THR A 39 -25.389 3.460 -7.066 1.00 5.45 C ATOM 622 O THR A 39 -25.015 4.602 -6.796 1.00 20.33 O ATOM 623 CB THR A 39 -24.976 1.619 -5.433 1.00 60.22 C ATOM 624 OG1 THR A 39 -26.397 1.445 -5.452 1.00 31.12 O ATOM 625 CG2 THR A 39 -24.581 2.481 -4.243 1.00 45.42 C ATOM 0 H THR A 39 -22.887 3.344 -5.982 1.00 14.24 H new ATOM 0 HA THR A 39 -24.595 1.526 -7.556 1.00 34.14 H new ATOM 0 HB THR A 39 -24.493 0.647 -5.333 1.00 60.22 H new ATOM 0 HG1 THR A 39 -26.688 1.037 -4.610 1.00 31.12 H new ATOM 0 HG21 THR A 39 -24.924 2.009 -3.322 1.00 45.42 H new ATOM 0 HG22 THR A 39 -23.497 2.587 -4.214 1.00 45.42 H new ATOM 0 HG23 THR A 39 -25.039 3.465 -4.339 1.00 45.42 H new ATOM 633 N GLN A 40 -26.560 3.197 -7.635 1.00 21.34 N ATOM 634 CA GLN A 40 -27.496 4.259 -7.983 1.00 2.25 C ATOM 635 C GLN A 40 -28.922 3.724 -8.061 1.00 51.31 C ATOM 636 O GLN A 40 -29.137 2.524 -8.230 1.00 41.04 O ATOM 637 CB GLN A 40 -27.103 4.896 -9.317 1.00 15.41 C ATOM 638 CG GLN A 40 -27.560 6.339 -9.460 1.00 24.13 C ATOM 639 CD GLN A 40 -28.943 6.456 -10.070 1.00 42.45 C ATOM 640 OE1 GLN A 40 -29.270 5.761 -11.032 1.00 54.52 O ATOM 641 NE2 GLN A 40 -29.763 7.338 -9.512 1.00 12.54 N ATOM 0 H GLN A 40 -26.884 2.257 -7.865 1.00 21.34 H new ATOM 0 HA GLN A 40 -27.455 5.017 -7.201 1.00 2.25 H new ATOM 0 HB2 GLN A 40 -26.019 4.854 -9.425 1.00 15.41 H new ATOM 0 HB3 GLN A 40 -27.527 4.307 -10.130 1.00 15.41 H new ATOM 0 HG2 GLN A 40 -27.558 6.815 -8.480 1.00 24.13 H new ATOM 0 HG3 GLN A 40 -26.847 6.882 -10.080 1.00 24.13 H new ATOM 0 HE21 GLN A 40 -29.450 7.893 -8.716 1.00 12.54 H new ATOM 0 HE22 GLN A 40 -30.707 7.461 -9.879 1.00 12.54 H new ATOM 650 N TYR A 41 -29.893 4.623 -7.938 1.00 14.13 N ATOM 651 CA TYR A 41 -31.299 4.241 -7.991 1.00 70.15 C ATOM 652 C TYR A 41 -31.641 3.611 -9.338 1.00 64.42 C ATOM 653 O TYR A 41 -31.279 4.133 -10.392 1.00 62.04 O ATOM 654 CB TYR A 41 -32.190 5.460 -7.746 1.00 73.31 C ATOM 655 CG TYR A 41 -32.388 5.779 -6.281 1.00 44.34 C ATOM 656 CD1 TYR A 41 -32.830 4.809 -5.391 1.00 65.43 C ATOM 657 CD2 TYR A 41 -32.133 7.053 -5.788 1.00 1.11 C ATOM 658 CE1 TYR A 41 -33.012 5.096 -4.052 1.00 44.32 C ATOM 659 CE2 TYR A 41 -32.310 7.350 -4.450 1.00 13.21 C ATOM 660 CZ TYR A 41 -32.750 6.369 -3.587 1.00 33.41 C ATOM 661 OH TYR A 41 -32.930 6.661 -2.254 1.00 71.52 O ATOM 0 H TYR A 41 -29.732 5.621 -7.801 1.00 14.13 H new ATOM 0 HA TYR A 41 -31.479 3.504 -7.208 1.00 70.15 H new ATOM 0 HB2 TYR A 41 -31.752 6.326 -8.242 1.00 73.31 H new ATOM 0 HB3 TYR A 41 -33.163 5.287 -8.207 1.00 73.31 H new ATOM 0 HD1 TYR A 41 -33.035 3.812 -5.752 1.00 65.43 H new ATOM 0 HD2 TYR A 41 -31.791 7.824 -6.462 1.00 1.11 H new ATOM 0 HE1 TYR A 41 -33.357 4.330 -3.374 1.00 44.32 H new ATOM 0 HE2 TYR A 41 -32.105 8.345 -4.083 1.00 13.21 H new ATOM 0 HH TYR A 41 -32.700 7.600 -2.091 1.00 71.52 H new ATOM 671 N THR A 42 -32.343 2.482 -9.295 1.00 45.51 N ATOM 672 CA THR A 42 -32.734 1.779 -10.510 1.00 21.21 C ATOM 673 C THR A 42 -33.742 2.590 -11.315 1.00 14.53 C ATOM 674 O THR A 42 -34.815 2.932 -10.819 1.00 10.55 O ATOM 675 CB THR A 42 -33.342 0.400 -10.189 1.00 0.04 C ATOM 676 OG1 THR A 42 -34.368 0.535 -9.200 1.00 13.24 O ATOM 677 CG2 THR A 42 -32.272 -0.560 -9.690 1.00 73.22 C ATOM 0 H THR A 42 -32.652 2.036 -8.431 1.00 45.51 H new ATOM 0 HA THR A 42 -31.828 1.641 -11.101 1.00 21.21 H new ATOM 0 HB THR A 42 -33.773 -0.005 -11.105 1.00 0.04 H new ATOM 0 HG1 THR A 42 -34.857 1.371 -9.348 1.00 13.24 H new ATOM 0 HG21 THR A 42 -32.725 -1.527 -9.470 1.00 73.22 H new ATOM 0 HG22 THR A 42 -31.508 -0.684 -10.457 1.00 73.22 H new ATOM 0 HG23 THR A 42 -31.816 -0.158 -8.785 1.00 73.22 H new ATOM 685 N GLU A 43 -33.391 2.895 -12.560 1.00 65.51 N ATOM 686 CA GLU A 43 -34.266 3.668 -13.433 1.00 71.43 C ATOM 687 C GLU A 43 -35.566 2.916 -13.702 1.00 75.33 C ATOM 688 O GLU A 43 -35.659 1.701 -13.528 1.00 33.13 O ATOM 689 CB GLU A 43 -33.561 3.977 -14.756 1.00 31.32 C ATOM 690 CG GLU A 43 -32.767 5.272 -14.733 1.00 41.12 C ATOM 691 CD GLU A 43 -32.455 5.789 -16.124 1.00 40.42 C ATOM 692 OE1 GLU A 43 -33.324 6.465 -16.714 1.00 35.40 O ATOM 693 OE2 GLU A 43 -31.343 5.520 -16.622 1.00 41.31 O ATOM 0 H GLU A 43 -32.507 2.619 -12.987 1.00 65.51 H new ATOM 0 HA GLU A 43 -34.504 4.605 -12.929 1.00 71.43 H new ATOM 0 HB2 GLU A 43 -32.890 3.154 -15.002 1.00 31.32 H new ATOM 0 HB3 GLU A 43 -34.305 4.031 -15.551 1.00 31.32 H new ATOM 0 HG2 GLU A 43 -33.329 6.029 -14.186 1.00 41.12 H new ATOM 0 HG3 GLU A 43 -31.835 5.113 -14.191 1.00 41.12 H new ATOM 700 N PRO A 44 -36.598 3.656 -14.137 1.00 4.05 N ATOM 701 CA PRO A 44 -37.912 3.082 -14.439 1.00 31.45 C ATOM 702 C PRO A 44 -37.889 2.204 -15.686 1.00 12.31 C ATOM 703 O PRO A 44 -38.750 1.343 -15.868 1.00 10.45 O ATOM 704 CB PRO A 44 -38.793 4.313 -14.666 1.00 73.33 C ATOM 705 CG PRO A 44 -37.848 5.381 -15.094 1.00 44.03 C ATOM 706 CD PRO A 44 -36.560 5.110 -14.367 1.00 22.45 C ATOM 0 HA PRO A 44 -38.265 2.430 -13.640 1.00 31.45 H new ATOM 0 HB2 PRO A 44 -39.548 4.124 -15.429 1.00 73.33 H new ATOM 0 HB3 PRO A 44 -39.322 4.594 -13.756 1.00 73.33 H new ATOM 0 HG2 PRO A 44 -37.699 5.360 -16.174 1.00 44.03 H new ATOM 0 HG3 PRO A 44 -38.236 6.369 -14.845 1.00 44.03 H new ATOM 0 HD2 PRO A 44 -35.694 5.400 -14.962 1.00 22.45 H new ATOM 0 HD3 PRO A 44 -36.503 5.664 -13.430 1.00 22.45 H new ATOM 714 N LEU A 45 -36.899 2.429 -16.542 1.00 61.02 N ATOM 715 CA LEU A 45 -36.763 1.658 -17.774 1.00 1.12 C ATOM 716 C LEU A 45 -35.973 0.377 -17.530 1.00 22.33 C ATOM 717 O LEU A 45 -34.757 0.412 -17.345 1.00 43.50 O ATOM 718 CB LEU A 45 -36.075 2.498 -18.851 1.00 33.21 C ATOM 719 CG LEU A 45 -36.989 3.390 -19.692 1.00 63.40 C ATOM 720 CD1 LEU A 45 -37.375 4.640 -18.917 1.00 51.22 C ATOM 721 CD2 LEU A 45 -36.312 3.762 -21.004 1.00 25.53 C ATOM 0 H LEU A 45 -36.179 3.138 -16.407 1.00 61.02 H new ATOM 0 HA LEU A 45 -37.762 1.387 -18.116 1.00 1.12 H new ATOM 0 HB2 LEU A 45 -35.328 3.129 -18.369 1.00 33.21 H new ATOM 0 HB3 LEU A 45 -35.540 1.825 -19.521 1.00 33.21 H new ATOM 0 HG LEU A 45 -37.898 2.833 -19.920 1.00 63.40 H new ATOM 0 HD11 LEU A 45 -38.025 5.263 -19.531 1.00 51.22 H new ATOM 0 HD12 LEU A 45 -37.900 4.355 -18.005 1.00 51.22 H new ATOM 0 HD13 LEU A 45 -36.476 5.200 -18.658 1.00 51.22 H new ATOM 0 HD21 LEU A 45 -36.977 4.397 -21.589 1.00 25.53 H new ATOM 0 HD22 LEU A 45 -35.387 4.300 -20.796 1.00 25.53 H new ATOM 0 HD23 LEU A 45 -36.087 2.856 -21.567 1.00 25.53 H new ATOM 733 N MET A 46 -36.672 -0.754 -17.532 1.00 41.30 N ATOM 734 CA MET A 46 -36.035 -2.047 -17.314 1.00 5.23 C ATOM 735 C MET A 46 -36.481 -3.057 -18.365 1.00 63.40 C ATOM 736 O MET A 46 -37.393 -2.791 -19.147 1.00 65.40 O ATOM 737 CB MET A 46 -36.361 -2.571 -15.915 1.00 12.24 C ATOM 738 CG MET A 46 -35.746 -1.745 -14.796 1.00 61.21 C ATOM 739 SD MET A 46 -35.537 -2.686 -13.273 1.00 11.15 S ATOM 740 CE MET A 46 -33.757 -2.632 -13.081 1.00 51.05 C ATOM 0 H MET A 46 -37.680 -0.801 -17.682 1.00 41.30 H new ATOM 0 HA MET A 46 -34.957 -1.912 -17.401 1.00 5.23 H new ATOM 0 HB2 MET A 46 -37.443 -2.592 -15.787 1.00 12.24 H new ATOM 0 HB3 MET A 46 -36.010 -3.600 -15.831 1.00 12.24 H new ATOM 0 HG2 MET A 46 -34.777 -1.366 -15.120 1.00 61.21 H new ATOM 0 HG3 MET A 46 -36.378 -0.879 -14.600 1.00 61.21 H new ATOM 0 HE1 MET A 46 -33.472 -3.173 -12.179 1.00 51.05 H new ATOM 0 HE2 MET A 46 -33.283 -3.095 -13.947 1.00 51.05 H new ATOM 0 HE3 MET A 46 -33.431 -1.595 -13.000 1.00 51.05 H new ATOM 750 N ASN A 47 -35.830 -4.216 -18.380 1.00 35.23 N ATOM 751 CA ASN A 47 -36.161 -5.267 -19.336 1.00 43.54 C ATOM 752 C ASN A 47 -37.571 -5.797 -19.097 1.00 11.52 C ATOM 753 O ASN A 47 -38.461 -5.621 -19.930 1.00 22.52 O ATOM 754 CB ASN A 47 -35.150 -6.411 -19.239 1.00 51.41 C ATOM 755 CG ASN A 47 -33.967 -6.218 -20.168 1.00 60.23 C ATOM 756 OD1 ASN A 47 -32.816 -6.203 -19.732 1.00 0.04 O ATOM 757 ND2 ASN A 47 -34.247 -6.070 -21.458 1.00 1.32 N ATOM 0 H ASN A 47 -35.070 -4.451 -17.741 1.00 35.23 H new ATOM 0 HA ASN A 47 -36.119 -4.838 -20.337 1.00 43.54 H new ATOM 0 HB2 ASN A 47 -34.793 -6.490 -18.212 1.00 51.41 H new ATOM 0 HB3 ASN A 47 -35.646 -7.352 -19.478 1.00 51.41 H new ATOM 0 HD21 ASN A 47 -33.493 -5.937 -22.132 1.00 1.32 H new ATOM 0 HD22 ASN A 47 -35.216 -6.089 -21.775 1.00 1.32 H new ATOM 764 N TRP A 48 -37.767 -6.445 -17.955 1.00 23.04 N ATOM 765 CA TRP A 48 -39.069 -7.000 -17.605 1.00 61.31 C ATOM 766 C TRP A 48 -39.219 -7.129 -16.093 1.00 63.25 C ATOM 767 O TRP A 48 -38.229 -7.254 -15.370 1.00 32.42 O ATOM 768 CB TRP A 48 -39.258 -8.367 -18.267 1.00 14.15 C ATOM 769 CG TRP A 48 -40.697 -8.740 -18.459 1.00 4.34 C ATOM 770 CD1 TRP A 48 -41.363 -9.771 -17.859 1.00 61.52 C ATOM 771 CD2 TRP A 48 -41.646 -8.087 -19.309 1.00 2.24 C ATOM 772 NE1 TRP A 48 -42.669 -9.798 -18.286 1.00 44.24 N ATOM 773 CE2 TRP A 48 -42.868 -8.775 -19.174 1.00 41.45 C ATOM 774 CE3 TRP A 48 -41.582 -6.987 -20.168 1.00 55.14 C ATOM 775 CZ2 TRP A 48 -44.014 -8.397 -19.869 1.00 70.33 C ATOM 776 CZ3 TRP A 48 -42.721 -6.614 -20.857 1.00 40.11 C ATOM 777 CH2 TRP A 48 -43.924 -7.317 -20.704 1.00 11.10 C ATOM 0 H TRP A 48 -37.041 -6.599 -17.255 1.00 23.04 H new ATOM 0 HA TRP A 48 -39.836 -6.317 -17.970 1.00 61.31 H new ATOM 0 HB2 TRP A 48 -38.758 -8.366 -19.236 1.00 14.15 H new ATOM 0 HB3 TRP A 48 -38.771 -9.128 -17.658 1.00 14.15 H new ATOM 0 HD1 TRP A 48 -40.927 -10.463 -17.153 1.00 61.52 H new ATOM 0 HE1 TRP A 48 -43.376 -10.471 -17.989 1.00 44.24 H new ATOM 0 HE3 TRP A 48 -40.660 -6.438 -20.291 1.00 55.14 H new ATOM 0 HZ2 TRP A 48 -44.942 -8.938 -19.753 1.00 70.33 H new ATOM 0 HZ3 TRP A 48 -42.683 -5.766 -21.525 1.00 40.11 H new ATOM 0 HH2 TRP A 48 -44.797 -7.000 -21.256 1.00 11.10 H new ATOM 788 N THR A 49 -40.461 -7.098 -15.620 1.00 45.23 N ATOM 789 CA THR A 49 -40.739 -7.210 -14.194 1.00 44.20 C ATOM 790 C THR A 49 -39.827 -6.296 -13.382 1.00 41.14 C ATOM 791 O THR A 49 -38.899 -6.758 -12.719 1.00 75.32 O ATOM 792 CB THR A 49 -40.566 -8.659 -13.700 1.00 4.43 C ATOM 793 OG1 THR A 49 -39.495 -9.294 -14.409 1.00 55.34 O ATOM 794 CG2 THR A 49 -41.849 -9.452 -13.891 1.00 32.51 C ATOM 0 H THR A 49 -41.291 -6.996 -16.204 1.00 45.23 H new ATOM 0 HA THR A 49 -41.776 -6.906 -14.049 1.00 44.20 H new ATOM 0 HB THR A 49 -40.330 -8.632 -12.636 1.00 4.43 H new ATOM 0 HG1 THR A 49 -38.687 -8.743 -14.344 1.00 55.34 H new ATOM 0 HG21 THR A 49 -41.703 -10.472 -13.535 1.00 32.51 H new ATOM 0 HG22 THR A 49 -42.654 -8.983 -13.326 1.00 32.51 H new ATOM 0 HG23 THR A 49 -42.111 -9.471 -14.949 1.00 32.51 H new ATOM 802 N GLY A 50 -40.097 -4.995 -13.439 1.00 72.45 N ATOM 803 CA GLY A 50 -39.292 -4.037 -12.705 1.00 35.21 C ATOM 804 C GLY A 50 -40.069 -2.788 -12.339 1.00 2.14 C ATOM 805 O GLY A 50 -39.495 -1.706 -12.216 1.00 64.35 O ATOM 0 H GLY A 50 -40.859 -4.588 -13.981 1.00 72.45 H new ATOM 0 HA2 GLY A 50 -38.914 -4.505 -11.796 1.00 35.21 H new ATOM 0 HA3 GLY A 50 -38.425 -3.759 -13.305 1.00 35.21 H new ATOM 809 N SER A 51 -41.377 -2.937 -12.164 1.00 75.42 N ATOM 810 CA SER A 51 -42.236 -1.810 -11.814 1.00 3.12 C ATOM 811 C SER A 51 -42.054 -1.424 -10.349 1.00 52.15 C ATOM 812 O SER A 51 -41.821 -0.258 -10.028 1.00 11.15 O ATOM 813 CB SER A 51 -43.701 -2.154 -12.085 1.00 62.10 C ATOM 814 OG SER A 51 -43.989 -3.490 -11.711 1.00 62.32 O ATOM 0 H SER A 51 -41.867 -3.827 -12.259 1.00 75.42 H new ATOM 0 HA SER A 51 -41.950 -0.960 -12.434 1.00 3.12 H new ATOM 0 HB2 SER A 51 -44.346 -1.471 -11.532 1.00 62.10 H new ATOM 0 HB3 SER A 51 -43.921 -2.014 -13.143 1.00 62.10 H new ATOM 0 HG SER A 51 -44.932 -3.684 -11.893 1.00 62.32 H new ATOM 820 N HIS A 52 -42.164 -2.410 -9.465 1.00 65.34 N ATOM 821 CA HIS A 52 -42.012 -2.175 -8.034 1.00 64.24 C ATOM 822 C HIS A 52 -41.244 -3.317 -7.375 1.00 3.32 C ATOM 823 O HIS A 52 -41.719 -4.452 -7.329 1.00 3.34 O ATOM 824 CB HIS A 52 -43.382 -2.018 -7.374 1.00 23.42 C ATOM 825 CG HIS A 52 -43.325 -1.378 -6.021 1.00 61.11 C ATOM 826 ND1 HIS A 52 -44.309 -1.540 -5.069 1.00 72.14 N ATOM 827 CD2 HIS A 52 -42.392 -0.573 -5.461 1.00 53.32 C ATOM 828 CE1 HIS A 52 -43.986 -0.860 -3.984 1.00 21.53 C ATOM 829 NE2 HIS A 52 -42.826 -0.264 -4.196 1.00 54.00 N ATOM 0 H HIS A 52 -42.358 -3.380 -9.715 1.00 65.34 H new ATOM 0 HA HIS A 52 -41.445 -1.254 -7.900 1.00 64.24 H new ATOM 0 HB2 HIS A 52 -44.022 -1.421 -8.023 1.00 23.42 H new ATOM 0 HB3 HIS A 52 -43.847 -3.000 -7.283 1.00 23.42 H new ATOM 0 HD2 HIS A 52 -41.476 -0.236 -5.924 1.00 53.32 H new ATOM 0 HE1 HIS A 52 -44.570 -0.801 -3.078 1.00 21.53 H new ATOM 0 HE2 HIS A 52 -42.333 0.329 -3.528 1.00 54.00 H new ATOM 837 N ASP A 53 -40.056 -3.007 -6.867 1.00 24.14 N ATOM 838 CA ASP A 53 -39.222 -4.007 -6.209 1.00 62.41 C ATOM 839 C ASP A 53 -38.139 -3.342 -5.366 1.00 23.11 C ATOM 840 O ASP A 53 -37.214 -2.724 -5.897 1.00 13.04 O ATOM 841 CB ASP A 53 -38.582 -4.931 -7.247 1.00 11.01 C ATOM 842 CG ASP A 53 -38.295 -6.313 -6.694 1.00 33.02 C ATOM 843 OD1 ASP A 53 -38.303 -6.469 -5.454 1.00 43.13 O ATOM 844 OD2 ASP A 53 -38.063 -7.238 -7.499 1.00 51.53 O ATOM 0 H ASP A 53 -39.649 -2.072 -6.898 1.00 24.14 H new ATOM 0 HA ASP A 53 -39.858 -4.598 -5.550 1.00 62.41 H new ATOM 0 HB2 ASP A 53 -39.244 -5.018 -8.109 1.00 11.01 H new ATOM 0 HB3 ASP A 53 -37.653 -4.485 -7.602 1.00 11.01 H new ATOM 849 N THR A 54 -38.260 -3.471 -4.048 1.00 44.41 N ATOM 850 CA THR A 54 -37.293 -2.880 -3.131 1.00 50.51 C ATOM 851 C THR A 54 -35.896 -3.444 -3.366 1.00 73.40 C ATOM 852 O THR A 54 -34.909 -2.708 -3.362 1.00 71.03 O ATOM 853 CB THR A 54 -37.692 -3.122 -1.663 1.00 32.01 C ATOM 854 OG1 THR A 54 -39.044 -2.704 -1.447 1.00 60.00 O ATOM 855 CG2 THR A 54 -36.767 -2.367 -0.719 1.00 24.52 C ATOM 0 H THR A 54 -39.018 -3.979 -3.592 1.00 44.41 H new ATOM 0 HA THR A 54 -37.286 -1.808 -3.326 1.00 50.51 H new ATOM 0 HB THR A 54 -37.604 -4.189 -1.458 1.00 32.01 H new ATOM 0 HG1 THR A 54 -39.290 -2.863 -0.512 1.00 60.00 H new ATOM 0 HG21 THR A 54 -37.068 -2.553 0.312 1.00 24.52 H new ATOM 0 HG22 THR A 54 -35.742 -2.708 -0.865 1.00 24.52 H new ATOM 0 HG23 THR A 54 -36.828 -1.299 -0.927 1.00 24.52 H new ATOM 863 N LYS A 55 -35.819 -4.754 -3.571 1.00 74.10 N ATOM 864 CA LYS A 55 -34.544 -5.418 -3.810 1.00 22.20 C ATOM 865 C LYS A 55 -33.924 -4.949 -5.122 1.00 41.15 C ATOM 866 O LYS A 55 -34.598 -4.346 -5.956 1.00 53.12 O ATOM 867 CB LYS A 55 -34.732 -6.936 -3.837 1.00 71.30 C ATOM 868 CG LYS A 55 -34.605 -7.590 -2.472 1.00 62.41 C ATOM 869 CD LYS A 55 -35.779 -7.240 -1.574 1.00 72.44 C ATOM 870 CE LYS A 55 -37.075 -7.846 -2.090 1.00 12.04 C ATOM 871 NZ LYS A 55 -36.970 -9.323 -2.256 1.00 43.43 N ATOM 0 H LYS A 55 -36.626 -5.378 -3.576 1.00 74.10 H new ATOM 0 HA LYS A 55 -33.869 -5.157 -2.995 1.00 22.20 H new ATOM 0 HB2 LYS A 55 -35.715 -7.164 -4.250 1.00 71.30 H new ATOM 0 HB3 LYS A 55 -33.994 -7.373 -4.510 1.00 71.30 H new ATOM 0 HG2 LYS A 55 -34.546 -8.672 -2.590 1.00 62.41 H new ATOM 0 HG3 LYS A 55 -33.676 -7.270 -1.999 1.00 62.41 H new ATOM 0 HD2 LYS A 55 -35.585 -7.599 -0.563 1.00 72.44 H new ATOM 0 HD3 LYS A 55 -35.882 -6.157 -1.513 1.00 72.44 H new ATOM 0 HE2 LYS A 55 -37.885 -7.615 -1.398 1.00 12.04 H new ATOM 0 HE3 LYS A 55 -37.333 -7.391 -3.046 1.00 12.04 H new ATOM 0 HZ1 LYS A 55 -37.923 -9.733 -2.326 1.00 43.43 H new ATOM 0 HZ2 LYS A 55 -36.436 -9.538 -3.122 1.00 43.43 H new ATOM 0 HZ3 LYS A 55 -36.477 -9.730 -1.436 1.00 43.43 H new ATOM 885 N GLN A 56 -32.637 -5.230 -5.297 1.00 21.21 N ATOM 886 CA GLN A 56 -31.927 -4.838 -6.509 1.00 55.23 C ATOM 887 C GLN A 56 -31.062 -5.981 -7.029 1.00 1.24 C ATOM 888 O GLN A 56 -30.142 -6.433 -6.348 1.00 44.40 O ATOM 889 CB GLN A 56 -31.060 -3.606 -6.241 1.00 22.43 C ATOM 890 CG GLN A 56 -31.862 -2.341 -5.981 1.00 23.22 C ATOM 891 CD GLN A 56 -30.998 -1.190 -5.504 1.00 71.23 C ATOM 892 OE1 GLN A 56 -30.236 -0.610 -6.278 1.00 13.23 O ATOM 893 NE2 GLN A 56 -31.114 -0.853 -4.225 1.00 71.31 N ATOM 0 H GLN A 56 -32.065 -5.728 -4.615 1.00 21.21 H new ATOM 0 HA GLN A 56 -32.668 -4.594 -7.271 1.00 55.23 H new ATOM 0 HB2 GLN A 56 -30.420 -3.803 -5.381 1.00 22.43 H new ATOM 0 HB3 GLN A 56 -30.404 -3.441 -7.096 1.00 22.43 H new ATOM 0 HG2 GLN A 56 -32.378 -2.048 -6.895 1.00 23.22 H new ATOM 0 HG3 GLN A 56 -32.629 -2.548 -5.235 1.00 23.22 H new ATOM 0 HE21 GLN A 56 -31.759 -1.362 -3.620 1.00 71.31 H new ATOM 0 HE22 GLN A 56 -30.559 -0.085 -3.847 1.00 71.31 H new ATOM 902 N GLN A 57 -31.364 -6.443 -8.237 1.00 35.32 N ATOM 903 CA GLN A 57 -30.614 -7.534 -8.847 1.00 23.44 C ATOM 904 C GLN A 57 -29.122 -7.217 -8.882 1.00 52.21 C ATOM 905 O GLN A 57 -28.676 -6.369 -9.656 1.00 34.01 O ATOM 906 CB GLN A 57 -31.123 -7.804 -10.263 1.00 74.33 C ATOM 907 CG GLN A 57 -31.221 -9.283 -10.604 1.00 2.51 C ATOM 908 CD GLN A 57 -31.159 -9.542 -12.097 1.00 33.22 C ATOM 909 OE1 GLN A 57 -32.042 -10.187 -12.663 1.00 11.21 O ATOM 910 NE2 GLN A 57 -30.114 -9.041 -12.742 1.00 45.22 N ATOM 0 H GLN A 57 -32.123 -6.079 -8.813 1.00 35.32 H new ATOM 0 HA GLN A 57 -30.763 -8.427 -8.239 1.00 23.44 H new ATOM 0 HB2 GLN A 57 -32.106 -7.347 -10.380 1.00 74.33 H new ATOM 0 HB3 GLN A 57 -30.458 -7.318 -10.978 1.00 74.33 H new ATOM 0 HG2 GLN A 57 -30.410 -9.820 -10.112 1.00 2.51 H new ATOM 0 HG3 GLN A 57 -32.155 -9.682 -10.208 1.00 2.51 H new ATOM 0 HE21 GLN A 57 -29.406 -8.513 -12.233 1.00 45.22 H new ATOM 0 HE22 GLN A 57 -30.019 -9.184 -13.747 1.00 45.22 H new ATOM 919 N VAL A 58 -28.356 -7.901 -8.040 1.00 65.20 N ATOM 920 CA VAL A 58 -26.914 -7.693 -7.976 1.00 62.00 C ATOM 921 C VAL A 58 -26.158 -8.936 -8.428 1.00 70.52 C ATOM 922 O VAL A 58 -25.058 -8.843 -8.975 1.00 52.44 O ATOM 923 CB VAL A 58 -26.463 -7.322 -6.550 1.00 74.25 C ATOM 924 CG1 VAL A 58 -26.911 -5.912 -6.198 1.00 51.43 C ATOM 925 CG2 VAL A 58 -27.002 -8.327 -5.543 1.00 70.42 C ATOM 0 H VAL A 58 -28.710 -8.605 -7.392 1.00 65.20 H new ATOM 0 HA VAL A 58 -26.684 -6.867 -8.649 1.00 62.00 H new ATOM 0 HB VAL A 58 -25.374 -7.352 -6.513 1.00 74.25 H new ATOM 0 HG11 VAL A 58 -26.583 -5.668 -5.187 1.00 51.43 H new ATOM 0 HG12 VAL A 58 -26.473 -5.205 -6.902 1.00 51.43 H new ATOM 0 HG13 VAL A 58 -27.998 -5.852 -6.252 1.00 51.43 H new ATOM 0 HG21 VAL A 58 -26.674 -8.050 -4.541 1.00 70.42 H new ATOM 0 HG22 VAL A 58 -28.091 -8.331 -5.580 1.00 70.42 H new ATOM 0 HG23 VAL A 58 -26.627 -9.322 -5.785 1.00 70.42 H new ATOM 935 N CYS A 59 -26.754 -10.101 -8.199 1.00 13.01 N ATOM 936 CA CYS A 59 -26.137 -11.366 -8.583 1.00 1.40 C ATOM 937 C CYS A 59 -27.053 -12.158 -9.509 1.00 23.20 C ATOM 938 O CYS A 59 -28.272 -11.987 -9.491 1.00 53.22 O ATOM 939 CB CYS A 59 -25.806 -12.194 -7.341 1.00 34.33 C ATOM 940 SG CYS A 59 -27.256 -12.874 -6.500 1.00 52.11 S ATOM 0 H CYS A 59 -27.664 -10.196 -7.749 1.00 13.01 H new ATOM 0 HA CYS A 59 -25.214 -11.144 -9.118 1.00 1.40 H new ATOM 0 HB2 CYS A 59 -25.148 -13.014 -7.629 1.00 34.33 H new ATOM 0 HB3 CYS A 59 -25.251 -11.571 -6.639 1.00 34.33 H new ATOM 0 HG CYS A 59 -28.287 -12.804 -7.288 1.00 52.11 H new ATOM 946 N LEU A 60 -26.457 -13.026 -10.320 1.00 24.00 N ATOM 947 CA LEU A 60 -27.219 -13.845 -11.257 1.00 24.13 C ATOM 948 C LEU A 60 -26.544 -15.196 -11.472 1.00 2.02 C ATOM 949 O LEU A 60 -25.402 -15.403 -11.061 1.00 30.22 O ATOM 950 CB LEU A 60 -27.370 -13.119 -12.595 1.00 2.42 C ATOM 951 CG LEU A 60 -26.085 -12.921 -13.399 1.00 62.33 C ATOM 952 CD1 LEU A 60 -26.369 -13.025 -14.891 1.00 1.51 C ATOM 953 CD2 LEU A 60 -25.448 -11.579 -13.068 1.00 33.44 C ATOM 0 H LEU A 60 -25.449 -13.181 -10.348 1.00 24.00 H new ATOM 0 HA LEU A 60 -28.207 -14.016 -10.831 1.00 24.13 H new ATOM 0 HB2 LEU A 60 -28.078 -13.675 -13.210 1.00 2.42 H new ATOM 0 HB3 LEU A 60 -27.812 -12.140 -12.407 1.00 2.42 H new ATOM 0 HG LEU A 60 -25.383 -13.709 -13.126 1.00 62.33 H new ATOM 0 HD11 LEU A 60 -25.443 -12.882 -15.448 1.00 1.51 H new ATOM 0 HD12 LEU A 60 -26.779 -14.010 -15.116 1.00 1.51 H new ATOM 0 HD13 LEU A 60 -27.088 -12.258 -15.179 1.00 1.51 H new ATOM 0 HD21 LEU A 60 -24.535 -11.456 -13.650 1.00 33.44 H new ATOM 0 HD22 LEU A 60 -26.144 -10.776 -13.311 1.00 33.44 H new ATOM 0 HD23 LEU A 60 -25.209 -11.542 -12.005 1.00 33.44 H new ATOM 965 N SER A 61 -27.257 -16.112 -12.120 1.00 53.23 N ATOM 966 CA SER A 61 -26.728 -17.444 -12.389 1.00 14.22 C ATOM 967 C SER A 61 -26.599 -17.684 -13.890 1.00 0.41 C ATOM 968 O SER A 61 -27.120 -16.918 -14.700 1.00 53.24 O ATOM 969 CB SER A 61 -27.632 -18.509 -11.767 1.00 33.41 C ATOM 970 OG SER A 61 -28.967 -18.381 -12.228 1.00 5.51 O ATOM 0 H SER A 61 -28.203 -15.956 -12.468 1.00 53.23 H new ATOM 0 HA SER A 61 -25.737 -17.512 -11.941 1.00 14.22 H new ATOM 0 HB2 SER A 61 -27.253 -19.501 -12.013 1.00 33.41 H new ATOM 0 HB3 SER A 61 -27.609 -18.420 -10.681 1.00 33.41 H new ATOM 0 HG SER A 61 -29.523 -19.075 -11.816 1.00 5.51 H new ATOM 976 N PHE A 62 -25.899 -18.754 -14.253 1.00 55.14 N ATOM 977 CA PHE A 62 -25.699 -19.096 -15.657 1.00 11.32 C ATOM 978 C PHE A 62 -25.707 -20.609 -15.854 1.00 11.42 C ATOM 979 O PHE A 62 -25.010 -21.343 -15.152 1.00 42.32 O ATOM 980 CB PHE A 62 -24.379 -18.512 -16.163 1.00 1.40 C ATOM 981 CG PHE A 62 -24.470 -17.059 -16.533 1.00 42.43 C ATOM 982 CD1 PHE A 62 -25.152 -16.662 -17.672 1.00 75.21 C ATOM 983 CD2 PHE A 62 -23.871 -16.090 -15.744 1.00 52.42 C ATOM 984 CE1 PHE A 62 -25.238 -15.325 -18.016 1.00 31.54 C ATOM 985 CE2 PHE A 62 -23.954 -14.752 -16.083 1.00 12.34 C ATOM 986 CZ PHE A 62 -24.638 -14.370 -17.221 1.00 0.23 C ATOM 0 H PHE A 62 -25.461 -19.399 -13.595 1.00 55.14 H new ATOM 0 HA PHE A 62 -26.521 -18.668 -16.230 1.00 11.32 H new ATOM 0 HB2 PHE A 62 -23.617 -18.636 -15.393 1.00 1.40 H new ATOM 0 HB3 PHE A 62 -24.049 -19.080 -17.033 1.00 1.40 H new ATOM 0 HD1 PHE A 62 -25.622 -17.405 -18.299 1.00 75.21 H new ATOM 0 HD2 PHE A 62 -23.333 -16.383 -14.854 1.00 52.42 H new ATOM 0 HE1 PHE A 62 -25.774 -15.029 -18.906 1.00 31.54 H new ATOM 0 HE2 PHE A 62 -23.485 -14.006 -15.459 1.00 12.34 H new ATOM 0 HZ PHE A 62 -24.703 -13.326 -17.488 1.00 0.23 H new ATOM 996 N THR A 63 -26.501 -21.071 -16.814 1.00 54.12 N ATOM 997 CA THR A 63 -26.603 -22.496 -17.104 1.00 55.41 C ATOM 998 C THR A 63 -25.235 -23.092 -17.415 1.00 0.34 C ATOM 999 O THR A 63 -24.881 -24.157 -16.909 1.00 32.32 O ATOM 1000 CB THR A 63 -27.548 -22.761 -18.291 1.00 22.31 C ATOM 1001 OG1 THR A 63 -28.697 -21.913 -18.201 1.00 74.25 O ATOM 1002 CG2 THR A 63 -27.986 -24.218 -18.317 1.00 70.35 C ATOM 0 H THR A 63 -27.084 -20.478 -17.405 1.00 54.12 H new ATOM 0 HA THR A 63 -27.010 -22.972 -16.212 1.00 55.41 H new ATOM 0 HB THR A 63 -27.009 -22.543 -19.213 1.00 22.31 H new ATOM 0 HG1 THR A 63 -29.292 -22.086 -18.960 1.00 74.25 H new ATOM 0 HG21 THR A 63 -28.653 -24.382 -19.163 1.00 70.35 H new ATOM 0 HG22 THR A 63 -27.110 -24.860 -18.415 1.00 70.35 H new ATOM 0 HG23 THR A 63 -28.509 -24.457 -17.391 1.00 70.35 H new ATOM 1010 N THR A 64 -24.467 -22.397 -18.248 1.00 4.21 N ATOM 1011 CA THR A 64 -23.137 -22.858 -18.626 1.00 71.52 C ATOM 1012 C THR A 64 -22.100 -21.756 -18.446 1.00 20.00 C ATOM 1013 O THR A 64 -22.397 -20.576 -18.629 1.00 72.13 O ATOM 1014 CB THR A 64 -23.105 -23.344 -20.088 1.00 55.25 C ATOM 1015 OG1 THR A 64 -24.059 -22.614 -20.867 1.00 75.25 O ATOM 1016 CG2 THR A 64 -23.407 -24.832 -20.171 1.00 41.14 C ATOM 0 H THR A 64 -24.743 -21.512 -18.674 1.00 4.21 H new ATOM 0 HA THR A 64 -22.894 -23.692 -17.968 1.00 71.52 H new ATOM 0 HB THR A 64 -22.104 -23.171 -20.484 1.00 55.25 H new ATOM 0 HG1 THR A 64 -24.032 -22.927 -21.795 1.00 75.25 H new ATOM 0 HG21 THR A 64 -23.379 -25.151 -21.213 1.00 41.14 H new