USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 808 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 71 ASN : amide:sc= -0.63 K(o=-0.16,f=-3.4!) USER MOD Set 1.2: A 75 THR OG1 : rot 80:sc= 0.153 USER MOD Set 1.3: A 77 THR OG1 : rot 180:sc= 0.313 USER MOD Set 2.1: A 46 THR OG1 : rot 166:sc= 0.924 USER MOD Set 2.2: A 76 CYS SG : rot 180:sc= 0.783 USER MOD Set 3.1: A 41 THR OG1 : rot -119:sc= -0.207 USER MOD Set 3.2: A 79 THR OG1 : rot 180:sc= 0.605 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0846 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 134:sc= 0.0506 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 19:sc= 0.434 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0242 F(o=-1.3,f=-0.024) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 41:sc= 0.205 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 160:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.0254 (180deg=-0.228) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.174 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot -20:sc= 0.26 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 158:sc= 0.431 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -156:sc= -1.92 (180deg=-2.82!) USER MOD Single : A 94 TYR OH : rot 104:sc= 1.08 USER MOD Single : A 95 ASN : amide:sc= -0.988 X(o=-0.99,f=-1.2!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 16:sc= 0.806 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -57:sc= 0.00623 USER MOD Single : A 115 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.861 9.769 18.238 1.00 0.00 N ATOM 2 CA GLY A 1 -32.146 8.970 17.260 1.00 0.00 C ATOM 3 C GLY A 1 -32.009 9.674 15.925 1.00 0.00 C ATOM 4 O GLY A 1 -32.519 10.780 15.743 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.247 9.945 19.059 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.136 10.676 17.811 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.713 9.259 18.547 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.155 8.732 17.645 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.668 8.024 17.117 1.00 0.00 H new ATOM 8 N SER A 2 -31.318 9.033 14.988 1.00 0.00 N ATOM 9 CA SER A 2 -31.111 9.607 13.664 1.00 0.00 C ATOM 10 C SER A 2 -31.122 8.521 12.593 1.00 0.00 C ATOM 11 O SER A 2 -31.211 7.332 12.900 1.00 0.00 O ATOM 12 CB SER A 2 -29.786 10.372 13.617 1.00 0.00 C ATOM 13 OG SER A 2 -29.747 11.383 14.609 1.00 0.00 O ATOM 0 H SER A 2 -30.892 8.116 15.121 1.00 0.00 H new ATOM 0 HA SER A 2 -31.929 10.299 13.464 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.957 9.680 13.765 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.655 10.819 12.632 1.00 0.00 H new ATOM 0 HG SER A 2 -28.890 11.857 14.560 1.00 0.00 H new ATOM 19 N SER A 3 -31.030 8.938 11.334 1.00 0.00 N ATOM 20 CA SER A 3 -31.033 8.002 10.216 1.00 0.00 C ATOM 21 C SER A 3 -30.487 8.662 8.953 1.00 0.00 C ATOM 22 O SER A 3 -30.186 9.855 8.943 1.00 0.00 O ATOM 23 CB SER A 3 -32.449 7.483 9.962 1.00 0.00 C ATOM 24 OG SER A 3 -32.422 6.189 9.385 1.00 0.00 O ATOM 0 H SER A 3 -30.952 9.918 11.063 1.00 0.00 H new ATOM 0 HA SER A 3 -30.387 7.163 10.475 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.003 