USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1286 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 HIS :FLIP no HD1:sc= 0.0776 F(o=2.4,f=4.1) USER MOD Set 1.2: A 80 HIS : no HE2:sc= 0.598 K(o=4.1,f=-5.7) USER MOD Set 1.3: A 83 THR OG1 : rot -95:sc= 1.01 USER MOD Set 1.4: A 96 HIS : no HE2:sc= 1.84 K(o=4.1,f=-12!) USER MOD Set 1.5: A 168 SER OG : rot 149:sc= 0.562 USER MOD Set 2.1: A 122 TYR OH : rot 30:sc= 0.076 USER MOD Set 2.2: A 154 CYS SG : rot 93:sc= -4.48! USER MOD Set 3.1: A 116 THR OG1 : rot -83:sc= 0.588 USER MOD Set 3.2: A 121 SER OG : rot 128:sc= 0.366 USER MOD Set 4.1: A 105 SER OG : rot -35:sc= 0.473 USER MOD Set 4.2: A 107 THR OG1 : rot -61:sc= 0.369 USER MOD Set 5.1: A 26 HIS : no HD1:sc= -0.0902 X(o=0.2,f=0.3) USER MOD Set 5.2: A 71 SER OG : rot -155:sc= 0.295 USER MOD Set 6.1: A 51 TYR OH : rot 150:sc= -0.0882 USER MOD Set 6.2: A 176 THR OG1 : rot 48:sc= 0.206 USER MOD Set 7.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 29:sc= 0.132 USER MOD Single : A 10 THR OG1 : rot 71:sc= 1.2 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 13 GLN : amide:sc= -0.457 K(o=-0.46,f=-2.8!) USER MOD Single : A 15 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.49) USER MOD Single : A 19 LYS NZ :NH3+ 143:sc= 1.84 (180deg=-0.153) USER MOD Single : A 24 SER OG : rot 105:sc= 0.566 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -35:sc= 0.369 USER MOD Single : A 44 TYR OH : rot 100:sc= 0.601 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 46:sc= 0.378 USER MOD Single : A 65 SER OG : rot 43:sc= 0.0617 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN :FLIP amide:sc= -1.57! C(o=-4!,f=-1.6!) USER MOD Single : A 115 LYS NZ :NH3+ -172:sc=-0.00242 (180deg=-0.0717) USER MOD Single : A 117 THR OG1 : rot 60:sc= 0.284 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 120 GLN :FLIP amide:sc= -1.5 F(o=-2.5,f=-1.5) USER MOD Single : A 127 TYR OH : rot -88:sc= 0.916 USER MOD Single : A 128 MET CE :methyl -119:sc= -0.229 (180deg=-0.278) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -0.427 K(o=-0.43,f=-3.9!) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 157 SER OG : rot 56:sc= 0.263 USER MOD Single : A 159 THR OG1 : rot -25:sc= 0.302 USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 162 CYS SG : rot 180:sc= 0.0335 USER MOD Single : A 169 ASN : amide:sc= -1.9 K(o=-1.9,f=-9.4!) USER MOD Single : A 173 THR OG1 : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 -14.286 2.899 -15.880 1.00 24.43 N ATOM 60 CA THR A 5 -14.040 1.632 -15.156 1.00 14.20 C ATOM 61 C THR A 5 -12.646 1.025 -15.453 1.00 44.21 C ATOM 62 O THR A 5 -11.839 0.827 -14.530 1.00 62.14 O ATOM 63 CB THR A 5 -15.152 0.584 -15.500 1.00 4.22 C ATOM 64 OG1 THR A 5 -16.453 1.155 -15.277 1.00 14.53 O ATOM 65 CG2 THR A 5 -15.022 -0.704 -14.668 1.00 51.34 C ATOM 0 HA THR A 5 -14.068 1.874 -14.093 1.00 14.20 H new ATOM 0 HB THR A 5 -15.026 0.321 -16.550 1.00 4.22 H new ATOM 0 HG1 THR A 5 -16.413 2.124 -15.416 1.00 14.53 H new ATOM 0 HG21 THR A 5 -15.816 -1.397 -14.945 1.00 51.34 H new ATOM 0 HG22 THR A 5 -14.054 -1.166 -14.861 1.00 51.34 H new ATOM 0 HG23 THR A 5 -15.104 -0.462 -13.608 1.00 51.34 H new ATOM 73 N GLU A 6 -12.373 0.724 -16.741 1.00 3.12 N ATOM 74 CA GLU A 6 -11.104 0.080 -17.155 1.00 43.43 C ATOM 75 C GLU A 6 -9.910 1.033 -16.953 1.00 1.33 C ATOM 76 O GLU A 6 -8.788 0.569 -16.815 1.00 44.01 O ATOM 77 CB GLU A 6 -11.166 -0.439 -18.634 1.00 24.03 C ATOM 78 CG GLU A 6 -10.722 0.568 -19.721 1.00 13.34 C ATOM 79 CD GLU A 6 -10.823 0.016 -21.150 1.00 15.42 C ATOM 80 OE1 GLU A 6 -9.923 -0.745 -21.565 1.00 1.34 O ATOM 81 OE2 GLU A 6 -11.781 0.366 -21.875 1.00 75.21 O ATOM 0 H GLU A 6 -13.012 0.916 -17.512 1.00 3.12 H new ATOM 0 HA GLU A 6 -10.958 -0.789 -16.514 1.00 43.43 H new ATOM 0 HB2 GLU A 6 -10.541 -1.329 -18.713 1.00 24.03 H new ATOM 0 HB3 GLU A 6 -12.189 -0.748 -18.848 1.00 24.03 H new ATOM 0 HG2 GLU A 6 -11.334 1.466 -19.644 1.00 13.34 H new ATOM 0 HG3 GLU A 6 -9.692 0.867 -19.528 1.00 13.34 H new ATOM 88 N ASP A 7 -10.183 2.362 -16.932 1.00 41.44 N ATOM 89 CA ASP A 7 -9.159 3.414 -16.721 1.00 23.35 C ATOM 90 C ASP A 7 -8.452 3.231 -15.366 1.00 45.32 C ATOM 91 O ASP A 7 -7.224 3.392 -15.281 1.00 63.54 O ATOM 92 CB ASP A 7 -9.795 4.822 -16.804 1.00 30.52 C ATOM 93 CG ASP A 7 -8.781 5.964 -16.586 1.00 34.31 C ATOM 94 OD1 ASP A 7 -8.036 6.301 -17.531 1.00 12.41 O ATOM 95 OD2 ASP A 7 -8.711 6.515 -15.464 1.00 42.35 O ATOM 0 H ASP A 7 -11.124 2.734 -17.062 1.00 41.44 H new ATOM 0 HA ASP A 7 -8.416 3.319 -17.513 1.00 23.35 H new ATOM 0 HB2 ASP A 7 -10.265 4.944 -17.780 1.00 30.52 H new ATOM 0 HB3 ASP A 7 -10.586 4.900 -16.058 1.00 30.52 H new ATOM 100 N TRP A 8 -9.254 2.927 -14.324 1.00 60.31 N ATOM 101 CA TRP A 8 -8.745 2.477 -13.008 1.00 40.10 C ATOM 102 C TRP A 8 -7.690 1.365 -13.181 1.00 44.13 C ATOM 103 O TRP A 8 -6.574 1.493 -12.691 1.00 63.23 O ATOM 104 CB TRP A 8 -9.920 2.003 -12.078 1.00 4.54 C ATOM 105 CG TRP A 8 -9.514 1.013 -10.986 1.00 32.14 C ATOM 106 CD1 TRP A 8 -8.806 1.258 -9.833 1.00 73.01 C ATOM 107 CD2 TRP A 8 -9.780 -0.399 -10.986 1.00 4.22 C ATOM 108 NE1 TRP A 8 -8.615 0.085 -9.140 1.00 61.21 N ATOM 109 CE2 TRP A 8 -9.216 -0.939 -9.825 1.00 13.25 C ATOM 110 CE3 TRP A 8 -10.446 -1.250 -11.874 1.00 42.20 C ATOM 111 CZ2 TRP A 8 -9.291 -2.302 -9.522 1.00 54.45 C ATOM 112 CZ3 TRP A 8 -10.530 -2.590 -11.565 1.00 20.45 C ATOM 113 CH2 TRP A 8 -9.960 -3.104 -10.399 1.00 43.11 C ATOM 0 H TRP A 8 -10.271 2.986 -14.369 1.00 60.31 H new ATOM 0 HA TRP A 8 -8.263 3.327 -12.524 1.00 40.10 H new ATOM 0 HB2 TRP A 8 -10.368 2.878 -11.607 1.00 4.54 H new ATOM 0 HB3 TRP A 8 -10.691 1.544 -12.696 1.00 4.54 H new ATOM 0 HD1 TRP A 8 -8.452 2.228 -9.518 1.00 73.01 H new ATOM 0 HE1 TRP A 8 -8.108 -0.008 -8.260 1.00 61.21 H new ATOM 0 HE3 TRP A 8 -10.885 -0.865 -12.782 1.00 42.20 H new ATOM 0 HZ2 TRP A 8 -8.837 -2.704 -8.628 1.00 54.45 H new ATOM 0 HZ3 TRP A 8 -11.048 -3.257 -12.239 1.00 20.45 H new ATOM 0 HH2 TRP A 8 -10.051 -4.159 -10.187 1.00 43.11 H new ATOM 124 N GLU A 9 -8.058 0.300 -13.911 1.00 24.42 N ATOM 125 CA GLU A 9 -7.177 -0.856 -14.139 1.00 51.33 C ATOM 126 C GLU A 9 -5.962 -0.469 -15.020 1.00 35.44 C ATOM 127 O GLU A 9 -4.881 -1.007 -14.839 1.00 73.00 O ATOM 128 CB GLU A 9 -7.982 -2.021 -14.776 1.00 3.22 C ATOM 129 CG GLU A 9 -7.148 -3.273 -15.085 1.00 2.45 C ATOM 130 CD GLU A 9 -7.962 -4.411 -15.712 1.00 63.31 C ATOM 131 OE1 GLU A 9 -8.182 -4.386 -16.941 1.00 50.24 O ATOM 132 OE2 GLU A 9 -8.385 -5.335 -14.983 1.00 64.14 O ATOM 0 H GLU A 9 -8.971 0.216 -14.358 1.00 24.42 H new ATOM 0 HA GLU A 9 -6.788 -1.189 -13.177 1.00 51.33 H new ATOM 0 HB2 GLU A 9 -8.793 -2.297 -14.103 1.00 3.22 H new ATOM 0 HB3 GLU A 9 -8.440 -1.668 -15.700 1.00 3.22 H new ATOM 0 HG2 GLU A 9 -6.337 -3.002 -15.761 1.00 2.45 H new ATOM 0 HG3 GLU A 9 -6.689 -3.630 -14.163 1.00 2.45 H new ATOM 139 N THR A 10 -6.153 0.502 -15.932 1.00 11.43 N ATOM 140 CA THR A 10 -5.138 0.905 -16.927 1.00 43.32 C ATOM 141 C THR A 10 -3.938 1.618 -16.252 1.00 35.11 C ATOM 142 O THR A 10 -2.782 1.211 -16.439 1.00 0.42 O ATOM 143 CB THR A 10 -5.776 1.820 -18.034 1.00 62.04 C ATOM 144 OG1 THR A 10 -6.844 1.115 -18.684 1.00 75.40 O ATOM 145 CG2 THR A 10 -4.752 2.267 -19.099 1.00 53.21 C ATOM 0 H THR A 10 -7.021 1.033 -16.001 1.00 11.43 H new ATOM 0 HA THR A 10 -4.762 -0.001 -17.403 1.00 43.32 H new ATOM 0 HB THR A 10 -6.147 2.714 -17.534 1.00 62.04 H new ATOM 0 HG1 THR A 10 -7.605 1.037 -18.071 1.00 75.40 H new ATOM 0 HG21 THR A 10 -5.247 2.896 -19.838 1.00 53.21 H new ATOM 0 HG22 THR A 10 -3.952 2.831 -18.620 1.00 53.21 H new ATOM 0 HG23 THR A 10 -4.333 1.390 -19.592 1.00 53.21 H new ATOM 153 N GLN A 11 -4.222 2.683 -15.477 1.00 54.33 N ATOM 154 CA GLN A 11 -3.199 3.400 -14.677 1.00 54.30 C ATOM 155 C GLN A 11 -2.526 2.456 -13.653 1.00 63.03 C ATOM 156 O GLN A 11 -1.303 2.485 -13.460 1.00 15.12 O ATOM 157 CB GLN A 11 -3.851 4.619 -13.949 1.00 1.21 C ATOM 158 CG GLN A 11 -5.019 4.255 -12.999 1.00 1.22 C ATOM 159 CD GLN A 11 -5.688 5.437 -12.300 1.00 14.24 C ATOM 160 OE1 GLN A 11 -5.711 6.557 -12.810 1.00 31.23 O ATOM 161 NE2 GLN A 11 -6.266 5.196 -11.131 1.00 14.31 N ATOM 0 H GLN A 11 -5.160 3.072 -15.385 1.00 54.33 H new ATOM 0 HA GLN A 11 -2.425 3.761 -15.355 1.00 54.30 H new ATOM 0 HB2 GLN A 11 -3.082 5.137 -13.376 1.00 1.21 H new ATOM 0 HB3 GLN A 11 -4.216 5.321 -14.699 1.00 1.21 H new ATOM 0 HG2 GLN A 11 -5.775 3.717 -13.570 1.00 1.22 H new ATOM 0 HG3 GLN A 11 -4.646 3.569 -12.239 1.00 1.22 H new ATOM 0 HE21 GLN A 11 -6.233 4.259 -10.729 1.00 14.31 H new ATOM 0 HE22 GLN A 11 -6.744 5.948 -10.634 1.00 14.31 H new ATOM 170 N LEU A 12 -3.354 1.592 -13.051 1.00 22.43 N ATOM 171 CA LEU A 12 -2.977 0.737 -11.919 1.00 25.43 C ATOM 172 C LEU A 12 -2.025 -0.391 -12.329 1.00 21.22 C ATOM 173 O LEU A 12 -1.036 -0.668 -11.627 1.00 13.41 O ATOM 174 CB LEU A 12 -4.261 0.172 -11.276 1.00 1.52 C ATOM 175 CG LEU A 12 -4.092 -0.720 -10.018 1.00 22.32 C ATOM 176 CD1 LEU A 12 -3.261 -0.003 -8.924 1.00 42.14 C ATOM 177 CD2 LEU A 12 -5.476 -1.171 -9.495 1.00 64.10 C ATOM 0 H LEU A 12 -4.323 1.466 -13.343 1.00 22.43 H new ATOM 0 HA LEU A 12 -2.433 1.343 -11.194 1.00 25.43 H new ATOM 0 HB2 LEU A 12 -4.903 1.012 -11.011 1.00 1.52 H new ATOM 0 HB3 LEU A 12 -4.790 -0.408 -12.032 1.00 1.52 H new ATOM 0 HG LEU A 12 -3.533 -1.613 -10.297 1.00 22.32 H new ATOM 0 HD11 LEU A 12 -3.162 -0.655 -8.057 1.00 42.14 H new ATOM 0 HD12 LEU A 12 -2.272 0.234 -9.315 1.00 42.14 H new ATOM 0 HD13 LEU A 12 -3.765 0.918 -8.630 1.00 42.14 H new ATOM 0 HD21 LEU A 12 -5.345 -1.796 -8.612 1.00 64.10 H new ATOM 0 HD22 LEU A 12 -6.070 -0.295 -9.234 1.00 64.10 H new ATOM 0 HD23 LEU A 12 -5.990 -1.740 -10.270 1.00 64.10 H new ATOM 189 N GLN A 13 -2.332 -1.043 -13.465 1.00 72.54 N ATOM 190 CA GLN A 13 -1.506 -2.141 -13.992 1.00 64.02 C ATOM 191 C GLN A 13 -0.119 -1.609 -14.350 1.00 60.42 C ATOM 192 O GLN A 13 0.874 -2.247 -14.045 1.00 54.11 O ATOM 193 CB GLN A 13 -2.172 -2.847 -15.208 1.00 43.12 C ATOM 194 CG GLN A 13 -2.380 -1.965 -16.462 1.00 50.32 C ATOM 195 CD GLN A 13 -3.050 -2.674 -17.643 1.00 53.14 C ATOM 196 OE1 GLN A 13 -3.798 -2.054 -18.404 1.00 62.33 O ATOM 197 NE2 GLN A 13 -2.741 -3.955 -17.854 1.00 72.34 N ATOM 0 H GLN A 13 -3.149 -0.826 -14.036 1.00 72.54 H new ATOM 0 HA GLN A 13 -1.409 -2.898 -13.214 1.00 64.02 H new ATOM 0 HB2 GLN A 13 -1.560 -3.705 -15.487 1.00 43.12 H new ATOM 0 HB3 GLN A 13 -3.141 -3.235 -14.894 1.00 43.12 H new ATOM 0 HG2 GLN A 13 -2.984 -1.101 -16.185 1.00 50.32 H new ATOM 0 HG3 GLN A 13 -1.411 -1.585 -16.787 1.00 50.32 H new ATOM 0 HE21 GLN A 13 -2.120 -4.443 -17.208 1.00 72.34 H new ATOM 0 HE22 GLN A 13 -3.126 -4.446 -18.661 1.00 72.34 H new ATOM 206 N ALA A 14 -0.080 -0.391 -14.922 1.00 42.10 N ATOM 207 CA ALA A 14 1.166 0.276 -15.332 1.00 4.40 C ATOM 208 C ALA A 14 2.093 0.536 -14.126 1.00 33.24 C ATOM 209 O ALA A 14 3.311 0.338 -14.220 1.00 55.53 O ATOM 210 CB ALA A 14 0.833 1.586 -16.056 1.00 31.12 C ATOM 0 H ALA A 14 -0.917 0.159 -15.113 1.00 42.10 H new ATOM 0 HA ALA A 14 1.703 -0.384 -16.013 1.00 4.40 H new ATOM 0 HB1 ALA A 14 1.757 2.079 -16.359 1.00 31.12 H new ATOM 0 HB2 ALA A 14 0.230 1.371 -16.938 1.00 31.12 H new ATOM 0 HB3 ALA A 14 0.275 2.240 -15.386 1.00 31.12 H new ATOM 216 N ASN A 15 1.487 0.979 -13.005 1.00 52.02 N ATOM 217 CA ASN A 15 2.197 1.232 -11.727 1.00 0.40 C ATOM 218 C ASN A 15 2.924 -0.032 -11.230 1.00 21.32 C ATOM 219 O ASN A 15 4.132 -0.010 -10.988 1.00 60.32 O ATOM 220 CB ASN A 15 1.196 1.731 -10.636 1.00 14.20 C ATOM 221 CG ASN A 15 0.549 3.085 -10.955 1.00 21.32 C ATOM 222 OD1 ASN A 15 1.157 3.941 -11.598 1.00 44.03 O ATOM 223 ND2 ASN A 15 -0.694 3.283 -10.524 1.00 74.04 N ATOM 0 H ASN A 15 0.487 1.173 -12.957 1.00 52.02 H new ATOM 0 HA ASN A 15 2.943 2.006 -11.911 1.00 0.40 H new ATOM 0 HB2 ASN A 15 0.411 0.986 -10.510 1.00 14.20 H new ATOM 0 HB3 ASN A 15 1.720 1.806 -9.683 1.00 14.20 H new ATOM 0 HD21 ASN A 15 -1.169 4.163 -10.724 1.00 74.04 H new ATOM 0 HD22 ASN A 15 -1.172 2.555 -9.993 1.00 74.04 H new ATOM 230 N ARG A 16 2.169 -1.134 -11.111 1.00 52.03 N ATOM 231 CA ARG A 16 2.677 -2.401 -10.530 1.00 53.42 C ATOM 232 C ARG A 16 3.502 -3.226 -11.547 1.00 31.25 C ATOM 233 O ARG A 16 4.290 -4.089 -11.139 1.00 23.24 O ATOM 234 CB ARG A 16 1.505 -3.251 -9.961 1.00 3.30 C ATOM 235 CG ARG A 16 0.454 -3.669 -11.012 1.00 34.25 C ATOM 236 CD ARG A 16 -0.674 -4.544 -10.436 1.00 15.31 C ATOM 237 NE ARG A 16 -1.656 -4.910 -11.480 1.00 41.24 N ATOM 238 CZ ARG A 16 -2.021 -6.157 -11.814 1.00 22.13 C ATOM 239 NH1 ARG A 16 -1.498 -7.213 -11.201 1.00 33.13 N ATOM 240 NH2 ARG A 16 -2.919 -6.333 -12.763 1.00 13.23 N ATOM 0 H ARG A 16 1.195 -1.180 -11.410 1.00 52.03 H new ATOM 0 HA ARG A 16 3.349 -2.132 -9.715 1.00 53.42 H new ATOM 0 HB2 ARG A 16 1.914 -4.148 -9.497 1.00 3.30 H new ATOM 0 HB3 ARG A 16 1.009 -2.683 -9.174 1.00 3.30 H new ATOM 0 HG2 ARG A 16 0.018 -2.773 -11.455 1.00 34.25 H new ATOM 0 HG3 ARG A 16 0.951 -4.213 -11.815 1.00 34.25 H new ATOM 0 HD2 ARG A 16 -0.249 -5.448 -10.000 1.00 15.31 H new ATOM 0 HD3 ARG A 16 -1.178 -4.009 -9.631 1.00 15.31 H new ATOM 0 HE ARG A 16 -2.095 -4.145 -11.992 1.00 41.24 H new ATOM 0 HH11 ARG A 16 -0.806 -7.083 -10.463 1.00 33.13 H new ATOM 0 HH12 ARG A 16 -1.788 -8.154 -11.469 1.00 33.13 H new ATOM 0 HH21 ARG A 16 -3.328 -5.526 -13.234 1.00 13.23 H new ATOM 0 HH22 ARG A 16 -3.205 -7.276 -13.026 1.00 13.23 H new ATOM 254 N ASP A 17 3.347 -2.944 -12.859 1.00 12.50 N ATOM 255 CA ASP A 17 3.974 -3.748 -13.944 1.00 44.33 C ATOM 256 C ASP A 17 5.482 -3.477 -14.005 1.00 22.43 C ATOM 257 O ASP A 17 6.289 -4.400 -14.051 1.00 72.43 O ATOM 258 CB ASP A 17 3.320 -3.434 -15.314 1.00 51.42 C ATOM 259 CG ASP A 17 3.795 -4.353 -16.450 1.00 0.42 C ATOM 260 OD1 ASP A 17 3.241 -5.463 -16.596 1.00 72.23 O ATOM 261 OD2 ASP A 17 4.718 -3.969 -17.199 1.00 63.44 O ATOM 0 H ASP A 17 2.790 -2.160 -13.199 1.00 12.50 H new ATOM 0 HA ASP A 17 3.813 -4.803 -13.721 1.00 44.33 H new ATOM 0 HB2 ASP A 17 2.238 -3.519 -15.218 1.00 51.42 H new ATOM 0 HB3 ASP A 17 3.536 -2.399 -15.581 1.00 51.42 H new ATOM 266 N GLU A 18 5.852 -2.193 -14.033 1.00 31.41 N ATOM 267 CA GLU A 18 7.269 -1.773 -13.931 1.00 4.43 C ATOM 268 C GLU A 18 7.857 -2.080 -12.539 1.00 74.30 C ATOM 269 O GLU A 18 9.072 -2.066 -12.359 1.00 42.23 O ATOM 270 CB GLU A 18 7.423 -0.272 -14.254 1.00 63.22 C ATOM 271 CG GLU A 18 6.561 0.654 -13.380 1.00 10.32 C ATOM 272 CD GLU A 18 6.918 2.132 -13.549 1.00 1.04 C ATOM 273 OE1 GLU A 18 6.369 2.788 -14.461 1.00 71.44 O ATOM 274 OE2 GLU A 18 7.780 2.628 -12.789 1.00 23.02 O ATOM 0 H GLU A 18 5.195 -1.419 -14.125 1.00 31.41 H new ATOM 0 HA GLU A 18 7.829 -2.350 -14.667 1.00 4.43 H new ATOM 0 HB2 GLU A 18 8.470 0.008 -14.137 1.00 63.22 H new ATOM 0 HB3 GLU A 18 7.165 -0.109 -15.300 1.00 63.22 H new ATOM 0 HG2 GLU A 18 5.510 0.508 -13.631 1.00 10.32 H new ATOM 0 HG3 GLU A 18 6.681 0.373 -12.334 1.00 10.32 H new ATOM 281 N LYS A 19 6.991 -2.338 -11.547 1.00 21.22 N ATOM 282 CA LYS A 19 7.423 -2.752 -10.198 1.00 61.24 C ATOM 283 C LYS A 19 7.595 -4.273 -10.084 1.00 34.10 C ATOM 284 O LYS A 19 8.004 -4.771 -9.030 1.00 20.03 O ATOM 285 CB LYS A 19 6.492 -2.157 -9.114 1.00 55.44 C ATOM 286 CG LYS A 19 6.627 -0.621 -9.031 1.00 54.31 C ATOM 287 CD LYS A 19 5.739 0.042 -7.966 1.00 60.40 C ATOM 288 CE LYS A 19 5.965 1.564 -7.925 1.00 71.43 C ATOM 289 NZ LYS A 19 5.131 2.227 -6.892 1.00 32.31 N ATOM 0 H LYS A 19 5.979 -2.267 -11.653 1.00 21.22 H new ATOM 0 HA LYS A 19 8.416 -2.338 -10.021 1.00 61.24 H new ATOM 0 HB2 LYS A 19 5.458 -2.421 -9.337 1.00 55.44 H new ATOM 0 HB3 LYS A 19 6.732 -2.597 -8.146 1.00 55.44 H new ATOM 0 HG2 LYS A 19 7.668 -0.371 -8.824 1.00 54.31 H new ATOM 0 HG3 LYS A 19 6.384 -0.195 -10.004 1.00 54.31 H new ATOM 0 HD2 LYS A 19 4.691 -0.167 -8.180 1.00 60.40 H new ATOM 0 HD3 LYS A 19 5.956 -0.388 -6.988 1.00 60.40 H new ATOM 0 HE2 LYS A 19 7.017 1.768 -7.726 1.00 71.43 H new ATOM 0 HE3 LYS A 19 5.737 1.990 -8.902 1.00 71.43 H new ATOM 0 HZ1 LYS A 19 5.671 3.001 -6.454 1.00 32.31 H new ATOM 0 HZ2 LYS A 19 4.271 2.611 -7.334 1.00 32.31 H new ATOM 0 HZ3 LYS A 19 4.866 1.534 -6.163 1.00 32.31 H new ATOM 303 N ASP A 20 7.303 -4.993 -11.175 1.00 2.35 N ATOM 304 CA ASP A 20 7.703 -6.407 -11.338 1.00 51.22 C ATOM 305 C ASP A 20 9.245 -6.528 -11.353 1.00 53.21 C ATOM 306 O ASP A 20 9.810 -7.506 -10.850 1.00 72.44 O ATOM 307 CB ASP A 20 7.092 -6.995 -12.632 1.00 24.43 C ATOM 308 CG ASP A 20 7.390 -8.484 -12.830 1.00 71.30 C ATOM 309 OD1 ASP A 20 6.760 -9.316 -12.144 1.00 73.32 O ATOM 310 OD2 ASP A 20 8.263 -8.834 -13.665 1.00 13.22 O ATOM 0 H ASP A 20 6.785 -4.618 -11.970 1.00 2.35 H new ATOM 0 HA ASP A 20 7.322 -6.979 -10.492 1.00 51.22 H new ATOM 0 HB2 ASP A 20 6.012 -6.849 -12.613 1.00 24.43 H new ATOM 0 HB3 ASP A 20 7.474 -6.440 -13.489 1.00 24.43 H new ATOM 315 N ARG A 21 9.919 -5.489 -11.906 1.00 63.42 N ATOM 316 CA ARG A 21 11.396 -5.414 -11.943 1.00 43.32 C ATOM 317 C ARG A 21 11.934 -4.587 -10.746 1.00 71.21 C ATOM 318 O ARG A 21 13.135 -4.376 -10.640 1.00 31.00 O ATOM 319 CB ARG A 21 11.906 -4.823 -13.297 1.00 11.30 C ATOM 320 CG ARG A 21 11.603 -3.323 -13.523 1.00 61.21 C ATOM 321 CD ARG A 21 12.211 -2.751 -14.822 1.00 43.21 C ATOM 322 NE ARG A 21 11.647 -3.389 -16.023 1.00 10.45 N ATOM 323 CZ ARG A 21 11.545 -2.829 -17.238 1.00 62.55 C ATOM 324 NH1 ARG A 21 11.982 -1.594 -17.470 1.00 20.31 N ATOM 325 NH2 ARG A 21 10.959 -3.508 -18.213 1.00 63.42 N ATOM 0 H ARG A 21 9.456 -4.687 -12.335 1.00 63.42 H new ATOM 0 HA ARG A 21 11.780 -6.431 -11.861 1.00 43.32 H new ATOM 0 HB2 ARG A 21 12.984 -4.971 -13.355 1.00 11.30 H new ATOM 0 HB3 ARG A 21 11.461 -5.393 -14.113 1.00 11.30 H new ATOM 0 HG2 ARG A 21 10.523 -3.180 -13.545 1.00 61.21 H new ATOM 0 HG3 ARG A 21 11.982 -2.754 -12.674 1.00 61.21 H new ATOM 0 HD2 ARG A 21 12.031 -1.677 -14.864 1.00 43.21 H new ATOM 0 HD3 ARG A 21 13.292 -2.893 -14.810 1.00 43.21 H new ATOM 0 HE ARG A 21 11.302 -4.344 -15.922 1.00 10.45 H new ATOM 0 HH11 ARG A 21 12.405 -1.053 -16.716 1.00 20.31 H new ATOM 0 HH12 ARG A 21 11.894 -1.189 -18.402 1.00 20.31 H new ATOM 0 HH21 ARG A 21 10.593 -4.443 -18.035 1.00 63.42 H new ATOM 0 HH22 ARG A 21 10.874 -3.096 -19.142 1.00 63.42 H new ATOM 339 N PHE A 22 11.038 -4.097 -9.873 1.00 1.42 N ATOM 340 CA PHE A 22 11.424 -3.431 -8.602 1.00 21.24 C ATOM 341 C PHE A 22 11.993 -4.474 -7.611 1.00 3.43 C ATOM 342 O PHE A 22 13.082 -4.300 -7.055 1.00 21.13 O ATOM 343 CB PHE A 22 10.192 -2.700 -8.008 1.00 62.42 C ATOM 344 CG PHE A 22 10.452 -1.751 -6.832 1.00 51.02 C ATOM 345 CD1 PHE A 22 10.726 -0.397 -7.050 1.00 31.22 C ATOM 346 CD2 PHE A 22 10.386 -2.200 -5.514 1.00 65.25 C ATOM 347 CE1 PHE A 22 10.923 0.470 -5.990 1.00 52.41 C ATOM 348 CE2 PHE A 22 10.588 -1.334 -4.455 1.00 21.12 C ATOM 349 CZ PHE A 22 10.853 0.002 -4.691 1.00 43.40 C ATOM 0 H PHE A 22 10.030 -4.147 -10.020 1.00 1.42 H new ATOM 0 HA PHE A 22 12.203 -2.693 -8.793 1.00 21.24 H new ATOM 0 HB2 PHE A 22 9.718 -2.129 -8.807 1.00 62.42 H new ATOM 0 HB3 PHE A 22 9.473 -3.453 -7.684 1.00 62.42 H new ATOM 0 HD1 PHE A 22 10.785 -0.022 -8.061 1.00 31.22 H new ATOM 0 HD2 PHE A 22 10.174 -3.240 -5.317 1.00 65.25 H new ATOM 0 HE1 PHE A 22 11.132 1.513 -6.177 1.00 52.41 H new ATOM 0 HE2 PHE A 22 10.539 -1.702 -3.441 1.00 21.12 H new ATOM 0 HZ PHE A 22 11.005 0.678 -3.863 1.00 43.40 H new ATOM 359 N PHE A 23 11.237 -5.572 -7.433 1.00 65.30 N ATOM 360 CA PHE A 23 11.628 -6.707 -6.556 1.00 52.24 C ATOM 361 C PHE A 23 12.715 -7.599 -7.201 1.00 2.35 C ATOM 362 O PHE A 23 13.227 -8.504 -6.541 1.00 51.33 O ATOM 363 CB PHE A 23 10.376 -7.568 -6.179 1.00 11.03 C ATOM 364 CG PHE A 23 9.578 -7.064 -4.968 1.00 13.12 C ATOM 365 CD1 PHE A 23 9.037 -5.778 -4.940 1.00 11.41 C ATOM 366 CD2 PHE A 23 9.369 -7.887 -3.854 1.00 53.34 C ATOM 367 CE1 PHE A 23 8.317 -5.332 -3.843 1.00 74.44 C ATOM 368 CE2 PHE A 23 8.651 -7.441 -2.761 1.00 42.21 C ATOM 369 CZ PHE A 23 8.121 -6.167 -2.755 1.00 23.42 C ATOM 0 H PHE A 23 10.335 -5.704 -7.891 1.00 65.30 H new ATOM 0 HA PHE A 23 12.054 -6.277 -5.649 1.00 52.24 H new ATOM 0 HB2 PHE A 23 9.710 -7.609 -7.041 1.00 11.03 H new ATOM 0 HB3 PHE A 23 10.703 -8.588 -5.979 1.00 11.03 H new ATOM 0 HD1 PHE A 23 9.181 -5.121 -5.785 1.00 11.41 H new ATOM 0 HD2 PHE A 23 9.776 -8.887 -3.849 1.00 53.34 H new ATOM 0 HE1 PHE A 23 7.908 -4.332 -3.836 1.00 74.44 H new ATOM 0 HE2 PHE A 23 8.504 -8.090 -1.910 1.00 42.21 H new ATOM 0 HZ PHE A 23 7.554 -5.821 -1.903 1.00 23.42 H new ATOM 379 N SER A 24 13.044 -7.364 -8.485 1.00 55.45 N ATOM 380 CA SER A 24 13.968 -8.229 -9.253 1.00 23.12 C ATOM 381 C SER A 24 15.278 -7.505 -9.652 1.00 70.12 C ATOM 382 O SER A 24 16.369 -8.076 -9.531 1.00 72.41 O ATOM 383 CB SER A 24 13.231 -8.751 -10.504 1.00 13.35 C ATOM 384 OG SER A 24 12.004 -9.375 -10.140 1.00 35.32 O ATOM 0 H SER A 24 12.681 -6.575 -9.019 1.00 55.45 H new ATOM 0 HA SER A 24 14.266 -9.060 -8.613 1.00 23.12 H new ATOM 0 HB2 SER A 24 13.036 -7.925 -11.189 1.00 13.35 H new ATOM 0 HB3 SER A 24 13.864 -9.463 -11.035 1.00 13.35 H new ATOM 0 HG SER A 24 11.257 -8.781 -10.361 1.00 35.32 H new ATOM 390 N GLU A 25 15.176 -6.240 -10.100 1.00 44.11 N ATOM 391 CA GLU A 25 16.290 -5.512 -10.775 1.00 13.11 C ATOM 392 C GLU A 25 16.696 -4.233 -10.020 1.00 65.25 C ATOM 393 O GLU A 25 17.888 -3.903 -9.962 1.00 2.35 O ATOM 394 CB GLU A 25 15.892 -5.153 -12.238 1.00 64.03 C ATOM 395 CG GLU A 25 15.670 -6.363 -13.164 1.00 21.42 C ATOM 396 CD GLU A 25 16.930 -7.238 -13.331 1.00 45.41 C ATOM 397 OE1 GLU A 25 17.979 -6.703 -13.765 1.00 3.24 O ATOM 398 OE2 GLU A 25 16.886 -8.450 -13.027 1.00 24.53 O ATOM 0 H GLU A 25 14.324 -5.686 -10.009 1.00 44.11 H new ATOM 0 HA GLU A 25 17.151 -6.180 -10.779 1.00 13.11 H new ATOM 0 HB2 GLU A 25 14.979 -4.559 -12.215 1.00 64.03 H new ATOM 0 HB3 GLU A 25 16.671 -4.523 -12.667 1.00 64.03 H new ATOM 0 HG2 GLU A 25 14.861 -6.975 -12.765 1.00 21.42 H new ATOM 0 HG3 GLU A 25 15.349 -6.009 -14.144 1.00 21.42 H new ATOM 405 N HIS A 26 15.697 -3.504 -9.477 1.00 12.42 N ATOM 406 CA HIS A 26 15.925 -2.300 -8.640 1.00 52.43 C ATOM 407 C HIS A 26 16.686 -2.718 -7.386 1.00 3.11 C ATOM 408 O HIS A 26 17.692 -2.117 -7.001 1.00 64.33 O ATOM 409 CB HIS A 26 14.572 -1.627 -8.269 1.00 13.41 C ATOM 410 CG HIS A 26 14.619 -0.659 -7.103 1.00 45.32 C ATOM 411 ND1 HIS A 26 14.354 -1.080 -5.818 1.00 75.24 N ATOM 412 CD2 HIS A 26 14.918 0.663 -7.074 1.00 21.05 C ATOM 413 CE1 HIS A 26 14.489 -0.019 -5.048 1.00 62.34 C ATOM 414 NE2 HIS A 26 14.827 1.058 -5.766 1.00 54.21 N ATOM 0 H HIS A 26 14.711 -3.731 -9.605 1.00 12.42 H new ATOM 0 HA HIS A 26 16.512 -1.569 -9.196 1.00 52.43 H new ATOM 0 HB2 HIS A 26 14.199 -1.095 -9.144 1.00 13.41 H new ATOM 0 HB3 HIS A 26 13.849 -2.409 -8.039 1.00 13.41 H new ATOM 0 HD2 HIS A 26 15.178 1.284 -7.919 1.00 21.05 H new ATOM 0 HE1 HIS A 26 14.346 -0.019 -3.978 1.00 62.34 H new ATOM 0 HE2 HIS A 26 14.987 1.999 -5.406 1.00 54.21 H new ATOM 422 N ARG A 27 16.152 -3.759 -6.762 1.00 0.31 N ATOM 423 CA ARG A 27 16.793 -4.476 -5.671 1.00 1.51 C ATOM 424 C ARG A 27 16.715 -5.972 -5.942 1.00 65.12 C ATOM 425 O ARG A 27 15.749 -6.454 -6.548 1.00 73.20 O ATOM 426 CB ARG A 27 16.136 -4.106 -4.299 1.00 32.31 C ATOM 427 CG ARG A 27 16.820 -2.928 -3.569 1.00 33.15 C ATOM 428 CD ARG A 27 18.282 -3.265 -3.237 1.00 0.52 C ATOM 429 NE ARG A 27 18.912 -2.304 -2.313 1.00 2.13 N ATOM 430 CZ ARG A 27 19.413 -2.624 -1.109 1.00 43.51 C ATOM 431 NH1 ARG A 27 19.349 -3.874 -0.655 1.00 33.24 N ATOM 432 NH2 ARG A 27 19.971 -1.691 -0.353 1.00 30.21 N ATOM 0 H ARG A 27 15.237 -4.137 -7.008 1.00 0.31 H new ATOM 0 HA ARG A 27 17.842 -4.185 -5.611 1.00 1.51 H new ATOM 0 HB2 ARG A 27 15.088 -3.857 -4.466 1.00 32.31 H new ATOM 0 HB3 ARG A 27 16.156 -4.982 -3.651 1.00 32.31 H new ATOM 0 HG2 ARG A 27 16.781 -2.036 -4.194 1.00 33.15 H new ATOM 0 HG3 ARG A 27 16.278 -2.699 -2.652 1.00 33.15 H new ATOM 0 HD2 ARG A 27 18.326 -4.262 -2.798 1.00 0.52 H new ATOM 0 HD3 ARG A 27 18.858 -3.299 -4.162 1.00 0.52 H new ATOM 0 HE ARG A 27 18.971 -1.330 -2.609 1.00 2.13 H new ATOM 0 HH11 ARG A 27 18.916 -4.602 -1.224 1.00 33.24 H new ATOM 0 HH12 ARG A 27 19.733 -4.104 0.261 1.00 33.24 H new ATOM 0 HH21 ARG A 27 20.021 -0.728 -0.685 1.00 30.21 H new ATOM 0 HH22 ARG A 27 20.351 -1.935 0.561 1.00 30.21 H new ATOM 446 N GLN A 28 17.761 -6.695 -5.500 1.00 31.45 N ATOM 447 CA GLN A 28 17.757 -8.157 -5.443 1.00 15.54 C ATOM 448 C GLN A 28 16.628 -8.599 -4.498 1.00 14.34 C ATOM 449 O GLN A 28 16.373 -7.924 -3.482 1.00 2.14 O ATOM 450 CB GLN A 28 19.145 -8.702 -4.994 1.00 11.45 C ATOM 451 CG GLN A 28 19.646 -8.202 -3.627 1.00 71.42 C ATOM 452 CD GLN A 28 21.092 -8.611 -3.329 1.00 11.54 C ATOM 453 OE1 GLN A 28 21.349 -9.682 -2.775 1.00 21.44 O ATOM 454 NE2 GLN A 28 22.047 -7.764 -3.688 1.00 13.21 N ATOM 0 H GLN A 28 18.631 -6.275 -5.173 1.00 31.45 H new ATOM 0 HA GLN A 28 17.574 -8.572 -6.434 1.00 15.54 H new ATOM 0 HB2 GLN A 28 19.096 -9.791 -4.967 1.00 11.45 H new ATOM 0 HB3 GLN A 28 19.882 -8.435 -5.751 1.00 11.45 H new ATOM 0 HG2 GLN A 28 19.568 -7.115 -3.594 1.00 71.42 H new ATOM 0 HG3 GLN A 28 18.996 -8.592 -2.844 1.00 71.42 H new ATOM 0 HE21 GLN A 28 21.804 -6.885 -4.145 1.00 13.21 H new ATOM 0 HE22 GLN A 28 23.025 -7.991 -3.507 1.00 13.21 H new ATOM 463 N SER A 29 15.946 -9.686 -4.880 1.00 0.52 N ATOM 464 CA SER A 29 14.692 -10.121 -4.252 1.00 61.43 C ATOM 465 C SER A 29 14.803 -10.249 -2.711 1.00 71.21 C ATOM 466 O SER A 29 15.674 -10.974 -2.215 1.00 40.41 O ATOM 467 CB SER A 29 14.243 -11.455 -4.875 1.00 14.24 C ATOM 468 OG SER A 29 14.176 -11.365 -6.292 1.00 51.22 O ATOM 0 H SER A 29 16.252 -10.294 -5.640 1.00 0.52 H new ATOM 0 HA SER A 29 13.944 -9.351 -4.443 1.00 61.43 H new ATOM 0 HB2 SER A 29 14.939 -12.244 -4.591 1.00 14.24 H new ATOM 0 HB3 SER A 29 13.266 -11.733 -4.479 1.00 14.24 H new ATOM 0 HG SER A 29 13.873 -10.469 -6.549 1.00 51.22 H new ATOM 474 N PRO A 30 13.937 -9.511 -1.935 1.00 45.23 N ATOM 475 CA PRO A 30 13.797 -9.703 -0.469 1.00 14.30 C ATOM 476 C PRO A 30 13.171 -11.071 -0.173 1.00 52.40 C ATOM 477 O PRO A 30 13.507 -11.721 0.822 1.00 55.41 O ATOM 478 CB PRO A 30 12.868 -8.536 -0.041 1.00 55.05 C ATOM 479 CG PRO A 30 12.101 -8.190 -1.282 1.00 32.22 C ATOM 480 CD PRO A 30 13.051 -8.412 -2.429 1.00 13.32 C ATOM 0 HA PRO A 30 14.745 -9.692 0.069 1.00 14.30 H new ATOM 0 HB2 PRO A 30 12.201 -8.836 0.767 1.00 55.05 H new ATOM 0 HB3 PRO A 30 13.443 -7.683 0.321 1.00 55.05 H new ATOM 0 HG2 PRO A 30 11.215 -8.817 -1.381 1.00 32.22 H new ATOM 0 HG3 PRO A 30 11.758 -7.156 -1.254 1.00 32.22 H new ATOM 0 HD2 PRO A 30 12.523 -8.699 -3.338 1.00 13.32 H new ATOM 0 HD3 PRO A 30 13.619 -7.511 -2.661 1.00 13.32 H new ATOM 488 N ILE A 31 12.264 -11.492 -1.079 1.00 20.13 N ATOM 489 CA ILE A 31 11.629 -12.811 -1.045 1.00 4.30 C ATOM 490 C ILE A 31 12.747 -13.872 -1.210 1.00 12.54 C ATOM 491 O ILE A 31 13.466 -13.819 -2.217 1.00 72.53 O ATOM 492 CB ILE A 31 10.546 -12.966 -2.195 1.00 51.21 C ATOM 493 CG1 ILE A 31 9.593 -11.723 -2.258 1.00 2.21 C ATOM 494 CG2 ILE A 31 9.732 -14.276 -2.033 1.00 72.21 C ATOM 495 CD1 ILE A 31 8.710 -11.492 -1.033 1.00 2.22 C ATOM 0 H ILE A 31 11.954 -10.914 -1.860 1.00 20.13 H new ATOM 0 HA ILE A 31 11.105 -12.943 -0.098 1.00 4.30 H new ATOM 0 HB ILE A 31 11.086 -13.021 -3.140 1.00 51.21 H new ATOM 0 HG12 ILE A 31 10.201 -10.832 -2.416 1.00 2.21 H new ATOM 0 HG13 ILE A 31 8.949 -11.828 -3.131 1.00 2.21 H new ATOM 0 HG21 ILE A 31 8.999 -14.351 -2.837 1.00 72.21 H new ATOM 0 HG22 ILE A 31 10.407 -15.131 -2.076 1.00 72.21 H new ATOM 0 HG23 ILE A 31 9.217 -14.268 -1.072 1.00 72.21 H new ATOM 0 HD11 ILE A 31 8.095 -10.606 -1.190 1.00 2.22 H new ATOM 0 HD12 ILE A 31 8.066 -12.358 -0.880 1.00 2.22 H new ATOM 0 HD13 ILE A 31 9.338 -11.347 -0.154 1.00 2.22 H new ATOM 507 N PRO A 32 12.937 -14.814 -0.224 1.00 54.44 N ATOM 508 CA PRO A 32 14.083 -15.750 -0.218 1.00 14.41 C ATOM 509 C PRO A 32 14.048 -16.713 -1.420 1.00 62.54 C ATOM 510 O PRO A 32 12.955 -17.036 -1.908 1.00 1.23 O ATOM 511 CB PRO A 32 13.944 -16.510 1.143 1.00 54.31 C ATOM 512 CG PRO A 32 12.963 -15.709 1.944 1.00 42.31 C ATOM 513 CD PRO A 32 12.047 -15.077 0.929 1.00 10.31 C ATOM 0 HA PRO A 32 15.039 -15.234 -0.310 1.00 14.41 H new ATOM 0 HB2 PRO A 32 13.588 -17.529 0.990 1.00 54.31 H new ATOM 0 HB3 PRO A 32 14.904 -16.581 1.654 1.00 54.31 H new ATOM 0 HG2 PRO A 32 12.407 -16.343 2.635 1.00 42.31 H new ATOM 0 HG3 PRO A 32 13.469 -14.952 2.543 1.00 42.31 H new ATOM 0 HD2 PRO A 32 11.227 -15.742 0.659 1.00 10.31 H new ATOM 0 HD3 PRO A 32 11.600 -14.158 1.309 1.00 10.31 H new ATOM 521 N PRO A 33 15.248 -17.202 -1.899 1.00 4.11 N ATOM 522 CA PRO A 33 15.350 -18.086 -3.092 1.00 31.33 C ATOM 523 C PRO A 33 14.539 -19.399 -2.957 1.00 31.12 C ATOM 524 O PRO A 33 14.253 -20.054 -3.962 1.00 11.02 O ATOM 525 CB PRO A 33 16.878 -18.348 -3.217 1.00 55.53 C ATOM 526 CG PRO A 33 17.449 -18.044 -1.867 1.00 2.22 C ATOM 527 CD PRO A 33 16.601 -16.929 -1.315 1.00 52.02 C ATOM 0 HA PRO A 33 14.921 -17.622 -3.980 1.00 31.33 H new ATOM 0 HB2 PRO A 33 17.077 -19.381 -3.503 1.00 55.53 H new ATOM 0 HB3 PRO A 33 17.323 -17.713 -3.983 1.00 55.53 H new ATOM 0 HG2 PRO A 33 17.415 -18.920 -1.220 1.00 2.22 H new ATOM 0 HG3 PRO A 33 18.494 -17.743 -1.941 1.00 2.22 H new ATOM 0 HD2 PRO A 33 16.579 -16.942 -0.225 1.00 52.02 H new ATOM 0 HD3 PRO A 33 16.978 -15.951 -1.614 1.00 52.02 H new ATOM 535 N GLU A 34 14.158 -19.752 -1.716 1.00 1.32 N ATOM 536 CA GLU A 34 13.296 -20.910 -1.436 1.00 52.33 C ATOM 537 C GLU A 34 11.838 -20.577 -1.789 1.00 32.25 C ATOM 538 O GLU A 34 11.191 -21.303 -2.543 1.00 32.44 O ATOM 539 CB GLU A 34 13.404 -21.292 0.066 1.00 54.13 C ATOM 540 CG GLU A 34 14.840 -21.533 0.567 1.00 64.24 C ATOM 541 CD GLU A 34 15.580 -22.613 -0.238 1.00 61.33 C ATOM 542 OE1 GLU A 34 15.248 -23.808 -0.090 1.00 22.25 O ATOM 543 OE2 GLU A 34 16.501 -22.275 -1.013 1.00 70.23 O ATOM 0 H GLU A 34 14.440 -19.241 -0.880 1.00 1.32 H new ATOM 0 HA GLU A 34 13.622 -21.754 -2.044 1.00 52.33 H new ATOM 0 HB2 GLU A 34 12.954 -20.498 0.662 1.00 54.13 H new ATOM 0 HB3 GLU A 34 12.817 -22.193 0.241 1.00 54.13 H new ATOM 0 HG2 GLU A 34 15.400 -20.599 0.513 1.00 64.24 H new ATOM 0 HG3 GLU A 34 14.809 -21.826 1.616 1.00 64.24 H new ATOM 550 N GLU A 35 11.357 -19.444 -1.249 1.00 21.13 N ATOM 551 CA GLU A 35 9.969 -18.971 -1.417 1.00 4.12 C ATOM 552 C GLU A 35 9.631 -18.588 -2.860 1.00 33.11 C ATOM 553 O GLU A 35 8.467 -18.701 -3.267 1.00 34.43 O ATOM 554 CB GLU A 35 9.695 -17.773 -0.462 1.00 62.22 C ATOM 555 CG GLU A 35 9.345 -18.151 0.993 1.00 31.23 C ATOM 556 CD GLU A 35 10.302 -19.174 1.635 1.00 21.22 C ATOM 557 OE1 GLU A 35 11.502 -18.870 1.780 1.00 24.23 O ATOM 558 OE2 GLU A 35 9.854 -20.288 1.984 1.00 54.10 O ATOM 0 H GLU A 35 11.927 -18.822 -0.676 1.00 21.13 H new ATOM 0 HA GLU A 35 9.319 -19.807 -1.160 1.00 4.12 H new ATOM 0 HB2 GLU A 35 10.576 -17.131 -0.451 1.00 62.22 H new ATOM 0 HB3 GLU A 35 8.876 -17.183 -0.873 1.00 62.22 H new ATOM 0 HG2 GLU A 35 9.341 -17.245 1.600 1.00 31.23 H new ATOM 0 HG3 GLU A 35 8.333 -18.555 1.017 1.00 31.23 H new ATOM 565 N ARG A 36 10.615 -18.064 -3.606 1.00 72.13 N ATOM 566 CA ARG A 36 10.415 -17.644 -5.006 1.00 23.43 C ATOM 567 C ARG A 36 10.927 -18.666 -6.059 1.00 64.21 C ATOM 568 O ARG A 36 10.903 -18.359 -7.258 1.00 62.30 O ATOM 569 CB ARG A 36 11.057 -16.256 -5.220 1.00 24.12 C ATOM 570 CG ARG A 36 12.581 -16.220 -5.052 1.00 52.00 C ATOM 571 CD ARG A 36 13.153 -14.811 -5.270 1.00 20.23 C ATOM 572 NE ARG A 36 12.709 -14.187 -6.537 1.00 1.22 N ATOM 573 CZ ARG A 36 12.969 -14.637 -7.781 1.00 62.21 C ATOM 574 NH1 ARG A 36 13.692 -15.733 -7.994 1.00 32.43 N ATOM 575 NH2 ARG A 36 12.482 -13.986 -8.807 1.00 13.32 N ATOM 0 H ARG A 36 11.564 -17.919 -3.262 1.00 72.13 H new ATOM 0 HA ARG A 36 9.338 -17.591 -5.168 1.00 23.43 H new ATOM 0 HB2 ARG A 36 10.808 -15.906 -6.222 1.00 24.12 H new ATOM 0 HB3 ARG A 36 10.611 -15.553 -4.517 1.00 24.12 H new ATOM 0 HG2 ARG A 36 12.843 -16.567 -4.052 1.00 52.00 H new ATOM 0 HG3 ARG A 36 13.040 -16.911 -5.760 1.00 52.00 H new ATOM 0 HD2 ARG A 36 12.858 -14.174 -4.436 1.00 20.23 H new ATOM 0 HD3 ARG A 36 14.242 -14.863 -5.261 1.00 20.23 H new ATOM 0 HE ARG A 36 12.153 -13.335 -6.462 1.00 1.22 H new ATOM 0 HH11 ARG A 36 14.067 -16.258 -7.204 1.00 32.43 H new ATOM 0 HH12 ARG A 36 13.872 -16.048 -8.947 1.00 32.43 H new ATOM 0 HH21 ARG A 36 11.915 -13.151 -8.659 1.00 13.32 H new ATOM 0 HH22 ARG A 36 12.670 -14.314 -9.755 1.00 13.32 H new ATOM 589 N ASP A 37 11.451 -19.827 -5.609 1.00 41.35 N ATOM 590 CA ASP A 37 11.972 -20.915 -6.497 1.00 14.10 C ATOM 591 C ASP A 37 11.041 -21.246 -7.699 1.00 23.30 C ATOM 592 O ASP A 37 11.513 -21.436 -8.829 1.00 63.31 O ATOM 593 CB ASP A 37 12.261 -22.191 -5.667 1.00 54.32 C ATOM 594 CG ASP A 37 12.912 -23.315 -6.498 1.00 24.22 C ATOM 595 OD1 ASP A 37 14.113 -23.197 -6.844 1.00 12.11 O ATOM 596 OD2 ASP A 37 12.228 -24.304 -6.834 1.00 11.35 O ATOM 0 H ASP A 37 11.529 -20.047 -4.616 1.00 41.35 H new ATOM 0 HA ASP A 37 12.898 -20.537 -6.931 1.00 14.10 H new ATOM 0 HB2 ASP A 37 12.917 -21.936 -4.835 1.00 54.32 H new ATOM 0 HB3 ASP A 37 11.329 -22.557 -5.238 1.00 54.32 H new ATOM 601 N ASP A 38 9.726 -21.267 -7.450 1.00 1.11 N ATOM 602 CA ASP A 38 8.701 -21.557 -8.482 1.00 54.33 C ATOM 603 C ASP A 38 7.650 -20.420 -8.583 1.00 41.25 C ATOM 604 O ASP A 38 6.764 -20.471 -9.439 1.00 12.45 O ATOM 605 CB ASP A 38 8.029 -22.942 -8.226 1.00 11.30 C ATOM 606 CG ASP A 38 7.192 -23.009 -6.933 1.00 71.55 C ATOM 607 OD1 ASP A 38 5.994 -22.643 -6.972 1.00 73.42 O ATOM 608 OD2 ASP A 38 7.712 -23.450 -5.879 1.00 2.22 O ATOM 0 H ASP A 38 9.333 -21.084 -6.527 1.00 1.11 H new ATOM 0 HA ASP A 38 9.207 -21.607 -9.446 1.00 54.33 H new ATOM 0 HB2 ASP A 38 7.388 -23.184 -9.073 1.00 11.30 H new ATOM 0 HB3 ASP A 38 8.804 -23.707 -8.184 1.00 11.30 H new ATOM 613 N PHE A 39 7.753 -19.400 -7.708 1.00 35.50 N ATOM 614 CA PHE A 39 6.872 -18.204 -7.734 1.00 75.44 C ATOM 615 C PHE A 39 7.715 -16.948 -8.015 1.00 44.14 C ATOM 616 O PHE A 39 8.719 -16.740 -7.361 1.00 23.11 O ATOM 617 CB PHE A 39 6.140 -18.037 -6.368 1.00 21.22 C ATOM 618 CG PHE A 39 5.145 -19.156 -6.030 1.00 52.12 C ATOM 619 CD1 PHE A 39 4.060 -19.410 -6.868 1.00 4.32 C ATOM 620 CD2 PHE A 39 5.287 -19.943 -4.882 1.00 14.12 C ATOM 621 CE1 PHE A 39 3.151 -20.410 -6.579 1.00 54.21 C ATOM 622 CE2 PHE A 39 4.373 -20.942 -4.592 1.00 53.22 C ATOM 623 CZ PHE A 39 3.305 -21.176 -5.439 1.00 13.23 C ATOM 0 H PHE A 39 8.448 -19.377 -6.961 1.00 35.50 H new ATOM 0 HA PHE A 39 6.129 -18.335 -8.521 1.00 75.44 H new ATOM 0 HB2 PHE A 39 6.887 -17.982 -5.576 1.00 21.22 H new ATOM 0 HB3 PHE A 39 5.608 -17.086 -6.371 1.00 21.22 H new ATOM 0 HD1 PHE A 39 3.928 -18.814 -7.759 1.00 4.32 H new ATOM 0 HD2 PHE A 39 6.118 -19.769 -4.215 1.00 14.12 H new ATOM 0 HE1 PHE A 39 2.320 -20.593 -7.244 1.00 54.21 H new ATOM 0 HE2 PHE A 39 4.495 -21.541 -3.701 1.00 53.22 H new ATOM 0 HZ PHE A 39 2.593 -21.955 -5.210 1.00 13.23 H new ATOM 633 N ASP A 40 7.309 -16.102 -8.978 1.00 52.13 N ATOM 634 CA ASP A 40 7.979 -14.794 -9.203 1.00 51.01 C ATOM 635 C ASP A 40 7.624 -13.859 -8.024 1.00 73.04 C ATOM 636 O ASP A 40 6.548 -13.245 -7.993 1.00 33.24 O ATOM 637 CB ASP A 40 7.637 -14.188 -10.602 1.00 31.54 C ATOM 638 CG ASP A 40 6.138 -13.931 -10.877 1.00 42.10 C ATOM 639 OD1 ASP A 40 5.359 -14.905 -10.954 1.00 34.10 O ATOM 640 OD2 ASP A 40 5.733 -12.755 -11.055 1.00 63.40 O ATOM 0 H ASP A 40 6.531 -16.290 -9.610 1.00 52.13 H new ATOM 0 HA ASP A 40 9.060 -14.930 -9.225 1.00 51.01 H new ATOM 0 HB2 ASP A 40 8.173 -13.245 -10.709 1.00 31.54 H new ATOM 0 HB3 ASP A 40 8.018 -14.860 -11.371 1.00 31.54 H new ATOM 645 N GLY A 41 8.533 -13.831 -7.015 1.00 5.34 N ATOM 646 CA GLY A 41 8.212 -13.296 -5.694 1.00 75.32 C ATOM 647 C GLY A 41 7.931 -11.796 -5.681 1.00 43.14 C ATOM 648 O GLY A 41 8.852 -10.970 -5.725 1.00 23.25 O ATOM 0 H GLY A 41 9.489 -14.175 -7.105 1.00 5.34 H new ATOM 0 HA2 GLY A 41 7.341 -13.821 -5.303 1.00 75.32 H new ATOM 0 HA3 GLY A 41 9.041 -13.505 -5.018 1.00 75.32 H new ATOM 652 N LEU A 42 6.638 -11.486 -5.603 1.00 1.21 N ATOM 653 CA LEU A 42 6.100 -10.157 -5.341 1.00 15.12 C ATOM 654 C LEU A 42 4.688 -10.408 -4.781 1.00 42.14 C ATOM 655 O LEU A 42 3.703 -10.322 -5.518 1.00 1.33 O ATOM 656 CB LEU A 42 6.088 -9.285 -6.654 1.00 50.31 C ATOM 657 CG LEU A 42 6.181 -7.726 -6.496 1.00 65.12 C ATOM 658 CD1 LEU A 42 6.109 -7.026 -7.871 1.00 32.33 C ATOM 659 CD2 LEU A 42 5.123 -7.149 -5.525 1.00 51.43 C ATOM 0 H LEU A 42 5.907 -12.187 -5.726 1.00 1.21 H new ATOM 0 HA LEU A 42 6.705 -9.589 -4.634 1.00 15.12 H new ATOM 0 HB2 LEU A 42 6.920 -9.609 -7.279 1.00 50.31 H new ATOM 0 HB3 LEU A 42 5.172 -9.513 -7.199 1.00 50.31 H new ATOM 0 HG LEU A 42 7.153 -7.520 -6.048 1.00 65.12 H new ATOM 0 HD11 LEU A 42 6.176 -5.947 -7.734 1.00 32.33 H new ATOM 0 HD12 LEU A 42 6.936 -7.364 -8.495 1.00 32.33 H new ATOM 0 HD13 LEU A 42 5.164 -7.273 -8.356 1.00 32.33 H new ATOM 0 HD21 LEU A 42 5.241 -6.067 -5.460 1.00 51.43 H new ATOM 0 HD22 LEU A 42 4.124 -7.384 -5.894 1.00 51.43 H new ATOM 0 HD23 LEU A 42 5.258 -7.589 -4.537 1.00 51.43 H new ATOM 671 N SER A 43 4.613 -10.851 -3.516 1.00 72.30 N ATOM 672 CA SER A 43 3.345 -11.295 -2.913 1.00 60.31 C ATOM 673 C SER A 43 2.329 -10.140 -2.778 1.00 22.13 C ATOM 674 O SER A 43 2.563 -9.183 -2.028 1.00 31.44 O ATOM 675 CB SER A 43 3.618 -11.936 -1.532 1.00 51.12 C ATOM 676 OG SER A 43 4.547 -13.002 -1.643 1.00 42.31 O ATOM 0 H SER A 43 5.416 -10.911 -2.890 1.00 72.30 H new ATOM 0 HA SER A 43 2.902 -12.036 -3.579 1.00 60.31 H new ATOM 0 HB2 SER A 43 4.004 -11.182 -0.847 1.00 51.12 H new ATOM 0 HB3 SER A 43 2.684 -12.305 -1.107 1.00 51.12 H new ATOM 0 HG SER A 43 4.706 -13.391 -0.758 1.00 42.31 H new ATOM 682 N TYR A 44 1.209 -10.272 -3.516 1.00 63.11 N ATOM 683 CA TYR A 44 0.037 -9.389 -3.418 1.00 74.11 C ATOM 684 C TYR A 44 -1.199 -10.108 -4.007 1.00 63.04 C ATOM 685 O TYR A 44 -1.139 -11.303 -4.327 1.00 33.41 O ATOM 686 CB TYR A 44 0.292 -7.986 -4.076 1.00 64.42 C ATOM 687 CG TYR A 44 0.458 -7.929 -5.613 1.00 31.51 C ATOM 688 CD1 TYR A 44 1.677 -8.206 -6.226 1.00 74.55 C ATOM 689 CD2 TYR A 44 -0.604 -7.561 -6.443 1.00 52.23 C ATOM 690 CE1 TYR A 44 1.830 -8.128 -7.600 1.00 10.21 C ATOM 691 CE2 TYR A 44 -0.461 -7.479 -7.812 1.00 32.33 C ATOM 692 CZ TYR A 44 0.755 -7.766 -8.387 1.00 64.50 C ATOM 693 OH TYR A 44 0.898 -7.677 -9.750 1.00 71.34 O ATOM 0 H TYR A 44 1.095 -11.011 -4.210 1.00 63.11 H new ATOM 0 HA TYR A 44 -0.157 -9.180 -2.366 1.00 74.11 H new ATOM 0 HB2 TYR A 44 -0.537 -7.333 -3.804 1.00 64.42 H new ATOM 0 HB3 TYR A 44 1.191 -7.564 -3.626 1.00 64.42 H new ATOM 0 HD1 TYR A 44 2.522 -8.488 -5.616 1.00 74.55 H new ATOM 0 HD2 TYR A 44 -1.563 -7.335 -6.000 1.00 52.23 H new ATOM 0 HE1 TYR A 44 2.785 -8.349 -8.053 1.00 10.21 H new ATOM 0 HE2 TYR A 44 -1.299 -7.191 -8.429 1.00 32.33 H new ATOM 0 HH TYR A 44 0.544 -8.489 -10.170 1.00 71.34 H new ATOM 703 N PHE A 45 -2.309 -9.367 -4.141 1.00 51.24 N ATOM 704 CA PHE A 45 -3.627 -9.928 -4.522 1.00 22.41 C ATOM 705 C PHE A 45 -4.039 -9.303 -5.877 1.00 55.54 C ATOM 706 O PHE A 45 -3.476 -8.281 -6.273 1.00 30.20 O ATOM 707 CB PHE A 45 -4.688 -9.623 -3.416 1.00 14.42 C ATOM 708 CG PHE A 45 -4.228 -9.751 -1.947 1.00 14.10 C