ATOM 0 HG22 THR A 64 -22.662 -25.387 -19.601 1.00 41.14 H new ATOM 0 HG23 THR A 64 -24.397 -25.026 -19.759 1.00 41.14 H new ATOM 1024 N ARG A 65 -20.883 -22.149 -18.085 1.00 52.20 N ATOM 1025 CA ARG A 65 -19.802 -21.192 -17.879 1.00 41.20 C ATOM 1026 C ARG A 65 -19.637 -20.287 -19.097 1.00 13.12 C ATOM 1027 O ARG A 65 -19.421 -19.083 -18.961 1.00 42.14 O ATOM 1028 CB ARG A 65 -18.490 -21.926 -17.596 1.00 42.10 C ATOM 1029 CG ARG A 65 -18.118 -22.942 -18.663 1.00 32.55 C ATOM 1030 CD ARG A 65 -17.029 -22.412 -19.583 1.00 1.45 C ATOM 1031 NE ARG A 65 -16.251 -23.489 -20.188 1.00 73.21 N ATOM 1032 CZ ARG A 65 -15.320 -24.178 -19.538 1.00 62.40 C ATOM 1033 NH1 ARG A 65 -15.053 -23.905 -18.268 1.00 41.21 N ATOM 1034 NH2 ARG A 65 -14.654 -25.145 -20.158 1.00 52.41 N ATOM 0 H ARG A 65 -20.621 -23.122 -17.929 1.00 52.20 H new ATOM 0 HA ARG A 65 -20.058 -20.573 -17.019 1.00 41.20 H new ATOM 0 HB2 ARG A 65 -17.687 -21.195 -17.507 1.00 42.10 H new ATOM 0 HB3 ARG A 65 -18.568 -22.433 -16.634 1.00 42.10 H new ATOM 0 HG2 ARG A 65 -17.778 -23.862 -18.188 1.00 32.55 H new ATOM 0 HG3 ARG A 65 -19.001 -23.194 -19.250 1.00 32.55 H new ATOM 0 HD2 ARG A 65 -17.481 -21.806 -20.368 1.00 1.45 H new ATOM 0 HD3 ARG A 65 -16.364 -21.758 -19.019 1.00 1.45 H new ATOM 0 HE ARG A 65 -16.432 -23.725 -21.164 1.00 73.21 H new ATOM 0 HH11 ARG A 65 -15.563 -23.164 -17.787 1.00 41.21 H new ATOM 0 HH12 ARG A 65 -14.337 -24.436 -17.772 1.00 41.21 H new ATOM 0 HH21 ARG A 65 -14.857 -25.359 -21.134 1.00 52.41 H new ATOM 0 HH22 ARG A 65 -13.939 -25.674 -19.658 1.00 52.41 H new ATOM 1048 N GLU A 66 -19.742 -20.875 -20.284 1.00 30.31 N ATOM 1049 CA GLU A 66 -19.603 -20.121 -21.525 1.00 21.22 C ATOM 1050 C GLU A 66 -20.537 -18.914 -21.535 1.00 34.00 C ATOM 1051 O GLU A 66 -20.228 -17.881 -22.129 1.00 43.34 O ATOM 1052 CB GLU A 66 -19.898 -21.018 -22.728 1.00 33.41 C ATOM 1053 CG GLU A 66 -18.791 -22.013 -23.032 1.00 30.05 C ATOM 1054 CD GLU A 66 -17.657 -21.399 -23.830 1.00 0.42 C ATOM 1055 OE1 GLU A 66 -16.807 -20.715 -23.222 1.00 45.00 O ATOM 1056 OE2 GLU A 66 -17.620 -21.603 -25.060 1.00 60.14 O ATOM 0 H GLU A 66 -19.923 -21.871 -20.413 1.00 30.31 H new ATOM 0 HA GLU A 66 -18.575 -19.764 -21.591 1.00 21.22 H new ATOM 0 HB2 GLU A 66 -20.824 -21.563 -22.546 1.00 33.41 H new ATOM 0 HB3 GLU A 66 -20.063 -20.392 -23.605 1.00 33.41 H new ATOM 0 HG2 GLU A 66 -18.398 -22.411 -22.096 1.00 30.05 H new ATOM 0 HG3 GLU A 66 -19.206 -22.855 -23.586 1.00 30.05 H new ATOM 1063 N LEU A 67 -21.681 -19.053 -20.873 1.00 70.34 N ATOM 1064 CA LEU A 67 -22.662 -17.975 -20.806 1.00 61.15 C ATOM 1065 C LEU A 67 -22.210 -16.889 -19.835 1.00 13.31 C ATOM 1066 O LEU A 67 -22.401 -15.700 -20.087 1.00 64.13 O ATOM 1067 CB LEU A 67 -24.024 -18.525 -20.378 1.00 51.42 C ATOM 1068 CG LEU A 67 -25.244 -17.878 -21.035 1.00 1.12 C ATOM 1069 CD1 LEU A 67 -25.184 -18.038 -22.546 1.00 55.35 C ATOM 1070 CD2 LEU A 67 -26.528 -18.481 -20.483 1.00 74.52 C ATOM 0 H LEU A 67 -21.952 -19.901 -20.375 1.00 70.34 H new ATOM 0 HA LEU A 67 -22.751 -17.534 -21.799 1.00 61.15 H new ATOM 0 HB2 LEU A 67 -24.045 -19.594 -20.591 1.00 51.42 H new ATOM 0 HB3 LEU A 67 -24.116 -18.413 -19.298 1.00 51.42 H new ATOM 0 HG LEU A 67 -25.237 -16.813 -20.803 1.00 1.12 H new ATOM 0 HD11 LEU A 67 -26.060 -17.572 -22.996 1.00 55.35 H new ATOM 0 HD12 LEU A 67 -24.282 -17.559 -22.927 1.00 55.35 H new ATOM 0 HD13 LEU A 67 -25.167 -19.098 -22.799 1.00 55.35 H new ATOM 0 HD21 LEU A 67 -27.386 -18.009 -20.961 1.00 74.52 H new ATOM 0 HD22 LEU A 67 -26.543 -19.552 -20.685 1.00 74.52 H new ATOM 0 HD23 LEU A 67 -26.575 -18.314 -19.407 1.00 74.52 H new ATOM 1082 N ALA A 68 -21.610 -17.307 -18.725 1.00 33.22 N ATOM 1083 CA ALA A 68 -21.128 -16.370 -17.718 1.00 54.44 C ATOM 1084 C ALA A 68 -19.976 -15.529 -18.258 1.00 13.44 C ATOM 1085 O ALA A 68 -20.093 -14.311 -18.389 1.00 51.14 O ATOM 1086 CB ALA A 68 -20.698 -17.117 -16.465 1.00 13.55 C ATOM 0 H ALA A 68 -21.446 -18.288 -18.501 1.00 33.22 H new ATOM 0 HA ALA A 68 -21.946 -15.696 -17.462 1.00 54.44 H new ATOM 0 HB1 ALA A 68 -20.340 -16.405 -15.722 1.00 13.55 H new ATOM 0 HB2 ALA A 68 -21.547 -17.668 -16.061 1.00 13.55 H new ATOM 0 HB3 ALA A 68 -19.898 -17.814 -16.714 1.00 13.55 H new ATOM 1092 N ILE A 69 -18.864 -16.187 -18.567 1.00 2.15 N ATOM 1093 CA ILE A 69 -17.691 -15.500 -19.092 1.00 25.12 C ATOM 1094 C ILE A 69 -18.053 -14.636 -20.295 1.00 22.15 C ATOM 1095 O ILE A 69 -17.482 -13.565 -20.497 1.00 11.53 O ATOM 1096 CB ILE A 69 -16.591 -16.497 -19.502 1.00 43.11 C ATOM 1097 CG1 ILE A 69 -16.133 -17.312 -18.291 1.00 31.33 C ATOM 1098 CG2 ILE A 69 -15.416 -15.761 -20.128 1.00 4.41 C ATOM 1099 CD1 ILE A 69 -16.620 -18.744 -18.308 1.00 22.54 C ATOM 0 H ILE A 69 -18.751 -17.195 -18.463 1.00 2.15 H new ATOM 0 HA ILE A 69 -17.313 -14.864 -18.292 1.00 25.12 H new ATOM 0 HB ILE A 69 -17.001 -17.183 -20.243 1.00 43.11 H new ATOM 0 HG12 ILE A 69 -15.044 -17.308 -18.251 1.00 31.33 H new ATOM 0 HG13 ILE A 69 -16.487 -16.827 -17.382 1.00 31.33 H new ATOM 0 HG21 ILE A 69 -14.647 -16.479 -20.413 1.00 4.41 H new ATOM 0 HG22 ILE A 69 -15.754 -15.222 -21.013 1.00 4.41 H new ATOM 0 HG23 ILE A 69 -15.004 -15.054 -19.408 1.00 4.41 H new ATOM 0 HD11 ILE A 69 -16.258 -19.262 -17.420 1.00 22.54 H new ATOM 0 HD12 ILE A 69 -17.710 -18.758 -18.317 1.00 22.54 H new ATOM 0 HD13 ILE A 69 -16.244 -19.246 -19.200 1.00 22.54 H new ATOM 1111 N ALA A 70 -19.007 -15.109 -21.091 1.00 4.43 N ATOM 1112 CA ALA A 70 -19.448 -14.378 -22.272 1.00 72.12 C ATOM 1113 C ALA A 70 -19.893 -12.965 -21.908 1.00 44.35 C ATOM 1114 O ALA A 70 -19.844 -12.056 -22.738 1.00 41.15 O ATOM 1115 CB ALA A 70 -20.577 -15.127 -22.965 1.00 42.50 C ATOM 0 H ALA A 70 -19.489 -15.995 -20.939 1.00 4.43 H new ATOM 0 HA ALA A 70 -18.604 -14.300 -22.957 1.00 72.12 H new ATOM 0 HB1 ALA A 70 -20.897 -14.570 -23.845 1.00 42.50 H new ATOM 0 HB2 ALA A 70 -20.227 -16.114 -23.268 1.00 42.50 H new ATOM 0 HB3 ALA A 70 -21.417 -15.235 -22.279 1.00 42.50 H new ATOM 1121 N TYR A 71 -20.326 -12.787 -20.665 1.00 44.32 N ATOM 1122 CA TYR A 71 -20.781 -11.485 -20.193 1.00 62.44 C ATOM 1123 C TYR A 71 -19.598 -10.576 -19.875 1.00 1.31 C ATOM 1124 O TYR A 71 -19.502 -9.461 -20.387 1.00 22.00 O ATOM 1125 CB TYR A 71 -21.663 -11.649 -18.954 1.00 2.51 C ATOM 1126 CG TYR A 71 -22.136 -10.336 -18.371 1.00 0.23 C ATOM 1127 CD1 TYR A 71 -22.836 -9.420 -19.147 1.00 21.23 C ATOM 1128 CD2 TYR A 71 -21.886 -10.013 -17.043 1.00 64.25 C ATOM 1129 CE1 TYR A 71 -23.270 -8.220 -18.619 1.00 31.34 C ATOM 1130 CE2 TYR A 71 -22.317 -8.815 -16.506 1.00 31.24 C ATOM 1131 CZ TYR A 71 -23.008 -7.922 -17.298 1.00 22.32 C ATOM 1132 OH TYR A 71 -23.440 -6.728 -16.766 1.00 61.54 O ATOM 0 H TYR A 71 -20.371 -13.528 -19.966 1.00 44.32 H new ATOM 0 HA TYR A 71 -21.366 -11.022 -20.988 1.00 62.44 H new ATOM 0 HB2 TYR A 71 -22.531 -12.256 -19.213 1.00 2.51 H new ATOM 0 HB3 TYR A 71 -21.108 -12.196 -18.192 1.00 2.51 H new ATOM 0 HD1 TYR A 71 -23.044 -9.651 -20.181 1.00 21.23 H new ATOM 0 HD2 TYR A 71 -21.346 -10.710 -16.420 1.00 64.25 H new ATOM 0 HE1 TYR A 71 -23.811 -7.519 -19.237 1.00 31.34 H new ATOM 0 HE2 TYR A 71 -22.114 -8.579 -15.472 1.00 31.24 H new ATOM 0 HH TYR A 71 -23.175 -6.675 -15.824 1.00 61.54 H new ATOM 1142 N ALA A 72 -18.700 -11.062 -19.025 1.00 31.32 N ATOM 1143 CA ALA A 72 -17.521 -10.296 -18.639 1.00 11.13 C ATOM 1144 C ALA A 72 -16.677 -9.935 -19.856 1.00 33.44 C ATOM 1145 O ALA A 72 -16.369 -8.765 -20.085 1.00 61.31 O ATOM 1146 CB ALA A 72 -16.690 -11.079 -17.631 1.00 54.55 C ATOM 0 H ALA A 72 -18.766 -11.982 -18.590 1.00 31.32 H new ATOM 0 HA ALA A 72 -17.857 -9.368 -18.175 1.00 11.13 H new ATOM 0 HB1 ALA A 72 -15.813 -10.496 -17.351 1.00 54.55 H new ATOM 0 HB2 ALA A 72 -17.290 -11.281 -16.743 1.00 54.55 H new ATOM 0 HB3 ALA