7.455 10.900 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.978 8.169 9.300 1.00 0.00 H new ATOM 0 HG SER A 3 -33.339 5.879 9.234 1.00 0.00 H new ATOM 30 N GLY A 4 -30.361 7.875 7.889 1.00 0.00 N ATOM 31 CA GLY A 4 -29.852 8.399 6.635 1.00 0.00 C ATOM 32 C GLY A 4 -29.240 7.322 5.762 1.00 0.00 C ATOM 33 O GLY A 4 -29.079 6.180 6.194 1.00 0.00 O ATOM 0 H GLY A 4 -30.602 6.884 7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.663 8.885 6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.103 9.164 6.842 1.00 0.00 H new ATOM 37 N SER A 5 -28.900 7.683 4.529 1.00 0.00 N ATOM 38 CA SER A 5 -28.308 6.737 3.591 1.00 0.00 C ATOM 39 C SER A 5 -27.616 7.469 2.445 1.00 0.00 C ATOM 40 O SER A 5 -27.910 8.632 2.170 1.00 0.00 O ATOM 41 CB SER A 5 -29.380 5.797 3.037 1.00 0.00 C ATOM 42 OG SER A 5 -28.829 4.534 2.706 1.00 0.00 O ATOM 0 H SER A 5 -29.024 8.624 4.156 1.00 0.00 H new ATOM 0 HA SER A 5 -27.562 6.150 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.173 5.670 3.774 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.836 6.241 2.152 1.00 0.00 H new ATOM 0 HG SER A 5 -29.535 3.951 2.356 1.00 0.00 H new ATOM 48 N SER A 6 -26.696 6.778 1.780 1.00 0.00 N ATOM 49 CA SER A 6 -25.958 7.363 0.666 1.00 0.00 C ATOM 50 C SER A 6 -25.811 6.359 -0.474 1.00 0.00 C ATOM 51 O SER A 6 -25.626 5.165 -0.245 1.00 0.00 O ATOM 52 CB SER A 6 -24.578 7.830 1.129 1.00 0.00 C ATOM 53 OG SER A 6 -23.741 8.125 0.024 1.00 0.00 O ATOM 0 H SER A 6 -26.444 5.813 1.993 1.00 0.00 H new ATOM 0 HA SER A 6 -26.521 8.222 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.682 8.715 1.757 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.116 7.057 1.743 1.00 0.00 H new ATOM 0 HG SER A 6 -22.865 8.423 0.347 1.00 0.00 H new ATOM 59 N GLY A 7 -25.897 6.855 -1.705 1.00 0.00 N ATOM 60 CA GLY A 7 -25.771 5.990 -2.864 1.00 0.00 C ATOM 61 C GLY A 7 -24.789 6.527 -3.885 1.00 0.00 C ATOM 62 O GLY A 7 -24.322 7.662 -3.792 1.00 0.00 O ATOM 0 H GLY A 7 -26.052 7.840 -1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.449 5.000 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.748 5.871 -3.332 1.00 0.00 H new ATOM 66 N PRO A 8 -24.459 5.699 -4.887 1.00 0.00 N ATOM 67 CA PRO A 8 -23.521 6.075 -5.949 1.00 0.00 C ATOM 68 C PRO A 8 -24.097 7.134 -6.883 1.00 0.00 C ATOM 69 O PRO A 8 -23.405 7.637 -7.767 1.00 0.00 O ATOM 70 CB PRO A 8 -23.294 4.763 -6.704 1.00 0.00 C ATOM 71 CG PRO A 8 -24.523 3.961 -6.446 1.00 0.00 C ATOM 72 CD PRO A 8 -24.977 4.331 -5.061 1.00 0.00 C ATOM 0 HA PRO A 8 -22.608 6.515 -5.548 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -23.153 4.939 -7.770 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -22.403 4.249 -6.345 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -25.296 4.183 -7.182 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -24.314 2.894 -6.516 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -26.063 4.298 -4.972 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -24.575 3.650 -4.311 1.00 0.00 H new ATOM 80 N GLU A 9 -25.368 7.467 -6.680 1.00 0.00 N ATOM 81 CA GLU A 9 -26.036 8.466 -7.505 1.00 0.00 C ATOM 82 C GLU A 9 -25.435 9.851 -7.277 