ATOM 709 CD1 PHE A 45 -3.386 -10.781 -1.524 1.00 13.41 C ATOM 710 CD2 PHE A 45 -4.673 -8.841 -0.983 1.00 72.12 C ATOM 711 CE1 PHE A 45 -3.010 -10.898 -0.200 1.00 73.41 C ATOM 712 CE2 PHE A 45 -4.295 -8.953 0.337 1.00 3.12 C ATOM 713 CZ PHE A 45 -3.464 -9.980 0.730 1.00 13.44 C ATOM 0 H PHE A 45 -2.325 -8.358 -3.989 1.00 51.24 H new ATOM 0 HA PHE A 45 -3.565 -11.012 -4.621 1.00 22.41 H new ATOM 0 HB2 PHE A 45 -5.054 -8.608 -3.569 1.00 14.42 H new ATOM 0 HB3 PHE A 45 -5.535 -10.293 -3.565 1.00 14.42 H new ATOM 0 HD1 PHE A 45 -3.022 -11.499 -2.244 1.00 13.41 H new ATOM 0 HD2 PHE A 45 -5.326 -8.034 -1.279 1.00 72.12 H new ATOM 0 HE1 PHE A 45 -2.362 -11.705 0.109 1.00 73.41 H new ATOM 0 HE2 PHE A 45 -4.650 -8.237 1.063 1.00 3.12 H new ATOM 0 HZ PHE A 45 -3.167 -10.068 1.765 1.00 13.44 H new ATOM 723 N ASP A 46 -5.014 -9.878 -6.597 1.00 13.12 N ATOM 724 CA ASP A 46 -5.367 -9.368 -7.949 1.00 73.53 C ATOM 725 C ASP A 46 -6.301 -8.137 -7.814 1.00 35.22 C ATOM 726 O ASP A 46 -7.264 -8.201 -7.045 1.00 21.33 O ATOM 727 CB ASP A 46 -6.003 -10.474 -8.851 1.00 12.25 C ATOM 728 CG ASP A 46 -7.471 -10.813 -8.513 1.00 65.34 C ATOM 729 OD1 ASP A 46 -7.706 -11.626 -7.599 1.00 44.22 O ATOM 730 OD2 ASP A 46 -8.398 -10.276 -9.171 1.00 63.42 O ATOM 0 H ASP A 46 -5.565 -10.677 -6.284 1.00 13.12 H new ATOM 0 HA ASP A 46 -4.447 -9.062 -8.448 1.00 73.53 H new ATOM 0 HB2 ASP A 46 -5.948 -10.152 -9.891 1.00 12.25 H new ATOM 0 HB3 ASP A 46 -5.405 -11.382 -8.766 1.00 12.25 H new ATOM 735 N PRO A 47 -6.000 -6.991 -8.522 1.00 62.24 N ATOM 736 CA PRO A 47 -6.874 -5.780 -8.529 1.00 62.32 C ATOM 737 C PRO A 47 -8.337 -6.126 -8.855 1.00 25.04 C ATOM 738 O PRO A 47 -8.667 -6.479 -9.995 1.00 40.22 O ATOM 739 CB PRO A 47 -6.241 -4.892 -9.631 1.00 41.14 C ATOM 740 CG PRO A 47 -4.800 -5.288 -9.648 1.00 62.13 C ATOM 741 CD PRO A 47 -4.775 -6.771 -9.339 1.00 65.20 C ATOM 0 HA PRO A 47 -6.919 -5.290 -7.557 1.00 62.32 H new ATOM 0 HB2 PRO A 47 -6.712 -5.065 -10.599 1.00 41.14 H new ATOM 0 HB3 PRO A 47 -6.359 -3.833 -9.404 1.00 41.14 H new ATOM 0 HG2 PRO A 47 -4.350 -5.083 -10.619 1.00 62.13 H new ATOM 0 HG3 PRO A 47 -4.231 -4.725 -8.908 1.00 62.13 H new ATOM 0 HD2 PRO A 47 -4.791 -7.369 -10.250 1.00 65.20 H new ATOM 0 HD3 PRO A 47 -3.875 -7.049 -8.791 1.00 65.20 H new ATOM 749 N ASP A 48 -9.195 -6.061 -7.836 1.00 4.31 N ATOM 750 CA ASP A 48 -10.568 -6.579 -7.915 1.00 45.34 C ATOM 751 C ASP A 48 -11.571 -5.451 -7.630 1.00 30.55 C ATOM 752 O ASP A 48 -11.487 -4.817 -6.572 1.00 51.23 O ATOM 753 CB ASP A 48 -10.736 -7.757 -6.904 1.00 45.01 C ATOM 754 CG ASP A 48 -12.026 -8.592 -7.036 1.00 21.30 C ATOM 755 OD1 ASP A 48 -12.834 -8.369 -7.956 1.00 41.11 O ATOM 756 OD2 ASP A 48 -12.224 -9.498 -6.208 1.00 35.01 O ATOM 0 H ASP A 48 -8.961 -5.649 -6.933 1.00 4.31 H new ATOM 0 HA ASP A 48 -10.765 -6.955 -8.919 1.00 45.34 H new ATOM 0 HB2 ASP A 48 -9.883 -8.426 -7.014 1.00 45.01 H new ATOM 0 HB3 ASP A 48 -10.694 -7.350 -5.894 1.00 45.01 H new ATOM 761 N PRO A 49 -12.549 -5.187 -8.573 1.00 72.32 N ATOM 762 CA PRO A 49 -13.667 -4.239 -8.337 1.00 71.21 C ATOM 763 C PRO A 49 -14.568 -4.617 -7.116 1.00 52.14 C ATOM 764 O PRO A 49 -15.286 -3.756 -6.592 1.00 4.21 O ATOM 765 CB PRO A 49 -14.457 -4.258 -9.678 1.00 60.43 C ATOM 766 CG PRO A 49 -14.027 -5.505 -10.384 1.00 60.51 C ATOM 767 CD PRO A 49 -12.604 -5.742 -9.962 1.00 51.13 C ATOM 0 HA PRO A 49 -13.300 -3.248 -8.071 1.00 71.21 H new ATOM 0 HB2 PRO A 49 -15.532 -4.261 -9.499 1.00 60.43 H new ATOM 0 HB3 PRO A 49 -14.235 -3.374 -10.275 1.00 60.43 H new ATOM 0 HG2 PRO A 49 -14.662 -6.348 -10.111 1.00 60.51 H new ATOM 0 HG3 PRO A 49 -14.100 -5.388 -11.465 1.00 60.51 H new ATOM 0 HD2 PRO A 49 -12.352 -6.802 -9.980 1.00 51.13 H new ATOM 0 HD3 PRO A 49 -11.901 -5.236 -10.623 1.00 51.13 H new ATOM 775 N ASP A 50 -14.495 -5.890 -6.668 1.00 21.33 N ATOM 776 CA ASP A 50 -15.265 -6.398 -5.501 1.00 3.31 C ATOM 777 C ASP A 50 -14.837 -5.699 -4.190 1.00 12.25 C ATOM 778 O ASP A 50 -15.682 -5.207 -3.431 1.00 31.50 O ATOM 779 CB ASP A 50 -15.097 -7.935 -5.384 1.00 50.53 C ATOM 780 CG ASP A 50 -15.862 -8.558 -4.204 1.00 72.32 C ATOM 781 OD1 ASP A 50 -17.067 -8.860 -4.352 1.00 30.33 O ATOM 782 OD2 ASP A 50 -15.265 -8.740 -3.119 1.00 12.51 O ATOM 0 H ASP A 50 -13.902 -6.597 -7.102 1.00 21.33 H new ATOM 0 HA ASP A 50 -16.318 -6.167 -5.663 1.00 3.31 H new ATOM 0 HB2 ASP A 50 -15.437 -8.399 -6.310 1.00 50.53 H new ATOM 0 HB3 ASP A 50 -14.037 -8.168 -5.281 1.00 50.53 H new ATOM 787 N TYR A 51 -13.515 -5.632 -3.957 1.00 61.23 N ATOM 788 CA TYR A 51 -12.930 -4.983 -2.750 1.00 23.31 C ATOM 789 C TYR A 51 -12.555 -3.520 -3.031 1.00 35.11 C ATOM 790 O TYR A 51 -11.872 -2.873 -2.221 1.00 71.53 O ATOM 791 CB TYR A 51 -11.695 -5.792 -2.236 1.00 31.14 C ATOM 792 CG TYR A 51 -12.016 -6.724 -1.062 1.00 35.23 C ATOM 793 CD1 TYR A 51 -12.312 -6.190 0.192 1.00 30.43 C ATOM 794 CD2 TYR A 51 -12.060 -8.111 -1.205 1.00 52.15 C ATOM 795 CE1 TYR A 51 -12.626 -6.999 1.256 1.00 52.10 C ATOM 796 CE2 TYR A 51 -12.378 -8.926 -0.140 1.00 42.31 C ATOM 797 CZ TYR A 51 -12.663 -8.369 1.088 1.00 4.43 C ATOM 798 OH TYR A 51 -12.980 -9.189 2.149 1.00 54.03 O ATOM 0 H TYR A 51 -12.817 -6.021 -4.591 1.00 61.23 H new ATOM 0 HA TYR A 51 -13.687 -4.982 -1.966 1.00 23.31 H new ATOM 0 HB2 TYR A 51 -11.291 -6.383 -3.058 1.00 31.14 H new ATOM 0 HB3 TYR A 51 -10.915 -5.094 -1.932 1.00 31.14 H new ATOM 0 HD1 TYR A 51 -12.294 -5.119 0.329 1.00 30.43 H new ATOM 0 HD2 TYR A 51 -11.841 -8.553 -2.166 1.00 52.15 H new ATOM 0 HE1 TYR A 51 -12.843 -6.565 2.221 1.00 52.10 H new ATOM 0 HE2 TYR A 51 -12.404 -9.998 -0.267 1.00 42.31 H new ATOM 0 HH TYR A 51 -13.417 -10.001 1.816 1.00 54.03 H new ATOM 808 N ARG A 52 -13.026 -3.005 -4.169 1.00 20.44 N ATOM 809 CA ARG A 52 -12.756 -1.642 -4.610 1.00 74.03 C ATOM 810 C ARG A 52 -13.829 -0.707 -4.031 1.00 73.52 C ATOM 811 O ARG A 52 -14.994 -0.750 -4.451 1.00 13.02 O ATOM 812 CB ARG A 52 -12.757 -1.612 -6.153 1.00 24.53 C ATOM 813 CG ARG A 52 -12.182 -0.349 -6.797 1.00 5.41 C ATOM 814 CD ARG A 52 -12.337 -0.340 -8.331 1.00 75.41 C ATOM 815 NE ARG A 52 -13.738 -0.135 -8.750 1.00 53.42 N ATOM 816 CZ ARG A 52 -14.251 -0.395 -9.968 1.00 75.04 C ATOM 817 NH1 ARG A 52 -13.497 -0.894 -10.941 1.00 2.44 N ATOM 818 NH2 ARG A 52 -15.529 -0.137 -10.197 1.00 12.43 N ATOM 0 H ARG A 52 -13.613 -3.533 -4.816 1.00 20.44 H new ATOM 0 HA ARG A 52 -11.782 -1.304 -4.257 1.00 74.03 H new ATOM 0 HB2 ARG A 52 -12.191 -2.471 -6.514 1.00 24.53 H new ATOM 0 HB3 ARG A 52 -13.783 -1.738 -6.499 1.00 24.53 H new ATOM 0 HG2 ARG A 52 -12.681 0.526 -6.380 1.00 5.41 H new ATOM 0 HG3 ARG A 52 -11.126 -0.265 -6.542 1.00 5.41 H new ATOM 0 HD2 ARG A 52 -11.715 0.449 -8.753 1.00 75.41 H new ATOM 0 HD3 ARG A 52 -11.973 -1.284 -8.737 1.00 75.41 H new ATOM 0 HE ARG A 52 -14.379 0.239 -8.050 1.00 53.42 H new ATOM 0 HH11 ARG A 52 -12.510 -1.088 -10.773 1.00 2.44 H new ATOM 0 HH12 ARG A 52 -13.905 -1.084 -11.856 1.00 2.44 H new ATOM 0 HH21 ARG A 52 -16.111 0.253 -9.456 1.00 12.43 H new ATOM 0 HH22 ARG A 52 -15.932 -0.329 -11.114 1.00 12.43 H new ATOM 832 N VAL A 53 -13.433 0.109 -3.053 1.00 21.04 N ATOM 833 CA VAL A 53 -14.311 1.088 -2.397 1.00 71.54 C ATOM 834 C VAL A 53 -13.794 2.496 -2.743 1.00 2.10 C ATOM 835 O VAL A 53 -12.681 2.639 -3.267 1.00 20.12 O ATOM 836 CB VAL A 53 -14.360 0.871 -0.828 1.00 4.01 C ATOM 837 CG1 VAL A 53 -14.776 -0.586 -0.472 1.00 21.10 C ATOM 838 CG2 VAL A 53 -13.025 1.256 -0.141 1.00 63.23 C ATOM 0 H VAL A 53 -12.481 0.111 -2.687 1.00 21.04 H new ATOM 0 HA VAL A 53 -15.332 0.962 -2.758 1.00 71.54 H new ATOM 0 HB VAL A 53 -15.124 1.544 -0.439 1.00 4.01 H new ATOM 0 HG11 VAL A 53 -14.800 -0.703 0.611 1.00 21.10 H new ATOM 0 HG12 VAL A 53 -15.765 -0.792 -0.882 1.00 21.10 H new ATOM 0 HG13 VAL A 53 -14.055 -1.284 -0.896 1.00 21.10 H new ATOM 0 HG21 VAL A 53 -13.107 1.090 0.933 1.00 63.23 H new ATOM 0 HG22 VAL A 53 -12.219 0.642 -0.542 1.00 63.23 H new ATOM 0 HG23 VAL A 53 -12.808 2.307 -0.330 1.00 63.23 H new ATOM 848 N GLU A 54 -14.599 3.527 -2.483 1.00 34.42 N ATOM 849 CA GLU A 54 -14.182 4.928 -2.692 1.00 0.31 C ATOM 850 C GLU A 54 -13.835 5.581 -1.342 1.00 12.24 C ATOM 851 O GLU A 54 -14.382 5.191 -0.304 1.00 71.41 O ATOM 852 CB GLU A 54 -15.297 5.715 -3.429 1.00 2.23 C ATOM 853 CG GLU A 54 -16.652 5.791 -2.700 1.00 5.03 C ATOM 854 CD GLU A 54 -17.707 6.597 -3.481 1.00 54.55 C ATOM 855 OE1 GLU A 54 -17.733 7.840 -3.363 1.00 24.23 O ATOM 856 OE2 GLU A 54 -18.512 5.990 -4.221 1.00 60.13 O ATOM 0 H GLU A 54 -15.549 3.425 -2.126 1.00 34.42 H new ATOM 0 HA GLU A 54 -13.289 4.948 -3.317 1.00 0.31 H new ATOM 0 HB2 GLU A 54 -14.943 6.730 -3.607 1.00 2.23 H new ATOM 0 HB3 GLU A 54 -15.455 5.257 -4.405 1.00 2.23 H new ATOM 0 HG2 GLU A 54 -17.025 4.781 -2.531 1.00 5.03 H new ATOM 0 HG3 GLU A 54 -16.507 6.245 -1.720 1.00 5.03 H new ATOM 863 N ALA A 55 -12.921 6.564 -1.370 1.00 63.23 N ATOM 864 CA ALA A 55 -12.465 7.303 -0.178 1.00 63.51 C ATOM 865 C ALA A 55 -12.171 8.757 -0.557 1.00 33.44 C ATOM 866 O ALA A 55 -11.772 9.035 -1.686 1.00 1.41 O ATOM 867 CB ALA A 55 -11.211 6.649 0.426 1.00 44.15 C ATOM 0 H ALA A 55 -12.471 6.873 -2.232 1.00 63.23 H new ATOM 0 HA ALA A 55 -13.255 7.277 0.572 1.00 63.51 H new ATOM 0 HB1 ALA A 55 -10.894 7.212 1.304 1.00 44.15 H new ATOM 0 HB2 ALA A 55 -11.439 5.623 0.716 1.00 44.15 H new ATOM 0 HB3 ALA A 55 -10.410 6.647 -0.313 1.00 44.15 H new ATOM 873 N THR A 56 -12.384 9.685 0.382 1.00 64.44 N ATOM 874 CA THR A 56 -12.044 11.100 0.188 1.00 72.15 C ATOM 875 C THR A 56 -10.702 11.400 0.891 1.00 21.02 C ATOM 876 O THR A 56 -10.482 10.984 2.035 1.00 31.22 O ATOM 877 CB THR A 56 -13.181 12.029 0.724 1.00 13.33 C ATOM 878 OG1 THR A 56 -14.450 11.549 0.257 1.00 31.42 O ATOM 879 CG2 THR A 56 -13.013 13.488 0.261 1.00 31.42 C ATOM 0 H THR A 56 -12.794 9.479 1.293 1.00 64.44 H new ATOM 0 HA THR A 56 -11.941 11.301 -0.878 1.00 72.15 H new ATOM 0 HB THR A 56 -13.127 12.008 1.812 1.00 13.33 H new ATOM 0 HG1 THR A 56 -15.164 12.130 0.594 1.00 31.42 H new ATOM 0 HG21 THR A 56 -13.828 14.092 0.660 1.00 31.42 H new ATOM 0 HG22 THR A 56 -12.061 13.877 0.623 1.00 31.42 H new ATOM 0 HG23 THR A 56 -13.031 13.528 -0.828 1.00 31.42 H new ATOM 887 N VAL A 57 -9.823 12.112 0.182 1.00 20.43 N ATOM 888 CA VAL A 57 -8.461 12.440 0.630 1.00 33.33 C ATOM 889 C VAL A 57 -8.505 13.553 1.695 1.00 31.13 C ATOM 890 O VAL A 57 -9.250 14.521 1.545 1.00 13.41 O ATOM 891 CB VAL A 57 -7.592 12.914 -0.604 1.00 50.10 C ATOM 892 CG1 VAL A 57 -6.120 13.168 -0.216 1.00 70.55 C ATOM 893 CG2 VAL A 57 -7.690 11.906 -1.771 1.00 74.43 C ATOM 0 H VAL A 57 -10.040 12.487 -0.741 1.00 20.43 H new ATOM 0 HA VAL A 57 -8.010 11.550 1.068 1.00 33.33 H new ATOM 0 HB VAL A 57 -8.004 13.866 -0.938 1.00 50.10 H new ATOM 0 HG11 VAL A 57 -5.563 13.491 -1.095 1.00 70.55 H new ATOM 0 HG12 VAL A 57 -6.074 13.944 0.549 1.00 70.55 H new ATOM 0 HG13 VAL A 57 -5.682 12.249 0.173 1.00 70.55 H new ATOM 0 HG21 VAL A 57 -7.083 12.256 -2.606 1.00 74.43 H new ATOM 0 HG22 VAL A 57 -7.327 10.932 -1.442 1.00 74.43 H new ATOM 0 HG23 VAL A 57 -8.729 11.818 -2.089 1.00 74.43 H new ATOM 903 N THR A 58 -7.720 13.388 2.770 1.00 71.42 N ATOM 904 CA THR A 58 -7.578 14.375 3.847 1.00 11.34 C ATOM 905 C THR A 58 -6.084 14.701 4.009 1.00 50.32 C ATOM 906 O THR A 58 -5.371 14.017 4.748 1.00 22.43 O ATOM 907 CB THR A 58 -8.161 13.826 5.197 1.00 33.11 C ATOM 908 OG1 THR A 58 -9.500 13.349 5.008 1.00 11.01 O ATOM 909 CG2 THR A 58 -8.152 14.891 6.301 1.00 63.12 C ATOM 0 H THR A 58 -7.157 12.550 2.916 1.00 71.42 H new ATOM 0 HA THR A 58 -8.137 15.275 3.590 1.00 11.34 H new ATOM 0 HB THR A 58 -7.518 13.004 5.512 1.00 33.11 H new ATOM 0 HG1 THR A 58 -9.849 13.008 5.858 1.00 11.01 H new ATOM 0 HG21 THR A 58 -8.564 14.468 7.218 1.00 63.12 H new ATOM 0 HG22 THR A 58 -7.129 15.220 6.481 1.00 63.12 H new ATOM 0 HG23 THR A 58 -8.757 15.742 5.990 1.00 63.12 H new ATOM 917 N VAL A 59 -5.617 15.743 3.311 1.00 74.24 N ATOM 918 CA VAL A 59 -4.190 16.096 3.280 1.00 3.43 C ATOM 919 C VAL A 59 -3.850 16.887 4.545 1.00 32.10 C ATOM 920 O VAL A 59 -4.540 17.843 4.876 1.00 4.41 O ATOM 921 CB VAL A 59 -3.813 16.909 1.982 1.00 42.12 C ATOM 922 CG1 VAL A 59 -2.369 17.472 2.045 1.00 0.44 C ATOM 923 CG2 VAL A 59 -3.990 16.019 0.736 1.00 73.13 C ATOM 0 H VAL A 59 -6.210 16.361 2.756 1.00 74.24 H new ATOM 0 HA VAL A 59 -3.601 15.179 3.251 1.00 3.43 H new ATOM 0 HB VAL A 59 -4.488 17.763 1.917 1.00 42.12 H new ATOM 0 HG11 VAL A 59 -2.154 18.024 1.130 1.00 0.44 H new ATOM 0 HG12 VAL A 59 -2.276 18.139 2.902 1.00 0.44 H new ATOM 0 HG13 VAL A 59 -1.662 16.649 2.147 1.00 0.44 H new ATOM 0 HG21 VAL A 59 -3.728 16.587 -0.157 1.00 73.13 H new ATOM 0 HG22 VAL A 59 -3.340 15.148 0.816 1.00 73.13 H new ATOM 0 HG23 VAL A 59 -5.028 15.692 0.667 1.00 73.13 H new ATOM 933 N HIS A 60 -2.811 16.439 5.261 1.00 13.33 N ATOM 934 CA HIS A 60 -2.316 17.087 6.477 1.00 71.11 C ATOM 935 C HIS A 60 -1.312 18.177 6.105 1.00 31.52 C ATOM 936 O HIS A 60 -0.297 17.899 5.459 1.00 11.23 O ATOM 937 CB HIS A 60 -1.698 16.026 7.425 1.00 72.44 C ATOM 938 CG HIS A 60 -2.764 15.162 8.047 1.00 63.32 C ATOM 939 ND1 HIS A 60 -3.418 15.277 9.227 1.00 1.25 N flip ATOM 940 CD2 HIS A 60 -3.365 14.107 7.385 1.00 51.12 C flip ATOM 941 CE1 HIS A 60 -4.402 14.325 9.247 1.00 23.11 C flip ATOM 942 NE2 HIS A 60 -4.341 13.628 8.132 1.00 70.31 N flip ATOM 0 H HIS A 60 -2.284 15.604 5.006 1.00 13.33 H new ATOM 0 HA HIS A 60 -3.140 17.562 7.009 1.00 71.11 H new ATOM 0 HB2 HIS A 60 -0.999 15.401 6.869 1.00 72.44 H new ATOM 0 HB3 HIS A 60 -1.127 16.524 8.209 1.00 72.44 H new ATOM 0 HD2 HIS A 60 -3.081 13.735 6.412 1.00 51.12 H new ATOM 0 HE1 HIS A 60 -5.112 14.171 10.046 1.00 23.11 H new ATOM 0 HE2 HIS A 60 -4.948 12.846 7.886 1.00 70.31 H new ATOM 951 N GLU A 61 -1.631 19.414 6.521 1.00 15.22 N ATOM 952 CA GLU A 61 -0.819 20.611 6.252 1.00 14.24 C ATOM 953 C GLU A 61 0.499 20.538 7.043 1.00 64.31 C ATOM 954 O GLU A 61 1.529 21.059 6.608 1.00 55.12 O ATOM 955 CB GLU A 61 -1.629 21.896 6.603 1.00 43.42 C ATOM 956 CG GLU A 61 -2.019 22.031 8.094 1.00 4.10 C ATOM 957 CD GLU A 61 -2.929 23.238 8.378 1.00 22.54 C ATOM 958 OE1 GLU A 61 -2.411 24.372 8.467 1.00 64.15 O ATOM 959 OE2 GLU A 61 -4.167 23.058 8.505 1.00 72.33 O ATOM 0 H GLU A 61 -2.473 19.613 7.062 1.00 15.22 H new ATOM 0 HA GLU A 61 -0.572 20.653 5.191 1.00 14.24 H new ATOM 0 HB2 GLU A 61 -1.042 22.768 6.315 1.00 43.42 H new ATOM 0 HB3 GLU A 61 -2.538 21.911 6.002 1.00 43.42 H new ATOM 0 HG2 GLU A 61 -2.525 21.120 8.414 1.00 4.10 H new ATOM 0 HG3 GLU A 61 -1.113 22.119 8.693 1.00 4.10 H new ATOM 966 N THR A 62 0.448 19.855 8.198 1.00 13.33 N ATOM 967 CA THR A 62 1.601 19.576 9.043 1.00 53.01 C ATOM 968 C THR A 62 1.791 18.043 9.094 1.00 62.22 C ATOM 969 O THR A 62 1.017 17.346 9.765 1.00 25.05 O ATOM 970 CB THR A 62 1.395 20.189 10.478 1.00 53.21 C ATOM 971 OG1 THR A 62 0.149 19.739 11.042 1.00 52.21 O ATOM 972 CG2 THR A 62 1.399 21.730 10.448 1.00 31.41 C ATOM 0 H THR A 62 -0.422 19.476 8.572 1.00 13.33 H new ATOM 0 HA THR A 62 2.499 20.038 8.633 1.00 53.01 H new ATOM 0 HB THR A 62 2.229 19.850 11.093 1.00 53.21 H new ATOM 0 HG1 THR A 62 0.060 18.772 10.909 1.00 52.21 H new ATOM 0 HG21 THR A 62 1.254 22.114 11.458 1.00 31.41 H new ATOM 0 HG22 THR A 62 2.354 22.084 10.059 1.00 31.41 H new ATOM 0 HG23 THR A 62 0.592 22.084 9.806 1.00 31.41 H new ATOM 980 N PRO A 63 2.760 17.476 8.303 1.00 23.41 N ATOM 981 CA PRO A 63 3.060 16.028 8.325 1.00 43.21 C ATOM 982 C PRO A 63 3.918 15.628 9.544 1.00 55.03 C ATOM 983 O PRO A 63 4.815 16.377 9.947 1.00 21.12 O ATOM 984 CB PRO A 63 3.831 15.824 7.000 1.00 50.01 C ATOM 985 CG PRO A 63 4.542 17.118 6.768 1.00 15.20 C ATOM 986 CD PRO A 63 3.614 18.192 7.302 1.00 31.54 C ATOM 0 HA PRO A 63 2.166 15.411 8.411 1.00 43.21 H new ATOM 0 HB2 PRO A 63 4.534 14.994 7.075 1.00 50.01 H new ATOM 0 HB3 PRO A 63 3.152 15.593 6.179 1.00 50.01 H new ATOM 0 HG2 PRO A 63 5.502 17.136 7.284 1.00 15.20 H new ATOM 0 HG3 PRO A 63 4.747 17.268 5.708 1.00 15.20 H new ATOM 0 HD2 PRO A 63 4.172 19.006 7.765 1.00 31.54 H new ATOM 0 HD3 PRO A 63 3.012 18.630 6.506 1.00 31.54 H new ATOM 994 N GLU A 64 3.620 14.468 10.147 1.00 11.02 N ATOM 995 CA GLU A 64 4.423 13.913 11.257 1.00 63.11 C ATOM 996 C GLU A 64 5.377 12.812 10.754 1.00 13.51 C ATOM 997 O GLU A 64 5.198 12.276 9.654 1.00 12.30 O ATOM 998 CB GLU A 64 3.492 13.375 12.375 1.00 34.00 C ATOM 999 CG GLU A 64 2.507 12.273 11.939 1.00 41.43 C ATOM 1000 CD GLU A 64 1.697 11.710 13.112 1.00 42.24 C ATOM 1001 OE1 GLU A 64 0.690 12.344 13.514 1.00 73.24 O ATOM 1002 OE2 GLU A 64 2.074 10.649 13.663 1.00 62.23 O ATOM 0 H GLU A 64 2.823 13.888 9.885 1.00 11.02 H new ATOM 0 HA GLU A 64 5.035 14.713 11.673 1.00 63.11 H new ATOM 0 HB2 GLU A 64 4.110 12.987 13.184 1.00 34.00 H new ATOM 0 HB3 GLU A 64 2.921 14.209 12.782 1.00 34.00 H new ATOM 0 HG2 GLU A 64 1.824 12.676 11.191 1.00 41.43 H new ATOM 0 HG3 GLU A 64 3.060 11.464 11.463 1.00 41.43 H new ATOM 1009 N SER A 65 6.384 12.490 11.582 1.00 62.34 N ATOM 1010 CA SER A 65 7.412 11.489 11.271 1.00 23.34 C ATOM 1011 C SER A 65 6.965 10.098 11.761 1.00 62.35 C ATOM 1012 O SER A 65 6.846 9.857 12.970 1.00 62.50 O ATOM 1013 CB SER A 65 8.752 11.915 11.917 1.00 4.01 C ATOM 1014 OG SER A 65 8.588 12.317 13.271 1.00 23.52 O ATOM 0 H SER A 65 6.507 12.924 12.497 1.00 62.34 H new ATOM 0 HA SER A 65 7.554 11.427 10.192 1.00 23.34 H new ATOM 0 HB2 SER A 65 9.458 11.086 11.868 1.00 4.01 H new ATOM 0 HB3 SER A 65 9.185 12.736 11.345 1.00 4.01 H new ATOM 0 HG SER A 65 7.983 11.695 13.726 1.00 23.52 H new ATOM 1020 N VAL A 66 6.678 9.209 10.795 1.00 31.04 N ATOM 1021 CA VAL A 66 6.246 7.830 11.046 1.00 12.34 C ATOM 1022 C VAL A 66 7.324 6.866 10.506 1.00 0.14 C ATOM 1023 O VAL A 66 7.629 6.880 9.308 1.00 73.11 O ATOM 1024 CB VAL A 66 4.853 7.545 10.358 1.00 30.15 C ATOM 1025 CG1 VAL A 66 4.303 6.145 10.727 1.00 73.22 C ATOM 1026 CG2 VAL A 66 3.827 8.663 10.690 1.00 42.21 C ATOM 0 H VAL A 66 6.742 9.436 9.803 1.00 31.04 H new ATOM 0 HA VAL A 66 6.122 7.678 12.118 1.00 12.34 H new ATOM 0 HB VAL A 66 5.015 7.550 9.280 1.00 30.15 H new ATOM 0 HG11 VAL A 66 3.344 5.989 10.233 1.00 73.22 H new ATOM 0 HG12 VAL A 66 5.008 5.380 10.401 1.00 73.22 H new ATOM 0 HG13 VAL A 66 4.170 6.079 11.807 1.00 73.22 H new ATOM 0 HG21 VAL A 66 2.877 8.441 10.204 1.00 42.21 H new ATOM 0 HG22 VAL A 66 3.679 8.713 11.769 1.00 42.21 H new ATOM 0 HG23 VAL A 66 4.204 9.621 10.331 1.00 42.21 H new ATOM 1036 N ASP A 67 7.897 6.044 11.400 1.00 42.35 N ATOM 1037 CA ASP A 67 8.997 5.115 11.071 1.00 40.12 C ATOM 1038 C ASP A 67 8.435 3.869 10.377 1.00 25.54 C ATOM 1039 O ASP A 67 7.739 3.070 11.011 1.00 21.03 O ATOM 1040 CB ASP A 67 9.756 4.700 12.361 1.00 11.01 C ATOM 1041 CG ASP A 67 10.325 5.896 13.139 1.00 54.10 C ATOM 1042 OD1 ASP A 67 9.559 6.530 13.904 1.00 22.02 O ATOM 1043 OD2 ASP A 67 11.535 6.209 12.992 1.00 31.12 O ATOM 0 H ASP A 67 7.610 6.003 12.378 1.00 42.35 H new ATOM 0 HA ASP A 67 9.693 5.619 10.400 1.00 40.12 H new ATOM 0 HB2 ASP A 67 9.080 4.142 13.009 1.00 11.01 H new ATOM 0 HB3 ASP A 67 10.571 4.027 12.095 1.00 11.01 H new ATOM 1048 N LEU A 68 8.715 3.727 9.071 1.00 44.25 N ATOM 1049 CA LEU A 68 8.307 2.554 8.250 1.00 40.34 C ATOM 1050 C LEU A 68 9.581 1.936 7.613 1.00 44.00 C ATOM 1051 O LEU A 68 10.690 2.397 7.902 1.00 41.32 O ATOM 1052 CB LEU A 68 7.262 2.980 7.165 1.00 31.31 C ATOM 1053 CG LEU A 68 6.036 3.813 7.682 1.00 74.42 C ATOM 1054 CD1 LEU A 68 5.109 4.249 6.535 1.00 13.10 C ATOM 1055 CD2 LEU A 68 5.228 3.056 8.768 1.00 40.05 C ATOM 0 H LEU A 68 9.236 4.426 8.541 1.00 44.25 H new ATOM 0 HA LEU A 68 7.823 1.804 8.875 1.00 