A 72 -16.372 -12.022 -18.076 1.00 54.55 H new ATOM 1152 N VAL A 73 -16.307 -10.947 -20.635 1.00 21.25 N ATOM 1153 CA VAL A 73 -15.499 -10.736 -21.830 1.00 43.40 C ATOM 1154 C VAL A 73 -16.120 -9.677 -22.733 1.00 42.50 C ATOM 1155 O VAL A 73 -15.414 -8.955 -23.437 1.00 72.32 O ATOM 1156 CB VAL A 73 -15.328 -12.040 -22.629 1.00 22.51 C ATOM 1157 CG1 VAL A 73 -14.510 -11.793 -23.888 1.00 3.54 C ATOM 1158 CG2 VAL A 73 -14.681 -13.114 -21.766 1.00 74.14 C ATOM 0 H VAL A 73 -16.554 -11.921 -20.460 1.00 21.25 H new ATOM 0 HA VAL A 73 -14.520 -10.394 -21.494 1.00 43.40 H new ATOM 0 HB VAL A 73 -16.315 -12.392 -22.929 1.00 22.51 H new ATOM 0 HG11 VAL A 73 -14.400 -12.727 -24.439 1.00 3.54 H new ATOM 0 HG12 VAL A 73 -15.018 -11.060 -24.514 1.00 3.54 H new ATOM 0 HG13 VAL A 73 -13.525 -11.415 -23.614 1.00 3.54 H new ATOM 0 HG21 VAL A 73 -14.568 -14.029 -22.348 1.00 74.14 H new ATOM 0 HG22 VAL A 73 -13.701 -12.772 -21.433 1.00 74.14 H new ATOM 0 HG23 VAL A 73 -15.310 -13.311 -20.898 1.00 74.14 H new ATOM 1168 N ALA A 74 -17.446 -9.589 -22.707 1.00 15.11 N ATOM 1169 CA ALA A 74 -18.163 -8.615 -23.522 1.00 34.41 C ATOM 1170 C ALA A 74 -17.684 -7.197 -23.232 1.00 71.21 C ATOM 1171 O ALA A 74 -17.792 -6.310 -24.078 1.00 42.43 O ATOM 1172 CB ALA A 74 -19.661 -8.729 -23.282 1.00 52.44 C ATOM 0 H ALA A 74 -18.045 -10.180 -22.131 1.00 15.11 H new ATOM 0 HA ALA A 74 -17.956 -8.832 -24.570 1.00 34.41 H new ATOM 0 HB1 ALA A 74 -20.185 -7.997 -23.896 1.00 52.44 H new ATOM 0 HB2 ALA A 74 -19.997 -9.732 -23.547 1.00 52.44 H new ATOM 0 HB3 ALA A 74 -19.876 -8.541 -22.230 1.00 52.44 H new ATOM 1178 N HIS A 75 -17.156 -6.990 -22.029 1.00 21.40 N ATOM 1179 CA HIS A 75 -16.660 -5.678 -21.627 1.00 61.53 C ATOM 1180 C HIS A 75 -15.223 -5.771 -21.127 1.00 1.51 C ATOM 1181 O HIS A 75 -14.767 -4.926 -20.355 1.00 25.13 O ATOM 1182 CB HIS A 75 -17.554 -5.083 -20.540 1.00 13.10 C ATOM 1183 CG HIS A 75 -18.897 -4.645 -21.041 1.00 21.14 C ATOM 1184 ND1 HIS A 75 -19.222 -3.324 -21.264 1.00 14.45 N ATOM 1185 CD2 HIS A 75 -19.998 -5.362 -21.365 1.00 32.24 C ATOM 1186 CE1 HIS A 75 -20.466 -3.246 -21.700 1.00 33.24 C ATOM 1187 NE2 HIS A 75 -20.959 -4.471 -21.771 1.00 53.53 N ATOM 0 H HIS A 75 -17.061 -7.713 -21.316 1.00 21.40 H new ATOM 0 HA HIS A 75 -16.680 -5.026 -22.500 1.00 61.53 H new ATOM 0 HB2 HIS A 75 -17.693 -5.822 -19.751 1.00 13.10 H new ATOM 0 HB3 HIS A 75 -17.047 -4.229 -20.091 1.00 13.10 H new ATOM 0 HD2 HIS A 75 -20.101 -6.436 -21.314 1.00 32.24 H new ATOM 0 HE1 HIS A 75 -20.991 -2.337 -21.955 1.00 33.24 H new ATOM 0 HE2 HIS A 75 -21.901 -4.714 -22.078 1.00 53.53 H new ATOM 1195 N LYS A 76 -14.512 -6.803 -21.569 1.00 51.33 N ATOM 1196 CA LYS A 76 -13.125 -7.007 -21.167 1.00 0.42 C ATOM 1197 C LYS A 76 -12.989 -6.969 -19.649 1.00 0.44 C ATOM 1198 O LYS A 76 -12.015 -6.434 -19.117 1.00 43.13 O ATOM 1199 CB LYS A 76 -12.228 -5.939 -21.798 1.00 5.23 C ATOM 1200 CG LYS A 76 -11.889 -6.212 -23.253 1.00 2.22 C ATOM 1201 CD LYS A 76 -13.091 -5.990 -24.156 1.00 21.34 C ATOM 1202 CE LYS A 76 -12.707 -6.074 -25.625 1.00 54.31 C ATOM 1203 NZ LYS A 76 -12.080 -7.382 -25.961 1.00 4.41 N ATOM 0 H LYS A 76 -14.874 -7.512 -22.207 1.00 51.33 H new ATOM 0 HA LYS A 76 -12.811 -7.990 -21.518 1.00 0.42 H new ATOM 0 HB2 LYS A 76 -12.723 -4.971 -21.725 1.00 5.23 H new ATOM 0 HB3 LYS A 76 -11.303 -5.868 -21.225 1.00 5.23 H new ATOM 0 HG2 LYS A 76 -11.073 -5.561 -23.566 1.00 2.22 H new ATOM 0 HG3 LYS A 76 -11.537 -7.238 -23.359 1.00 2.22 H new ATOM 0 HD2 LYS A 76 -13.856 -6.735 -23.935 1.00 21.34 H new ATOM 0 HD3 LYS A 76 -13.528 -5.013 -23.948 1.00 21.34 H new ATOM 0 HE2 LYS A 76 -13.594 -5.928 -26.241 1.00 54.31 H new ATOM 0 HE3 LYS A 76 -12.015 -5.267 -25.866 1.00 54.31 H new ATOM 0 HZ1 LYS A 76 -11.941 -7.446 -26.990 1.00 4.41 H new ATOM 0 HZ2 LYS A 76 -11.160 -7.459 -25.482 1.00 4.41 H new ATOM 0 HZ3 LYS A 76 -12.700 -8.155 -25.646 1.00 4.41 H new ATOM 1217 N ILE A 77 -13.968 -7.541 -18.956 1.00 41.33 N ATOM 1218 CA ILE A 77 -13.954 -7.574 -17.499 1.00 71.31 C ATOM 1219 C ILE A 77 -13.225 -8.811 -16.984 1.00 51.11 C ATOM 1220 O ILE A 77 -13.364 -9.902 -17.538 1.00 15.21 O ATOM 1221 CB ILE A 77 -15.382 -7.557 -16.923 1.00 15.42 C ATOM 1222 CG1 ILE A 77 -16.127 -6.303 -17.385 1.00 10.41 C ATOM 1223 CG2 ILE A 77 -15.340 -7.623 -15.403 1.00 35.50 C ATOM 1224 CD1 ILE A 77 -17.627 -6.394 -17.214 1.00 10.13 C ATOM 0 H ILE A 77 -14.781 -7.988 -19.380 1.00 41.33 H new ATOM 0 HA ILE A 77 -13.426 -6.680 -17.168 1.00 71.31 H new ATOM 0 HB ILE A 77 -15.917 -8.432 -17.292 1.00 15.42 H new ATOM 0 HG12 ILE A 77 -15.757 -5.444 -16.826 1.00 10.41 H new ATOM 0 HG13 ILE A 77 -15.900 -6.121 -18.435 1.00 10.41 H new ATOM 0 HG21 ILE A 77 -16.357 -7.610 -15.010 1.00 35.50 H new ATOM 0 HG22 ILE A 77 -14.842 -8.542 -15.092 1.00 35.50 H new ATOM 0 HG23 ILE A 77 -14.791 -6.764 -15.017 1.00 35.50 H new ATOM 0 HD11 ILE A 77 -18.090 -5.470 -17.562 1.00 10.13 H new ATOM 0 HD12 ILE A 77 -18.009 -7.233 -17.796 1.00 10.13 H new ATOM 0 HD13 ILE A 77 -17.865 -6.545 -16.161 1.00 10.13 H new ATOM 1236 N ASP A 78 -12.449 -8.634 -15.922 1.00 15.34 N ATOM 1237 CA ASP A 78 -11.700 -9.735 -15.330 1.00 11.15 C ATOM 1238 C ASP A 78 -12.635 -10.707 -14.616 1.00 73.42 C ATOM 1239 O ASP A 78 -13.132 -10.421 -13.527 1.00 4.45 O ATOM 1240 CB ASP A 78 -10.656 -9.201 -14.348 1.00 4.40 C ATOM 1241 CG ASP A 78 -9.902 -8.006 -14.898 1.00 2.44 C ATOM 1242 OD1 ASP A 78 -8.887 -8.215 -15.595 1.00 14.30 O ATOM 1243 OD2 ASP A 78 -10.327 -6.863 -14.631 1.00 2.40 O ATOM 0 H ASP A 78 -12.322 -7.737 -15.453 1.00 15.34 H new ATOM 0 HA ASP A 78 -11.193 -10.269 -16.134 1.00 11.15 H new ATOM 0 HB2 ASP A 78 -11.148 -8.920 -13.417 1.00 4.40 H new ATOM 0 HB3 ASP A 78 -9.948 -9.994 -14.108 1.00 4.40 H new ATOM 1248 N TYR A 79 -12.872 -11.856 -15.239 1.00 24.22 N ATOM 1249 CA TYR A 79 -13.750 -12.869 -14.667 1.00 11.14 C ATOM 1250 C TYR A 79 -12.942 -13.974 -13.993 1.00 31.12 C ATOM 1251 O TYR A 79 -11.975 -14.487 -14.559 1.00 14.24 O ATOM 1252 CB TYR A 79 -14.648 -13.468 -15.751 1.00 12.23 C ATOM 1253 CG TYR A 79 -13.882 -14.124 -16.876 1.00 71.20 C ATOM 1254 CD1 TYR A 79 -13.520 -15.464 -16.808 1.00 35.41 C ATOM 1255 CD2 TYR A 79 -13.520 -13.405 -18.009 1.00 22.42 C ATOM 1256 CE1 TYR A 79 -12.821 -16.069 -17.833 1.00 63.23 C ATOM 1257 CE2 TYR A 79 -12.821 -14.002 -19.040 1.00 22.41 C ATOM 1258 CZ TYR A 79 -12.474 -15.333 -18.948 1.00 62.32 C ATOM 1259 OH TYR A 79 -11.776 -15.931 -19.973 1.00 45.51 O ATOM 0 H TYR A 79 -12.468 -12.109 -16.141 1.00 24.22 H new ATOM 0 HA TYR A 79 -14.373 -12.388 -13.913 1.00 11.14 H new ATOM 0 HB2 TYR A 79 -15.311 -14.204 -15.296 1.00 12.23 H new ATOM 0 HB3 TYR A 79 -15.280 -12.681 -16.163 1.00 12.23 H new ATOM 0 HD1 TYR A 79 -13.791 -16.043 -15.937 1.00 35.41 H new ATOM 0 HD2 TYR A 79 -13.790 -12.362 -18.085 1.00 22.42 H new ATOM 0 HE1 TYR A 79 -12.547 -17.111 -17.763 1.00 63.23 H new ATOM 0 HE2 TYR A 79 -12.548 -13.429 -19.914 1.00 22.41 H new ATOM 0 HH TYR A 79 -11.612 -15.276 -20.683 1.00 45.51 H new ATOM 1269 N THR A 80 -13.345 -14.337 -12.779 1.00 24.35 N ATOM 1270 CA THR A 80 -12.659 -15.380 -12.026 1.00 63.32 C ATOM 1271 C THR A 80 -13.544 -16.611 -11.862 1.00 44.32 C ATOM 1272 O THR A 80 -14.669 -16.519 -11.371 1.00 2.44 O ATOM 1273 CB THR A 80 -12.232 -14.880 -10.634 1.00 44.25 C ATOM 1274 OG1 THR A 80 -11.643 -15.950 -9.888 1.00 24.11 O ATOM 1275 CG2 THR A 80 -13.422 -14.318 -9.872 1.00 33.34 C ATOM 0 H THR A 80 -14.143 -13.924 -12.296 1.00 24.35 H new ATOM 0 HA THR A 80 -11.769 -15.648 -12.596 1.00 63.32 H new ATOM 0 HB THR A 80 -11.499 -14.085 -10.768 1.00 44.25 H new ATOM 0 HG1 THR A 80 -11.373 -15.623 -9.005 1.00 24.11 H new ATOM 0 HG21 THR A 80 -13.095 -13.971 -8.892 1.00 33.34 H new ATOM 0 HG22 THR A 80 -13.849 -13.484 -10.428 1.00 33.34 