1.00 0.00 C ATOM 83 O GLU A 9 -25.699 10.494 -6.262 1.00 0.00 O ATOM 84 CB GLU A 9 -27.535 8.493 -7.200 1.00 0.00 C ATOM 85 CG GLU A 9 -28.258 7.214 -7.589 1.00 0.00 C ATOM 86 CD GLU A 9 -28.553 7.139 -9.074 1.00 0.00 C ATOM 87 OE1 GLU A 9 -27.648 7.452 -9.876 1.00 0.00 O ATOM 88 OE2 GLU A 9 -29.690 6.767 -9.435 1.00 0.00 O ATOM 0 H GLU A 9 -25.955 7.060 -5.952 1.00 0.00 H new ATOM 0 HA GLU A 9 -25.890 8.193 -8.550 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -27.677 8.671 -6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -27.989 9.332 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -27.652 6.356 -7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -29.193 7.146 -7.033 1.00 0.00 H new ATOM 95 N SER A 10 -24.625 10.302 -8.230 1.00 0.00 N ATOM 96 CA SER A 10 -23.983 11.607 -8.132 1.00 0.00 C ATOM 97 C SER A 10 -24.207 12.420 -9.404 1.00 0.00 C ATOM 98 O SER A 10 -24.374 11.877 -10.496 1.00 0.00 O ATOM 99 CB SER A 10 -22.484 11.443 -7.876 1.00 0.00 C ATOM 100 OG SER A 10 -21.870 10.687 -8.906 1.00 0.00 O ATOM 0 H SER A 10 -24.398 9.783 -9.078 1.00 0.00 H new ATOM 0 HA SER A 10 -24.431 12.143 -7.295 1.00 0.00 H new ATOM 0 HB2 SER A 10 -22.014 12.424 -7.811 1.00 0.00 H new ATOM 0 HB3 SER A 10 -22.328 10.950 -6.916 1.00 0.00 H new ATOM 0 HG SER A 10 -21.044 11.131 -9.190 1.00 0.00 H new ATOM 106 N PRO A 11 -24.211 13.753 -9.260 1.00 0.00 N ATOM 107 CA PRO A 11 -24.413 14.671 -10.385 1.00 0.00 C ATOM 108 C PRO A 11 -23.229 14.680 -11.345 1.00 0.00 C ATOM 109 O PRO A 11 -22.125 14.266 -10.989 1.00 0.00 O ATOM 110 CB PRO A 11 -24.564 16.035 -9.708 1.00 0.00 C ATOM 111 CG PRO A 11 -23.837 15.898 -8.415 1.00 0.00 C ATOM 112 CD PRO A 11 -24.018 14.468 -7.987 1.00 0.00 C ATOM 0 HA PRO A 11 -25.270 14.386 -10.995 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.138 16.830 -10.320 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -25.613 16.284 -9.548 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -22.781 16.139 -8.534 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -24.238 16.583 -7.668 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -23.148 14.097 -7.446 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -24.877 14.352 -7.327 1.00 0.00 H new ATOM 120 N LEU A 12 -23.464 15.155 -12.563 1.00 0.00 N ATOM 121 CA LEU A 12 -22.416 15.219 -13.576 1.00 0.00 C ATOM 122 C LEU A 12 -21.415 16.324 -13.254 1.00 0.00 C ATOM 123 O LEU A 12 -21.746 17.296 -12.575 1.00 0.00 O ATOM 124 CB LEU A 12 -23.028 15.456 -14.957 1.00 0.00 C ATOM 125 CG LEU A 12 -23.899 14.327 -15.508 1.00 0.00 C ATOM 126 CD1 LEU A 12 -24.703 14.809 -16.706 1.00 0.00 C ATOM 127 CD2 LEU A 12 -23.042 13.128 -15.887 1.00 0.00 C ATOM 0 H LEU A 12 -24.372 15.502 -12.873 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.888 14.265 -13.579 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -23.629 16.364 -14.915 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.219 15.642 -15.664 1.00 0.00 H new ATOM 0 HG LEU A 12 -24.596 14.019 -14.729 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -25.317 13.992 -17.085 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -25.346 15.636 -16.404 