40.34 H new ATOM 0 HB2 LEU A 68 7.777 3.564 6.402 1.00 31.31 H new ATOM 0 HB3 LEU A 68 6.886 2.080 6.678 1.00 31.31 H new ATOM 0 HG LEU A 68 6.454 4.710 8.139 1.00 74.42 H new ATOM 0 HD11 LEU A 68 4.275 4.822 6.939 1.00 13.10 H new ATOM 0 HD12 LEU A 68 5.667 4.867 5.831 1.00 13.10 H new ATOM 0 HD13 LEU A 68 4.727 3.367 6.020 1.00 13.10 H new ATOM 0 HD21 LEU A 68 4.390 3.673 9.094 1.00 40.05 H new ATOM 0 HD22 LEU A 68 4.851 2.121 8.355 1.00 40.05 H new ATOM 0 HD23 LEU A 68 5.874 2.842 9.619 1.00 40.05 H new ATOM 1067 N GLU A 69 9.443 0.876 6.790 1.00 62.05 N ATOM 1068 CA GLU A 69 10.600 0.264 6.083 1.00 11.54 C ATOM 1069 C GLU A 69 10.534 0.530 4.574 1.00 63.43 C ATOM 1070 O GLU A 69 9.470 0.872 4.029 1.00 31.20 O ATOM 1071 CB GLU A 69 10.700 -1.266 6.351 1.00 24.05 C ATOM 1072 CG GLU A 69 9.614 -2.154 5.685 1.00 63.12 C ATOM 1073 CD GLU A 69 9.848 -3.672 5.891 1.00 51.14 C ATOM 1074 OE1 GLU A 69 10.942 -4.150 5.565 1.00 24.13 O ATOM 1075 OE2 GLU A 69 8.940 -4.391 6.359 1.00 32.23 O ATOM 0 H GLU A 69 8.549 0.424 6.596 1.00 62.05 H new ATOM 0 HA GLU A 69 11.498 0.736 6.482 1.00 11.54 H new ATOM 0 HB2 GLU A 69 11.678 -1.609 6.012 1.00 24.05 H new ATOM 0 HB3 GLU A 69 10.661 -1.428 7.428 1.00 24.05 H new ATOM 0 HG2 GLU A 69 8.638 -1.886 6.090 1.00 63.12 H new ATOM 0 HG3 GLU A 69 9.586 -1.940 4.617 1.00 63.12 H new ATOM 1082 N THR A 70 11.700 0.397 3.924 1.00 41.12 N ATOM 1083 CA THR A 70 11.850 0.504 2.464 1.00 52.32 C ATOM 1084 C THR A 70 12.466 -0.803 1.907 1.00 2.03 C ATOM 1085 O THR A 70 12.696 -1.750 2.662 1.00 14.25 O ATOM 1086 CB THR A 70 12.736 1.747 2.107 1.00 31.21 C ATOM 1087 OG1 THR A 70 12.708 1.986 0.697 1.00 74.34 O ATOM 1088 CG2 THR A 70 14.202 1.590 2.576 1.00 13.15 C ATOM 0 H THR A 70 12.579 0.209 4.405 1.00 41.12 H new ATOM 0 HA THR A 70 10.872 0.645 2.004 1.00 52.32 H new ATOM 0 HB THR A 70 12.311 2.598 2.639 1.00 31.21 H new ATOM 0 HG1 THR A 70 13.263 2.765 0.486 1.00 74.34 H new ATOM 0 HG21 THR A 70 14.769 2.480 2.302 1.00 13.15 H new ATOM 0 HG22 THR A 70 14.226 1.463 3.658 1.00 13.15 H new ATOM 0 HG23 THR A 70 14.645 0.716 2.098 1.00 13.15 H new ATOM 1096 N SER A 71 12.756 -0.836 0.591 1.00 23.03 N ATOM 1097 CA SER A 71 13.326 -2.013 -0.101 1.00 74.33 C ATOM 1098 C SER A 71 14.872 -2.029 -0.045 1.00 11.31 C ATOM 1099 O SER A 71 15.504 -2.829 -0.728 1.00 33.10 O ATOM 1100 CB SER A 71 12.832 -2.000 -1.566 1.00 44.31 C ATOM 1101 OG SER A 71 13.108 -0.754 -2.189 1.00 43.01 O ATOM 0 H SER A 71 12.600 -0.040 -0.028 1.00 23.03 H new ATOM 0 HA SER A 71 12.990 -2.918 0.405 1.00 74.33 H new ATOM 0 HB2 SER A 71 13.315 -2.803 -2.123 1.00 44.31 H new ATOM 0 HB3 SER A 71 11.760 -2.194 -1.593 1.00 44.31 H new ATOM 0 HG SER A 71 12.474 -0.607 -2.922 1.00 43.01 H new ATOM 1107 N ASP A 72 15.471 -1.232 0.855 1.00 64.41 N ATOM 1108 CA ASP A 72 16.917 -0.906 0.813 1.00 2.14 C ATOM 1109 C ASP A 72 17.559 -1.098 2.195 1.00 44.22 C ATOM 1110 O ASP A 72 18.393 -0.297 2.632 1.00 14.15 O ATOM 1111 CB ASP A 72 17.137 0.530 0.236 1.00 22.00 C ATOM 1112 CG ASP A 72 16.962 0.590 -1.295 1.00 31.50 C ATOM 1113 OD1 ASP A 72 15.811 0.683 -1.777 1.00 44.44 O ATOM 1114 OD2 ASP A 72 17.973 0.514 -2.028 1.00 62.13 O ATOM 0 H ASP A 72 14.974 -0.794 1.631 1.00 64.41 H new ATOM 0 HA ASP A 72 17.420 -1.599 0.138 1.00 2.14 H new ATOM 0 HB2 ASP A 72 16.433 1.217 0.705 1.00 22.00 H new ATOM 0 HB3 ASP A 72 18.138 0.872 0.497 1.00 22.00 H new ATOM 1119 N ASP A 73 17.148 -2.205 2.858 1.00 50.41 N ATOM 1120 CA ASP A 73 17.703 -2.729 4.145 1.00 54.31 C ATOM 1121 C ASP A 73 17.505 -1.803 5.369 1.00 62.15 C ATOM 1122 O ASP A 73 17.754 -2.226 6.503 1.00 12.30 O ATOM 1123 CB ASP A 73 19.215 -3.090 4.016 1.00 31.34 C ATOM 1124 CG ASP A 73 19.542 -4.000 2.821 1.00 21.01 C ATOM 1125 OD1 ASP A 73 18.950 -5.094 2.707 1.00 73.15 O ATOM 1126 OD2 ASP A 73 20.403 -3.626 1.991 1.00 44.32 O ATOM 0 H ASP A 73 16.390 -2.787 2.502 1.00 50.41 H new ATOM 0 HA ASP A 73 17.114 -3.626 4.335 1.00 54.31 H new ATOM 0 HB2 ASP A 73 19.791 -2.169 3.926 1.00 31.34 H new ATOM 0 HB3 ASP A 73 19.540 -3.581 4.933 1.00 31.34 H new ATOM 1131 N ARG A 74 17.028 -0.567 5.158 1.00 4.34 N ATOM 1132 CA ARG A 74 17.092 0.503 6.171 1.00 70.42 C ATOM 1133 C ARG A 74 15.686 0.791 6.765 1.00 74.43 C ATOM 1134 O ARG A 74 14.663 0.375 6.196 1.00 31.15 O ATOM 1135 CB ARG A 74 17.720 1.785 5.512 1.00 65.03 C ATOM 1136 CG ARG A 74 18.235 2.854 6.501 1.00 4.51 C ATOM 1137 CD ARG A 74 18.829 4.098 5.801 1.00 13.40 C ATOM 1138 NE ARG A 74 19.999 3.784 4.952 1.00 20.53 N ATOM 1139 CZ ARG A 74 20.588 4.637 4.086 1.00 24.44 C ATOM 1140 NH1 ARG A 74 20.133 5.881 3.925 1.00 62.40 N ATOM 1141 NH2 ARG A 74 21.626 4.221 3.371 1.00 54.24 N ATOM 0 H ARG A 74 16.588 -0.279 4.284 1.00 4.34 H new ATOM 0 HA ARG A 74 17.723 0.187 7.002 1.00 70.42 H new ATOM 0 HB2 ARG A 74 18.548 1.476 4.874 1.00 65.03 H new ATOM 0 HB3 ARG A 74 16.972 2.243 4.865 1.00 65.03 H new ATOM 0 HG2 ARG A 74 17.415 3.166 7.147 1.00 4.51 H new ATOM 0 HG3 ARG A 74 18.995 2.409 7.143 1.00 4.51 H new ATOM 0 HD2 ARG A 74 18.058 4.565 5.188 1.00 13.40 H new ATOM 0 HD3 ARG A 74 19.121 4.827 6.556 1.00 13.40 H new ATOM 0 HE ARG A 74 20.393 2.846 5.027 1.00 20.53 H new ATOM 0 HH11 ARG A 74 19.327 6.203 4.461 1.00 62.40 H new ATOM 0 HH12 ARG A 74 20.591 6.510 3.266 1.00 62.40 H new ATOM 0 HH21 ARG A 74 21.970 3.267 3.479 1.00 54.24 H new ATOM 0 HH22 ARG A 74 22.080 4.855 2.714 1.00 54.24 H new ATOM 1155 N THR A 75 15.665 1.546 7.879 1.00 61.53 N ATOM 1156 CA THR A 75 14.440 1.992 8.556 1.00 25.11 C ATOM 1157 C THR A 75 14.326 3.486 8.267 1.00 25.41 C ATOM 1158 O THR A 75 15.230 4.256 8.612 1.00 31.31 O ATOM 1159 CB THR A 75 14.476 1.735 10.097 1.00 20.11 C ATOM 1160 OG1 THR A 75 14.701 0.338 10.342 1.00 51.33 O ATOM 1161 CG2 THR A 75 13.166 2.181 10.784 1.00 35.13 C ATOM 0 H THR A 75 16.516 1.867 8.340 1.00 61.53 H new ATOM 0 HA THR A 75 13.581 1.431 8.187 1.00 25.11 H new ATOM 0 HB THR A 75 15.289 2.326 10.519 1.00 20.11 H new ATOM 0 HG1 THR A 75 14.726 0.175 11.308 1.00 51.33 H new ATOM 0 HG21 THR A 75 13.232 1.985 11.854 1.00 35.13 H new ATOM 0 HG22 THR A 75 13.013 3.248 10.619 1.00 35.13 H new ATOM 0 HG23 THR A 75 12.328 1.625 10.364 1.00 35.13 H new ATOM 1169 N VAL A 76 13.224 3.880 7.646 1.00 13.01 N ATOM 1170 CA VAL A 76 13.115 5.161 6.938 1.00 2.12 C ATOM 1171 C VAL A 76 11.899 5.962 7.424 1.00 74.52 C ATOM 1172 O VAL A 76 10.818 5.411 7.679 1.00 0.13 O ATOM 1173 CB VAL A 76 13.035 4.931 5.386 1.00 40.40 C ATOM 1174 CG1 VAL A 76 14.402 4.483 4.815 1.00 33.43 C ATOM 1175 CG2 VAL A 76 11.926 3.911 5.032 1.00 13.52 C ATOM 0 H VAL A 76 12.371 3.321 7.615 1.00 13.01 H new ATOM 0 HA VAL A 76 14.011 5.741 7.158 1.00 2.12 H new ATOM 0 HB VAL A 76 12.777 5.883 4.923 1.00 40.40 H new ATOM 0 HG11 VAL A 76 14.315 4.332 3.739 1.00 33.43 H new ATOM 0 HG12 VAL A 76 15.149 5.251 5.014 1.00 33.43 H new ATOM 0 HG13 VAL A 76 14.706 3.550 5.289 1.00 33.43 H new ATOM 0 HG21 VAL A 76 11.892 3.770 3.952 1.00 13.52 H new ATOM 0 HG22 VAL A 76 12.141 2.958 5.515 1.00 13.52 H new ATOM 0 HG23 VAL A 76 10.963 4.285 5.379 1.00 13.52 H new ATOM 1185 N ARG A 77 12.120 7.267 7.552 1.00 42.14 N ATOM 1186 CA ARG A 77 11.116 8.239 7.981 1.00 22.14 C ATOM 1187 C ARG A 77 10.178 8.540 6.805 1.00 10.31 C ATOM 1188 O ARG A 77 10.632 8.903 5.717 1.00 33.42 O ATOM 1189 CB ARG A 77 11.863 9.518 8.486 1.00 72.35 C ATOM 1190 CG ARG A 77 11.020 10.658 9.138 1.00 32.41 C ATOM 1191 CD ARG A 77 10.201 11.513 8.143 1.00 45.45 C ATOM 1192 NE ARG A 77 10.978 11.861 6.935 1.00 62.32 N ATOM 1193 CZ ARG A 77 11.492 13.067 6.634 1.00 23.41 C ATOM 1194 NH1 ARG A 77 11.311 14.116 7.434 1.00 54.24 N ATOM 1195 NH2 ARG A 77 12.200 13.205 5.533 1.00 73.02 N ATOM 0 H ARG A 77 13.027 7.690 7.355 1.00 42.14 H new ATOM 0 HA ARG A 77 10.504 7.853 8.797 1.00 22.14 H new ATOM 0 HB2 ARG A 77 12.611 9.201 9.212 1.00 72.35 H new ATOM 0 HB3 ARG A 77 12.401 9.945 7.640 1.00 72.35 H new ATOM 0 HG2 ARG A 77 10.336 10.216 9.863 1.00 32.41 H new ATOM 0 HG3 ARG A 77 11.691 11.315 9.692 1.00 32.41 H new ATOM 0 HD2 ARG A 77 9.303 10.968 7.851 1.00 45.45 H new ATOM 0 HD3 ARG A 77 9.872 12.427 8.637 1.00 45.45 H new ATOM 0 HE ARG A 77 11.141 11.112 6.262 1.00 62.32 H new ATOM 0 HH11 ARG A 77 10.773 14.014 8.295 1.00 54.24 H new ATOM 0 HH12 ARG A 77 11.710 15.021 7.186 1.00 54.24 H new ATOM 0 HH21 ARG A 77 12.353 12.403 4.921 1.00 73.02 H new ATOM 0 HH22 ARG A 77 12.596 14.114 5.292 1.00 73.02 H new ATOM 1209 N TYR A 78 8.883 8.346 7.036 1.00 4.34 N ATOM 1210 CA TYR A 78 7.802 8.792 6.145 1.00 42.22 C ATOM 1211 C TYR A 78 7.100 10.000 6.776 1.00 50.24 C ATOM 1212 O TYR A 78 6.997 10.093 8.003 1.00 40.21 O ATOM 1213 CB TYR A 78 6.789 7.643 5.913 1.00 32.44 C ATOM 1214 CG TYR A 78 7.186 6.636 4.821 1.00 2.51 C ATOM 1215 CD1 TYR A 78 8.274 5.777 4.969 1.00 32.21 C ATOM 1216 CD2 TYR A 78 6.448 6.543 3.642 1.00 70.22 C ATOM 1217 CE1 TYR A 78 8.602 4.869 3.976 1.00 21.43 C ATOM 1218 CE2 TYR A 78 6.772 5.643 2.654 1.00 63.34 C ATOM 1219 CZ TYR A 78 7.843 4.805 2.821 1.00 41.35 C ATOM 1220 OH TYR A 78 8.163 3.899 1.832 1.00 72.31 O ATOM 0 H TYR A 78 8.542 7.863 7.867 1.00 4.34 H new ATOM 0 HA TYR A 78 8.221 9.078 5.180 1.00 42.22 H new ATOM 0 HB2 TYR A 78 6.653 7.104 6.851 1.00 32.44 H new ATOM 0 HB3 TYR A 78 5.824 8.077 5.652 1.00 32.44 H new ATOM 0 HD1 TYR A 78 8.869 5.820 5.869 1.00 32.21 H new ATOM 0 HD2 TYR A 78 5.599 7.195 3.501 1.00 70.22 H new ATOM 0 HE1 TYR A 78 9.449 4.212 4.103 1.00 21.43 H new ATOM 0 HE2 TYR A 78 6.184 5.597 1.749 1.00 63.34 H new ATOM 0 HH TYR A 78 7.528 3.986 1.091 1.00 72.31 H new ATOM 1230 N LEU A 79 6.638 10.924 5.932 1.00 53.10 N ATOM 1231 CA LEU A 79 5.840 12.081 6.368 1.00 23.20 C ATOM 1232 C LEU A 79 4.358 11.798 6.120 1.00 4.41 C ATOM 1233 O LEU A 79 3.989 11.290 5.051 1.00 52.31 O ATOM 1234 CB LEU A 79 6.296 13.377 5.642 1.00 53.40 C ATOM 1235 CG LEU A 79 7.677 13.949 6.098 1.00 31.21 C ATOM 1236 CD1 LEU A 79 8.024 15.257 5.352 1.00 23.33 C ATOM 1237 CD2 LEU A 79 7.707 14.165 7.631 1.00 14.43 C ATOM 0 H LEU A 79 6.804 10.895 4.926 1.00 53.10 H new ATOM 0 HA LEU A 79 5.994 12.239 7.435 1.00 23.20 H new ATOM 0 HB2 LEU A 79 6.340 13.177 4.571 1.00 53.40 H new ATOM 0 HB3 LEU A 79 5.536 14.144 5.792 1.00 53.40 H new ATOM 0 HG LEU A 79 8.438 13.212 5.842 1.00 31.21 H new ATOM 0 HD11 LEU A 79 8.991 15.626 5.695 1.00 23.33 H new ATOM 0 HD12 LEU A 79 8.068 15.064 4.280 1.00 23.33 H new ATOM 0 HD13 LEU A 79 7.258 16.005 5.554 1.00 23.33 H new ATOM 0 HD21 LEU A 79 8.678 14.564 7.923 1.00 14.43 H new ATOM 0 HD22 LEU A 79 6.925 14.870 7.914 1.00 14.43 H new ATOM 0 HD23 LEU A 79 7.538 13.214 8.136 1.00 14.43 H new ATOM 1249 N HIS A 80 3.515 12.111 7.125 1.00 22.50 N ATOM 1250 CA HIS A 80 2.067 11.891 7.039 1.00 24.13 C ATOM 1251 C HIS A 80 1.437 12.984 6.165 1.00 20.55 C ATOM 1252 O HIS A 80 1.131 14.086 6.632 1.00 52.14 O ATOM 1253 CB HIS A 80 1.469 11.870 8.473 1.00 61.32 C ATOM 1254 CG HIS A 80 -0.002 11.569 8.562 1.00 41.22 C ATOM 1255 ND1 HIS A 80 -0.747 11.982 9.637 1.00 44.12 N ATOM 1256 CD2 HIS A 80 -0.799 10.868 7.720 1.00 33.12 C ATOM 1257 CE1 HIS A 80 -1.961 11.530 9.428 1.00 31.54 C ATOM 1258 NE2 HIS A 80 -2.042 10.845 8.279 1.00 74.40 N ATOM 0 H HIS A 80 3.820 12.519 8.009 1.00 22.50 H new ATOM 0 HA HIS A 80 1.850 10.930 6.572 1.00 24.13 H new ATOM 0 HB2 HIS A 80 2.009 11.128 9.061 1.00 61.32 H new ATOM 0 HB3 HIS A 80 1.652 12.839 8.937 1.00 61.32 H new ATOM 0 HD1 HIS A 80 -0.424 12.528 10.435 1.00 44.12 H new ATOM 0 HD2 HIS A 80 -0.506 10.414 6.785 1.00 33.12 H new ATOM 0 HE1 HIS A 80 -2.792 11.690 10.099 1.00 31.54 H new ATOM 1266 N VAL A 81 1.235 12.642 4.892 1.00 45.34 N ATOM 1267 CA VAL A 81 0.767 13.592 3.874 1.00 2.21 C ATOM 1268 C VAL A 81 -0.757 13.632 3.789 1.00 21.14 C ATOM 1269 O VAL A 81 -1.321 14.684 3.502 1.00 34.45 O ATOM 1270 CB VAL A 81 1.370 13.262 2.461 1.00 13.00 C ATOM 1271 CG1 VAL A 81 2.918 13.331 2.489 1.00 35.23 C ATOM 1272 CG2 VAL A 81 0.871 11.891 1.948 1.00 11.15 C ATOM 0 H VAL A 81 1.390 11.699 4.534 1.00 45.34 H new ATOM 0 HA VAL A 81 1.118 14.576 4.184 1.00 2.21 H new ATOM 0 HB VAL A 81 1.020 14.019 1.759 1.00 13.00 H new ATOM 0 HG11 VAL A 81 3.311 13.099 1.499 1.00 35.23 H new ATOM 0 HG12 VAL A 81 3.232 14.334 2.778 1.00 35.23 H new ATOM 0 HG13 VAL A 81 3.301 12.609 3.210 1.00 35.23 H new ATOM 0 HG21 VAL A 81 1.305 11.689 0.968 1.00 11.15 H new ATOM 0 HG22 VAL A 81 1.172 11.110 2.646 1.00 11.15 H new ATOM 0 HG23 VAL A 81 -0.216 11.906 1.868 1.00 11.15 H new ATOM 1282 N ALA A 82 -1.417 12.483 4.025 1.00 65.20 N ATOM 1283 CA ALA A 82 -2.871 12.368 3.855 1.00 10.04 C ATOM 1284 C ALA A 82 -3.458 11.219 4.677 1.00 40.40 C ATOM 1285 O ALA A 82 -2.734 10.404 5.238 1.00 62.10 O ATOM 1286 CB ALA A 82 -3.230 12.203 2.360 1.00 51.11 C ATOM 0 H ALA A 82 -0.963 11.623 4.334 1.00 65.20 H new ATOM 0 HA ALA A 82 -3.315 13.292 4.227 1.00 10.04 H new ATOM 0 HB1 ALA A 82 -4.311 12.119 2.253 1.00 51.11 H new ATOM 0 HB2 ALA A 82 -2.876 13.071 1.803 1.00 51.11 H new ATOM 0 HB3 ALA A 82 -2.756 11.303 1.969 1.00 51.11 H new ATOM 1292 N THR A 83 -4.792 11.213 4.765 1.00 13.12 N ATOM 1293 CA THR A 83 -5.587 10.109 5.301 1.00 52.13 C ATOM 1294 C THR A 83 -6.805 9.926 4.384 1.00 12.23 C ATOM 1295 O THR A 83 -7.517 10.886 4.079 1.00 71.42 O ATOM 1296 CB THR A 83 -6.058 10.375 6.770 1.00 24.21 C ATOM 1297 OG1 THR A 83 -4.912 10.640 7.591 1.00 44.10 O ATOM 1298 CG2 THR A 83 -6.840 9.177 7.355 1.00 23.02 C ATOM 0 H THR A 83 -5.363 12.000 4.456 1.00 13.12 H new ATOM 0 HA THR A 83 -4.972 9.209 5.329 1.00 52.13 H new ATOM 0 HB THR A 83 -6.729 11.234 6.756 1.00 24.21 H new ATOM 0 HG1 THR A 83 -4.629 9.813 8.035 1.00 44.10 H new ATOM 0 HG21 THR A 83 -7.147 9.406 8.375 1.00 23.02 H new ATOM 0 HG22 THR A 83 -7.723 8.986 6.745 1.00 23.02 H new ATOM 0 HG23 THR A 83 -6.203 8.293 7.358 1.00 23.02 H new ATOM 1306 N LEU A 84 -7.021 8.690 3.948 1.00 12.41 N ATOM 1307 CA LEU A 84 -8.064 8.333 2.994 1.00 42.34 C ATOM 1308 C LEU A 84 -9.277 7.844 3.803 1.00 63.31 C ATOM 1309 O LEU A 84 -9.264 6.741 4.358 1.00 53.40 O ATOM 1310 CB LEU A 84 -7.516 7.256 2.008 1.00 33.45 C ATOM 1311 CG LEU A 84 -6.112 7.567 1.361 1.00 24.42 C ATOM 1312 CD1 LEU A 84 -5.734 6.501 0.304 1.00 11.34 C ATOM 1313 CD2 LEU A 84 -6.037 9.003 0.766 1.00 44.04 C ATOM 0 H LEU A 84 -6.464 7.892 4.254 1.00 12.41 H new ATOM 0 HA LEU A 84 -8.373 9.182 2.384 1.00 42.34 H new ATOM 0 HB2 LEU A 84 -7.448 6.306 2.539 1.00 33.45 H new ATOM 0 HB3 LEU A 84 -8.242 7.122 1.206 1.00 33.45 H new ATOM 0 HG LEU A 84 -5.378 7.522 2.165 1.00 24.42 H new ATOM 0 HD11 LEU A 84 -4.761 6.742 -0.124 1.00 11.34 H new ATOM 0 HD12 LEU A 84 -5.689 5.520 0.777 1.00 11.34 H new ATOM 0 HD13 LEU A 84 -6.485 6.489 -0.486 1.00 11.34 H new ATOM 0 HD21 LEU A 84 -5.050 9.166 0.333 1.00 44.04 H new ATOM 0 HD22 LEU A 84 -6.796 9.116 -0.008 1.00 44.04 H new ATOM 0 HD23 LEU A 84 -6.212 9.734 1.556 1.00 44.04 H new ATOM 1325 N SER A 85 -10.276 8.722 3.928 1.00 34.22 N ATOM 1326 CA SER A 85 -11.442 8.523 4.797 1.00 11.33 C ATOM 1327 C SER A 85 -12.581 7.836 4.016 1.00 21.43 C ATOM 1328 O SER A 85 -13.014 8.350 2.981 1.00 54.11 O ATOM 1329 CB SER A 85 -11.888 9.902 5.338 1.00 45.14 C ATOM 1330 OG SER A 85 -12.940 9.788 6.279 1.00 43.44 O ATOM 0 H SER A 85 -10.299 9.606 3.420 1.00 34.22 H new ATOM 0 HA SER A 85 -11.183 7.874 5.633 1.00 11.33 H new ATOM 0 HB2 SER A 85 -11.038 10.401 5.803 1.00 45.14 H new ATOM 0 HB3 SER A 85 -12.211 10.530 4.508 1.00 45.14 H new ATOM 0 HG SER A 85 -13.192 10.680 6.598 1.00 43.44 H new ATOM 1336 N PHE A 86 -13.063 6.689 4.529 1.00 41.54 N ATOM 1337 CA PHE A 86 -14.098 5.866 3.874 1.00 10.32 C ATOM 1338 C PHE A 86 -14.863 5.042 4.924 1.00 2.12 C ATOM 1339 O PHE A 86 -14.740 5.283 6.132 1.00 34.23 O ATOM 1340 CB PHE A 86 -13.468 4.947 2.779 1.00 12.32 C ATOM 1341 CG PHE A 86 -12.419 3.938 3.265 1.00 52.25 C ATOM 1342 CD1 PHE A 86 -11.083 4.310 3.418 1.00 20.14 C ATOM 1343 CD2 PHE A 86 -12.769 2.620 3.557 1.00 52.53 C ATOM 1344 CE1 PHE A 86 -10.136 3.403 3.844 1.00 71.40 C ATOM 1345 CE2 PHE A 86 -11.823 1.713 3.984 1.00 11.30 C ATOM 1346 CZ PHE A 86 -10.506 2.102 4.130 1.00 53.33 C ATOM 0 H PHE A 86 -12.743 6.304 5.417 1.00 41.54 H new ATOM 0 HA PHE A 86 -14.808 6.527 3.377 1.00 10.32 H new ATOM 0 HB2 PHE A 86 -14.272 4.397 2.289 1.00 12.32 H new ATOM 0 HB3 PHE A 86 -13.008 5.582 2.022 1.00 12.32 H new ATOM 0 HD1 PHE A 86 -10.786 5.325 3.199 1.00 20.14 H new ATOM 0 HD2 PHE A 86 -13.796 2.305 3.447 1.00 52.53 H new ATOM 0 HE1 PHE A 86 -9.106 3.709 3.954 1.00 71.40 H new ATOM 0 HE2 PHE A 86 -12.112 0.696 4.205 1.00 11.30 H new ATOM 0 HZ PHE A 86 -9.766 1.391 4.467 1.00 53.33 H new ATOM 1356 N ASP A 87 -15.700 4.113 4.450 1.00 51.55 N ATOM 1357 CA ASP A 87 -16.385 3.136 5.310 1.00 5.32 C ATOM 1358 C ASP A 87 -16.333 1.743 4.662 1.00 15.40 C ATOM 1359 O ASP A 87 -16.373 1.615 3.428 1.00 51.11 O ATOM 1360 CB ASP A 87 -17.844 3.581 5.619 1.00 71.33 C ATOM 1361 CG ASP A 87 -18.752 3.707 4.377 1.00 21.42 C ATOM 1362 OD1 ASP A 87 -19.416 2.718 3.999 1.00 32.10 O ATOM 1363 OD2 ASP A 87 -18.824 4.809 3.786 1.00 11.34 O ATOM 0 H ASP A 87 -15.923 4.015 3.460 1.00 51.55 H new ATOM 0 HA ASP A 87 -15.866 3.084 6.267 1.00 5.32 H new ATOM 0 HB2 ASP A 87 -18.290 2.865 6.309 1.00 71.33 H new ATOM 0 HB3 ASP A 87 -17.816 4.542 6.132 1.00 71.33 H new ATOM 1368 N LEU A 88 -16.227 0.712 5.512 1.00 23.55 N ATOM 1369 CA LEU A 88 -16.094 -0.699 5.101 1.00 5.23 C ATOM 1370 C LEU A 88 -16.653 -1.592 6.223 1.00 75.41 C ATOM 1371 O LEU A 88 -16.444 -1.281 7.399 1.00 24.33 O ATOM 1372 CB LEU A 88 -14.594 -1.043 4.826 1.00 24.02 C ATOM 1373 CG LEU A 88 -14.282 -2.500 4.346 1.00 2.25 C ATOM 1374 CD1 LEU A 88 -14.884 -2.780 2.944 1.00 53.34 C ATOM 1375 CD2 LEU A 88 -12.758 -2.776 4.374 1.00 63.35 C ATOM 0 H LEU A 88 -16.231 0.834 6.525 1.00 23.55 H new ATOM 0 HA LEU A 88 -16.654 -0.871 4.182 1.00 5.23 H new ATOM 0 HB2 LEU A 88 -14.219 -0.349 4.074 1.00 24.02 H new ATOM 0 HB3 LEU A 88 -14.030 -0.858 5.740 1.00 24.02 H new ATOM 0 HG LEU A 88 -14.759 -3.189 5.043 1.00 2.25 H new ATOM 0 HD11 LEU A 88 -14.647 -3.801 2.644 1.00 53.34 H new ATOM 0 HD12 LEU A 88 -15.966 -2.654 2.981 1.00 53.34 H new ATOM 0 HD13 LEU A 88 -14.462 -2.082 2.221 1.00 53.34 H new ATOM 0 HD21 LEU A 88 -12.566 -3.795 4.036 1.00 63.35 H new ATOM 0 HD22 LEU A 88 -12.249 -2.073 3.715 1.00 63.35 H new ATOM 0 HD23 LEU A 88 -12.385 -2.655 5.391 1.00 63.35 H new ATOM 1387 N ASP A 89 -17.403 -2.658 5.849 1.00 14.00 N ATOM 1388 CA ASP A 89 -17.874 -3.717 6.794 1.00 45.31 C ATOM 1389 C ASP A 89 -18.935 -3.176 7.798 1.00 45.13 C ATOM 1390 O ASP A 89 -19.200 -3.771 8.849 1.00 40.12 O ATOM 1391 CB ASP A 89 -16.645 -4.362 7.509 1.00 71.55 C ATOM 1392 CG ASP A 89 -16.975 -5.595 8.369 1.00 32.14 C ATOM 1393 OD1 ASP A 89 -17.246 -6.675 7.799 1.00 2.40 O ATOM 1394 OD2 ASP A 89 -16.926 -5.503 9.614 1.00 21.44 O ATOM 0 H ASP A 89 -17.701 -2.813 4.886 1.00 14.00 H new ATOM 0 HA ASP A 89 -18.383 -4.494 6.225 1.00 45.31 H new ATOM 0 HB2 ASP A 89 -15.912 -4.648 6.755 1.00 71.55 H new ATOM 0 HB3 ASP A 89 -16.174 -3.610 8.142 1.00 71.55 H new ATOM 1399 N GLY A 90 -19.599 -2.077 7.425 1.00 43.31 N ATOM 1400 CA GLY A 90 -20.611 -1.442 8.279 1.00 64.52 C ATOM 1401 C GLY A 90 -20.030 -0.531 9.355 1.00 31.21 C ATOM 1402 O GLY A 90 -20.758 -0.103 10.253 1.00 13.13 O ATOM 0 H GLY A 90 -19.453 -1.606 6.532 1.00 43.31 H new ATOM 0 HA2 GLY A 90 -21.288 -0.861 7.652 1.00 64.52 H new ATOM 0 HA3 GLY A 90 -21.207 -2.219 8.758 1.00 64.52 H new ATOM 1406 N GLU A 91 -18.725 -0.217 9.259 1.00 20.42 N ATOM 1407 CA GLU A 91 -18.043 0.699 10.194 1.00 55.42 C ATOM 1408 C GLU A 91 -17.256 1.772 9.413 