H new ATOM 0 HG23 THR A 80 -14.176 -15.096 -9.749 1.00 33.34 H new ATOM 1283 N VAL A 81 -13.027 -17.765 -12.276 1.00 15.24 N ATOM 1284 CA VAL A 81 -13.770 -19.015 -12.172 1.00 5.34 C ATOM 1285 C VAL A 81 -13.354 -19.800 -10.933 1.00 22.22 C ATOM 1286 O VAL A 81 -12.178 -20.122 -10.755 1.00 30.32 O ATOM 1287 CB VAL A 81 -13.563 -19.896 -13.419 1.00 2.25 C ATOM 1288 CG1 VAL A 81 -14.213 -19.258 -14.636 1.00 72.24 C ATOM 1289 CG2 VAL A 81 -12.080 -20.136 -13.661 1.00 13.22 C ATOM 0 H VAL A 81 -12.098 -17.859 -12.686 1.00 15.24 H new ATOM 0 HA VAL A 81 -14.825 -18.751 -12.094 1.00 5.34 H new ATOM 0 HB VAL A 81 -14.040 -20.860 -13.245 1.00 2.25 H new ATOM 0 HG11 VAL A 81 -14.057 -19.894 -15.507 1.00 72.24 H new ATOM 0 HG12 VAL A 81 -15.282 -19.142 -14.459 1.00 72.24 H new ATOM 0 HG13 VAL A 81 -13.767 -18.280 -14.816 1.00 72.24 H new ATOM 0 HG21 VAL A 81 -11.952 -20.760 -14.545 1.00 13.22 H new ATOM 0 HG22 VAL A 81 -11.577 -19.181 -13.815 1.00 13.22 H new ATOM 0 HG23 VAL A 81 -11.647 -20.639 -12.796 1.00 13.22 H new ATOM 1299 N LEU A 82 -14.324 -20.107 -10.080 1.00 20.41 N ATOM 1300 CA LEU A 82 -14.060 -20.857 -8.857 1.00 1.30 C ATOM 1301 C LEU A 82 -14.637 -22.266 -8.946 1.00 4.34 C ATOM 1302 O LEU A 82 -15.852 -22.446 -9.011 1.00 14.12 O ATOM 1303 CB LEU A 82 -14.651 -20.126 -7.650 1.00 32.11 C ATOM 1304 CG LEU A 82 -14.514 -20.836 -6.302 1.00 63.14 C ATOM 1305 CD1 LEU A 82 -13.059 -20.866 -5.861 1.00 21.32 C ATOM 1306 CD2 LEU A 82 -15.379 -20.156 -5.250 1.00 43.15 C ATOM 0 H LEU A 82 -15.302 -19.848 -10.213 1.00 20.41 H new ATOM 0 HA LEU A 82 -12.980 -20.935 -8.734 1.00 1.30 H new ATOM 0 HB2 LEU A 82 -14.175 -19.149 -7.573 1.00 32.11 H new ATOM 0 HB3 LEU A 82 -15.710 -19.950 -7.840 1.00 32.11 H new ATOM 0 HG LEU A 82 -14.859 -21.864 -6.417 1.00 63.14 H new ATOM 0 HD11 LEU A 82 -12.980 -21.375 -4.900 1.00 21.32 H new ATOM 0 HD12 LEU A 82 -12.465 -21.399 -6.603 1.00 21.32 H new ATOM 0 HD13 LEU A 82 -12.687 -19.846 -5.763 1.00 21.32 H new ATOM 0 HD21 LEU A 82 -15.269 -20.675 -4.298 1.00 43.15 H new ATOM 0 HD22 LEU A 82 -15.065 -19.118 -5.136 1.00 43.15 H new ATOM 0 HD23 LEU A 82 -16.423 -20.187 -5.562 1.00 43.15 H new ATOM 1318 N GLN A 83 -13.755 -23.261 -8.947 1.00 11.11 N ATOM 1319 CA GLN A 83 -14.178 -24.655 -9.026 1.00 45.23 C ATOM 1320 C GLN A 83 -13.593 -25.466 -7.876 1.00 35.21 C ATOM 1321 O GLN A 83 -12.458 -25.241 -7.456 1.00 64.33 O ATOM 1322 CB GLN A 83 -13.751 -25.263 -10.363 1.00 43.13 C ATOM 1323 CG GLN A 83 -14.033 -24.366 -11.558 1.00 13.02 C ATOM 1324 CD GLN A 83 -13.648 -25.010 -12.875 1.00 44.54 C ATOM 1325 OE1 GLN A 83 -14.211 -26.032 -13.269 1.00 23.02 O ATOM 1326 NE2 GLN A 83 -12.683 -24.414 -13.566 1.00 52.33 N ATOM 0 H GLN A 83 -12.745 -23.128 -8.894 1.00 11.11 H new ATOM 0 HA GLN A 83 -15.265 -24.684 -8.951 1.00 45.23 H new ATOM 0 HB2 GLN A 83 -12.684 -25.483 -10.328 1.00 43.13 H new ATOM 0 HB3 GLN A 83 -14.268 -26.213 -10.502 1.00 43.13 H new ATOM 0 HG2 GLN A 83 -15.094 -24.115 -11.577 1.00 13.02 H new ATOM 0 HG3 GLN A 83 -13.486 -23.430 -11.442 1.00 13.02 H new ATOM 0 HE21 GLN A 83 -12.243 -23.568 -13.203 1.00 52.33 H new ATOM 0 HE22 GLN A 83 -12.382 -24.802 -14.460 1.00 52.33 H new ATOM 1335 N ASP A 84 -14.378 -26.412 -7.367 1.00 65.34 N ATOM 1336 CA ASP A 84 -13.938 -27.259 -6.265 1.00 10.12 C ATOM 1337 C ASP A 84 -12.587 -27.896 -6.574 1.00 60.01 C ATOM 1338 O ASP A 84 -12.102 -27.829 -7.702 1.00 62.35 O ATOM 1339 CB ASP A 84 -14.976 -28.345 -5.984 1.00 35.31 C ATOM 1340 CG ASP A 84 -14.984 -29.427 -7.046 1.00 22.22 C ATOM 1341 OD1 ASP A 84 -15.089 -29.084 -8.242 1.00 23.31 O ATOM 1342 OD2 ASP A 84 -14.885 -30.617 -6.680 1.00 24.41 O ATOM 0 H ASP A 84 -15.321 -26.610 -7.701 1.00 65.34 H new ATOM 0 HA ASP A 84 -13.829 -26.633 -5.379 1.00 10.12 H new ATOM 0 HB2 ASP A 84 -14.773 -28.795 -5.012 1.00 35.31 H new ATOM 0 HB3 ASP A 84 -15.965 -27.891 -5.924 1.00 35.31 H new ATOM 1347 N ASN A 85 -11.984 -28.513 -5.563 1.00 2.15 N ATOM 1348 CA ASN A 85 -10.688 -29.161 -5.727 1.00 42.10 C ATOM 1349 C ASN A 85 -10.735 -30.196 -6.846 1.00 63.43 C ATOM 1350 O ASN A 85 -11.799 -30.665 -7.248 1.00 55.02 O ATOM 1351 CB ASN A 85 -10.259 -29.828 -4.418 1.00 31.23 C ATOM 1352 CG ASN A 85 -9.492 -28.884 -3.513 1.00 13.42 C ATOM 1353 OD1 ASN A 85 -9.888 -27.735 -3.317 1.00 42.45 O ATOM 1354 ND2 ASN A 85 -8.387 -29.366 -2.955 1.00 33.44 N ATOM 0 H ASN A 85 -12.372 -28.578 -4.622 1.00 2.15 H new ATOM 0 HA ASN A 85 -9.959 -28.396 -5.994 1.00 42.10 H new ATOM 0 HB2 ASN A 85 -11.142 -30.193 -3.893 1.00 31.23 H new ATOM 0 HB3 ASN A 85 -9.639 -30.696 -4.642 1.00 31.23 H new ATOM 0 HD21 ASN A 85 -7.830 -28.777 -2.336 1.00 33.44 H new ATOM 0 HD22 ASN A 85 -8.096 -30.325 -3.145 1.00 33.44 H new ATOM 1361 N PRO A 86 -9.552 -30.563 -7.363 1.00 51.51 N ATOM 1362 CA PRO A 86 -9.431 -31.547 -8.443 1.00 31.33 C ATOM 1363 C PRO A 86 -9.778 -32.959 -7.982 1.00 41.00 C ATOM 1364 O PRO A 86 -9.447 -33.356 -6.864 1.00 51.34 O ATOM 1365 CB PRO A 86 -7.955 -31.461 -8.837 1.00 63.23 C ATOM 1366 CG PRO A 86 -7.265 -30.961 -7.615 1.00 4.41 C ATOM 1367 CD PRO A 86 -8.242 -30.045 -6.933 1.00 74.23 C ATOM 0 HA PRO A 86 -10.118 -31.339 -9.263 1.00 31.33 H new ATOM 0 HB2 PRO A 86 -7.569 -32.434 -9.139 1.00 63.23 H new ATOM 0 HB3 PRO A 86 -7.809 -30.784 -9.679 1.00 63.23 H new ATOM 0 HG2 PRO A 86 -6.982 -31.786 -6.961 1.00 4.41 H new ATOM 0 HG3 PRO A 86 -6.348 -30.431 -7.874 1.00 4.41 H new ATOM 0 HD2 PRO A 86 -8.133 -30.077 -5.849 1.00 74.23 H new ATOM 0 HD3 PRO A 86 -8.100 -29.008 -7.237 1.00 74.23 H new ATOM 1375 N ARG A 87 -10.447 -33.712 -8.849 1.00 4.40 N ATOM 1376 CA ARG A 87 -10.839 -35.079 -8.530 1.00 32.04 C ATOM 1377 C ARG A 87 -9.685 -36.048 -8.775 1.00 11.53 C ATOM 1378 O ARG A 87 -8.847 -35.824 -9.650 1.00 20.42 O ATOM 1379 CB ARG A 87 -12.051 -35.493 -9.366 1.00 31.15 C ATOM 1380 CG ARG A 87 -13.382 -35.101 -8.745 1.00 53.33 C ATOM 1381 CD ARG A 87 -13.768 -36.042 -7.614 1.00 41.34 C ATOM 1382 NE ARG A 87 -14.340 -37.290 -8.112 1.00 5.44 N ATOM 1383 CZ ARG A 87 -14.944 -38.182 -7.336 1.00 33.13 C ATOM 1384 NH1 ARG A 87 -15.056 -37.965 -6.033 1.00 30.32 N ATOM 1385 NH2 ARG A 87 -15.439 -39.295 -7.862 1.00 61.45 N ATOM 0 H ARG A 87 -10.729 -33.398 -9.778 1.00 4.40 H new ATOM 0 HA ARG A 87 -11.104 -35.116 -7.473 1.00 32.04 H new ATOM 0 HB2 ARG A 87 -11.973 -35.039 -10.354 1.00 31.15 H new ATOM 0 HB3 ARG A 87 -12.031 -36.573 -9.510 1.00 31.15 H new ATOM 0 HG2 ARG A 87 -13.322 -34.081 -8.366 1.00 53.33 H new ATOM 0 HG3 ARG A 87 -14.159 -35.112 -9.510 1.00 53.33 H new ATOM 0 HD2 ARG A 87 -12.888 -36.262 -7.009 1.00 41.34 H new ATOM 0 HD3 ARG A 87 -14.488 -35.548 -6.961 1.00 41.34 H new ATOM 0 HE ARG A 87 -14.272 -37.487 -9.110 1.00 5.44 H new ATOM 0 HH11 ARG A 87 -14.678 -37.111 -5.624 1.00 30.32 H new ATOM 0 HH12 ARG A 87 -15.521 -38.652 -5.440 1.00 30.32 H new ATOM 0 HH21 ARG A 87 -15.356 -39.466 -8.864 1.00 61.45 H new ATOM 0 HH22 ARG A 87 -15.903 -39.979 -7.264 1.00 61.45 H new ATOM 1399 N THR A 88 -9.646 -37.124 -7.995 1.00 42.52 N ATOM 1400 CA THR A 88 -8.594 -38.124 -8.125 1.00 14.11 C ATOM 1401 C THR A 88 -8.804 -38.983 -9.367 1.00 45.34 C ATOM 1402 O THR A 88 -9.688 -39.838 -9.400 1.00 34.12 O ATOM 1403 CB THR A 88 -8.533 -39.039 -6.887 1.00 61.44 C ATOM 1404 OG1 THR A 88 -9.840 -39.538 -6.582 1.00 52.20 O ATOM 1405 CG2 THR A 88 -7.978 -38.288 -5.686 1.00 32.30 C ATOM 0 H THR A 88 -10.331 -37.325 -7.267 1.00 42.52 H new ATOM 0 HA THR A 88 -7.652 -37.583 -8.215 1.00 14.11 H new ATOM 0 HB THR A 88 -7.869 -39.874 -7.112 1.00 61.44 H new ATOM 0 HG1 THR A 88 -10.318 -39.735 -7.415 1.00 52.20 H new ATOM 0 HG21 THR A 88 -7.944 -38.954 -4.824 1.00 32.30 H new ATOM 0 HG22 THR A 88 -6.972 -37.935 -5.911 1.00 32.30 H new ATOM 0 HG23 THR A 88 -8.620 -37.436 -5.461 1.00 32.30 H new ATOM 