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -24.023 15.145 -17.489 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -23.679 12.334 -16.277 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -22.321 13.423 -16.650 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -22.511 12.767 -15.006 1.00 0.00 H new ATOM 139 N GLN A 13 -20.190 16.168 -13.747 1.00 0.00 N ATOM 140 CA GLN A 13 -19.142 17.153 -13.512 1.00 0.00 C ATOM 141 C GLN A 13 -19.015 17.471 -12.026 1.00 0.00 C ATOM 142 O GLN A 13 -19.003 18.636 -11.628 1.00 0.00 O ATOM 143 CB GLN A 13 -19.432 18.434 -14.296 1.00 0.00 C ATOM 144 CG GLN A 13 -18.198 19.284 -14.552 1.00 0.00 C ATOM 145 CD GLN A 13 -18.513 20.555 -15.316 1.00 0.00 C ATOM 146 OE1 GLN A 13 -19.579 21.148 -15.145 1.00 0.00 O ATOM 147 NE2 GLN A 13 -17.585 20.982 -16.164 1.00 0.00 N ATOM 0 H GLN A 13 -19.900 15.369 -14.311 1.00 0.00 H new ATOM 0 HA GLN A 13 -18.198 16.730 -13.856 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -19.886 18.170 -15.251 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -20.164 19.027 -13.748 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.736 19.542 -13.599 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.468 18.699 -15.112 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.716 20.460 -16.274 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -17.741 21.833 -16.705 1.00 0.00 H new ATOM 156 N PHE A 14 -18.922 16.427 -11.209 1.00 0.00 N ATOM 157 CA PHE A 14 -18.797 16.594 -9.766 1.00 0.00 C ATOM 158 C PHE A 14 -17.351 16.399 -9.318 1.00 0.00 C ATOM 159 O PHE A 14 -16.825 15.287 -9.350 1.00 0.00 O ATOM 160 CB PHE A 14 -19.707 15.603 -9.036 1.00 0.00 C ATOM 161 CG PHE A 14 -19.187 14.194 -9.045 1.00 0.00 C ATOM 162 CD1 PHE A 14 -19.296 13.408 -10.181 1.00 0.00 C ATOM 163 CD2 PHE A 14 -18.588 13.655 -7.918 1.00 0.00 C ATOM 164 CE1 PHE A 14 -18.820 12.111 -10.192 1.00 0.00 C ATOM 165 CE2 PHE A 14 -18.109 12.358 -7.922 1.00 0.00 C ATOM 166 CZ PHE A 14 -18.224 11.586 -9.061 1.00 0.00 C ATOM 0 H PHE A 14 -18.931 15.456 -11.522 1.00 0.00 H new ATOM 0 HA PHE A 14 -19.102 17.610 -9.516 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -19.832 15.929 -8.003 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.694 15.621 -9.498 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.759 13.814 -11.068 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -18.494 14.255 -7.025 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -18.914 11.508 -11.083 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -17.646 11.950 -7.036 1.00 0.00 H new ATOM 0 HZ PHE A 14 -17.849 10.573 -9.068 1.00 0.00 H new ATOM 176 N TYR A 15 -16.716 17.489 -8.902 1.00 0.00 N ATOM 177 CA TYR A 15 -15.330 17.440 -8.451 1.00 0.00 C ATOM 178 C TYR A 15 -14.889 18.792 -7.900 1.00 0.00 C ATOM 179 O TYR A 15 -14.755 19.765 -8.642 1.00 0.00 O ATOM 180 CB TYR A 15 -14.412 17.021 -9.601 1.00 0.00 C ATOM 181 CG TYR A 15 -12.995 17.530 -9.460 1.00 0.00 C ATOM 182 CD1 TYR A 15 -12.631 18.776 -9.957 1.00 0.00 C ATOM 183 CD2 TYR A 15 -12.020 16.765 -8.832 1.00 0.00 C ATOM 184 CE1 TYR A 15 -11.338 19.245 -9.831 1.00 0.00 C ATOM 185 CE2 TYR A 15 -10.725 17.227 -8.701 1.00 0.00 C ATOM 186 CZ TYR A 15 -10.388 18.467 -9.202 1.00 0.00 C ATOM 187 OH TYR A 15 -9.099 18.929 -9.075 1.00 0.00 O ATOM 0 H TYR A 15 -17.138 18.417 -8.868 1.00 0.00 H new ATOM 0 HA TYR A 15 -15.260 16.702 -7.652 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -14.394 15.933 -9.663 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -14.829 17.387 -10.539 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.372 19.388 -10.450 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -12.279 15.793 -8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -11.072 20.216 -10.223 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -9.980 16.620 -8.209 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.556 18.260 -8.607 1.00 0.00 H new ATOM 197 N VAL A 16 -14.663 18.845 -6.591 1.00 0.00 N ATOM 198 CA VAL A 16 -14.234 20.076 -5.938 1.00 0.00 C ATOM 199 C VAL A 16 -13.039 19.827 -5.025 1.00 0.00 C ATOM 200 O VAL A 16 -13.055 18.916 -4.199 1.00 0.00 O ATOM 201 CB VAL A 16 -15.375 20.700 -5.112 1.00 0.00 C ATOM 202 CG1 VAL A 16 -16.432 21.299 -6.028 1.00 0.00 C ATOM 203 CG2 VAL A 16 -15.989 19.663 -4.184 1.00 0.00 C ATOM 0 H VAL A 16 -14.770 18.049 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.945 20.769 -6.728 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.961 21.502 -4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.230 21.735 -5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.980 22.074 -6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -16.845 20.518 -6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -16.793 20.121 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -16.389 18.838 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -15.225 19.286 -3.504 1.00 0.00 H new ATOM 213 N ASN A 17 -12.002 20.645 -5.181 1.00 0.00 N ATOM 214 CA ASN A 17 -10.797 20.513 -4.371 1.00 0.00 C ATOM 215 C ASN A 17 -10.492 21.814 -3.634 1.00 0.00 C ATOM 216 O ASN A 17 -10.503 22.893 -4.227 1.00 0.00 O ATOM 217 CB ASN A 17 -9.607 20.121 -5.249 1.00 0.00 C ATOM 218 CG ASN A 17 -8.339 19.913 -4.444 1.00 0.00 C ATOM 219 OD1 ASN A 17 -8.363 19.315 -3.369 1.00 0.00 O ATOM 220 ND2 ASN A 17 -7.221 20.408 -4.964 1.00 0.00 N ATOM 0 H ASN A 17 -11.973 21.405 -5.860 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.969 19.729 -3.633 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.845 19.205 -5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.438 20.898 -5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.336 20.299 -4.468 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.248 20.897 -5.859 1.00 0.00 H new ATOM 227 N TYR A 18 -10.220 21.704 -2.339 1.00 0.00 N ATOM 228 CA TYR A 18 -9.914 22.871 -1.520 1.00 0.00 C ATOM 229 C TYR A 18 -8.918 22.518 -0.419 1.00 0.00 C ATOM 230 O TYR A 18 -8.839 21.379 0.040 1.00 0.00 O ATOM 231 CB TYR A 18 -11.194 23.437 -0.903 1.00 0.00 C ATOM 232 CG TYR A 18 -12.069 24.172 -1.893 1.00 0.00 C ATOM 233 CD1 TYR A 18 -11.568 25.228 -2.644 1.00 0.00 C ATOM 234 CD2 TYR A 18 -13.398 23.811 -2.077 1.00 0.00 C ATOM 235 CE1 TYR A 18 -12.364 25.902 -3.549 1.00 0.00 C ATOM 236 CE2 TYR A 18 -14.201 24.479 -2.981 1.00 0.00 C ATOM 