1.00 41.02 C ATOM 1409 O GLU A 91 -16.996 1.611 8.218 1.00 12.01 O ATOM 1410 CB GLU A 91 -17.086 -0.077 11.149 1.00 4.43 C ATOM 1411 CG GLU A 91 -15.865 -0.748 10.468 1.00 52.32 C ATOM 1412 CD GLU A 91 -14.673 -0.982 11.420 1.00 73.32 C ATOM 1413 OE1 GLU A 91 -14.296 -0.029 12.140 1.00 23.33 O ATOM 1414 OE2 GLU A 91 -14.065 -2.076 11.403 1.00 51.44 O ATOM 0 H GLU A 91 -18.114 -0.590 8.533 1.00 20.42 H new ATOM 0 HA GLU A 91 -18.806 1.186 10.801 1.00 55.42 H new ATOM 0 HB2 GLU A 91 -16.722 0.613 11.910 1.00 4.43 H new ATOM 0 HB3 GLU A 91 -17.661 -0.846 11.665 1.00 4.43 H new ATOM 0 HG2 GLU A 91 -16.175 -1.704 10.047 1.00 52.32 H new ATOM 0 HG3 GLU A 91 -15.537 -0.125 9.636 1.00 52.32 H new ATOM 1421 N SER A 92 -16.876 2.857 10.110 1.00 64.30 N ATOM 1422 CA SER A 92 -16.031 3.928 9.559 1.00 22.11 C ATOM 1423 C SER A 92 -14.566 3.479 9.587 1.00 14.43 C ATOM 1424 O SER A 92 -14.062 3.073 10.643 1.00 43.02 O ATOM 1425 CB SER A 92 -16.228 5.215 10.395 1.00 34.45 C ATOM 1426 OG SER A 92 -15.425 6.276 9.918 1.00 20.34 O ATOM 0 H SER A 92 -17.150 3.015 11.080 1.00 64.30 H new ATOM 0 HA SER A 92 -16.312 4.137 8.527 1.00 22.11 H new ATOM 0 HB2 SER A 92 -17.277 5.511 10.366 1.00 34.45 H new ATOM 0 HB3 SER A 92 -15.982 5.013 11.438 1.00 34.45 H new ATOM 0 HG SER A 92 -15.576 7.073 10.468 1.00 20.34 H new ATOM 1432 N ARG A 93 -13.895 3.527 8.422 1.00 74.32 N ATOM 1433 CA ARG A 93 -12.493 3.095 8.269 1.00 33.43 C ATOM 1434 C ARG A 93 -11.657 4.183 7.587 1.00 2.32 C ATOM 1435 O ARG A 93 -12.129 4.879 6.689 1.00 4.25 O ATOM 1436 CB ARG A 93 -12.415 1.765 7.464 1.00 2.41 C ATOM 1437 CG ARG A 93 -12.939 0.503 8.192 1.00 74.04 C ATOM 1438 CD ARG A 93 -12.036 0.051 9.360 1.00 71.44 C ATOM 1439 NE ARG A 93 -12.062 0.976 10.510 1.00 65.41 N ATOM 1440 CZ ARG A 93 -10.989 1.543 11.100 1.00 60.04 C ATOM 1441 NH1 ARG A 93 -9.754 1.306 10.670 1.00 11.10 N ATOM 1442 NH2 ARG A 93 -11.174 2.367 12.113 1.00 3.15 N ATOM 0 H ARG A 93 -14.312 3.868 7.556 1.00 74.32 H new ATOM 0 HA ARG A 93 -12.082 2.923 9.264 1.00 33.43 H new ATOM 0 HB2 ARG A 93 -12.979 1.888 6.540 1.00 2.41 H new ATOM 0 HB3 ARG A 93 -11.376 1.593 7.182 1.00 2.41 H new ATOM 0 HG2 ARG A 93 -13.941 0.702 8.573 1.00 74.04 H new ATOM 0 HG3 ARG A 93 -13.027 -0.312 7.474 1.00 74.04 H new ATOM 0 HD2 ARG A 93 -12.351 -0.939 9.691 1.00 71.44 H new ATOM 0 HD3 ARG A 93 -11.011 -0.044 9.002 1.00 71.44 H new ATOM 0 HE ARG A 93 -12.977 1.209 10.895 1.00 65.41 H new ATOM 0 HH11 ARG A 93 -9.601 0.683 9.877 1.00 11.10 H new ATOM 0 HH12 ARG A 93 -8.959 1.747 11.133 1.00 11.10 H new ATOM 0 HH21 ARG A 93 -12.119 2.568 12.441 1.00 3.15 H new ATOM 0 HH22 ARG A 93 -10.372 2.803 12.569 1.00 3.15 H new ATOM 1456 N ASP A 94 -10.404 4.309 8.026 1.00 2.12 N ATOM 1457 CA ASP A 94 -9.447 5.277 7.470 1.00 33.10 C ATOM 1458 C ASP A 94 -8.073 4.622 7.296 1.00 72.42 C ATOM 1459 O ASP A 94 -7.651 3.810 8.131 1.00 54.34 O ATOM 1460 CB ASP A 94 -9.361 6.525 8.385 1.00 71.22 C ATOM 1461 CG ASP A 94 -8.766 6.228 9.780 1.00 33.32 C ATOM 1462 OD1 ASP A 94 -9.427 5.548 10.595 1.00 15.11 O ATOM 1463 OD2 ASP A 94 -7.647 6.691 10.069 1.00 10.12 O ATOM 0 H ASP A 94 -10.019 3.741 8.781 1.00 2.12 H new ATOM 0 HA ASP A 94 -9.793 5.599 6.488 1.00 33.10 H new ATOM 0 HB2 ASP A 94 -8.753 7.284 7.894 1.00 71.22 H new ATOM 0 HB3 ASP A 94 -10.359 6.946 8.507 1.00 71.22 H new ATOM 1468 N LEU A 95 -7.405 4.954 6.180 1.00 45.51 N ATOM 1469 CA LEU A 95 -6.035 4.495 5.877 1.00 75.13 C ATOM 1470 C LEU A 95 -5.133 5.706 5.663 1.00 23.12 C ATOM 1471 O LEU A 95 -5.414 6.534 4.808 1.00 31.41 O ATOM 1472 CB LEU A 95 -6.014 3.583 4.616 1.00 70.04 C ATOM 1473 CG LEU A 95 -6.719 2.201 4.765 1.00 61.32 C ATOM 1474 CD1 LEU A 95 -6.494 1.325 3.511 1.00 51.23 C ATOM 1475 CD2 LEU A 95 -6.264 1.480 6.056 1.00 40.12 C ATOM 0 H LEU A 95 -7.801 5.553 5.456 1.00 45.51 H new ATOM 0 HA LEU A 95 -5.670 3.908 6.720 1.00 75.13 H new ATOM 0 HB2 LEU A 95 -6.484 4.122 3.793 1.00 70.04 H new ATOM 0 HB3 LEU A 95 -4.976 3.411 4.333 1.00 70.04 H new ATOM 0 HG LEU A 95 -7.791 2.376 4.852 1.00 61.32 H new ATOM 0 HD11 LEU A 95 -6.997 0.367 3.642 1.00 51.23 H new ATOM 0 HD12 LEU A 95 -6.901 1.831 2.636 1.00 51.23 H new ATOM 0 HD13 LEU A 95 -5.426 1.158 3.370 1.00 51.23 H new ATOM 0 HD21 LEU A 95 -6.772 0.519 6.134 1.00 40.12 H new ATOM 0 HD22 LEU A 95 -5.186 1.320 6.023 1.00 40.12 H new ATOM 0 HD23 LEU A 95 -6.513 2.093 6.922 1.00 40.12 H new ATOM 1487 N HIS A 96 -4.024 5.785 6.398 1.00 22.03 N ATOM 1488 CA HIS A 96 -3.146 6.960 6.359 1.00 74.13 C ATOM 1489 C HIS A 96 -2.112 6.770 5.254 1.00 53.32 C ATOM 1490 O HIS A 96 -1.416 5.749 5.208 1.00 61.45 O ATOM 1491 CB HIS A 96 -2.453 7.166 7.722 1.00 14.02 C ATOM 1492 CG HIS A 96 -3.408 7.430 8.855 1.00 35.13 C ATOM 1493 ND1 HIS A 96 -3.585 8.690 9.366 1.00 24.14 N ATOM 1494 CD2 HIS A 96 -4.218 6.575 9.513 1.00 22.52 C ATOM 1495 CE1 HIS A 96 -4.485 8.574 10.319 1.00 34.42 C ATOM 1496 NE2 HIS A 96 -4.911 7.315 10.438 1.00 40.40 N ATOM 0 H HIS A 96 -3.710 5.049 7.030 1.00 22.03 H new ATOM 0 HA HIS A 96 -3.740 7.850 6.151 1.00 74.13 H new ATOM 0 HB2 HIS A 96 -1.862 6.281 7.956 1.00 14.02 H new ATOM 0 HB3 HIS A 96 -1.758 8.002 7.643 1.00 14.02 H new ATOM 0 HD1 HIS A 96 -3.114 9.544 9.068 1.00 24.14 H new ATOM 0 HD2 HIS A 96 -4.305 5.512 9.344 1.00 22.52 H new ATOM 0 HE1 HIS A 96 -4.835 9.394 10.928 1.00 34.42 H new ATOM 1504 N ALA A 97 -2.019 7.771 4.377 1.00 54.31 N ATOM 1505 CA ALA A 97 -1.121 7.765 3.226 1.00 75.02 C ATOM 1506 C ALA A 97 0.116 8.571 3.594 1.00 20.20 C ATOM 1507 O ALA A 97 0.003 9.701 4.091 1.00 23.31 O ATOM 1508 CB ALA A 97 -1.831 8.370 1.999 1.00 2.41 C ATOM 0 H ALA A 97 -2.576 8.622 4.450 1.00 54.31 H new ATOM 0 HA ALA A 97 -0.832 6.746 2.968 1.00 75.02 H new ATOM 0 HB1 ALA A 97 -1.153 8.361 1.145 1.00 2.41 H new ATOM 0 HB2 ALA A 97 -2.718 7.781 1.764 1.00 2.41 H new ATOM 0 HB3 ALA A 97 -2.125 9.396 2.218 1.00 2.41 H new ATOM 1514 N PHE A 98 1.290 7.966 3.397 1.00 64.44 N ATOM 1515 CA PHE A 98 2.574 8.583 3.737 1.00 33.11 C ATOM 1516 C PHE A 98 3.470 8.591 2.507 1.00 45.21 C ATOM 1517 O PHE A 98 3.307 7.773 1.596 1.00 34.15 O ATOM 1518 CB PHE A 98 3.292 7.808 4.879 1.00 52.35 C ATOM 1519 CG PHE A 98 2.443 7.406 6.087 1.00 70.30 C ATOM 1520 CD1 PHE A 98 2.132 8.324 7.076 1.00 71.11 C ATOM 1521 CD2 PHE A 98 1.979 6.097 6.241 1.00 73.24 C ATOM 1522 CE1 PHE A 98 1.388 7.961 8.181 1.00 64.31 C ATOM 1523 CE2 PHE A 98 1.233 5.732 7.348 1.00 10.03 C ATOM 1524 CZ PHE A 98 0.941 6.664 8.320 1.00 73.05 C ATOM 0 H PHE A 98 1.377 7.032 2.996 1.00 64.44 H new ATOM 0 HA PHE A 98 2.381 9.600 4.078 1.00 33.11 H new ATOM 0 HB2 PHE A 98 3.726 6.903 4.454 1.00 52.35 H new ATOM 0 HB3 PHE A 98 4.120 8.421 5.236 1.00 52.35 H new ATOM 0 HD1 PHE A 98 2.478 9.343 6.981 1.00 71.11 H new ATOM 0 HD2 PHE A 98 2.206 5.360 5.485 1.00 73.24 H new ATOM 0 HE1 PHE A 98 1.156 8.695 8.938 1.00 64.31 H new ATOM 0 HE2 PHE A 98 0.880 4.717 7.450 1.00 10.03 H new ATOM 0 HZ PHE A 98 0.364 6.380 9.188 1.00 73.05 H new ATOM 1534 N ARG A 99 4.426 9.529 2.498 1.00 34.15 N ATOM 1535 CA ARG A 99 5.403 9.722 1.412 1.00 13.25 C ATOM 1536 C ARG A 99 6.729 10.105 2.065 1.00 75.40 C ATOM 1537 O ARG A 99 6.734 10.995 2.926 1.00 34.53 O ATOM 1538 CB ARG A 99 4.892 10.818 0.431 1.00 33.25 C ATOM 1539 CG ARG A 99 3.591 10.416 -0.305 1.00 51.34 C ATOM 1540 CD ARG A 99 2.834 11.578 -0.958 1.00 13.33 C ATOM 1541 NE ARG A 99 3.382 11.985 -2.256 1.00 54.41 N ATOM 1542 CZ ARG A 99 2.844 12.923 -3.059 1.00 4.32 C ATOM 1543 NH1 ARG A 99 1.737 13.582 -2.708 1.00 1.54 N ATOM 1544 NH2 ARG A 99 3.427 13.191 -4.207 1.00 73.14 N ATOM 0 H ARG A 99 4.547 10.192 3.263 1.00 34.15 H new ATOM 0 HA ARG A 99 5.538 8.815 0.823 1.00 13.25 H new ATOM 0 HB2 ARG A 99 4.719 11.741 0.985 1.00 33.25 H new ATOM 0 HB3 ARG A 99 5.668 11.029 -0.305 1.00 33.25 H new ATOM 0 HG2 ARG A 99 3.837 9.684 -1.074 1.00 51.34 H new ATOM 0 HG3 ARG A 99 2.927 9.922 0.404 1.00 51.34 H new ATOM 0 HD2 ARG A 99 1.790 11.292 -1.088 1.00 13.33 H new ATOM 0 HD3 ARG A 99 2.848 12.434 -0.283 1.00 13.33 H new ATOM 0 HE ARG A 99 4.234 11.523 -2.574 1.00 54.41 H new ATOM 0 HH11 ARG A 99 1.283 13.379 -1.818 1.00 1.54 H new ATOM 0 HH12 ARG A 99 1.345 14.289 -3.330 1.00 1.54 H new ATOM 0 HH21 ARG A 99 4.274 12.691 -4.478 1.00 73.14 H new ATOM 0 HH22 ARG A 99 3.032 13.899 -4.827 1.00 73.14 H new ATOM 1558 N GLN A 100 7.824 9.422 1.648 1.00 40.34 N ATOM 1559 CA GLN A 100 9.138 9.401 2.347 1.00 42.41 C ATOM 1560 C GLN A 100 9.572 10.770 2.933 1.00 54.44 C ATOM 1561 O GLN A 100 9.465 10.987 4.153 1.00 72.51 O ATOM 1562 CB GLN A 100 10.234 8.832 1.376 1.00 44.21 C ATOM 1563 CG GLN A 100 10.255 7.289 1.219 1.00 74.34 C ATOM 1564 CD GLN A 100 11.058 6.553 2.305 1.00 72.53 C ATOM 1565 OE1 GLN A 100 11.108 7.080 3.529 1.00 14.45 O flip ATOM 1566 NE2 GLN A 100 11.627 5.492 2.045 1.00 2.30 N flip ATOM 0 H GLN A 100 7.820 8.858 0.798 1.00 40.34 H new ATOM 0 HA GLN A 100 9.022 8.749 3.213 1.00 42.41 H new ATOM 0 HB2 GLN A 100 10.088 9.277 0.392 1.00 44.21 H new ATOM 0 HB3 GLN A 100 11.212 9.156 1.731 1.00 44.21 H new ATOM 0 HG2 GLN A 100 9.229 6.920 1.230 1.00 74.34 H new ATOM 0 HG3 GLN A 100 10.673 7.040 0.243 1.00 74.34 H new ATOM 0 HE21 GLN A 100 11.578 5.104 1.103 1.00 2.30 H new ATOM 0 HE22 GLN A 100 12.148 5.001 2.772 1.00 2.30 H new ATOM 1575 N ALA A 101 10.050 11.681 2.081 1.00 3.14 N ATOM 1576 CA ALA A 101 10.372 13.058 2.482 1.00 34.34 C ATOM 1577 C ALA A 101 9.505 14.053 1.702 1.00 50.11 C ATOM 1578 O ALA A 101 8.507 14.571 2.216 1.00 22.31 O ATOM 1579 CB ALA A 101 11.880 13.327 2.287 1.00 22.45 C ATOM 0 H ALA A 101 10.225 11.488 1.095 1.00 3.14 H new ATOM 0 HA ALA A 101 10.148 13.190 3.541 1.00 34.34 H new ATOM 0 HB1 ALA A 101 12.109 14.350 2.587 1.00 22.45 H new ATOM 0 HB2 ALA A 101 12.456 12.632 2.899 1.00 22.45 H new ATOM 0 HB3 ALA A 101 12.141 13.189 1.238 1.00 22.45 H new ATOM 1585 N ALA A 102 9.861 14.268 0.429 1.00 62.53 N ATOM 1586 CA ALA A 102 9.236 15.275 -0.432 1.00 43.11 C ATOM 1587 C ALA A 102 8.821 14.653 -1.774 1.00 52.13 C ATOM 1588 O ALA A 102 8.948 15.292 -2.828 1.00 63.32 O ATOM 1589 CB ALA A 102 10.226 16.442 -0.616 1.00 41.11 C ATOM 0 H ALA A 102 10.600 13.740 -0.036 1.00 62.53 H new ATOM 0 HA ALA A 102 8.326 15.657 0.030 1.00 43.11 H new ATOM 0 HB1 ALA A 102 9.777 17.202 -1.255 1.00 41.11 H new ATOM 0 HB2 ALA A 102 10.460 16.877 0.356 1.00 41.11 H new ATOM 0 HB3 ALA A 102 11.141 16.073 -1.079 1.00 41.11 H new ATOM 1595 N ASP A 103 8.314 13.397 -1.713 1.00 43.33 N ATOM 1596 CA ASP A 103 7.907 12.611 -2.902 1.00 73.24 C ATOM 1597 C ASP A 103 6.889 13.387 -3.746 1.00 13.05 C ATOM 1598 O ASP A 103 5.880 13.839 -3.213 1.00 44.00 O ATOM 1599 CB ASP A 103 7.284 11.260 -2.453 1.00 34.14 C ATOM 1600 CG ASP A 103 6.728 10.401 -3.612 1.00 21.32 C ATOM 1601 OD1 ASP A 103 7.494 9.606 -4.190 1.00 31.20 O ATOM 1602 OD2 ASP A 103 5.522 10.533 -3.948 1.00 72.50 O ATOM 0 H ASP A 103 8.176 12.900 -0.833 1.00 43.33 H new ATOM 0 HA ASP A 103 8.793 12.424 -3.508 1.00 73.24 H new ATOM 0 HB2 ASP A 103 8.040 10.684 -1.919 1.00 34.14 H new ATOM 0 HB3 ASP A 103 6.479 11.461 -1.746 1.00 34.14 H new ATOM 1607 N GLU A 104 7.174 13.543 -5.047 1.00 74.21 N ATOM 1608 CA GLU A 104 6.253 14.160 -6.027 1.00 43.10 C ATOM 1609 C GLU A 104 5.749 13.100 -7.029 1.00 51.34 C ATOM 1610 O GLU A 104 4.933 13.421 -7.901 1.00 13.00 O ATOM 1611 CB GLU A 104 6.942 15.365 -6.744 1.00 71.04 C ATOM 1612 CG GLU A 104 7.494 16.431 -5.773 1.00 75.15 C ATOM 1613 CD GLU A 104 7.832 17.768 -6.449 1.00 3.33 C ATOM 1614 OE1 GLU A 104 8.934 17.904 -7.025 1.00 64.25 O ATOM 1615 OE2 GLU A 104 6.986 18.688 -6.416 1.00 54.25 O ATOM 0 H GLU A 104 8.058 13.243 -5.458 1.00 74.21 H new ATOM 0 HA GLU A 104 5.383 14.553 -5.501 1.00 43.10 H new ATOM 0 HB2 GLU A 104 7.759 14.991 -7.361 1.00 71.04 H new ATOM 0 HB3 GLU A 104 6.224 15.835 -7.416 1.00 71.04 H new ATOM 0 HG2 GLU A 104 6.760 16.607 -4.986 1.00 75.15 H new ATOM 0 HG3 GLU A 104 8.391 16.041 -5.291 1.00 75.15 H new ATOM 1622 N SER A 105 6.192 11.829 -6.846 1.00 20.20 N ATOM 1623 CA SER A 105 5.781 10.673 -7.678 1.00 31.40 C ATOM 1624 C SER A 105 4.360 10.190 -7.318 1.00 31.43 C ATOM 1625 O SER A 105 3.856 9.240 -7.934 1.00 60.23 O ATOM 1626 CB SER A 105 6.805 9.522 -7.493 1.00 72.24 C ATOM 1627 OG SER A 105 6.462 8.360 -8.239 1.00 61.11 O ATOM 0 H SER A 105 6.851 11.578 -6.109 1.00 20.20 H new ATOM 0 HA SER A 105 5.762 10.987 -8.722 1.00 31.40 H new ATOM 0 HB2 SER A 105 7.793 9.867 -7.798 1.00 72.24 H new ATOM 0 HB3 SER A 105 6.870 9.265 -6.436 1.00 72.24 H new ATOM 0 HG SER A 105 5.487 8.258 -8.256 1.00 61.11 H new ATOM 1633 N ARG A 106 3.735 10.831 -6.286 1.00 45.20 N ATOM 1634 CA ARG A 106 2.325 10.600 -5.891 1.00 23.31 C ATOM 1635 C ARG A 106 2.142 9.193 -5.305 1.00 62.24 C ATOM 1636 O ARG A 106 1.031 8.677 -5.222 1.00 53.02 O ATOM 1637 CB ARG A 106 1.379 10.896 -7.091 1.00 31.51 C ATOM 1638 CG ARG A 106 1.490 12.347 -7.619 1.00 54.55 C ATOM 1639 CD ARG A 106 0.773 12.544 -8.959 1.00 53.13 C ATOM 1640 NE ARG A 106 0.932 13.921 -9.462 1.00 40.22 N ATOM 1641 CZ ARG A 106 0.710 14.314 -10.725 1.00 14.52 C ATOM 1642 NH1 ARG A 106 0.312 13.447 -11.652 1.00 23.04 N ATOM 1643 NH2 ARG A 106 0.886 15.581 -11.058 1.00 13.32 N ATOM 0 H ARG A 106 4.205 11.526 -5.706 1.00 45.20 H new ATOM 0 HA ARG A 106 2.053 11.293 -5.095 1.00 23.31 H new ATOM 0 HB2 ARG A 106 1.606 10.204 -7.902 1.00 31.51 H new ATOM 0 HB3 ARG A 106 0.349 10.705 -6.788 1.00 31.51 H new ATOM 0 HG2 ARG A 106 1.069 13.031 -6.882 1.00 54.55 H new ATOM 0 HG3 ARG A 106 2.542 12.609 -7.732 1.00 54.55 H new ATOM 0 HD2 ARG A 106 1.169 11.840 -9.691 1.00 53.13 H new ATOM 0 HD3 ARG A 106 -0.287 12.319 -8.842 1.00 53.13 H new ATOM 0 HE ARG A 106 1.235 14.632 -8.796 1.00 40.22 H new ATOM 0 HH11 ARG A 106 0.171 12.467 -11.407 1.00 23.04 H new ATOM 0 HH12 ARG A 106 0.148 13.762 -12.608 1.00 23.04 H new ATOM 0 HH21 ARG A 106 1.190 16.255 -10.356 1.00 13.32 H new ATOM 0 HH22 ARG A 106 0.718 15.884 -12.017 1.00 13.32 H new ATOM 1657 N THR A 107 3.248 8.613 -4.831 1.00 52.14 N ATOM 1658 CA THR A 107 3.259 7.264 -4.287 1.00 2.33 C ATOM 1659 C THR A 107 2.669 7.281 -2.861 1.00 33.50 C ATOM 1660 O THR A 107 3.364 7.592 -1.884 1.00 23.03 O ATOM 1661 CB THR A 107 4.708 6.686 -4.304 1.00 5.41 C ATOM 1662 OG1 THR A 107 5.251 6.829 -5.632 1.00 21.20 O ATOM 1663 CG2 THR A 107 4.761 5.202 -3.888 1.00 34.21 C ATOM 0 H THR A 107 4.159 9.071 -4.816 1.00 52.14 H new ATOM 0 HA THR A 107 2.641 6.613 -4.905 1.00 2.33 H new ATOM 0 HB THR A 107 5.296 7.246 -3.577 1.00 5.41 H new ATOM 0 HG1 THR A 107 4.702 6.323 -6.266 1.00 21.20 H new ATOM 0 HG21 THR A 107 5.793 4.852 -3.918 1.00 34.21 H new ATOM 0 HG22 THR A 107 4.370 5.094 -2.876 1.00 34.21 H new ATOM 0 HG23 THR A 107 4.157 4.610 -4.576 1.00 34.21 H new ATOM 1671 N LEU A 108 1.357 6.998 -2.783 1.00 33.04 N ATOM 1672 CA LEU A 108 0.601 6.969 -1.527 1.00 2.30 C ATOM 1673 C LEU A 108 0.786 5.601 -0.873 1.00 53.25 C ATOM 1674 O LEU A 108 0.319 4.576 -1.383 1.00 72.31 O ATOM 1675 CB LEU A 108 -0.905 7.237 -1.787 1.00 63.15 C ATOM 1676 CG LEU A 108 -1.250 8.594 -2.467 1.00 44.41 C ATOM 1677 CD1 LEU A 108 -2.770 8.703 -2.729 1.00 1.10 C ATOM 1678 CD2 LEU A 108 -0.723 9.792 -1.633 1.00 3.12 C ATOM 0 H LEU A 108 0.789 6.781 -3.602 1.00 33.04 H new ATOM 0 HA LEU A 108 0.972 7.751 -0.864 1.00 2.30 H new ATOM 0 HB2 LEU A 108 -1.294 6.432 -2.410 1.00 63.15 H new ATOM 0 HB3 LEU A 108 -1.432 7.186 -0.834 1.00 63.15 H new ATOM 0 HG LEU A 108 -0.744 8.629 -3.432 1.00 44.41 H new ATOM 0 HD11 LEU A 108 -2.990 9.659 -3.205 1.00 1.10 H new ATOM 0 HD12 LEU A 108 -3.085 7.891 -3.384 1.00 1.10 H new ATOM 0 HD13 LEU A 108 -3.308 8.636 -1.783 1.00 1.10 H new ATOM 0 HD21 LEU A 108 -0.980 10.725 -2.134 1.00 3.12 H new ATOM 0 HD22 LEU A 108 -1.179 9.775 -0.643 1.00 3.12 H new ATOM 0 HD23 LEU A 108 0.360 9.719 -1.535 1.00 3.12 H new ATOM 1690 N PHE A 109 1.493 5.611 0.246 1.00 35.03 N ATOM 1691 CA PHE A 109 1.852 4.411 0.980 1.00 54.14 C ATOM 1692 C PHE A 109 0.866 4.275 2.141 1.00 34.44 C ATOM 1693 O PHE A 109 0.962 5.030 3.117 1.00 10.21 O ATOM 1694 CB PHE A 109 3.310 4.567 1.473 1.00 24.11 C ATOM 1695 CG PHE A 109 3.969 3.287 1.979 1.00 54.31 C ATOM 1696 CD1 PHE A 109 4.390 2.315 1.081 1.00 1.42 C ATOM 1697 CD2 PHE A 109 4.211 3.078 3.335 1.00 32.42 C ATOM 1698 CE1 PHE A 109 5.033 1.175 1.518 1.00 60.14 C ATOM 1699 CE2 PHE A 109 4.845 1.930 3.777 1.00 11.14 C ATOM 1700 CZ PHE A 109 5.261 0.979 2.868 1.00 60.42 C ATOM 0 H PHE A 109 1.839 6.469 0.676 1.00 35.03 H new ATOM 0 HA PHE A 109 1.798 3.512 0.366 1.00 54.14 H new ATOM 0 HB2 PHE A 109 3.911 4.967 0.656 1.00 24.11 H new ATOM 0 HB3 PHE A 109 3.328 5.306 2.274 1.00 24.11 H new ATOM 0 HD1 PHE A 109 4.211 2.453 0.025 1.00 1.42 H new ATOM 0 HD2 PHE A 109 3.899 3.823 4.052 1.00 32.42 H new ATOM 0 HE1 PHE A 109 5.359 0.434 0.804 1.00 60.14 H new ATOM 0 HE2 PHE A 109 5.014 1.779 4.833 1.00 11.14 H new ATOM 0 HZ PHE A 109 5.762 0.085 3.209 1.00 60.42 H new ATOM 1710 N VAL A 110 -0.119 3.363 2.010 1.00 61.23 N ATOM 1711 CA VAL A 110 -1.147 3.141 3.055 1.00 64.40 C ATOM 1712 C VAL A 110 -0.950 1.751 3.716 1.00 61.53 C ATOM 1713 O VAL A 110 -1.458 0.734 3.225 1.00 63.20 O ATOM 1714 CB VAL A 110 -2.648 3.343 2.547 1.00 13.35 C ATOM 1715 CG1 VAL A 110 -2.925 4.817 2.194 1.00 64.32 C ATOM 1716 CG2 VAL A 110 -3.012 2.439 1.349 1.00 23.15 C ATOM 0 H VAL A 110 -0.227 2.766 1.190 1.00 61.23 H new ATOM 0 HA VAL A 110 -0.997 3.919 3.804 1.00 64.40 H new ATOM 0 HB VAL A 110 -3.284 3.046 3.381 1.00 13.35 H new ATOM 0 HG11 VAL A 110 -3.955 4.922 1.852 1.00 64.32 H new ATOM 0 HG12 VAL A 110 -2.771 5.438 3.077 1.00 64.32 H new ATOM 0 HG13 VAL A 110 -2.246 5.136 1.404 1.00 64.32 H new ATOM 0 HG21 VAL A 110 -4.044 2.625 1.053 1.00 23.15 H new ATOM 0 HG22 VAL A 110 -2.349 2.659 0.512 1.00 23.15 H new ATOM 0 HG23 VAL A 110 -2.900 1.393 1.635 1.00 23.15 H new ATOM 1726 N PRO A 111 -0.156 1.674 4.831 1.00 64.04 N ATOM 1727 CA PRO A 111 -0.092 0.464 5.652 1.00 74.34 C ATOM 1728 C PRO A 111 -1.449 0.255 6.331 1.00 24.11 C ATOM 1729 O PRO A 111 -2.016 1.210 6.872 1.00 73.12 O ATOM 1730 CB PRO A 111 1.045 0.756 6.691 1.00 31.21 C ATOM 1731 CG PRO A 111 1.748 1.979 6.174 1.00 11.13 C ATOM 1732 CD PRO A 111 0.712 2.744 5.383 1.00 3.23 C ATOM 0 HA PRO A 111 0.120 -0.444 5.087 1.00 74.34 H new ATOM 0 HB2 PRO A 111 0.634 0.929 7.686 1.00 31.21 H new ATOM 0 HB3 PRO A 111 1.731 -0.088 6.772 1.00 31.21 H new ATOM 0 HG2 PRO A 111 2.138 2.582 6.994 1.00 11.13 H new ATOM 0 HG3 PRO A 111 2.597 1.707 5.547 1.00 11.13 H new ATOM 0 HD2 PRO A 111 0.150 3.431 6.015 1.00 3.23 H new ATOM 0 HD3 PRO A 111 1.169 3.339 4.592 1.00 3.23 H new ATOM 1740 N PHE A 112 -1.997 -0.951 6.225 1.00 64.34 N ATOM 1741 CA PHE A 112 -3.188 -1.346 6.982 1.00 21.10 C ATOM 1742 C PHE A 112 -2.888 -2.635 7.734 1.00 25.30 C ATOM 1743 O PHE A 112 -1.846 -3.273 7.525 1.00 50.12 O ATOM 1744 CB PHE A 112 -4.453 -1.488 6.083 1.00 23.13 C ATOM 1745 CG PHE A 112 -4.494 -2.673 5.111 1.00 73.12 C ATOM 1746 CD1 PHE A 112 -3.921 -2.579 3.849 1.00 34.32 C ATOM 1747 CD2 PHE A 112 -5.138 -3.870 5.455 1.00 51.34 C ATOM 1748 CE1 PHE A 112 -3.987 -3.634 2.963 1.00 73.23 C ATOM 1749 CE2 PHE A 112 -5.197 -4.929 4.569 1.00 5.50 C ATOM 1750 CZ PHE A 112 -4.621 -4.810 3.320 1.00 15.11 C ATOM 0 H PHE A 112 -1.632 -1.683 5.615 1.00 64.34 H new ATOM 0 HA PHE A 112 -3.423 -0.554 7.693 1.00 21.10 H new ATOM 0 HB2 PHE A 112 -5.324 -1.556 6.735 1.00 23.13 H new ATOM 0 HB3 PHE A 112 -4.559 -0.572 5.503 1.00 23.13 H new ATOM 0 HD1 PHE A 112 -3.418 -1.669 3.558 1.00 34.32 H new ATOM 0 HD2 PHE A 112 -5.596 -3.966 6.429 1.00 51.34 H new ATOM 0 HE1 PHE A 112 -3.541 -3.541 1.984 1.00 73.23 H new ATOM 0 HE2 PHE A 112 -5.692 -5.846 4.853 1.00 5.50 H new ATOM 0 HZ PHE A 112 -4.665 -5.634 2.623 1.00 15.11 H new ATOM 1760 N ARG A 113 -3.794 -2.994 8.623 1.00 21.54 N ATOM 1761 CA ARG A 113 -3.717 -4.231 9.384 1.00 43.00 C ATOM 1762 C ARG A 113 -5.139 -4.724 9.620 1.00 13.44 C ATOM 1763 O ARG A 113 -5.908 -4.067 10.321 1.00 31.15 O ATOM 1764 CB ARG A 113 -2.989 -3.964 10.719 1.00 1.11 C ATOM 1765 CG ARG A 113 -2.843 -5.205 11.616 1.00 33.32 C ATOM 1766 CD ARG A 113 -2.237 -4.880 12.989 1.00 24.43 C ATOM 1767 NE ARG A 113 -2.063 -6.094 13.802 1.00 50.31 N ATOM 1768 CZ ARG A 113 -2.843 -6.465 14.822 1.00 53.35 C ATOM 1769 NH1 ARG A 113 -3.876 -5.722 15.195 1.00 44.14 N ATOM 1770 NH2 ARG A 113 -2.580 -7.592 15.458 1.00 23.03 N ATOM 0 H ARG A 113 -4.615 -2.430 8.841 1.00 21.54 H new ATOM 0 HA ARG A 113 -3.156 -4.993 8.843 1.00 43.00 H new ATOM 0 HB2 ARG A 113 -1.997 -3.565 10.506 1.00 1.11 H new ATOM 0 HB3 ARG A 113 -3.531 -3.194 11.268 1.00 1.11 H new ATOM 0 HG2 ARG A 113 -3.822 -5.664 11.756 1.00 33.32 H new ATOM 0 HG3 ARG A 113 -2.215 -5.940 11.112 1.00 33.32 H new ATOM 0 HD2 ARG A 113 -1.273 -4.389 12.856 1.00 24.43 H new ATOM 0 HD3 ARG A 113 -2.883 -4.177 13.516 1.00 24.43 H new ATOM 0 HE ARG A 113 -1.280 -6.705 13.567 1.00 50.31 H new ATOM 0 HH11 ARG A 113 -4.085 -4.854 14.701 1.00 44.14 H new ATOM 0 HH12 ARG A 113 -4.462 -6.018 15.975 1.00 44.14 H new ATOM 0 HH21 ARG A 113 -1.789 -8.168 15.169 1.00 23.03 H new ATOM 0 HH22 ARG A 113 -3.168 -7.886 16.238 1.00 23.03 H new ATOM 1784 N ASP A 114 -5.500 -5.877 9.059 1.00 65.23 N ATOM 1785 CA ASP A 114 -6.883 -6.382 9.104 1.00 2.22 C ATOM 1786 C ASP A 114 -6.902 -7.685 9.932 1.00 33.10 C ATOM 1787 O ASP A 114 -5.932 -7.975 10.653 1.00 24.11 O ATOM 1788 CB ASP A 114 -7.422 -6.560 7.654 1.00 74.24 C ATOM 1789 CG ASP A 114 -6.873 -7.804 6.945 1.00 62.54 C ATOM 1790 OD1 ASP A 114 -5.664 -7.851 6.637 1.00 74.32 O ATOM 1791 OD2 ASP A 114 -7.657 -8.742 6.703 1.00 53.05 O ATOM 0 H ASP A 114 -4.852 -6.488 8.562 1.00 65.23 H new ATOM 0 HA ASP A 114 -7.551 -5.674 9.594 1.00 2.22 H new ATOM 0 HB2 ASP A 114 -8.510 -6.619 7.684 1.00 74.24 H new ATOM 0 HB3 ASP A 114 -7.167 -5.676 7.069 1.00 74.24 H new ATOM 1796 N LYS A 115 -7.997 -8.461 9.862 1.00 64.42 N ATOM 1797 CA LYS A 115 -8.148 -9.673 10.698 1.00 64.51 C ATOM 1798 C LYS A 115 -7.407 -10.891 10.109 1.00 31.22 C ATOM 1799 O LYS A 115 -7.091 -11.822 10.857 1.00 63.11 O ATOM 1800 CB LYS A 115 -9.640 -10.003 10.934 1.00 61.40 C ATOM 1801 CG LYS A 115 -10.488 -8.835 11.500 1.00 13.13 C ATOM 1802 CD LYS A 115 -9.954 -8.216 12.818 1.00 34.24 C ATOM 1803 CE LYS A 115 -9.949 -9.211 13.982 1.00 63.14 C ATOM 1804 NZ LYS A 115 -11.298 -9.765 14.274 1.00 2.40 N ATOM 0 H LYS A 115 -8.786 -8.277 9.242 1.00 64.42 H new ATOM 0 HA LYS A 115 -7.685 -9.450 11.659 1.00 64.51 H new ATOM 0 HB2 LYS A 115 -10.079 -10.326 9.990 1.00 61.40 H new ATOM 0 HB3 LYS A 115 -9.706 -10.846 11.622 1.00 61.40 H new ATOM 0 HG2 LYS A 115 -10.548 -8.050 10.746 1.00 13.13 H new ATOM 0 HG3 LYS A 115 -11.504 -9.192 11.669 1.00 13.13 H new ATOM 0 HD2 LYS A 115 -8.941 -7.848 12.657 1.00 34.24 H new ATOM 0 HD3 LYS A 115 -10.567 -7.355 13.084 1.00 34.24 H new ATOM 0 HE2 LYS A 115 -9.268 -10.030 13.751 1.00 63.14 H new ATOM 0 HE3 LYS A 115 -9.563 -8.717 14.874 1.00 63.14 H new ATOM 0 HZ1 LYS A 115 -11.261 -10.324 15.150 1.00 2.40 H new ATOM 0 HZ2 LYS A 115 -11.976 -8.985 14.389 1.00 2.40 H new ATOM 0 HZ3 LYS A 115 -11.601 -10.374 13.487 1.00 2.40 H new ATOM 1818 N THR A 116 -7.117 -10.886 8.788 1.00 71.24 N ATOM 1819 CA THR A 116 -6.339 -11.975 8.155 1.00 25.32 C ATOM 1820 C THR A 116 -4.861 -11.868 8.563 1.00 64.55 C ATOM 1821 O THR A 116 -4.160 -12.883 8.628 1.00 4.53 O ATOM 1822 CB THR A 116 -6.423 -11.987 6.585 1.00 53.34 C ATOM 1823 OG1 THR A 116 -5.734 -10.857 6.022 1.00 24.51 O ATOM 1824 CG2 THR A 116 -7.877 -12.023 6.076 1.00 13.25 C ATOM 0 H THR A 116 -7.406 -10.148 8.146 1.00 71.24 H new ATOM 0 HA THR A 116 -6.785 -12.904 8.511 1.00 25.32 H new ATOM 0 HB THR A 116 -5.934 -12.904 6.256 1.00 53.34 H new ATOM 0 HG1 THR A 116 -6.322 -10.073 6.040 1.00 24.51 H new ATOM 0 HG21 THR A 116 -7.881 -12.030 4.986 1.00 13.25 H new ATOM 0 HG22 THR A 116 -8.370 -12.922 6.446 1.00 13.25 H new ATOM 0 HG23 THR A 116 -8.410 -11.143 6.435 1.00 13.25 H new ATOM 1832 N THR A 117 -4.416 -10.617 8.832 1.00 63.13 N ATOM 1833 CA THR A 117 -3.052 -10.299 9.279 1.00 15.55 C ATOM 1834 C THR A 117 -2.721 -11.079 10.572 1.00 35.44 C ATOM 1835 O THR A 117 -3.339 -10.851 11.616 1.00 25.45 O ATOM 1836 CB THR A 117 -2.902 -8.754 9.518 1.00 54.41 C ATOM 1837 OG1 THR A 117 -3.208 -8.036 8.311 1.00 62.53 O ATOM 1838 CG2 THR A 117 -1.491 -8.361 9.988 1.00 74.13 C ATOM 0 H THR A 117 -5.010 -9.792 8.741 1.00 63.13 H new ATOM 0 HA THR A 117 -2.349 -10.598 8.501 1.00 15.55 H new ATOM 0 HB THR A 117 -3.604 -8.490 10.309 1.00 54.41 H new ATOM 0 HG1 THR A 117 -4.127 -8.235 8.036 1.00 62.53 H new ATOM 0 HG21 THR A 117 -1.445 -7.282 10.137 1.00 74.13 H new ATOM 0 HG22 THR A 117 -1.266 -8.867 10.927 1.00 74.13 H new ATOM 0 HG23 THR A 117 -0.761 -8.654 9.233 1.00 74.13 H new ATOM 1846 N GLY A 118 -1.757 -12.007 10.468 1.00 14.23 N ATOM 1847 CA GLY A 118 -1.408 -12.928 11.558 1.00 40.11 C ATOM 1848 C GLY A 118 -1.994 -14.323 11.374 1.00 3.53 C ATOM 1849 O GLY A 118 -1.326 -15.321 11.658 1.00 12.01 O ATOM 0 H GLY A 118 -1.198 -12.139 9.625 1.00 14.23 H new ATOM 0 HA2 GLY A 118 -0.323 -13.003 11.629 1.00 40.11 H new ATOM 0 HA3 GLY A 118 -1.761 -12.514 12.502 1.00 40.11 H new ATOM 1853 N GLN A 119 -3.255 -14.399 10.910 1.00 21.25 N ATOM 1854 CA GLN A 119 -3.971 -15.679 10.704 1.00 21.33 C ATOM 1855 C GLN A 119 -3.541 -16.323 9.364 1.00 64.34 C ATOM 1856 O GLN A 119 -2.609 -17.134 9.331 1.00 5.33 O ATOM 1857 CB GLN A 119 -5.516 -15.456 10.747 1.00 61.42 C ATOM 1858 CG GLN A 119 -6.064 -14.863 12.065 1.00 65.04 C ATOM 1859 CD GLN A 119 -5.913 -15.782 13.288 1.00 71.10 C ATOM 1860 OE1 GLN A 119 -5.932 -17.009 13.170 1.00 51.04 O ATOM 1861 NE2 GLN A 119 -5.797 -15.196 14.472 1.00 4.42 N ATOM 0 H GLN A 119 -3.809 -13.578 10.667 1.00 21.25 H new ATOM 0 HA GLN A 119 -3.707 -16.362 11.512 1.00 21.33 H new ATOM 0 HB2 GLN A 119 -5.793 -14.793 9.927 1.00 61.42 H new ATOM 0 HB3 GLN A 119 -6.009 -16.411 10.565 1.00 61.42 H new ATOM 0 HG2 GLN A 119 -5.551 -13.923 12.267 1.00 65.04 H new ATOM 0 HG3 GLN A 119 -7.120 -14.627 11.931 1.00 65.04 H new ATOM 0 HE21 GLN A 119 -5.784 -14.178 14.538 1.00 4.42 H new ATOM 0 HE22 GLN A 119 -5.721 -15.763 15.316 1.00 4.42 H new ATOM 1870 N GLN A 120 -4.197 -15.915 8.253 1.00 15.21 N ATOM 1871 CA GLN A 120 -3.930 -16.440 6.887 1.00 64.31 C ATOM 1872 C GLN A 120 -3.131 -15.417 6.051 1.00 13.40 C ATOM 1873 O GLN A 120 -2.987 -15.562 4.841 1.00 23.55 O ATOM 1874 CB GLN A 120 -5.251 -16.865 6.159 1.00 41.03 C ATOM 1875 CG GLN A 120 -6.462 -15.910 6.312 1.00 14.52 C ATOM 1876 CD GLN A 120 -7.240 -16.099 7.632 1.00 54.01 C ATOM 1877 OE1 GLN A 120 -7.914 -15.062 8.099 1.00 24.12 O flip ATOM 1878 NE2 GLN A 120 -7.268 -17.189 8.206 1.00 23.01 N flip ATOM 0 H GLN A 120 -4.932 -15.208 8.276 1.00 15.21 H new ATOM 0 HA GLN A 120 -3.321 -17.338 6.993 1.00 64.31 H new ATOM 0 HB2 GLN A 120 -5.035 -16.975 5.096 1.00 41.03 H new ATOM 0 HB3 GLN A 120 -5.543 -17.848 6.528 1.00 41.03 H new ATOM 0 HG2 GLN A 120 -6.111 -14.880 6.252 1.00 14.52 H new ATOM 0 HG3 GLN A 120 -7.143 -16.064 5.475 1.00 14.52 H new ATOM 0 HE21 GLN A 120 -6.741 -17.977 7.830 1.00 23.01 H new ATOM 0 HE22 GLN A 120 -7.818 -17.303 9.057 1.00 23.01 H new ATOM 1887 N SER A 121 -2.603 -14.396 6.727 1.00 52.21 N ATOM 1888 CA SER A 121 -1.612 -13.455 6.180 1.00 72.11 C ATOM 1889 C SER A 121 -0.498 -13.287 7.219 1.00 65.33 C ATOM 1890 O SER A 121 -0.660 -13.705 8.373 1.00 24.45 O ATOM 1891 CB SER A 121 -2.263 -12.085 5.838 1.00 0.34 C ATOM 1892 OG SER A 121 -3.275 -12.221 4.852 1.00 61.43 O ATOM 0 H SER A 121 -2.856 -14.191 7.694 1.00 52.21 H new ATOM 0 HA SER A 121 -1.203 -13.849 5.250 1.00 72.11 H new ATOM 0 HB2 SER A 121 -2.690 -11.648 6.741 1.00 0.34 H new ATOM 0 HB3 SER A 121 -1.497 -11.396 5.482 1.00 0.34 H new ATOM 0 HG SER A 121 -4.101 -11.800 5.171 1.00 61.43 H new ATOM 1898 N TYR A 122 0.638 -12.719 6.799 1.00 35.10 N ATOM 1899 CA TYR A 122 1.750 -12.391 7.712 1.00 1.44 C ATOM 1900 C TYR A 122 1.306 -11.323 8.739 1.00 43.42 C ATOM 1901 O TYR A 122 0.482 -10.459 8.417 1.00 40.22 O ATOM 1902 CB TYR A 122 2.998 -11.920 6.900 1.00 63.14 C ATOM 1903 CG TYR A 122 4.178 -11.443 7.774 1.00 53.13 C ATOM 1904 CD1 TYR A 122 4.872 -12.328 8.606 1.00 3.54 C ATOM 1905 CD2 TYR A 122 4.559 -10.102 7.804 1.00 71.30 C ATOM 1906 CE1 TYR A 122 5.897 -11.890 9.417 1.00 54.22 C ATOM 1907 CE2 TYR A 122 5.580 -9.663 8.625 1.00 51.40 C ATOM 1908 CZ TYR A 122 6.245 -10.561 9.426 1.00 14.43 C ATOM 1909 OH TYR A 122 7.263 -10.128 10.239 1.00 52.14 O ATOM 0 H TYR A 122 0.816 -12.473 5.825 1.00 35.10 H new ATOM 0 HA TYR A 122 2.031 -13.287 8.265 1.00 1.44 H new ATOM 0 HB2 TYR A 122 3.337 -12.741 6.268 1.00 63.14 H new ATOM 0 HB3 TYR A 122 2.701 -11.108 6.236 1.00 63.14 H new ATOM 0 HD1 TYR A 122 4.600 -13.373 8.613 1.00 3.54 H new ATOM 0 HD2 TYR A 122 4.046 -9.392 7.173 1.00 71.30 H new ATOM 0 HE1 TYR A 122 6.426 -12.591 10.045 1.00 54.22 H new ATOM 0 HE2 TYR A 122 5.855 -8.619 8.637 1.00 51.40 H new ATOM 0 HH TYR A 122 7.915 -10.850 10.360 1.00 52.14 H new ATOM 1919 N ASP A 123 1.856 -11.416 9.966 1.00 12.31 N ATOM 1920 CA ASP A 123 1.540 -10.503 11.091 1.00 4.43 C ATOM 1921 C ASP A 123 2.165 -9.102 10.890 1.00 32.44 C ATOM 1922 O ASP A 123 2.684 -8.789 9.815 1.00 3.35 O ATOM 1923 CB ASP A 123 1.993 -11.135 12.438 1.00 50.23 C ATOM 1924 CG ASP A 123 3.512 -11.374 12.528 1.00 75.10 C ATOM 1925 OD1 ASP A 123 3.985 -12.446 12.083 1.00 75.20 O ATOM 1926 OD2 ASP A 123 4.239 -10.502 13.056 1.00 24.43 O ATOM 0 H ASP A 123 2.539 -12.133 10.210 1.00 12.31 H new ATOM 0 HA ASP A 123 0.459 -10.364 11.118 1.00 4.43 H new ATOM 0 HB2 ASP A 123 1.687 -10.483 13.256 1.00 50.23 H new ATOM 0 HB3 ASP A 123 1.476 -12.084 12.576 1.00 50.23 H new ATOM 1931 N GLY A 124 2.095 -8.260 11.935 1.00 63.51 N ATOM 1932 CA GLY A 124 2.525 -6.869 11.841 1.00 31.11 C ATOM 1933 C GLY A 124 1.512 -6.043 11.074 1.00 40.32 C ATOM 1934 O GLY A 124 0.615 -5.446 11.670 1.00 15.12 O ATOM 0 H GLY A 124 1.742 -8.527 12.854 1.00 63.51 H new ATOM 0 HA2 GLY A 124 2.655 -6.456 12.841 1.00 31.11 H new ATOM 0 HA3 GLY A 124 3.494 -6.816 11.345 1.00 31.11 H new ATOM 1938 N GLY A 125 1.650 -6.044 9.746 1.00 22.44 N ATOM 1939 CA GLY A 125 0.692 -5.412 8.851 1.00 21.15 C ATOM 1940 C GLY A 125 0.961 -5.772 7.398 1.00 33.43 C ATOM 1941 O GLY A 125 1.934 -6.472 7.083 1.00 23.13 O ATOM 0 H GLY A 125 2.433 -6.486 9.265 1.00 22.44 H new ATOM 0 HA2 GLY A 125 -0.318 -5.720 9.122 1.00 21.15 H new ATOM 0 HA3 GLY A 125 0.738 -4.330 8.973 1.00 21.15 H new ATOM 1945 N ARG A 126 0.085 -5.286 6.517 1.00 63.01 N ATOM 1946 CA ARG A 126 0.222 -5.400 5.055 1.00 52.44 C ATOM 1947 C ARG A 126 0.076 -3.988 4.489 1.00 61.21 C ATOM 1948 O ARG A 126 -0.879 -3.294 4.841 1.00 24.04 O ATOM 1949 CB ARG A 126 -0.888 -6.326 4.466 1.00 45.42 C ATOM 1950 CG ARG A 126 -0.811 -7.803 4.914 1.00 52.45 C ATOM 1951 CD ARG A 126 0.450 -8.527 4.392 1.00 11.54 C ATOM 1952 NE ARG A 126 0.516 -8.528 2.909 1.00 51.03 N ATOM 1953 CZ ARG A 126 -0.071 -9.438 2.098 1.00 54.25 C ATOM 1954 NH1 ARG A 126 -0.788 -10.448 2.603 1.00 44.34 N ATOM 1955 NH2 ARG A 126 0.070 -9.338 0.784 1.00 3.31 N ATOM 0 H ARG A 126 -0.760 -4.790 6.801 1.00 63.01 H new ATOM 0 HA ARG A 126 1.185 -5.837 4.793 1.00 52.44 H new ATOM 0 HB2 ARG A 126 -1.862 -5.926 4.749 1.00 45.42 H new ATOM 0 HB3 ARG A 126 -0.832 -6.288 3.378 1.00 45.42 H new ATOM 0 HG2 ARG A 126 -0.824 -7.848 6.003 1.00 52.45 H new ATOM 0 HG3 ARG A 126 -1.698 -8.330 4.562 1.00 52.45 H new ATOM 0 HD2 ARG A 126 1.339 -8.042 4.794 1.00 11.54 H new ATOM 0 HD3 ARG A 126 0.455 -9.554 4.756 1.00 11.54 H new ATOM 0 HE ARG A 126 1.048 -7.780 2.464 1.00 51.03 H new ATOM 0 HH11 ARG A 126 -0.898 -10.540 3.613 1.00 44.34 H new ATOM 0 HH12 ARG A 126 -1.224 -11.126 1.978 1.00 44.34 H new ATOM 0 HH21 ARG A 126 0.620 -8.576 0.387 1.00 3.31 H new ATOM 0 HH22 ARG A 126 -0.371 -10.023 0.170 1.00 3.31 H new ATOM 1969 N TYR A 127 0.986 -3.559 3.606 1.00 2.22 N ATOM 1970 CA TYR A 127 0.922 -2.196 3.052 1.00 53.13 C ATOM 1971 C TYR A 127 0.332 -2.243 1.646 1.00 71.22 C ATOM 1972 O TYR A 127 0.777 -3.010 0.795 1.00 13.12 O ATOM 1973 CB TYR A 127 2.311 -1.500 3.069 1.00 55.21 C ATOM 1974 CG TYR A 127 3.435 -2.223 2.298 1.00 73.20 C ATOM 1975 CD1 TYR A 127 4.177 -3.242 2.893 1.00 54.40 C ATOM 1976 CD2 TYR A 127 3.769 -1.866 0.983 1.00 32.12 C ATOM 1977 CE1 TYR A 127 5.191 -3.872 2.210 1.00 51.33 C ATOM 1978 CE2 TYR A 127 4.791 -2.498 0.309 1.00 64.35 C ATOM 1979 CZ TYR A 127 5.499 -3.499 0.928 1.00 53.44 C ATOM 1980 OH TYR A 127 6.514 -4.142 0.262 1.00 34.53 O ATOM 0 H TYR A 127 1.764 -4.123 3.263 1.00 2.22 H new ATOM 0 HA TYR A 127 0.270 -1.594 3.685 1.00 53.13 H new ATOM 0 HB2 TYR A 127 2.199 -0.498 2.655 1.00 55.21 H new ATOM 0 HB3 TYR A 127 2.625 -1.383 4.106 1.00 55.21 H new ATOM 0 HD1 TYR A 127 3.952 -3.541 3.906 1.00 54.40 H new ATOM 0 HD2 TYR A 127 3.215 -1.081 0.490 1.00 32.12 H new ATOM 0 HE1 TYR A 127 5.748 -4.665 2.687 1.00 51.33 H new ATOM 0 HE2 TYR A 127 5.034 -2.207 -0.702 1.00 64.35 H new ATOM 0 HH TYR A 127 7.366 -3.700 0.459 1.00 34.53 H new ATOM 1990 N MET A 128 -0.693 -1.428 1.440 1.00 41.15 N ATOM 1991 CA MET A 128 -1.345 -1.233 0.146 1.00 70.13 C ATOM 1992 C MET A 128 -0.780 0.065 -0.453 1.00 13.35 C ATOM 1993 O MET A 128 -0.428 0.982 0.299 1.00 54.14 O ATOM 1994 CB MET A 128 -2.893 -1.188 0.376 1.00 14.25 C ATOM 1995 CG MET A 128 -3.734 -1.650 -0.818 1.00 13.13 C ATOM 1996 SD MET A 128 -3.840 -0.426 -2.134 1.00 41.35 S ATOM 1997 CE MET A 128 -5.154 0.612 -1.517 1.00 2.04 C ATOM 0 H MET A 128 -1.107 -0.868 2.185 1.00 41.15 H new ATOM 0 HA MET A 128 -1.153 -2.043 -0.557 1.00 70.13 H new ATOM 0 HB2 MET A 128 -3.136 -1.811 1.237 1.00 14.25 H new ATOM 0 HB3 MET A 128 -3.179 -0.167 0.630 1.00 14.25 H new ATOM 0 HG2 MET A 128 -3.307 -2.569 -1.220 1.00 13.13 H new ATOM 0 HG3 MET A 128 -4.740 -1.890 -0.473 1.00 13.13 H new ATOM 0 HE1 MET A 128 -5.986 0.602 -2.221 1.00 2.04 H new ATOM 0 HE2 MET A 128 -5.491 0.236 -0.551 1.00 2.04 H new ATOM 0 HE3 MET A 128 -4.788 1.632 -1.402 1.00 2.04 H new ATOM 2007 N GLU A 129 -0.625 0.138 -1.781 1.00 12.21 N ATOM 2008 CA GLU A 129 0.026 1.295 -2.438 1.00 70.12 C ATOM 2009 C GLU A 129 -0.796 1.784 -3.647 1.00 22.23 C ATOM 2010 O GLU A 129 -1.169 0.992 -4.521 1.00 53.20 O ATOM 2011 CB GLU A 129 1.457 0.879 -2.860 1.00 43.40 C ATOM 2012 CG GLU A 129 2.311 1.964 -3.538 1.00 1.13 C ATOM 2013 CD GLU A 129 3.705 1.442 -3.934 1.00 43.23 C ATOM 2014 OE1 GLU A 129 3.815 0.720 -4.952 1.00 1.30 O ATOM 2015 OE2 GLU A 129 4.692 1.716 -3.216 1.00 12.43 O ATOM 0 H GLU A 129 -0.939 -0.586 -2.427 1.00 12.21 H new ATOM 0 HA GLU A 129 0.082 2.130 -1.739 1.00 70.12 H new ATOM 0 HB2 GLU A 129 1.987 0.531 -1.974 1.00 43.40 H new ATOM 0 HB3 GLU A 129 1.380 0.030 -3.539 1.00 43.40 H new ATOM 0 HG2 GLU A 129 1.795 2.328 -4.426 1.00 1.13 H new ATOM 0 HG3 GLU A 129 2.421 2.813 -2.863 1.00 1.13 H new ATOM 2022 N LEU A 130 -1.071 3.104 -3.672 1.00 42.23 N ATOM 2023 CA LEU A 130 -1.798 3.781 -4.761 1.00 24.43 C ATOM 2024 C LEU A 130 -0.874 4.832 -5.373 1.00 63.34 C ATOM 2025 O LEU A 130 -0.023 5.386 -4.673 1.00 12.44 O ATOM 2026 CB LEU A 130 -3.112 4.487 -4.255 1.00 2.12 C ATOM 2027 CG LEU A 130 -3.871 3.816 -3.062 1.00 21.23 C ATOM 2028 CD1 LEU A 130 -3.223 4.173 -1.706 1.00 41.51 C ATOM 2029 CD2 LEU A 130 -5.358 4.193 -3.061 1.00 11.42 C ATOM 0 H LEU A 130 -0.789 3.738 -2.924 1.00 42.23 H new ATOM 0 HA LEU A 130 -2.091 3.029 -5.493 1.00 24.43 H new ATOM 0 HB2 LEU A 130 -2.857 5.506 -3.963 1.00 2.12 H new ATOM 0 HB3 LEU A 130 -3.802 4.560 -5.096 1.00 2.12 H new ATOM 0 HG LEU A 130 -3.794 2.738 -3.200 1.00 21.23 H new ATOM 0 HD11 LEU A 130 -3.776 3.690 -0.900 1.00 41.51 H new ATOM 0 HD12 LEU A 130 -2.189 3.828 -1.695 1.00 41.51 H new ATOM 0 HD13 LEU A 130 -3.246 5.254 -1.565 1.00 41.51 H new ATOM 0 HD21 LEU A 130 -5.855 3.710 -2.220 1.00 11.42 H new ATOM 0 HD22 LEU A 130 -5.459 5.274 -2.970 1.00 11.42 H new ATOM 0 HD23 LEU A 130 -5.818 3.863 -3.992 1.00 11.42 H new ATOM 2041 N GLU A 131 -1.037 5.103 -6.675 1.00 32.22 N ATOM 2042 CA GLU A 131 -0.345 6.211 -7.369 1.00 60.52 C ATOM 2043 C GLU A 131 -1.352 6.906 -8.305 1.00 61.23 C ATOM 2044 O GLU A 131 -1.656 6.365 -9.373 1.00 63.43 O ATOM 2045 CB GLU A 131 0.901 5.708 -8.158 1.00 2.31 C ATOM 2046 CG GLU A 131 1.990 5.067 -7.279 1.00 21.34 C ATOM 2047 CD GLU A 131 3.260 4.720 -8.054 1.00 21.22 C ATOM 2048 OE1 GLU A 131 3.347 3.602 -8.605 1.00 22.10 O ATOM 2049 OE2 GLU A 131 4.180 5.566 -8.116 1.00 71.34 O ATOM 0 H GLU A 131 -1.652 4.562 -7.283 1.00 32.22 H new ATOM 0 HA GLU A 131 0.024 6.922 -6.630 1.00 60.52 H new ATOM 0 HB2 GLU A 131 0.576 4.981 -8.902 1.00 2.31 H new ATOM 0 HB3 GLU A 131 1.336 6.547 -8.701 1.00 2.31 H new ATOM 0 HG2 GLU A 131 2.242 5.750 -6.468 1.00 21.34 H new ATOM 0 HG3 GLU A 131 1.592 4.161 -6.821 1.00 21.34 H new ATOM 2056 N PRO A 132 -1.942 8.075 -7.882 1.00 22.03 N ATOM 2057 CA PRO A 132 -2.892 8.856 -8.715 1.00 3.20 C ATOM 2058 C PRO A 132 -2.234 9.492 -9.960 1.00 4.41 C ATOM 2059 O PRO A 132 -1.021 9.753 -9.992 1.00 50.00 O ATOM 2060 CB PRO A 132 -3.427 9.937 -7.732 1.00 65.51 C ATOM 2061 CG PRO A 132 -2.327 10.094 -6.733 1.00 4.24 C ATOM 2062 CD PRO A 132 -1.763 8.707 -6.547 1.00 51.23 C ATOM 0 HA PRO A 132 -3.676 8.226 -9.135 1.00 3.20 H new ATOM 0 HB2 PRO A 132 -3.636 10.875 -8.246 1.00 65.51 H new ATOM 0 HB3 PRO A 132 -4.355 9.620 -7.257 1.00 65.51 H new ATOM 0 HG2 PRO A 132 -1.564 10.785 -7.092 1.00 4.24 H new ATOM 0 HG3 PRO A 132 -2.703 10.496 -5.792 1.00 4.24 H new ATOM 0 HD2 PRO A 132 -0.713 8.737 -6.255 1.00 51.23 H new ATOM 0 HD3 PRO A 132 -2.295 8.159 -5.769 1.00 51.23 H new ATOM 2070 N ASP A 133 -3.081 9.761 -10.968 1.00 2.23 N ATOM 2071 CA ASP A 133 -2.684 10.369 -12.262 1.00 63.34 C ATOM 2072 C ASP A 133 -2.605 11.910 -12.125 1.00 52.14 C ATOM 2073 O ASP A 133 -2.163 12.624 -13.031 1.00 52.45 O ATOM 2074 CB ASP A 133 -3.705 9.930 -13.350 1.00 73.23 C ATOM 2075 CG ASP A 133 -3.343 10.372 -14.781 1.00 25.25 C ATOM 2076 OD1 ASP A 133 -2.375 9.826 -15.355 1.00 73.23 O ATOM 2077 OD2 ASP A 133 -4.017 11.271 -15.337 1.00 75.41 O ATOM 0 H ASP A 133 -4.080 9.561 -10.911 1.00 2.23 H new ATOM 0 HA ASP A 133 -1.693 10.025 -12.558 1.00 63.34 H new ATOM 0 HB2 ASP A 133 -3.793 8.844 -13.330 1.00 73.23 H new ATOM 0 HB3 ASP A 133 -4.685 10.334 -13.095 1.00 73.23 H new ATOM 2082 N ARG A 134 -2.985 12.392 -10.934 1.00 20.33 N ATOM 2083 CA ARG A 134 -2.994 13.805 -10.562 1.00 63.34 C ATOM 2084 C ARG A 134 -2.535 13.930 -9.101 1.00 63.34 C ATOM 2085 O ARG A 134 -2.484 12.930 -8.375 1.00 43.02 O ATOM 2086 CB ARG A 134 -4.418 14.385 -10.705 1.00 64.35 C ATOM 2087 CG ARG A 134 -5.494 13.600 -9.904 1.00 51.52 C ATOM 2088 CD ARG A 134 -6.700 14.463 -9.551 1.00 52.41 C ATOM 2089 NE ARG A 134 -7.755 13.724 -8.843 1.00 73.30 N ATOM 2090 CZ ARG A 134 -8.860 13.212 -9.392 1.00 33.21 C ATOM 2091 NH1 ARG A 134 -9.104 13.331 -10.695 1.00 22.12 N ATOM 2092 NH2 ARG A 134 -9.723 12.588 -8.613 1.00 50.30 N ATOM 0 H ARG A 134 -3.305 11.784 -10.180 1.00 20.33 H new ATOM 0 HA ARG A 134 -2.323 14.359 -11.218 1.00 63.34 H new ATOM 0 HB2 ARG A 134 -4.414 15.423 -10.371 1.00 64.35 H new ATOM 0 HB3 ARG A 134 -4.695 14.391 -11.759 1.00 64.35 H new ATOM 0 HG2 ARG A 134 -5.824 12.741 -10.489 1.00 51.52 