1413 N ILE A 89 -7.983 -38.749 -10.386 1.00 41.24 N ATOM 1414 CA ILE A 89 -8.078 -39.503 -11.631 1.00 13.43 C ATOM 1415 C ILE A 89 -7.445 -40.882 -11.486 1.00 31.54 C ATOM 1416 O ILE A 89 -6.799 -41.180 -10.481 1.00 32.11 O ATOM 1417 CB ILE A 89 -7.397 -38.758 -12.793 1.00 53.33 C ATOM 1418 CG1 ILE A 89 -5.936 -38.460 -12.452 1.00 35.41 C ATOM 1419 CG2 ILE A 89 -8.146 -37.471 -13.108 1.00 32.22 C ATOM 1420 CD1 ILE A 89 -5.147 -37.897 -13.613 1.00 43.20 C ATOM 0 H ILE A 89 -7.246 -38.044 -10.374 1.00 41.24 H new ATOM 0 HA ILE A 89 -9.139 -39.614 -11.854 1.00 13.43 H new ATOM 0 HB ILE A 89 -7.421 -39.396 -13.677 1.00 53.33 H new ATOM 0 HG12 ILE A 89 -5.902 -37.753 -11.623 1.00 35.41 H new ATOM 0 HG13 ILE A 89 -5.457 -39.377 -12.109 1.00 35.41 H new ATOM 0 HG21 ILE A 89 -7.653 -36.955 -13.932 1.00 32.22 H new ATOM 0 HG22 ILE A 89 -9.172 -37.707 -13.390 1.00 32.22 H new ATOM 0 HG23 ILE A 89 -8.150 -36.828 -12.228 1.00 32.22 H new ATOM 0 HD11 ILE A 89 -4.120 -37.710 -13.298 1.00 43.20 H new ATOM 0 HD12 ILE A 89 -5.150 -38.612 -14.436 1.00 43.20 H new ATOM 0 HD13 ILE A 89 -5.601 -36.963 -13.943 1.00 43.20 H new ATOM 1432 N VAL A 90 -7.634 -41.724 -12.498 1.00 50.54 N ATOM 1433 CA VAL A 90 -7.080 -43.072 -12.486 1.00 63.11 C ATOM 1434 C VAL A 90 -6.768 -43.551 -13.900 1.00 74.32 C ATOM 1435 O VAL A 90 -7.423 -44.444 -14.438 1.00 20.14 O ATOM 1436 CB VAL A 90 -8.044 -44.070 -11.819 1.00 74.25 C ATOM 1437 CG1 VAL A 90 -8.066 -43.865 -10.312 1.00 60.21 C ATOM 1438 CG2 VAL A 90 -9.442 -43.932 -12.404 1.00 50.42 C ATOM 0 H VAL A 90 -8.167 -41.495 -13.337 1.00 50.54 H new ATOM 0 HA VAL A 90 -6.157 -43.029 -11.908 1.00 63.11 H new ATOM 0 HB VAL A 90 -7.689 -45.081 -12.019 1.00 74.25 H new ATOM 0 HG11 VAL A 90 -8.753 -44.579 -9.858 1.00 60.21 H new ATOM 0 HG12 VAL A 90 -7.065 -44.018 -9.909 1.00 60.21 H new ATOM 0 HG13 VAL A 90 -8.396 -42.851 -10.088 1.00 60.21 H new ATOM 0 HG21 VAL A 90 -10.110 -44.645 -11.921 1.00 50.42 H new ATOM 0 HG22 VAL A 90 -9.809 -42.919 -12.236 1.00 50.42 H new ATOM 0 HG23 VAL A 90 -9.410 -44.133 -13.475 1.00 50.42 H new ATOM 1448 N PRO A 91 -5.745 -42.943 -14.519 1.00 33.13 N ATOM 1449 CA PRO A 91 -5.323 -43.292 -15.879 1.00 53.53 C ATOM 1450 C PRO A 91 -4.674 -44.670 -15.949 1.00 35.44 C ATOM 1451 O PRO A 91 -4.349 -45.268 -14.923 1.00 15.43 O ATOM 1452 CB PRO A 91 -4.303 -42.203 -16.223 1.00 70.51 C ATOM 1453 CG PRO A 91 -3.777 -41.746 -14.906 1.00 72.42 C ATOM 1454 CD PRO A 91 -4.921 -41.869 -13.938 1.00 71.11 C ATOM 0 HA PRO A 91 -6.166 -43.340 -16.568 1.00 53.53 H new ATOM 0 HB2 PRO A 91 -3.505 -42.594 -16.854 1.00 70.51 H new ATOM 0 HB3 PRO A 91 -4.769 -41.383 -16.769 1.00 70.51 H new ATOM 0 HG2 PRO A 91 -2.931 -42.357 -14.590 1.00 72.42 H new ATOM 0 HG3 PRO A 91 -3.423 -40.717 -14.963 1.00 72.42 H new ATOM 0 HD2 PRO A 91 -4.575 -42.125 -12.937 1.00 71.11 H new ATOM 0 HD3 PRO A 91 -5.478 -40.936 -13.854 1.00 71.11 H new ATOM 1462 N LYS A 92 -4.490 -45.171 -17.165 1.00 45.55 N ATOM 1463 CA LYS A 92 -3.878 -46.479 -17.371 1.00 51.25 C ATOM 1464 C LYS A 92 -2.698 -46.382 -18.331 1.00 24.41 C ATOM 1465 O LYS A 92 -2.752 -45.663 -19.328 1.00 15.01 O ATOM 1466 CB LYS A 92 -4.912 -47.467 -17.914 1.00 72.34 C ATOM 1467 CG LYS A 92 -4.353 -48.858 -18.159 1.00 4.12 C ATOM 1468 CD LYS A 92 -5.445 -49.914 -18.116 1.00 34.41 C ATOM 1469 CE LYS A 92 -4.881 -51.309 -18.336 1.00 21.35 C ATOM 1470 NZ LYS A 92 -5.913 -52.363 -18.137 1.00 14.21 N ATOM 0 H LYS A 92 -4.756 -44.691 -18.025 1.00 45.55 H new ATOM 0 HA LYS A 92 -3.512 -46.838 -16.409 1.00 51.25 H new ATOM 0 HB2 LYS A 92 -5.741 -47.536 -17.210 1.00 72.34 H new ATOM 0 HB3 LYS A 92 -5.319 -47.078 -18.848 1.00 72.34 H new ATOM 0 HG2 LYS A 92 -3.857 -48.886 -19.129 1.00 4.12 H new ATOM 0 HG3 LYS A 92 -3.597 -49.085 -17.407 1.00 4.12 H new ATOM 0 HD2 LYS A 92 -5.954 -49.874 -17.153 1.00 34.41 H new ATOM 0 HD3 LYS A 92 -6.192 -49.698 -18.880 1.00 34.41 H new ATOM 0 HE2 LYS A 92 -4.477 -51.382 -19.346 1.00 21.35 H new ATOM 0 HE3 LYS A 92 -4.052 -51.478 -17.648 1.00 21.35 H new ATOM 0 HZ1 LYS A 92 -5.488 -53.299 -18.296 1.00 14.21 H new ATOM 0 HZ2 LYS A 92 -6.280 -52.310 -17.165 1.00 14.21 H new ATOM 0 HZ3 LYS A 92 -6.692 -52.217 -18.810 1.00 14.21 H new ATOM 1484 N SER A 93 -1.630 -47.113 -18.025 1.00 23.52 N ATOM 1485 CA SER A 93 -0.435 -47.108 -18.860 1.00 31.13 C ATOM 1486 C SER A 93 -0.529 -48.171 -19.950 1.00 62.45 C ATOM 1487 O SER A 93 -1.191 -49.195 -19.779 1.00 13.42 O ATOM 1488 CB SER A 93 0.811 -47.349 -18.005 1.00 10.24 C ATOM 1489 OG SER A 93 0.968 -46.327 -17.035 1.00 44.32 O ATOM 0 H SER A 93 -1.569 -47.716 -17.205 1.00 23.52 H new ATOM 0 HA SER A 93 -0.359 -46.130 -19.335 1.00 31.13 H new ATOM 0 HB2 SER A 93 0.735 -48.317 -17.509 1.00 10.24 H new ATOM 0 HB3 SER A 93 1.693 -47.387 -18.644 1.00 10.24 H new ATOM 0 HG SER A 93 1.770 -46.504 -16.500 1.00 44.32 H new ATOM 1495 N TYR A 94 0.137 -47.920 -21.071 1.00 23.41 N ATOM 1496 CA TYR A 94 0.127 -48.853 -22.191 1.00 50.14 C ATOM 1497 C TYR A 94 1.232 -48.517 -23.190 1.00 32.43 C ATOM 1498 O TYR A 94 1.282 -47.413 -23.729 1.00 32.14 O ATOM 1499 CB TYR A 94 -1.233 -48.827 -22.892 1.00 32.34 C ATOM 1500 CG TYR A 94 -1.611 -47.466 -23.431 1.00 22.35 C ATOM 1501 CD1 TYR A 94 -2.116 -46.480 -22.592 1.00 32.55 C ATOM 1502 CD2 TYR A 94 -1.464 -47.166 -24.780 1.00 25.24 C ATOM 1503 CE1 TYR A 94 -2.463 -45.237 -23.080 1.00 51.14 C ATOM 1504 CE2 TYR A 94 -1.807 -45.925 -25.277 1.00 14.31 C ATOM 1505 CZ TYR A 94 -2.306 -44.963 -24.423 1.00 55.21 C ATOM 1506 OH TYR A 94 -2.651 -43.725 -24.915 1.00 54.32 O ATOM 0 H TYR A 94 0.691 -47.078 -21.228 1.00 23.41 H new ATOM 0 HA TYR A 94 0.308 -49.854 -21.799 1.00 50.14 H new ATOM 0 HB2 TYR A 94 -1.223 -49.544 -23.713 1.00 32.34 H new ATOM 0 HB3 TYR A 94 -2.000 -49.157 -22.191 1.00 32.34 H new ATOM 0 HD1 TYR A 94 -2.239 -46.690 -21.540 1.00 32.55 H new ATOM 0 HD2 TYR A 94 -1.075 -47.917 -25.451 1.00 25.24 H new ATOM 0 HE1 TYR A 94 -2.855 -44.483 -22.414 1.00 51.14 H new ATOM 0 HE2 TYR A 94 -1.686 -45.708 -26.328 1.00 14.31 H new ATOM 0 HH TYR A 94 -2.478 -43.696 -25.879 1.00 54.32 H new ATOM 1516 N ALA A 95 2.114 -49.481 -23.430 1.00 44.01 N ATOM 1517 CA ALA A 95 3.217 -49.291 -24.365 1.00 72.34 C ATOM 1518 C ALA A 95 2.780 -49.585 -25.796 1.00 70.10 C ATOM 1519 O ALA A 95 1.956 -50.468 -26.034 1.00 60.44 O ATOM 1520 CB ALA A 95 4.395 -50.173 -23.978 1.00 72.14 C ATOM 0 H ALA A 95 2.087 -50.401 -22.991 1.00 44.01 H new ATOM 0 HA ALA A 95 3.528 -48.247 -24.315 1.00 72.34 H new ATOM 0 HB1 ALA A 95 5.211 -50.021 -24.685 1.00 72.14 H new ATOM 0 HB2 ALA A 95 4.731 -49.912 -22.974 1.00 72.14 H new ATOM 0 HB3 ALA A 95 4.088 -51.219 -23.998 1.00 72.14 H new ATOM 1526 N ASP A 96 3.337 -48.841 -26.744 1.00 63.13 N ATOM 1527 CA ASP A 96 3.006 -49.023 -28.153 1.00 50.45 C ATOM 1528 C ASP A 96 4.217 -49.518 -28.938 1.00 1.31 C ATOM 1529 O ASP A 96 5.358 -49.353 -28.505 1.00 74.41 O ATOM 1530 CB ASP A 96 2.496 -47.710 -28.753 1.00 12.03 C ATOM 1531 CG ASP A 96 1.290 -47.166 -28.013 1.00 14.22 C ATOM 1532 OD1 ASP A 96 0.308 -47.920 -27.842 1.00 50.23 O ATOM 1533 OD2 ASP A 96 1.327 -45.988 -27.603 1.00 4.45 O ATOM 0 H ASP A 96 4.020 -48.106 -26.563 1.00 63.13 H new ATOM 0 HA ASP A 96 2.220 -49.775 -28.221 1.00 50.45 H new ATOM 0 HB2 ASP A 96 3.296 -46.970 -28.733 1.00 12.03 H new ATOM 0 HB3 ASP A 96 2.235 -47.869 -29.799 1.00 12.03 H new ATOM 1538 N ASN A 97 3.961 -50.124 -30.091 1.00 54.05 N ATOM 1539 CA ASN A 97 5.029 -50.645 -30.936 1.00 4.34 C ATOM 1540 C ASN A 97 5.865 -49.508 -31.518 1.00 73.34 C ATOM 1541 O ASN A 97 5.392 -48.745 -32.360 1.00 51.14 O ATOM 1542 CB ASN A 97 4.448 -51.496 -32.065 1.00 73.30 C ATOM 1543 CG ASN A 97 4.101 -52.901 -31.610 1.00 61.23 C ATOM 1544 OD1 ASN A 97 2.950 -53.329 -31.703 1.00 70.34 O ATOM 