237 CZ TYR A 18 -13.680 25.524 -3.714 1.00 0.00 C ATOM 238 OH TYR A 18 -14.477 26.193 -4.615 1.00 0.00 O ATOM 0 H TYR A 18 -10.205 20.818 -1.833 1.00 0.00 H new ATOM 0 HA TYR A 18 -9.464 23.627 -2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.766 22.621 -0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.928 24.115 -0.092 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -10.538 25.527 -2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.810 22.994 -1.503 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.958 26.721 -4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -15.232 24.184 -3.113 1.00 0.00 H new ATOM 0 HH TYR A 18 -15.375 25.802 -4.610 1.00 0.00 H new ATOM 248 N PRO A 19 -8.140 23.520 0.016 1.00 0.00 N ATOM 249 CA PRO A 19 -7.135 23.342 1.069 1.00 0.00 C ATOM 250 C PRO A 19 -7.766 23.107 2.438 1.00 0.00 C ATOM 251 O PRO A 19 -7.066 22.990 3.442 1.00 0.00 O ATOM 252 CB PRO A 19 -6.368 24.666 1.055 1.00 0.00 C ATOM 253 CG PRO A 19 -7.332 25.657 0.501 1.00 0.00 C ATOM 254 CD PRO A 19 -8.180 24.904 -0.486 1.00 0.00 C ATOM 0 HA PRO A 19 -6.508 22.468 0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.044 24.946 2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.472 24.598 0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.945 26.089 1.292 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.809 26.481 0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.199 25.291 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.780 24.976 -1.497 1.00 0.00 H new ATOM 262 N ASN A 20 -9.093 23.038 2.469 1.00 0.00 N ATOM 263 CA ASN A 20 -9.818 22.817 3.715 1.00 0.00 C ATOM 264 C ASN A 20 -9.030 21.902 4.647 1.00 0.00 C ATOM 265 O ASN A 20 -8.995 22.114 5.859 1.00 0.00 O ATOM 266 CB ASN A 20 -11.193 22.210 3.429 1.00 0.00 C ATOM 267 CG ASN A 20 -12.065 22.145 4.667 1.00 0.00 C ATOM 268 OD1 ASN A 20 -12.157 21.107 5.322 1.00 0.00 O ATOM 269 ND2 ASN A 20 -12.713 23.258 4.993 1.00 0.00 N ATOM 0 H ASN A 20 -9.688 23.132 1.646 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.949 23.781 4.206 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.696 22.802 2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.067 21.206 3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.316 23.275 5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.607 24.096 4.421 1.00 0.00 H new ATOM 276 N SER A 21 -8.398 20.883 4.073 1.00 0.00 N ATOM 277 CA SER A 21 -7.612 19.933 4.853 1.00 0.00 C ATOM 278 C SER A 21 -6.601 19.210 3.969 1.00 0.00 C ATOM 279 O SER A 21 -6.799 19.073 2.763 1.00 0.00 O ATOM 280 CB SER A 21 -8.531 18.916 5.533 1.00 0.00 C ATOM 281 OG SER A 21 -7.831 18.172 6.514 1.00 0.00 O ATOM 0 H SER A 21 -8.415 20.694 3.071 1.00 0.00 H new ATOM 0 HA SER A 21 -7.069 20.489 5.617 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.372 19.433 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.945 18.239 4.786 1.00 0.00 H new ATOM 0 HG SER A 21 -8.441 17.531 6.935 1.00 0.00 H new ATOM 287 N GLY A 22 -5.514 18.748 4.580 1.00 0.00 N ATOM 288 CA GLY A 22 -4.486 18.045 3.835 1.00 0.00 C ATOM 289 C GLY A 22 -3.877 16.902 4.623 1.00 0.00 C ATOM 290 O GLY A 22 -3.072 