H new ATOM 0 HG3 ARG A 134 -5.049 13.210 -8.988 1.00 51.52 H new ATOM 0 HD2 ARG A 134 -6.372 15.298 -8.932 1.00 52.41 H new ATOM 0 HD3 ARG A 134 -7.114 14.888 -10.465 1.00 52.41 H new ATOM 0 HE ARG A 134 -7.632 13.590 -7.839 1.00 73.30 H new ATOM 0 HH11 ARG A 134 -8.441 13.821 -11.295 1.00 22.12 H new ATOM 0 HH12 ARG A 134 -9.954 12.932 -11.093 1.00 22.12 H new ATOM 0 HH21 ARG A 134 -9.540 12.504 -7.613 1.00 50.30 H new ATOM 0 HH22 ARG A 134 -10.573 12.189 -9.011 1.00 50.30 H new ATOM 2106 N ASP A 135 -2.200 15.147 -8.664 1.00 23.14 N ATOM 2107 CA ASP A 135 -1.869 15.399 -7.250 1.00 22.33 C ATOM 2108 C ASP A 135 -3.181 15.580 -6.464 1.00 34.30 C ATOM 2109 O ASP A 135 -4.084 16.291 -6.922 1.00 73.10 O ATOM 2110 CB ASP A 135 -0.948 16.632 -7.100 1.00 13.45 C ATOM 2111 CG ASP A 135 -0.618 16.974 -5.630 1.00 52.33 C ATOM 2112 OD1 ASP A 135 -0.135 16.077 -4.898 1.00 40.21 O ATOM 2113 OD2 ASP A 135 -0.832 18.134 -5.208 1.00 43.23 O ATOM 0 H ASP A 135 -2.150 15.972 -9.262 1.00 23.14 H new ATOM 0 HA ASP A 135 -1.319 14.548 -6.847 1.00 22.33 H new ATOM 0 HB2 ASP A 135 -0.019 16.451 -7.641 1.00 13.45 H new ATOM 0 HB3 ASP A 135 -1.426 17.493 -7.567 1.00 13.45 H new ATOM 2118 N LEU A 136 -3.277 14.923 -5.295 1.00 64.22 N ATOM 2119 CA LEU A 136 -4.514 14.867 -4.489 1.00 74.50 C ATOM 2120 C LEU A 136 -4.463 15.892 -3.351 1.00 73.22 C ATOM 2121 O LEU A 136 -3.452 16.007 -2.650 1.00 64.53 O ATOM 2122 CB LEU A 136 -4.730 13.440 -3.916 1.00 12.00 C ATOM 2123 CG LEU A 136 -4.777 12.281 -4.957 1.00 5.42 C ATOM 2124 CD1 LEU A 136 -5.161 10.948 -4.282 1.00 24.44 C ATOM 2125 CD2 LEU A 136 -5.724 12.600 -6.133 1.00 51.51 C ATOM 0 H LEU A 136 -2.497 14.413 -4.879 1.00 64.22 H new ATOM 0 HA LEU A 136 -5.354 15.111 -5.139 1.00 74.50 H new ATOM 0 HB2 LEU A 136 -3.930 13.231 -3.206 1.00 12.00 H new ATOM 0 HB3 LEU A 136 -5.664 13.434 -3.354 1.00 12.00 H new ATOM 0 HG LEU A 136 -3.774 12.177 -5.371 1.00 5.42 H new ATOM 0 HD11 LEU A 136 -5.187 10.156 -5.030 1.00 24.44 H new ATOM 0 HD12 LEU A 136 -4.424 10.702 -3.518 1.00 24.44 H new ATOM 0 HD13 LEU A 136 -6.144 11.044 -3.821 1.00 24.44 H new ATOM 0 HD21 LEU A 136 -5.727 11.766 -6.835 1.00 51.51 H new ATOM 0 HD22 LEU A 136 -6.734 12.759 -5.754 1.00 51.51 H new ATOM 0 HD23 LEU A 136 -5.382 13.501 -6.642 1.00 51.51 H new ATOM 2137 N SER A 137 -5.572 16.623 -3.182 1.00 21.25 N ATOM 2138 CA SER A 137 -5.760 17.606 -2.106 1.00 71.34 C ATOM 2139 C SER A 137 -6.899 17.140 -1.190 1.00 22.41 C ATOM 2140 O SER A 137 -7.602 16.168 -1.502 1.00 64.11 O ATOM 2141 CB SER A 137 -6.060 19.000 -2.711 1.00 45.25 C ATOM 2142 OG SER A 137 -7.192 18.963 -3.566 1.00 0.40 O ATOM 0 H SER A 137 -6.379 16.547 -3.801 1.00 21.25 H new ATOM 0 HA SER A 137 -4.849 17.688 -1.513 1.00 71.34 H new ATOM 0 HB2 SER A 137 -6.232 19.717 -1.908 1.00 45.25 H new ATOM 0 HB3 SER A 137 -5.192 19.350 -3.270 1.00 45.25 H new ATOM 0 HG SER A 137 -7.356 19.858 -3.930 1.00 0.40 H new ATOM 2148 N ASP A 138 -7.063 17.813 -0.045 1.00 52.55 N ATOM 2149 CA ASP A 138 -8.176 17.540 0.877 1.00 73.14 C ATOM 2150 C ASP A 138 -9.513 17.914 0.201 1.00 20.24 C ATOM 2151 O ASP A 138 -9.723 19.066 -0.194 1.00 25.03 O ATOM 2152 CB ASP A 138 -7.976 18.276 2.228 1.00 42.34 C ATOM 2153 CG ASP A 138 -7.841 19.797 2.083 1.00 23.43 C ATOM 2154 OD1 ASP A 138 -6.738 20.268 1.734 1.00 42.14 O ATOM 2155 OD2 ASP A 138 -8.830 20.528 2.318 1.00 52.44 O ATOM 0 H ASP A 138 -6.436 18.555 0.268 1.00 52.55 H new ATOM 0 HA ASP A 138 -8.199 16.475 1.106 1.00 73.14 H new ATOM 0 HB2 ASP A 138 -8.820 18.055 2.881 1.00 42.34 H new ATOM 0 HB3 ASP A 138 -7.084 17.885 2.717 1.00 42.34 H new ATOM 2160 N GLY A 139 -10.361 16.899 -0.019 1.00 14.15 N ATOM 2161 CA GLY A 139 -11.668 17.078 -0.676 1.00 3.34 C ATOM 2162 C GLY A 139 -11.745 16.329 -1.998 1.00 14.03 C ATOM 2163 O GLY A 139 -12.840 16.047 -2.496 1.00 21.42 O ATOM 0 H GLY A 139 -10.164 15.935 0.251 1.00 14.15 H new ATOM 0 HA2 GLY A 139 -12.459 16.727 -0.013 1.00 3.34 H new ATOM 0 HA3 GLY A 139 -11.845 18.139 -0.849 1.00 3.34 H new ATOM 2167 N ASP A 140 -10.566 16.023 -2.568 1.00 43.23 N ATOM 2168 CA ASP A 140 -10.428 15.182 -3.778 1.00 63.32 C ATOM 2169 C ASP A 140 -10.752 13.717 -3.403 1.00 1.41 C ATOM 2170 O ASP A 140 -10.709 13.371 -2.228 1.00 70.40 O ATOM 2171 CB ASP A 140 -8.976 15.303 -4.337 1.00 2.11 C ATOM 2172 CG ASP A 140 -8.838 14.848 -5.803 1.00 14.32 C ATOM 2173 OD1 ASP A 140 -8.838 13.632 -6.056 1.00 44.41 O ATOM 2174 OD2 ASP A 140 -8.723 15.709 -6.709 1.00 62.11 O ATOM 0 H ASP A 140 -9.673 16.353 -2.202 1.00 43.23 H new ATOM 0 HA ASP A 140 -11.120 15.514 -4.552 1.00 63.32 H new ATOM 0 HB2 ASP A 140 -8.650 16.340 -4.255 1.00 2.11 H new ATOM 0 HB3 ASP A 140 -8.306 14.708 -3.716 1.00 2.11 H new ATOM 2179 N GLU A 141 -11.096 12.865 -4.383 1.00 15.25 N ATOM 2180 CA GLU A 141 -11.430 11.439 -4.128 1.00 23.52 C ATOM 2181 C GLU A 141 -10.318 10.510 -4.629 1.00 44.51 C ATOM 2182 O GLU A 141 -9.502 10.893 -5.473 1.00 33.14 O ATOM 2183 CB GLU A 141 -12.776 11.082 -4.804 1.00 60.42 C ATOM 2184 CG GLU A 141 -13.928 12.019 -4.424 1.00 21.13 C ATOM 2185 CD GLU A 141 -15.218 11.711 -5.188 1.00 0.05 C ATOM 2186 OE1 GLU A 141 -15.318 12.089 -6.377 1.00 32.15 O ATOM 2187 OE2 GLU A 141 -16.118 11.071 -4.622 1.00 20.30 O ATOM 0 H GLU A 141 -11.152 13.133 -5.366 1.00 15.25 H new ATOM 0 HA GLU A 141 -11.523 11.298 -3.051 1.00 23.52 H new ATOM 0 HB2 GLU A 141 -12.645 11.103 -5.886 1.00 60.42 H new ATOM 0 HB3 GLU A 141 -13.047 10.061 -4.535 1.00 60.42 H new ATOM 0 HG2 GLU A 141 -14.117 11.940 -3.353 1.00 21.13 H new ATOM 0 HG3 GLU A 141 -13.632 13.050 -4.620 1.00 21.13 H new ATOM 2194 N ILE A 142 -10.334 9.267 -4.129 1.00 60.02 N ATOM 2195 CA ILE A 142 -9.310 8.254 -4.419 1.00 74.51 C ATOM 2196 C ILE A 142 -9.938 6.833 -4.312 1.00 24.15 C ATOM 2197 O ILE A 142 -10.795 6.579 -3.452 1.00 63.33 O ATOM 2198 CB ILE A 142 -8.068 8.417 -3.457 1.00 12.04 C ATOM 2199 CG1 ILE A 142 -6.925 7.398 -3.796 1.00 62.15 C ATOM 2200 CG2 ILE A 142 -8.487 8.328 -1.967 1.00 54.33 C ATOM 2201 CD1 ILE A 142 -6.337 7.514 -5.205 1.00 23.21 C ATOM 0 H ILE A 142 -11.067 8.933 -3.504 1.00 60.02 H new ATOM 0 HA ILE A 142 -8.945 8.393 -5.437 1.00 74.51 H new ATOM 0 HB ILE A 142 -7.664 9.415 -3.624 1.00 12.04 H new ATOM 0 HG12 ILE A 142 -6.120 7.528 -3.073 1.00 62.15 H new ATOM 0 HG13 ILE A 142 -7.312 6.387 -3.664 1.00 62.15 H new ATOM 0 HG21 ILE A 142 -7.607 8.444 -1.334 1.00 54.33 H new ATOM 0 HG22 ILE A 142 -9.203 9.119 -1.742 1.00 54.33 H new ATOM 0 HG23 ILE A 142 -8.946 7.358 -1.775 1.00 54.33 H new ATOM 0 HD11 ILE A 142 -5.556 6.765 -5.336 1.00 23.21 H new ATOM 0 HD12 ILE A 142 -7.123 7.351 -5.942 1.00 23.21 H new ATOM 0 HD13 ILE A 142 -5.913 8.509 -5.341 1.00 23.21 H new ATOM 2213 N THR A 143 -9.513 5.929 -5.210 1.00 75.13 N ATOM 2214 CA THR A 143 -10.032 4.557 -5.316 1.00 72.42 C ATOM 2215 C THR A 143 -9.160 3.586 -4.489 1.00 72.51 C ATOM 2216 O THR A 143 -7.946 3.527 -4.690 1.00 63.04 O ATOM 2217 CB THR A 143 -10.047 4.140 -6.820 1.00 74.04 C ATOM 2218 OG1 THR A 143 -10.817 5.094 -7.567 1.00 75.32 O ATOM 2219 CG2 THR A 143 -10.638 2.753 -7.027 1.00 15.02 C ATOM 0 H THR A 143 -8.786 6.136 -5.895 1.00 75.13 H new ATOM 0 HA THR A 143 -11.046 4.515 -4.918 1.00 72.42 H new ATOM 0 HB THR A 143 -9.014 4.117 -7.167 1.00 74.04 H new ATOM 0 HG1 THR A 143 -10.828 4.837 -8.513 1.00 75.32 H new ATOM 0 HG21 THR A 143 -10.627 2.508 -8.089 1.00 15.02 H new ATOM 0 HG22 THR A 143 -10.046 2.020 -6.479 1.00 15.02 H new ATOM 0 HG23 THR A 143 -11.665 2.737 -6.662 1.00 15.02 H new ATOM 2227 N LEU A 144 -9.798 2.808 -3.582 1.00 31.12 N ATOM 2228 CA LEU A 144 -9.123 1.955 -2.574 1.00 12.05 C ATOM 2229 C LEU A 144 -9.517 0.483 -2.813 1.00 23.23 C ATOM 2230 O LEU A 144 -10.557 0.029 -2.318 1.00 5.32 O ATOM 2231 CB LEU A 144 -9.540 2.370 -1.105 1.00 44.52 C ATOM 2232 CG LEU A 144 -8.729 3.504 -0.384 1.00 1.14 C ATOM 2233 CD1 LEU A 144 -7.323 3.016 0.045 1.00 33.10 C ATOM 2234 CD2 LEU A 144 -8.639 4.778 -1.246 1.00 72.21 C ATOM 0 H LEU A 144 -10.815 2.755 -3.529 1.00 31.12 H new ATOM 0 HA LEU A 144 -8.046 2.084 -2.678 1.00 12.05 H new ATOM 0 HB2 LEU A 144 -10.585 2.677 -1.132 1.00 44.52 H new ATOM 0 HB3 LEU A 144 -9.486 1.478 -0.481 1.00 44.52 H new ATOM 0 HG LEU A 144 -9.278 3.761 0.522 1.00 1.14 H new ATOM 0 HD11 LEU A 144 -6.791 3.828 0.541 1.00 33.10 H new ATOM 0 HD12 LEU A 144 -7.423 2.176 0.732 1.00 33.10 H new ATOM 0 HD13 LEU A 144 -6.763 2.700 -0.835 1.00 33.10 H new ATOM 0 HD21 LEU A 144 -8.070 5.539 -0.712 1.00 72.21 H new ATOM 0 HD22 LEU A 144 -8.141 4.546 -2.187 1.00 72.21 H new ATOM 0 HD23 LEU A 144 -9.643 5.151 -1.449 1.00 72.21 H new ATOM 2246 N ASP A 145 -8.718 -0.253 -3.591 1.00 24.33 N ATOM 2247 CA ASP A 145 -8.846 -1.720 -3.683 1.00 74.12 C ATOM 2248 C ASP A 145 -7.686 -2.357 -2.907 1.00 52.52 C ATOM 2249 O ASP A 145 -6.533 -2.312 -3.317 1.00 63.41 O ATOM 2250 CB ASP A 145 -8.988 -2.231 -5.151 1.00 23.33 C ATOM 2251 CG ASP A 145 -7.919 -1.757 -6.139 1.00 63.23 C ATOM 2252 OD1 ASP A 145 -7.741 -0.525 -6.276 1.00 23.43 O ATOM 2253 OD2 ASP A 145 -7.299 -2.607 -6.816 1.00 43.54 O ATOM 0 H ASP A 145 -7.974 0.138 -4.168 1.00 24.33 H new ATOM 0 HA ASP A 145 -9.782 -2.033 -3.220 1.00 74.12 H new ATOM 0 HB2 ASP A 145 -8.982 -3.321 -5.136 1.00 23.33 H new ATOM 0 HB3 ASP A 145 -9.963 -1.923 -5.528 1.00 23.33 H new ATOM 2258 N PHE A 146 -8.036 -2.892 -1.723 1.00 23.13 N ATOM 2259 CA PHE A 146 -7.087 -3.461 -0.709 1.00 23.42 C ATOM 2260 C PHE A 146 -6.306 -4.700 -1.205 1.00 23.41 C ATOM 2261 O PHE A 146 -5.459 -5.246 -0.486 1.00 53.24 O ATOM 2262 CB PHE A 146 -7.873 -3.791 0.589 1.00 43.25 C ATOM 2263 CG PHE A 146 -8.818 -2.661 1.000 1.00 4.21 C ATOM 2264 CD1 PHE A 146 -8.312 -1.407 1.342 1.00 52.22 C ATOM 2265 CD2 PHE A 146 -10.205 -2.829 0.975 1.00 63.13 C ATOM 2266 CE1 PHE A 146 -9.157 -0.367 1.662 1.00 33.53 C ATOM 2267 CE2 PHE A 146 -11.050 -1.783 1.287 1.00 64.03 C ATOM 2268 CZ PHE A 146 -10.526 -0.554 1.631 1.00 13.15 C ATOM 0 H PHE A 146 -9.009 -2.949 -1.423 1.00 23.13 H new ATOM 0 HA PHE A 146 -6.329 -2.702 -0.517 1.00 23.42 H new ATOM 0 HB2 PHE A 146 -8.447 -4.706 0.441 1.00 43.25 H new ATOM 0 HB3 PHE A 146 -7.169 -3.985 1.398 1.00 43.25 H new ATOM 0 HD1 PHE A 146 -7.244 -1.249 1.356 1.00 52.22 H new ATOM 0 HD2 PHE A 146 -10.621 -3.789 0.708 1.00 63.13 H new ATOM 0 HE1 PHE A 146 -8.750 0.595 1.937 1.00 33.53 H new ATOM 0 HE2 PHE A 146 -12.120 -1.927 1.262 1.00 64.03 H new ATOM 0 HZ PHE A 146 -11.187 0.264 1.877 1.00 13.15 H new ATOM 2278 N ASN A 147 -6.600 -5.107 -2.438 1.00 61.34 N ATOM 2279 CA ASN A 147 -5.949 -6.217 -3.125 1.00 33.12 C ATOM 2280 C ASN A 147 -4.527 -5.854 -3.608 1.00 44.14 C ATOM 2281 O ASN A 147 -3.737 -6.727 -3.940 1.00 33.10 O ATOM 2282 CB ASN A 147 -6.854 -6.697 -4.288 1.00 2.13 C ATOM 2283 CG ASN A 147 -8.217 -7.227 -3.814 1.00 53.43 C ATOM 2284 OD1 ASN A 147 -8.759 -6.785 -2.803 1.00 73.45 O ATOM 2285 ND2 ASN A 147 -8.779 -8.186 -4.527 1.00 72.30 N ATOM 0 H ASN A 147 -7.321 -4.658 -3.003 1.00 61.34 H new ATOM 0 HA ASN A 147 -5.818 -7.036 -2.418 1.00 33.12 H new ATOM 0 HB2 ASN A 147 -7.013 -5.871 -4.981 1.00 2.13 H new ATOM 0 HB3 ASN A 147 -6.338 -7.482 -4.841 1.00 2.13 H new ATOM 0 HD21 ASN A 147 -9.679 -8.573 -4.242 1.00 72.30 H new ATOM 0 HD22 ASN A 147 -8.314 -8.540 -5.363 1.00 72.30 H new ATOM 2292 N LEU A 148 -4.177 -4.573 -3.572 1.00 55.11 N ATOM 2293 CA LEU A 148 -2.834 -4.089 -3.974 1.00 12.03 C ATOM 2294 C LEU A 148 -1.839 -4.175 -2.793 1.00 45.50 C ATOM 2295 O LEU A 148 -0.790 -3.517 -2.803 1.00 4.24 O ATOM 2296 CB LEU A 148 -2.979 -2.630 -4.468 1.00 52.15 C ATOM 2297 CG LEU A 148 -4.159 -2.400 -5.454 1.00 43.12 C ATOM 2298 CD1 LEU A 148 -4.449 -0.899 -5.675 1.00 1.54 C ATOM 2299 CD2 LEU A 148 -3.932 -3.159 -6.778 1.00 22.53 C ATOM 0 H LEU A 148 -4.806 -3.831 -3.266 1.00 55.11 H new ATOM 0 HA LEU A 148 -2.437 -4.715 -4.773 1.00 12.03 H new ATOM 0 HB2 LEU A 148 -3.111 -1.978 -3.604 1.00 52.15 H new ATOM 0 HB3 LEU A 148 -2.051 -2.330 -4.955 1.00 52.15 H new ATOM 0 HG LEU A 148 -5.057 -2.815 -4.995 1.00 43.12 H new ATOM 0 HD11 LEU A 148 -5.281 -0.788 -6.371 1.00 1.54 H new ATOM 0 HD12 LEU A 148 -4.707 -0.434 -4.723 1.00 1.54 H new ATOM 0 HD13 LEU A 148 -3.564 -0.414 -6.087 1.00 1.54 H new ATOM 0 HD21 LEU A 148 -4.773 -2.980 -7.449 1.00 22.53 H new ATOM 0 HD22 LEU A 148 -3.013 -2.807 -7.246 1.00 22.53 H new ATOM 0 HD23 LEU A 148 -3.850 -4.227 -6.576 1.00 22.53 H new ATOM 2311 N ALA A 149 -2.180 -4.991 -1.773 1.00 61.55 N ATOM 2312 CA ALA A 149 -1.400 -5.111 -0.546 1.00 13.12 C ATOM 2313 C ALA A 149 -0.194 -6.031 -0.751 1.00 44.14 C ATOM 2314 O ALA A 149 -0.348 -7.241 -0.943 1.00 4.24 O ATOM 2315 CB ALA A 149 -2.282 -5.620 0.603 1.00 70.34 C ATOM 0 H ALA A 149 -3.010 -5.583 -1.788 1.00 61.55 H new ATOM 0 HA ALA A 149 -1.026 -4.122 -0.282 1.00 13.12 H new ATOM 0 HB1 ALA A 149 -1.684 -5.704 1.511 1.00 70.34 H new ATOM 0 HB2 ALA A 149 -3.101 -4.920 0.771 1.00 70.34 H new ATOM 0 HB3 ALA A 149 -2.688 -6.598 0.344 1.00 70.34 H new ATOM 2321 N TYR A 150 0.996 -5.433 -0.691 1.00 60.42 N ATOM 2322 CA TYR A 150 2.272 -6.144 -0.797 1.00 54.45 C ATOM 2323 C TYR A 150 2.697 -6.585 0.606 1.00 62.43 C ATOM 2324 O TYR A 150 2.368 -5.923 1.608 1.00 43.54 O ATOM 2325 CB TYR A 150 3.358 -5.245 -1.451 1.00 35.34 C ATOM 2326 CG TYR A 150 2.866 -4.439 -2.667 1.00 1.24 C ATOM 2327 CD1 TYR A 150 2.209 -5.061 -3.723 1.00 11.11 C ATOM 2328 CD2 TYR A 150 3.032 -3.054 -2.741 1.00 23.41 C ATOM 2329 CE1 TYR A 150 1.740 -4.345 -4.804 1.00 70.04 C ATOM 2330 CE2 TYR A 150 2.569 -2.336 -3.822 1.00 20.44 C ATOM 2331 CZ TYR A 150 1.924 -2.982 -4.854 1.00 43.24 C ATOM 2332 OH TYR A 150 1.453 -2.258 -5.930 1.00 21.51 O ATOM 0 H TYR A 150 1.103 -4.426 -0.566 1.00 60.42 H new ATOM 0 HA TYR A 150 2.154 -7.018 -1.437 1.00 54.45 H new ATOM 0 HB2 TYR A 150 3.739 -4.552 -0.701 1.00 35.34 H new ATOM 0 HB3 TYR A 150 4.194 -5.872 -1.760 1.00 35.34 H new ATOM 0 HD1 TYR A 150 2.063 -6.131 -3.696 1.00 11.11 H new ATOM 0 HD2 TYR A 150 3.533 -2.536 -1.936 1.00 23.41 H new ATOM 0 HE1 TYR A 150 1.230 -4.852 -5.609 1.00 70.04 H new ATOM 0 HE2 TYR A 150 2.712 -1.266 -3.860 1.00 20.44 H new ATOM 0 HH TYR A 150 1.666 -1.310 -5.805 1.00 21.51 H new ATOM 2342 N SER A 151 3.381 -7.726 0.686 1.00 40.24 N ATOM 2343 CA SER A 151 3.906 -8.251 1.950 1.00 15.01 C ATOM 2344 C SER A 151 5.208 -7.510 2.343 1.00 43.43 C ATOM 2345 O SER A 151 6.023 -7.199 1.456 1.00 20.12 O ATOM 2346 CB SER A 151 4.130 -9.770 1.816 1.00 75.32 C ATOM 2347 OG SER A 151 2.919 -10.432 1.479 1.00 60.03 O ATOM 0 H SER A 151 3.588 -8.313 -0.122 1.00 40.24 H new ATOM 0 HA SER A 151 3.185 -8.080 2.749 1.00 15.01 H new ATOM 0 HB2 SER A 151 4.881 -9.965 1.051 1.00 75.32 H new ATOM 0 HB3 SER A 151 4.519 -10.169 2.753 1.00 75.32 H new ATOM 0 HG SER A 151 3.084 -11.395 1.397 1.00 60.03 H new ATOM 2353 N PRO A 152 5.409 -7.196 3.675 1.00 44.51 N ATOM 2354 CA PRO A 152 6.584 -6.428 4.159 1.00 30.22 C ATOM 2355 C PRO A 152 7.884 -7.253 4.088 1.00 30.35 C ATOM 2356 O PRO A 152 7.879 -8.471 4.329 1.00 50.11 O ATOM 2357 CB PRO A 152 6.191 -6.044 5.606 1.00 62.51 C ATOM 2358 CG PRO A 152 5.237 -7.104 6.046 1.00 14.11 C ATOM 2359 CD PRO A 152 4.513 -7.580 4.800 1.00 4.03 C ATOM 0 HA PRO A 152 6.803 -5.553 3.547 1.00 30.22 H new ATOM 0 HB2 PRO A 152 7.066 -6.007 6.255 1.00 62.51 H new ATOM 0 HB3 PRO A 152 5.727 -5.058 5.640 1.00 62.51 H new ATOM 0 HG2 PRO A 152 5.767 -7.928 6.525 1.00 14.11 H new ATOM 0 HG3 PRO A 152 4.531 -6.711 6.778 1.00 14.11 H new ATOM 0 HD2 PRO A 152 4.347 -8.657 4.825 1.00 4.03 H new ATOM 0 HD3 PRO A 152 3.534 -7.109 4.706 1.00 4.03 H new ATOM 2367 N PHE A 153 8.991 -6.569 3.749 1.00 74.24 N ATOM 2368 CA PHE A 153 10.283 -7.194 3.414 1.00 42.31 C ATOM 2369 C PHE A 153 10.915 -7.897 4.631 1.00 72.24 C ATOM 2370 O PHE A 153 11.680 -8.848 4.464 1.00 11.21 O ATOM 2371 CB PHE A 153 11.264 -6.113 2.868 1.00 23.32 C ATOM 2372 CG PHE A 153 10.667 -5.131 1.844 1.00 72.55 C ATOM 2373 CD1 PHE A 153 10.690 -5.408 0.486 1.00 15.35 C ATOM 2374 CD2 PHE A 153 10.085 -3.927 2.253 1.00 23.24 C ATOM 2375 CE1 PHE A 153 10.161 -4.525 -0.434 1.00 54.33 C ATOM 2376 CE2 PHE A 153 9.552 -3.041 1.334 1.00 44.51 C ATOM 2377 CZ PHE A 153 9.591 -3.340 -0.013 1.00 51.23 C ATOM 0 H PHE A 153 9.014 -5.550 3.699 1.00 74.24 H new ATOM 0 HA PHE A 153 10.097 -7.950 2.652 1.00 42.31 H new ATOM 0 HB2 PHE A 153 11.651 -5.540 3.711 1.00 23.32 H new ATOM 0 HB3 PHE A 153 12.114 -6.618 2.408 1.00 23.32 H new ATOM 0 HD1 PHE A 153 11.130 -6.332 0.141 1.00 15.35 H new ATOM 0 HD2 PHE A 153 10.051 -3.685 3.305 1.00 23.24 H new ATOM 0 HE1 PHE A 153 10.193 -4.762 -1.487 1.00 54.33 H new ATOM 0 HE2 PHE A 153 9.106 -2.117 1.670 1.00 44.51 H new ATOM 0 HZ PHE A 153 9.178 -2.650 -0.734 1.00 51.23 H new ATOM 2387 N CYS A 154 10.583 -7.398 5.836 1.00 14.44 N ATOM 2388 CA CYS A 154 11.064 -7.935 7.131 1.00 15.41 C ATOM 2389 C CYS A 154 10.819 -9.452 7.275 1.00 5.44 C ATOM 2390 O CYS A 154 11.674 -10.185 7.789 1.00 62.43 O ATOM 2391 CB CYS A 154 10.337 -7.215 8.271 1.00 12.11 C ATOM 2392 SG CYS A 154 8.552 -7.508 8.263 1.00 70.13 S ATOM 0 H CYS A 154 9.962 -6.596 5.943 1.00 14.44 H new ATOM 0 HA CYS A 154 12.140 -7.766 7.172 1.00 15.41 H new ATOM 0 HB2 CYS A 154 10.750 -7.545 9.224 1.00 12.11 H new ATOM 0 HB3 CYS A 154 10.525 -6.144 8.196 1.00 12.11 H new ATOM 0 HG CYS A 154 8.275 -8.522 9.028 1.00 70.13 H new ATOM 2398 N ALA A 155 9.630 -9.896 6.813 1.00 31.21 N ATOM 2399 CA ALA A 155 9.195 -11.310 6.887 1.00 75.11 C ATOM 2400 C ALA A 155 10.140 -12.240 6.124 1.00 71.01 C ATOM 2401 O ALA A 155 10.374 -13.388 6.518 1.00 32.51 O ATOM 2402 CB ALA A 155 7.784 -11.440 6.307 1.00 74.33 C ATOM 0 H ALA A 155 8.942 -9.283 6.377 1.00 31.21 H new ATOM 0 HA ALA A 155 9.206 -11.606 7.936 1.00 75.11 H new ATOM 0 HB1 ALA A 155 7.463 -12.480 6.361 1.00 74.33 H new ATOM 0 HB2 ALA A 155 7.096 -10.818 6.880 1.00 74.33 H new ATOM 0 HB3 ALA A 155 7.787 -11.115 5.267 1.00 74.33 H new ATOM 2408 N TYR A 156 10.685 -11.708 5.036 1.00 30.10 N ATOM 2409 CA TYR A 156 11.415 -12.469 4.028 1.00 14.12 C ATOM 2410 C TYR A 156 12.932 -12.254 4.157 1.00 23.34 C ATOM 2411 O TYR A 156 13.718 -13.086 3.707 1.00 72.34 O ATOM 2412 CB TYR A 156 10.887 -12.052 2.636 1.00 13.23 C ATOM 2413 CG TYR A 156 9.390 -12.343 2.446 1.00 2.42 C ATOM 2414 CD1 TYR A 156 8.937 -13.628 2.126 1.00 43.42 C ATOM 2415 CD2 TYR A 156 8.428 -11.347 2.622 1.00 53.32 C ATOM 2416 CE1 TYR A 156 7.591 -13.903 1.976 1.00 53.44 C ATOM 2417 CE2 TYR A 156 7.083 -11.622 2.478 1.00 60.41 C ATOM 2418 CZ TYR A 156 6.667 -12.899 2.154 1.00 33.41 C ATOM 2419 OH TYR A 156 5.321 -13.176 2.008 1.00 53.45 O ATOM 0 H TYR A 156 10.630 -10.712 4.825 1.00 30.10 H new ATOM 0 HA TYR A 156 11.249 -13.537 4.172 1.00 14.12 H new ATOM 0 HB2 TYR A 156 11.065 -10.986 2.491 1.00 13.23 H new ATOM 0 HB3 TYR A 156 11.453 -12.577 1.867 1.00 13.23 H new ATOM 0 HD1 TYR A 156 9.656 -14.423 1.993 1.00 43.42 H new ATOM 0 HD2 TYR A 156 8.741 -10.345 2.875 1.00 53.32 H new ATOM 0 HE1 TYR A 156 7.266 -14.901 1.720 1.00 53.44 H new ATOM 0 HE2 TYR A 156 6.354 -10.837 2.619 1.00 60.41 H new ATOM 0 HH TYR A 156 4.800 -12.361 2.168 1.00 53.45 H new ATOM 2429 N SER A 157 13.341 -11.127 4.764 1.00 65.24 N ATOM 2430 CA SER A 157 14.750 -10.797 5.022 1.00 70.51 C ATOM 2431 C SER A 157 14.897 -10.180 6.426 1.00 40.53 C ATOM 2432 O SER A 157 14.294 -9.138 6.719 1.00 2.25 O ATOM 2433 CB SER A 157 15.273 -9.822 3.951 1.00 53.33 C ATOM 2434 OG SER A 157 15.190 -10.372 2.652 1.00 22.45 O ATOM 0 H SER A 157 12.693 -10.411 5.093 1.00 65.24 H new ATOM 0 HA SER A 157 15.342 -11.711 4.976 1.00 70.51 H new ATOM 0 HB2 SER A 157 14.698 -8.897 