1545 ND2 ASN A 97 5.097 -53.625 -31.116 1.00 23.10 N ATOM 0 H ASN A 97 3.022 -50.267 -30.463 1.00 54.05 H new ATOM 0 HA ASN A 97 5.675 -51.269 -30.318 1.00 4.34 H new ATOM 0 HB2 ASN A 97 3.553 -51.013 -32.457 1.00 73.30 H new ATOM 0 HB3 ASN A 97 5.166 -51.549 -32.883 1.00 73.30 H new ATOM 0 HD21 ASN A 97 4.924 -54.577 -30.794 1.00 23.10 H new ATOM 0 HD22 ASN A 97 6.035 -53.229 -31.058 1.00 23.10 H new ATOM 1552 N PHE A 98 7.110 -49.403 -31.065 1.00 34.22 N ATOM 1553 CA PHE A 98 8.011 -48.360 -31.542 1.00 22.55 C ATOM 1554 C PHE A 98 8.189 -48.444 -33.055 1.00 32.55 C ATOM 1555 O PHE A 98 7.929 -49.482 -33.665 1.00 64.13 O ATOM 1556 CB PHE A 98 9.370 -48.478 -30.849 1.00 42.35 C ATOM 1557 CG PHE A 98 10.113 -49.736 -31.194 1.00 75.40 C ATOM 1558 CD1 PHE A 98 9.821 -50.927 -30.549 1.00 21.12 C ATOM 1559 CD2 PHE A 98 11.103 -49.729 -32.164 1.00 13.03 C ATOM 1560 CE1 PHE A 98 10.502 -52.088 -30.864 1.00 42.25 C ATOM 1561 CE2 PHE A 98 11.787 -50.887 -32.483 1.00 44.50 C ATOM 1562 CZ PHE A 98 11.487 -52.067 -31.832 1.00 31.01 C ATOM 0 H PHE A 98 7.518 -50.027 -30.369 1.00 34.22 H new ATOM 0 HA PHE A 98 7.569 -47.393 -31.300 1.00 22.55 H new ATOM 0 HB2 PHE A 98 9.983 -47.618 -31.120 1.00 42.35 H new ATOM 0 HB3 PHE A 98 9.223 -48.437 -29.770 1.00 42.35 H new ATOM 0 HD1 PHE A 98 9.052 -50.949 -29.791 1.00 21.12 H new ATOM 0 HD2 PHE A 98 11.343 -48.809 -32.676 1.00 13.03 H new ATOM 0 HE1 PHE A 98 10.264 -53.010 -30.354 1.00 42.25 H new ATOM 0 HE2 PHE A 98 12.556 -50.869 -33.241 1.00 44.50 H new ATOM 0 HZ PHE A 98 12.022 -52.972 -32.079 1.00 31.01 H new ATOM 1572 N THR A 99 8.634 -47.344 -33.654 1.00 31.23 N ATOM 1573 CA THR A 99 8.846 -47.292 -35.095 1.00 33.30 C ATOM 1574 C THR A 99 10.185 -46.648 -35.430 1.00 65.15 C ATOM 1575 O THR A 99 10.524 -45.585 -34.909 1.00 24.44 O ATOM 1576 CB THR A 99 7.722 -46.509 -35.800 1.00 75.31 C ATOM 1577 OG1 THR A 99 7.371 -45.354 -35.029 1.00 31.24 O ATOM 1578 CG2 THR A 99 6.494 -47.385 -35.997 1.00 42.12 C ATOM 0 H THR A 99 8.855 -46.477 -33.164 1.00 31.23 H new ATOM 0 HA THR A 99 8.841 -48.322 -35.453 1.00 33.30 H new ATOM 0 HB THR A 99 8.086 -46.195 -36.778 1.00 75.31 H new ATOM 0 HG1 THR A 99 6.657 -44.861 -35.485 1.00 31.24 H new ATOM 0 HG21 THR A 99 5.714 -46.811 -36.497 1.00 42.12 H new ATOM 0 HG22 THR A 99 6.757 -48.248 -36.608 1.00 42.12 H new ATOM 0 HG23 THR A 99 6.130 -47.725 -35.027 1.00 42.12 H new ATOM 1586 N LYS A 100 10.946 -47.297 -36.307 1.00 22.15 N ATOM 1587 CA LYS A 100 12.249 -46.788 -36.714 1.00 45.34 C ATOM 1588 C LYS A 100 12.148 -45.335 -37.169 1.00 73.52 C ATOM 1589 O LYS A 100 11.086 -44.858 -37.569 1.00 52.54 O ATOM 1590 CB LYS A 100 12.827 -47.647 -37.841 1.00 54.03 C ATOM 1591 CG LYS A 100 11.816 -47.989 -38.923 1.00 25.42 C ATOM 1592 CD LYS A 100 12.499 -48.470 -40.192 1.00 23.44 C ATOM 1593 CE LYS A 100 11.498 -48.690 -41.315 1.00 32.40 C ATOM 1594 NZ LYS A 100 11.135 -47.415 -41.992 1.00 44.21 N ATOM 0 H LYS A 100 10.681 -48.177 -36.749 1.00 22.15 H new ATOM 0 HA LYS A 100 12.914 -46.835 -35.852 1.00 45.34 H new ATOM 0 HB2 LYS A 100 13.667 -47.121 -38.294 1.00 54.03 H new ATOM 0 HB3 LYS A 100 13.220 -48.571 -37.417 1.00 54.03 H new ATOM 0 HG2 LYS A 100 11.139 -48.761 -38.558 1.00 25.42 H new ATOM 0 HG3 LYS A 100 11.209 -47.111 -39.146 1.00 25.42 H new ATOM 0 HD2 LYS A 100 13.244 -47.738 -40.505 1.00 23.44 H new ATOM 0 HD3 LYS A 100 13.031 -49.400 -39.990 1.00 23.44 H new ATOM 0 HE2 LYS A 100 11.918 -49.382 -42.045 1.00 32.40 H new ATOM 0 HE3 LYS A 100 10.599 -49.157 -40.913 1.00 32.40 H new ATOM 0 HZ1 LYS A 100 10.451 -47.608 -42.751 1.00 44.21 H new ATOM 0 HZ2 LYS A 100 10.711 -46.763 -41.301 1.00 44.21 H new ATOM 0 HZ3 LYS A 100 11.989 -46.982 -42.397 1.00 44.21 H new ATOM 1608 N PRO A 101 13.277 -44.615 -37.111 1.00 5.45 N ATOM 1609 CA PRO A 101 13.341 -43.207 -37.515 1.00 34.42 C ATOM 1610 C PRO A 101 13.191 -43.029 -39.022 1.00 11.24 C ATOM 1611 O PRO A 101 13.011 -44.001 -39.756 1.00 13.41 O ATOM 1612 CB PRO A 101 14.737 -42.770 -37.061 1.00 72.11 C ATOM 1613 CG PRO A 101 15.536 -44.026 -37.036 1.00 3.13 C ATOM 1614 CD PRO A 101 14.580 -45.119 -36.645 1.00 4.23 C ATOM 0 HA PRO A 101 12.533 -42.621 -37.078 1.00 34.42 H new ATOM 0 HB2 PRO A 101 15.167 -42.041 -37.748 1.00 72.11 H new ATOM 0 HB3 PRO A 101 14.705 -42.301 -36.077 1.00 72.11 H new ATOM 0 HG2 PRO A 101 15.979 -44.226 -38.012 1.00 3.13 H new ATOM 0 HG3 PRO A 101 16.357 -43.952 -36.322 1.00 3.13 H new ATOM 0 HD2 PRO A 101 14.837 -46.066 -37.119 1.00 4.23 H new ATOM 0 HD3 PRO A 101 14.583 -45.290 -35.568 1.00 4.23 H new ATOM 1622 N ARG A 102 13.268 -41.783 -39.476 1.00 54.02 N ATOM 1623 CA ARG A 102 13.139 -41.478 -40.896 1.00 64.54 C ATOM 1624 C ARG A 102 14.244 -42.158 -41.700 1.00 12.34 C ATOM 1625 O ARG A 102 15.420 -42.087 -41.340 1.00 21.01 O ATOM 1626 CB ARG A 102 13.185 -39.966 -41.122 1.00 43.12 C ATOM 1627 CG ARG A 102 13.048 -39.563 -42.581 1.00 32.42 C ATOM 1628 CD ARG A 102 13.214 -38.062 -42.763 1.00 22.54 C ATOM 1629 NE ARG A 102 12.190 -37.308 -42.045 1.00 41.42 N ATOM 1630 CZ ARG A 102 12.104 -35.982 -42.067 1.00 35.21 C ATOM 1631 NH1 ARG A 102 12.975 -35.270 -42.766 1.00 52.24 N ATOM 1632 NH2 ARG A 102 11.143 -35.368 -41.388 1.00 3.14 N ATOM 0 H ARG A 102 13.419 -40.968 -38.881 1.00 54.02 H new ATOM 0 HA ARG A 102 12.177 -41.859 -41.238 1.00 64.54 H new ATOM 0 HB2 ARG A 102 12.386 -39.497 -40.548 1.00 43.12 H new ATOM 0 HB3 ARG A 102 14.127 -39.578 -40.734 1.00 43.12 H new ATOM 0 HG2 ARG A 102 13.796 -40.088 -43.176 1.00 32.42 H new ATOM 0 HG3 ARG A 102 12.071 -39.870 -42.954 1.00 32.42 H new ATOM 0 HD2 ARG A 102 14.200 -37.761 -42.410 1.00 22.54 H new ATOM 0 HD3 ARG A 102 13.167 -37.818 -43.824 1.00 22.54 H new ATOM 0 HE ARG A 102 11.504 -37.827 -41.497 1.00 41.42 H new ATOM 0 HH11 ARG A 102 13.714 -35.739 -43.289 1.00 52.24 H new ATOM 0 HH12 ARG A 102 12.907 -34.252 -42.781 1.00 52.24 H new ATOM 0 HH21 ARG A 102 10.471 -35.914 -40.849 1.00 3.14 H new ATOM 0 HH22 ARG A 102 11.077 -34.350 -41.405 1.00 3.14 H new ATOM 1646 N ASP A 103 13.858 -42.815 -42.789 1.00 5.44 N ATOM 1647 CA ASP A 103 14.817 -43.505 -43.643 1.00 23.51 C ATOM 1648 C ASP A 103 15.475 -42.534 -44.618 1.00 70.44 C ATOM 1649 O ASP A 103 15.355 -42.684 -45.833 1.00 72.34 O ATOM 1650 CB ASP A 103 14.125 -44.631 -44.414 1.00 64.31 C ATOM 1651 CG ASP A 103 15.084 -45.739 -44.807 1.00 2.42 C ATOM 1652 OD1 ASP A 103 15.653 -46.381 -43.899 1.00 62.35 O ATOM 1653 OD2 ASP A 103 15.265 -45.962 -46.021 1.00 44.32 O ATOM 0 H ASP A 103 12.889 -42.884 -43.100 1.00 5.44 H new ATOM 0 HA ASP A 103 15.592 -43.932 -43.007 1.00 23.51 H new ATOM 0 HB2 ASP A 103 13.324 -45.047 -43.803 1.00 64.31 H new ATOM 0 HB3 ASP A 103 13.661 -44.221 -45.311 1.00 64.31 H new ATOM 1658 N MET A 104 16.169 -41.539 -44.076 1.00 61.41 N ATOM 1659 CA MET A 104 16.846 -40.543 -44.898 1.00 61.43 C ATOM 1660 C MET A 104 18.016 -41.166 -45.654 1.00 22.34 C ATOM 1661 O MET A 104 17.967 -41.328 -46.874 1.00 30.14 O ATOM 1662 CB MET A 104 17.342 -39.386 -44.031 1.00 54.43 C ATOM 1663 CG MET A 104 18.367 -39.802 -42.989 1.00 25.53 C ATOM 1664 SD MET A 104 19.185 -38.393 -42.216 1.00 64.15 S ATOM 1665 CE MET A 104 20.906 -38.839 -42.435 1.00 60.20 C ATOM 0 H MET A 104 16.277 -41.401 -43.071 1.00 61.41 H new ATOM 0 HA MET A 104 16.129 -40.161 -45.625 1.00 61.43 H new ATOM 0 HB2 MET A 104 17.780 -38.623 -44.674 1.00 54.43 H new ATOM 0 HB3 MET A 104 16.490 -38.929 -43.528 1.00 54.43 H new ATOM 0 HG2 MET A 104 17.876 -40.398 -42.220 1.00 25.53 H new ATOM 0 HG3 MET A 104 19.117 -40.440 -43.457 1.00 25.53 H new ATOM 0 HE1 MET A 104 21.540 -38.063 -42.007 1.00 60.20 H new ATOM 0 HE2 MET A 104 21.103 -39.786 -41.933 1.00 60.20 H new ATOM 0 HE3 MET A 104 21.123 -38.939 -43.498 1.00 60.20 H new TER 1675 MET A 104