17.123 5.527 1.00 0.00 O ATOM 0 H GLY A 22 -5.327 18.848 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.913 17.657 2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.701 18.747 3.554 1.00 0.00 H new ATOM 294 N SER A 23 -4.264 15.678 4.282 1.00 0.00 N ATOM 295 CA SER A 23 -3.755 14.496 4.968 1.00 0.00 C ATOM 296 C SER A 23 -3.807 13.274 4.057 1.00 0.00 C ATOM 297 O SER A 23 -4.510 13.268 3.046 1.00 0.00 O ATOM 298 CB SER A 23 -4.563 14.232 6.241 1.00 0.00 C ATOM 299 OG SER A 23 -4.090 15.022 7.318 1.00 0.00 O ATOM 0 H SER A 23 -4.929 15.478 3.535 1.00 0.00 H new ATOM 0 HA SER A 23 -2.715 14.682 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.615 14.451 6.060 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.498 13.176 6.504 1.00 0.00 H new ATOM 0 HG SER A 23 -3.565 15.771 6.968 1.00 0.00 H new ATOM 305 N VAL A 24 -3.056 12.239 4.422 1.00 0.00 N ATOM 306 CA VAL A 24 -3.016 11.010 3.639 1.00 0.00 C ATOM 307 C VAL A 24 -3.999 9.979 4.183 1.00 0.00 C ATOM 308 O VAL A 24 -4.057 9.737 5.388 1.00 0.00 O ATOM 309 CB VAL A 24 -1.603 10.398 3.627 1.00 0.00 C ATOM 310 CG1 VAL A 24 -1.608 9.056 2.911 1.00 0.00 C ATOM 311 CG2 VAL A 24 -0.614 11.354 2.977 1.00 0.00 C ATOM 0 H VAL A 24 -2.467 12.228 5.255 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.298 11.275 2.620 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.289 10.232 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.601 8.639 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.285 8.372 3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.942 9.194 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.379 10.905 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.922 11.554 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.590 12.289 3.537 1.00 0.00 H new ATOM 321 N SER A 25 -4.771 9.374 3.285 1.00 0.00 N ATOM 322 CA SER A 25 -5.755 8.372 3.675 1.00 0.00 C ATOM 323 C SER A 25 -5.630 7.122 2.808 1.00 0.00 C ATOM 324 O SER A 25 -5.592 7.207 1.581 1.00 0.00 O ATOM 325 CB SER A 25 -7.169 8.944 3.564 1.00 0.00 C ATOM 326 OG SER A 25 -7.371 9.990 4.499 1.00 0.00 O ATOM 0 H SER A 25 -4.733 9.561 2.283 1.00 0.00 H new ATOM 0 HA SER A 25 -5.564 8.095 4.712 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.335 9.318 2.554 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.899 8.153 3.735 1.00 0.00 H new ATOM 0 HG SER A 25 -8.282 10.340 4.407 1.00 0.00 H new ATOM 332 N ALA A 26 -5.568 5.964 3.456 1.00 0.00 N ATOM 333 CA ALA A 26 -5.450 4.697 2.746 1.00 0.00 C ATOM 334 C ALA A 26 -6.771 3.935 2.758 1.00 0.00 C ATOM 335 O ALA A 26 -7.349 3.693 3.818 1.00 0.00 O ATOM 336 CB ALA A 26 -4.344 3.849 3.358 1.00 0.00 C ATOM 0 H ALA A 26 -5.598 5.877 4.472 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.195 4.914 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.267 2.906 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.396 4.384 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.575 3.650 4.404 1.00 0.00 H new ATOM 342 N TYR A 27 -7.244 3.561 1.574 1.00 0.00 N ATOM 343 CA TYR A 27 -8.499 2.829 1.449 1.00 0.00 C ATOM 344 C TYR A 27 -8.492 1.945 0.206 1.00 0.00 C ATOM 345 O TYR A 27 -7.740 