3.991 1.00 53.33 H new ATOM 0 HB3 SER A 157 16.309 -9.563 4.170 1.00 53.33 H new ATOM 0 HG SER A 157 14.265 -10.640 2.469 1.00 22.45 H new ATOM 2440 N ASP A 158 15.727 -10.829 7.264 1.00 1.43 N ATOM 2441 CA ASP A 158 15.941 -10.465 8.689 1.00 51.44 C ATOM 2442 C ASP A 158 16.616 -9.088 8.849 1.00 75.12 C ATOM 2443 O ASP A 158 16.488 -8.446 9.901 1.00 2.15 O ATOM 2444 CB ASP A 158 16.811 -11.551 9.393 1.00 21.31 C ATOM 2445 CG ASP A 158 16.208 -12.962 9.302 1.00 61.14 C ATOM 2446 OD1 ASP A 158 16.349 -13.609 8.236 1.00 74.53 O ATOM 2447 OD2 ASP A 158 15.585 -13.431 10.281 1.00 45.30 O ATOM 0 H ASP A 158 16.279 -11.635 6.971 1.00 1.43 H new ATOM 0 HA ASP A 158 14.957 -10.409 9.155 1.00 51.44 H new ATOM 0 HB2 ASP A 158 17.805 -11.558 8.945 1.00 21.31 H new ATOM 0 HB3 ASP A 158 16.936 -11.283 10.442 1.00 21.31 H new ATOM 2452 N THR A 159 17.339 -8.650 7.799 1.00 53.33 N ATOM 2453 CA THR A 159 18.090 -7.373 7.789 1.00 61.43 C ATOM 2454 C THR A 159 17.158 -6.137 7.605 1.00 63.14 C ATOM 2455 O THR A 159 17.632 -4.994 7.612 1.00 62.54 O ATOM 2456 CB THR A 159 19.226 -7.400 6.699 1.00 54.51 C ATOM 2457 OG1 THR A 159 20.107 -6.275 6.853 1.00 52.53 O ATOM 2458 CG2 THR A 159 18.656 -7.424 5.269 1.00 44.31 C ATOM 0 H THR A 159 17.420 -9.174 6.927 1.00 53.33 H new ATOM 0 HA THR A 159 18.557 -7.268 8.768 1.00 61.43 H new ATOM 0 HB THR A 159 19.788 -8.321 6.851 1.00 54.51 H new ATOM 0 HG1 THR A 159 19.629 -5.543 7.296 1.00 52.53 H new ATOM 0 HG21 THR A 159 19.476 -7.442 4.551 1.00 44.31 H new ATOM 0 HG22 THR A 159 18.039 -8.313 5.138 1.00 44.31 H new ATOM 0 HG23 THR A 159 18.049 -6.534 5.104 1.00 44.31 H new ATOM 2466 N PHE A 160 15.834 -6.370 7.501 1.00 63.52 N ATOM 2467 CA PHE A 160 14.809 -5.303 7.424 1.00 63.13 C ATOM 2468 C PHE A 160 14.008 -5.330 8.745 1.00 33.03 C ATOM 2469 O PHE A 160 14.041 -6.336 9.467 1.00 5.25 O ATOM 2470 CB PHE A 160 13.840 -5.545 6.238 1.00 30.44 C ATOM 2471 CG PHE A 160 14.436 -5.421 4.832 1.00 52.22 C ATOM 2472 CD1 PHE A 160 15.278 -6.404 4.321 1.00 12.01 C ATOM 2473 CD2 PHE A 160 14.117 -4.344 4.005 1.00 43.43 C ATOM 2474 CE1 PHE A 160 15.784 -6.317 3.033 1.00 54.12 C ATOM 2475 CE2 PHE A 160 14.612 -4.268 2.717 1.00 40.42 C ATOM 2476 CZ PHE A 160 15.448 -5.250 2.230 1.00 71.24 C ATOM 0 H PHE A 160 15.440 -7.310 7.468 1.00 63.52 H new ATOM 0 HA PHE A 160 15.296 -4.340 7.271 1.00 63.13 H new ATOM 0 HB2 PHE A 160 13.416 -6.544 6.342 1.00 30.44 H new ATOM 0 HB3 PHE A 160 13.015 -4.838 6.322 1.00 30.44 H new ATOM 0 HD1 PHE A 160 15.542 -7.250 4.939 1.00 12.01 H new ATOM 0 HD2 PHE A 160 13.475 -3.559 4.376 1.00 43.43 H new ATOM 0 HE1 PHE A 160 16.442 -7.087 2.659 1.00 54.12 H new ATOM 0 HE2 PHE A 160 14.342 -3.433 2.087 1.00 40.42 H new ATOM 0 HZ PHE A 160 15.837 -5.183 1.225 1.00 71.24 H new ATOM 2486 N SER A 161 13.285 -4.248 9.048 1.00 64.24 N ATOM 2487 CA SER A 161 12.418 -4.156 10.244 1.00 43.51 C ATOM 2488 C SER A 161 11.002 -3.749 9.805 1.00 14.51 C ATOM 2489 O SER A 161 10.870 -2.830 9.009 1.00 62.40 O ATOM 2490 CB SER A 161 13.006 -3.129 11.246 1.00 40.52 C ATOM 2491 OG SER A 161 14.331 -3.481 11.626 1.00 41.51 O ATOM 0 H SER A 161 13.279 -3.405 8.474 1.00 64.24 H new ATOM 0 HA SER A 161 12.369 -5.123 10.744 1.00 43.51 H new ATOM 0 HB2 SER A 161 13.006 -2.136 10.796 1.00 40.52 H new ATOM 0 HB3 SER A 161 12.373 -3.077 12.132 1.00 40.52 H new ATOM 0 HG SER A 161 14.678 -2.816 12.257 1.00 41.51 H new ATOM 2497 N CYS A 162 9.952 -4.411 10.345 1.00 3.21 N ATOM 2498 CA CYS A 162 8.548 -4.231 9.883 1.00 12.00 C ATOM 2499 C CYS A 162 8.005 -2.832 10.233 1.00 42.40 C ATOM 2500 O CYS A 162 8.388 -2.276 11.269 1.00 62.11 O ATOM 2501 CB CYS A 162 7.654 -5.326 10.520 1.00 65.15 C ATOM 2502 SG CYS A 162 7.742 -5.394 12.322 1.00 0.53 S ATOM 0 H CYS A 162 10.049 -5.081 11.108 1.00 3.21 H new ATOM 0 HA CYS A 162 8.532 -4.323 8.797 1.00 12.00 H new ATOM 0 HB2 CYS A 162 6.619 -5.153 10.224 1.00 65.15 H new ATOM 0 HB3 CYS A 162 7.943 -6.296 10.116 1.00 65.15 H new ATOM 0 HG CYS A 162 6.961 -6.336 12.759 1.00 0.53 H new ATOM 2508 N PRO A 163 7.105 -2.236 9.383 1.00 62.34 N ATOM 2509 CA PRO A 163 6.466 -0.946 9.697 1.00 71.33 C ATOM 2510 C PRO A 163 5.414 -1.133 10.803 1.00 24.42 C ATOM 2511 O PRO A 163 4.503 -1.955 10.646 1.00 11.35 O ATOM 2512 CB PRO A 163 5.805 -0.521 8.340 1.00 24.31 C ATOM 2513 CG PRO A 163 6.310 -1.495 7.313 1.00 21.42 C ATOM 2514 CD PRO A 163 6.620 -2.757 8.078 1.00 21.23 C ATOM 0 HA PRO A 163 7.162 -0.194 10.069 1.00 71.33 H new ATOM 0 HB2 PRO A 163 4.718 -0.554 8.408 1.00 24.31 H new ATOM 0 HB3 PRO A 163 6.077 0.501 8.076 1.00 24.31 H new ATOM 0 HG2 PRO A 163 5.561 -1.677 6.542 1.00 21.42 H new ATOM 0 HG3 PRO A 163 7.198 -1.112 6.811 1.00 21.42 H new ATOM 0 HD2 PRO A 163 5.738 -3.386 8.196 1.00 21.23 H new ATOM 0 HD3 PRO A 163 7.377 -3.360 7.576 1.00 21.23 H new ATOM 2522 N LEU A 164 5.574 -0.418 11.929 1.00 31.21 N ATOM 2523 CA LEU A 164 4.583 -0.390 13.011 1.00 53.23 C ATOM 2524 C LEU A 164 3.311 0.320 12.487 1.00 55.34 C ATOM 2525 O LEU A 164 3.367 1.527 12.198 1.00 60.13 O ATOM 2526 CB LEU A 164 5.218 0.335 14.247 1.00 61.30 C ATOM 2527 CG LEU A 164 4.473 0.267 15.636 1.00 62.21 C ATOM 2528 CD1 LEU A 164 3.223 1.190 15.699 1.00 15.23 C ATOM 2529 CD2 LEU A 164 4.107 -1.200 16.003 1.00 14.42 C ATOM 0 H LEU A 164 6.396 0.157 12.112 1.00 31.21 H new ATOM 0 HA LEU A 164 4.296 -1.392 13.330 1.00 53.23 H new ATOM 0 HB2 LEU A 164 6.219 -0.072 14.390 1.00 61.30 H new ATOM 0 HB3 LEU A 164 5.336 1.387 13.987 1.00 61.30 H new ATOM 0 HG LEU A 164 5.173 0.645 16.382 1.00 62.21 H new ATOM 0 HD11 LEU A 164 2.753 1.100 16.678 1.00 15.23 H new ATOM 0 HD12 LEU A 164 3.526 2.224 15.536 1.00 15.23 H new ATOM 0 HD13 LEU A 164 2.513 0.894 14.927 1.00 15.23 H new ATOM 0 HD21 LEU A 164 3.595 -1.217 16.965 1.00 14.42 H new ATOM 0 HD22 LEU A 164 3.453 -1.615 15.236 1.00 14.42 H new ATOM 0 HD23 LEU A 164 5.017 -1.797 16.066 1.00 14.42 H new ATOM 2541 N PRO A 165 2.162 -0.409 12.309 1.00 70.12 N ATOM 2542 CA PRO A 165 0.916 0.202 11.832 1.00 55.45 C ATOM 2543 C PRO A 165 0.127 0.859 13.001 1.00 32.35 C ATOM 2544 O PRO A 165 -0.122 0.198 14.027 1.00 31.41 O ATOM 2545 CB PRO A 165 0.171 -1.004 11.203 1.00 40.30 C ATOM 2546 CG PRO A 165 0.595 -2.191 12.013 1.00 42.24 C ATOM 2547 CD PRO A 165 1.985 -1.873 12.556 1.00 11.22 C ATOM 0 HA PRO A 165 1.062 1.017 11.123 1.00 55.45 H new ATOM 0 HB2 PRO A 165 -0.909 -0.865 11.244 1.00 40.30 H new ATOM 0 HB3 PRO A 165 0.437 -1.128 10.153 1.00 40.30 H new ATOM 0 HG2 PRO A 165 -0.106 -2.375 12.827 1.00 42.24 H new ATOM 0 HG3 PRO A 165 0.615 -3.092 11.399 1.00 42.24 H new ATOM 0 HD2 PRO A 165 2.059 -2.107 13.618 1.00 11.22 H new ATOM 0 HD3 PRO A 165 2.752 -2.456 12.047 1.00 11.22 H new ATOM 2555 N PRO A 166 -0.224 2.186 12.889 1.00 64.31 N ATOM 2556 CA PRO A 166 -1.072 2.880 13.889 1.00 31.53 C ATOM 2557 C PRO A 166 -2.458 2.208 14.040 1.00 11.32 C ATOM 2558 O PRO A 166 -2.970 1.619 13.090 1.00 73.31 O ATOM 2559 CB PRO A 166 -1.198 4.328 13.328 1.00 45.11 C ATOM 2560 CG PRO A 166 -0.808 4.234 11.886 1.00 14.42 C ATOM 2561 CD PRO A 166 0.213 3.123 11.816 1.00 11.33 C ATOM 0 HA PRO A 166 -0.640 2.851 14.889 1.00 31.53 H new ATOM 0 HB2 PRO A 166 -2.216 4.703 13.436 1.00 45.11 H new ATOM 0 HB3 PRO A 166 -0.546 5.016 13.867 1.00 45.11 H new ATOM 0 HG2 PRO A 166 -1.672 4.013 11.259 1.00 14.42 H new ATOM 0 HG3 PRO A 166 -0.389 5.175 11.531 1.00 14.42 H new ATOM 0 HD2 PRO A 166 0.216 2.641 10.838 1.00 11.33 H new ATOM 0 HD3 PRO A 166 1.223 3.493 11.992 1.00 11.33 H new ATOM 2569 N GLU A 167 -3.058 2.351 15.237 1.00 71.22 N ATOM 2570 CA GLU A 167 -4.353 1.717 15.610 1.00 41.42 C ATOM 2571 C GLU A 167 -5.520 2.167 14.704 1.00 3.32 C ATOM 2572 O GLU A 167 -6.543 1.481 14.599 1.00 31.23 O ATOM 2573 CB GLU A 167 -4.689 2.020 17.095 1.00 61.54 C ATOM 2574 CG GLU A 167 -3.569 1.691 18.094 1.00 54.41 C ATOM 2575 CD GLU A 167 -3.948 2.067 19.533 1.00 62.02 C ATOM 2576 OE1 GLU A 167 -4.555 1.231 20.234 1.00 75.24 O ATOM 2577 OE2 GLU A 167 -3.674 3.214 19.953 1.00 15.51 O ATOM 0 H GLU A 167 -2.658 2.915 15.987 1.00 71.22 H new ATOM 0 HA GLU A 167 -4.232 0.643 15.469 1.00 41.42 H new ATOM 0 HB2 GLU A 167 -4.939 3.077 17.187 1.00 61.54 H new ATOM 0 HB3 GLU A 167 -5.580 1.457 17.373 1.00 61.54 H new ATOM 0 HG2 GLU A 167 -3.343 0.626 18.046 1.00 54.41 H new ATOM 0 HG3 GLU A 167 -2.661 2.223 17.808 1.00 54.41 H new ATOM 2584 N SER A 168 -5.327 3.315 14.061 1.00 43.33 N ATOM 2585 CA SER A 168 -6.296 3.939 13.160 1.00 31.01 C ATOM 2586 C SER A 168 -6.490 3.143 11.849 1.00 42.24 C ATOM 2587 O SER A 168 -7.608 3.075 11.321 1.00 74.20 O ATOM 2588 CB SER A 168 -5.815 5.369 12.873 1.00 22.30 C ATOM 2589 OG SER A 168 -4.432 5.376 12.533 1.00 3.23 O ATOM 0 H SER A 168 -4.466 3.855 14.154 1.00 43.33 H new ATOM 0 HA SER A 168 -7.274 3.951 13.642 1.00 31.01 H new ATOM 0 HB2 SER A 168 -6.397 5.797 12.057 1.00 22.30 H new ATOM 0 HB3 SER A 168 -5.983 5.997 13.748 1.00 22.30 H new ATOM 0 HG SER A 168 -4.254 6.105 11.903 1.00 3.23 H new ATOM 2595 N ASN A 169 -5.408 2.504 11.349 1.00 44.33 N ATOM 2596 CA ASN A 169 -5.446 1.743 10.075 1.00 20.32 C ATOM 2597 C ASN A 169 -5.820 0.268 10.326 1.00 3.53 C ATOM 2598 O ASN A 169 -5.879 -0.544 9.384 1.00 43.13 O ATOM 2599 CB ASN A 169 -4.093 1.851 9.298 1.00 11.21 C ATOM 2600 CG ASN A 169 -2.863 1.163 9.939 1.00 11.32 C ATOM 2601 OD1 ASN A 169 -2.959 0.201 10.691 1.00 30.31 O ATOM 2602 ND2 ASN A 169 -1.678 1.611 9.570 1.00 53.43 N ATOM 0 H ASN A 169 -4.497 2.499 11.807 1.00 44.33 H new ATOM 0 HA ASN A 169 -6.219 2.190 9.450 1.00 20.32 H new ATOM 0 HB2 ASN A 169 -4.238 1.430 8.303 1.00 11.21 H new ATOM 0 HB3 ASN A 169 -3.861 2.908 9.166 1.00 11.21 H new ATOM 0 HD21 ASN A 169 -0.832 1.155 9.911 1.00 53.43 H new ATOM 0 HD22 ASN A 169 -1.608 2.413 8.943 1.00 53.43 H new ATOM 2609 N TRP A 170 -6.076 -0.074 11.606 1.00 1.24 N ATOM 2610 CA TRP A 170 -6.449 -1.428 12.008 1.00 54.10 C ATOM 2611 C TRP A 170 -7.921 -1.655 11.632 1.00 4.22 C ATOM 2612 O TRP A 170 -8.835 -1.183 12.328 1.00 65.23 O ATOM 2613 CB TRP A 170 -6.219 -1.664 13.532 1.00 73.11 C ATOM 2614 CG TRP A 170 -4.774 -1.658 13.992 1.00 31.41 C ATOM 2615 CD1 TRP A 170 -3.648 -1.477 13.240 1.00 72.43 C ATOM 2616 CD2 TRP A 170 -4.312 -1.839 15.342 1.00 11.30 C ATOM 2617 NE1 TRP A 170 -2.531 -1.532 14.032 1.00 42.52 N ATOM 2618 CE2 TRP A 170 -2.911 -1.757 15.325 1.00 14.14 C ATOM 2619 CE3 TRP A 170 -4.959 -2.065 16.559 1.00 20.45 C ATOM 2620 CZ2 TRP A 170 -2.142 -1.884 16.477 1.00 23.14 C ATOM 2621 CZ3 TRP A 170 -4.195 -2.195 17.702 1.00 23.24 C ATOM 2622 CH2 TRP A 170 -2.800 -2.094 17.658 1.00 5.52 C ATOM 0 H TRP A 170 -6.027 0.586 12.382 1.00 1.24 H new ATOM 0 HA TRP A 170 -5.815 -2.145 11.486 1.00 54.10 H new ATOM 0 HB2 TRP A 170 -6.759 -0.895 14.085 1.00 73.11 H new ATOM 0 HB3 TRP A 170 -6.662 -2.622 13.803 1.00 73.11 H new ATOM 0 HD1 TRP A 170 -3.639 -1.314 12.172 1.00 72.43 H new ATOM 0 HE1 TRP A 170 -1.570 -1.423 13.708 1.00 42.52 H new ATOM 0 HE3 TRP A 170 -6.036 -2.137 16.605 1.00 20.45 H new ATOM 0 HZ2 TRP A 170 -1.065 -1.819 16.441 1.00 23.14 H new ATOM 0 HZ3 TRP A 170 -4.683 -2.378 18.648 1.00 23.24 H new ATOM 0 HH2 TRP A 170 -2.233 -2.183 18.573 1.00 5.52 H new ATOM 2633 N LEU A 171 -8.130 -2.354 10.512 1.00 73.03 N ATOM 2634 CA LEU A 171 -9.456 -2.668 9.993 1.00 0.54 C ATOM 2635 C LEU A 171 -9.977 -3.883 10.778 1.00 65.31 C ATOM 2636 O LEU A 171 -9.350 -4.951 10.735 1.00 11.24 O ATOM 2637 CB LEU A 171 -9.380 -2.988 8.461 1.00 31.44 C ATOM 2638 CG LEU A 171 -8.512 -2.034 7.565 1.00 22.24 C ATOM 2639 CD1 LEU A 171 -8.556 -2.467 6.075 1.00 74.32 C ATOM 2640 CD2 LEU A 171 -8.919 -0.552 7.722 1.00 21.31 C ATOM 0 H LEU A 171 -7.371 -2.720 9.937 1.00 73.03 H new ATOM 0 HA LEU A 171 -10.130 -1.820 10.114 1.00 0.54 H new ATOM 0 HB2 LEU A 171 -8.993 -4.001 8.347 1.00 31.44 H new ATOM 0 HB3 LEU A 171 -10.396 -2.989 8.066 1.00 31.44 H new ATOM 0 HG LEU A 171 -7.484 -2.123 7.915 1.00 22.24 H new ATOM 0 HD11 LEU A 171 -7.946 -1.787 5.480 1.00 74.32 H new ATOM 0 HD12 LEU A 171 -8.168 -3.481 5.979 1.00 74.32 H new ATOM 0 HD13 LEU A 171 -9.585 -2.437 5.718 1.00 74.32 H new ATOM 0 HD21 LEU A 171 -8.290 0.068 7.083 1.00 21.31 H new ATOM 0 HD22 LEU A 171 -9.963 -0.429 7.433 1.00 21.31 H new ATOM 0 HD23 LEU A 171 -8.791 -0.248 8.761 1.00 21.31 H new ATOM 2652 N GLU A 172 -11.094 -3.733 11.518 1.00 65.33 N ATOM 2653 CA GLU A 172 -11.679 -4.842 12.305 1.00 71.20 C ATOM 2654 C GLU A 172 -12.614 -5.676 11.390 1.00 51.14 C ATOM 2655 O GLU A 172 -13.783 -5.915 11.692 1.00 42.14 O ATOM 2656 CB GLU A 172 -12.408 -4.279 13.565 1.00 2.50 C ATOM 2657 CG GLU A 172 -12.746 -5.339 14.639 1.00 54.35 C ATOM 2658 CD GLU A 172 -13.346 -4.731 15.915 1.00 54.32 C ATOM 2659 OE1 GLU A 172 -12.591 -4.112 16.702 1.00 65.20 O ATOM 2660 OE2 GLU A 172 -14.568 -4.868 16.143 1.00 44.34 O ATOM 0 H GLU A 172 -11.610 -2.856 11.588 1.00 65.33 H new ATOM 0 HA GLU A 172 -10.896 -5.507 12.670 1.00 71.20 H new ATOM 0 HB2 GLU A 172 -11.783 -3.509 14.017 1.00 2.50 H new ATOM 0 HB3 GLU A 172 -13.331 -3.794 13.248 1.00 2.50 H new ATOM 0 HG2 GLU A 172 -13.449 -6.060 14.221 1.00 54.35 H new ATOM 0 HG3 GLU A 172 -11.841 -5.889 14.896 1.00 54.35 H new ATOM 2667 N THR A 173 -12.038 -6.127 10.269 1.00 51.32 N ATOM 2668 CA THR A 173 -12.723 -6.872 9.212 1.00 24.31 C ATOM 2669 C THR A 173 -11.702 -7.749 8.472 1.00 10.21 C ATOM 2670 O THR A 173 -10.524 -7.376 8.359 1.00 71.14 O ATOM 2671 CB THR A 173 -13.432 -5.910 8.209 1.00 52.21 C ATOM 2672 OG1 THR A 173 -14.103 -6.661 7.186 1.00 71.01 O ATOM 2673 CG2 THR A 173 -12.477 -4.894 7.553 1.00 14.14 C ATOM 0 H THR A 173 -11.049 -5.977 10.069 1.00 51.32 H new ATOM 0 HA THR A 173 -13.490 -7.499 9.667 1.00 24.31 H new ATOM 0 HB THR A 173 -14.152 -5.340 8.797 1.00 52.21 H new ATOM 0 HG1 THR A 173 -14.266 -6.084 6.411 1.00 71.01 H new ATOM 0 HG21 THR A 173 -13.037 -4.258 6.868 1.00 14.14 H new ATOM 0 HG22 THR A 173 -12.015 -4.278 8.325 1.00 14.14 H new ATOM 0 HG23 THR A 173 -11.702 -5.427 7.002 1.00 14.14 H new ATOM 2681 N ALA A 174 -12.144 -8.927 8.019 1.00 43.04 N ATOM 2682 CA ALA A 174 -11.296 -9.866 7.276 1.00 35.12 C ATOM 2683 C ALA A 174 -11.357 -9.529 5.777 1.00 41.40 C ATOM 2684 O ALA A 174 -12.441 -9.533 5.182 1.00 23.51 O ATOM 2685 CB ALA A 174 -11.743 -11.316 7.540 1.00 61.22 C ATOM 0 H ALA A 174 -13.099 -9.257 8.157 1.00 43.04 H new ATOM 0 HA ALA A 174 -10.264 -9.772 7.614 1.00 35.12 H new ATOM 0 HB1 ALA A 174 -11.105 -12.001 6.982 1.00 61.22 H new ATOM 0 HB2 ALA A 174 -11.664 -11.533 8.605 1.00 61.22 H new ATOM 0 HB3 ALA A 174 -12.777 -11.442 7.220 1.00 61.22 H new ATOM 2691 N VAL A 175 -10.186 -9.231 5.188 1.00 55.44 N ATOM 2692 CA VAL A 175 -10.045 -8.926 3.759 1.00 13.35 C ATOM 2693 C VAL A 175 -9.616 -10.225 3.058 1.00 75.54 C ATOM 2694 O VAL A 175 -8.424 -10.554 2.993 1.00 24.12 O ATOM 2695 CB VAL A 175 -9.002 -7.756 3.504 1.00 62.12 C ATOM 2696 CG1 VAL A 175 -8.822 -7.461 1.990 1.00 11.11 C ATOM 2697 CG2 VAL A 175 -9.407 -6.473 4.282 1.00 11.13 C ATOM 0 H VAL A 175 -9.304 -9.196 5.698 1.00 55.44 H new ATOM 0 HA VAL A 175 -10.993 -8.569 3.356 1.00 13.35 H new ATOM 0 HB VAL A 175 -8.036 -8.092 3.882 1.00 62.12 H new ATOM 0 HG11 VAL A 175 -8.100 -6.654 1.860 1.00 11.11 H new ATOM 0 HG12 VAL A 175 -8.460 -8.357 1.485 1.00 11.11 H new ATOM 0 HG13 VAL A 175 -9.779 -7.164 1.561 1.00 11.11 H new ATOM 0 HG21 VAL A 175 -8.677 -5.686 4.091 1.00 11.13 H new ATOM 0 HG22 VAL A 175 -10.392 -6.143 3.951 1.00 11.13 H new ATOM 0 HG23 VAL A 175 -9.437 -6.689 5.350 1.00 11.13 H new ATOM 2707 N THR A 176 -10.616 -11.006 2.614 1.00 55.14 N ATOM 2708 CA THR A 176 -10.394 -12.268 1.905 1.00 30.31 C ATOM 2709 C THR A 176 -10.066 -11.991 0.429 1.00 22.53 C ATOM 2710 O THR A 176 -10.965 -11.841 -0.401 1.00 24.40 O ATOM 2711 CB THR A 176 -11.647 -13.203 2.048 1.00 35.20 C ATOM 2712 OG1 THR A 176 -12.852 -12.489 1.690 1.00 61.05 O ATOM 2713 CG2 THR A 176 -11.794 -13.749 3.481 1.00 23.11 C ATOM 0 H THR A 176 -11.602 -10.775 2.739 1.00 55.14 H new ATOM 0 HA THR A 176 -9.543 -12.784 2.350 1.00 30.31 H new ATOM 0 HB THR A 176 -11.497 -14.044 1.371 1.00 35.20 H new ATOM 0 HG1 THR A 176 -12.713 -12.018 0.842 1.00 61.05 H new ATOM 0 HG21 THR A 176 -12.673 -14.391 3.537 1.00 23.11 H new ATOM 0 HG22 THR A 176 -10.906 -14.325 3.744 1.00 23.11 H new ATOM 0 HG23 THR A 176 -11.907 -12.918 4.177 1.00 23.11 H new ATOM 2721 N ALA A 177 -8.765 -11.878 0.128 1.00 51.43 N ATOM 2722 CA ALA A 177 -8.273 -11.542 -1.210 1.00 43.41 C ATOM 2723 C ALA A 177 -6.899 -12.187 -1.451 1.00 62.21 C ATOM 2724 O ALA A 177 -6.088 -12.272 -0.524 1.00 4.15 O ATOM 2725 CB ALA A 177 -8.205 -10.012 -1.365 1.00 12.24 C ATOM 0 H ALA A 177 -8.022 -12.019 0.812 1.00 51.43 H new ATOM 0 HA ALA A 177 -8.960 -11.936 -1.959 1.00 43.41 H new ATOM 0 HB1 ALA A 177 -7.839 -9.763 -2.361 1.00 12.24 H new ATOM 0 HB2 ALA A 177 -9.200 -9.588 -1.228 1.00 12.24 H new ATOM 0 HB3 ALA A 177 -7.528 -9.600 -0.616 1.00 12.24 H new ATOM 2731 N GLY A 178 -6.670 -12.626 -2.706 1.00 0.21 N ATOM 2732 CA GLY A 178 -5.393 -13.186 -3.164 1.00 53.24 C ATOM 2733 C GLY A 178 -4.837 -14.335 -2.338 1.00 42.23 C ATOM 2734 O GLY A 178 -5.591 -15.130 -1.770 1.00 35.41 O ATOM 0 H GLY A 178 -7.381 -12.599 -3.436 1.00 0.21 H new ATOM 0 HA2 GLY A 178 -5.517 -13.529 -4.191 1.00 53.24 H new ATOM 0 HA3 GLY A 178 -4.653 -12.386 -3.182 1.00 53.24 H new ATOM 2738 N GLU A 179 -3.494 -14.412 -2.282 1.00 23.13 N ATOM 2739 CA GLU A 179 -2.769 -15.543 -1.688 1.00 44.12 C ATOM 2740 C GLU A 179 -2.601 -15.419 -0.165 1.00 24.31 C ATOM 2741 O GLU A 179 -2.562 -14.314 0.397 1.00 24.31 O ATOM 2742 CB GLU A 179 -1.391 -15.717 -2.384 1.00 22.24 C ATOM 2743 CG GLU A 179 -1.485 -15.961 -3.905 1.00 3.42 C ATOM 2744 CD GLU A 179 -2.431 -17.130 -4.268 1.00 50.35 C ATOM 2745 OE1 GLU A 179 -2.027 -18.307 -4.127 1.00 3.53 O ATOM 2746 OE2 GLU A 179 -3.593 -16.881 -4.666 1.00 71.04 O ATOM 0 H GLU A 179 -2.881 -13.685 -2.651 1.00 23.13 H new ATOM 0 HA GLU A 179 -3.375 -16.433 -1.855 1.00 44.12 H new ATOM 0 HB2 GLU A 179 -0.790 -14.826 -2.205 1.00 22.24 H new ATOM 0 HB3 GLU A 179 -0.865 -16.554 -1.924 1.00 22.24 H new ATOM 0 HG2 GLU A 179 -1.835 -15.051 -4.393 1.00 3.42 H new ATOM 0 HG3 GLU A 179 -0.490 -16.170 -4.297 1.00 3.42 H new ATOM 2753 N ARG A 180 -2.497 -16.592 0.473 1.00 34.04 N ATOM 2754 CA ARG A 180 -2.292 -16.747 1.923 1.00 53.35 C ATOM 2755 C ARG A 180 -0.812 -16.571 2.315 1.00 11.33 C ATOM 2756 O ARG A 180 0.057 -16.379 1.452 1.00 1.21 O ATOM 2757 CB ARG A 180 -2.781 -18.167 2.335 1.00 15.12 C ATOM 2758 CG ARG A 180 -2.045 -19.324 1.606 1.00 2.43 C ATOM 2759 CD ARG A 180 -2.597 -20.722 1.939 1.00 12.11 C ATOM 2760 NE ARG A 180 -1.913 -21.775 1.159 1.00 43.35 N ATOM 2761 CZ ARG A 180 -2.215 -22.136 -0.105 1.00 52.25 C ATOM 2762 NH1 ARG A 180 -3.200 -21.552 -0.769 1.00 20.21 N ATOM 2763 NH2 ARG A 180 -1.503 -23.067 -0.707 1.00 43.21 N ATOM 0 H ARG A 180 -2.554 -17.485 -0.017 1.00 34.04 H new ATOM 0 HA ARG A 180 -2.858 -15.974 2.443 1.00 53.35 H new ATOM 0 HB2 ARG A 180 -2.650 -18.287 3.410 1.00 15.12 H new ATOM 0 HB3 ARG A 180 -3.849 -18.245 2.133 1.00 15.12 H new ATOM 0 HG2 ARG A 180 -2.113 -19.164 0.530 1.00 2.43 H new ATOM 0 HG3 ARG A 180 -0.987 -19.290 1.867 1.00 2.43 H new ATOM 0 HD2 ARG A 180 -2.474 -20.919 3.004 1.00 12.11 H new ATOM 0 HD3 ARG A 180 -3.667 -20.751 1.731 1.00 12.11 H new ATOM 0 HE ARG A 180 -1.147 -22.271 1.616 1.00 43.35 H new ATOM 0 HH11 ARG A 180 -3.747 -20.814 -0.325 1.00 20.21 H new ATOM 0 HH12 ARG A 180 -3.412 -21.840 -1.724 1.00 20.21 H new ATOM 0 HH21 ARG A 180 -0.727 -23.512 -0.217 1.00 43.21 H new ATOM 0 HH22 ARG A 180 -1.728 -23.343 -1.663 1.00 43.21 H new