2.185 -0.737 1.00 0.00 O ATOM 346 CB TYR A 27 -9.677 3.803 1.389 1.00 0.00 C ATOM 347 CG TYR A 27 -9.799 4.526 0.067 1.00 0.00 C ATOM 348 CD1 TYR A 27 -8.863 5.480 -0.314 1.00 0.00 C ATOM 349 CD2 TYR A 27 -10.850 4.256 -0.801 1.00 0.00 C ATOM 350 CE1 TYR A 27 -8.971 6.143 -1.521 1.00 0.00 C ATOM 351 CE2 TYR A 27 -10.965 4.914 -2.010 1.00 0.00 C ATOM 352 CZ TYR A 27 -10.023 5.856 -2.366 1.00 0.00 C ATOM 353 OH TYR A 27 -10.134 6.515 -3.569 1.00 0.00 O ATOM 0 H TYR A 27 -6.777 3.753 0.687 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.608 2.191 2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.600 3.256 1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.571 4.538 2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.038 5.707 0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.590 3.519 -0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.236 6.882 -1.802 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.788 4.692 -2.673 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.929 6.196 -4.045 1.00 0.00 H new ATOM 363 N GLY A 28 -9.338 0.918 0.213 1.00 0.00 N ATOM 364 CA GLY A 28 -9.415 0.013 -0.918 1.00 0.00 C ATOM 365 C GLY A 28 -9.692 -1.417 -0.498 1.00 0.00 C ATOM 366 O GLY A 28 -9.523 -1.789 0.663 1.00 0.00 O ATOM 0 H GLY A 28 -9.971 0.698 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.201 0.348 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.478 0.050 -1.474 1.00 0.00 H new ATOM 370 N PRO A 29 -10.130 -2.246 -1.458 1.00 0.00 N ATOM 371 CA PRO A 29 -10.442 -3.655 -1.205 1.00 0.00 C ATOM 372 C PRO A 29 -9.193 -4.484 -0.923 1.00 0.00 C ATOM 373 O PRO A 29 -9.276 -5.686 -0.678 1.00 0.00 O ATOM 374 CB PRO A 29 -11.104 -4.111 -2.508 1.00 0.00 C ATOM 375 CG PRO A 29 -10.565 -3.192 -3.548 1.00 0.00 C ATOM 376 CD PRO A 29 -10.354 -1.870 -2.864 1.00 0.00 C ATOM 0 HA PRO A 29 -11.071 -3.781 -0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -10.861 -5.150 -2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.190 -4.044 -2.445 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.630 -3.573 -3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.262 -3.094 -4.381 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.499 -1.335 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.221 -1.218 -2.973 1.00 0.00 H new ATOM 384 N GLY A 30 -8.035 -3.832 -0.960 1.00 0.00 N ATOM 385 CA GLY A 30 -6.785 -4.524 -0.707 1.00 0.00 C ATOM 386 C GLY A 30 -6.323 -4.380 0.730 1.00 0.00 C ATOM 387 O GLY A 30 -5.484 -5.150 1.200 1.00 0.00 O ATOM 0 H GLY A 30 -7.940 -2.836 -1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.905 -5.581 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.016 -4.134 -1.374 1.00 0.00 H new ATOM 391 N LEU A 31 -6.870 -3.392 1.429 1.00 0.00 N ATOM 392 CA LEU A 31 -6.508 -3.148 2.821 1.00 0.00 C ATOM 393 C LEU A 31 -7.533 -3.766 3.766 1.00 0.00 C ATOM 394 O LEU A 31 -7.183 -4.270 4.834 1.00 0.00 O ATOM 395 CB LEU A 31 -6.396 -1.645 3.083 1.00 0.00 C ATOM 396 CG LEU A 31 -5.489 -0.863 2.132 1.00 0.00 C ATOM 397 CD1 LEU A 31 -5.769 0.629 2.234 1.00 0.00 C ATOM 398 CD2 LEU A 31 -4.026 -1.155 2.430 1.00 0.00 C ATOM 0 H LEU A 31 -7.566 -2.747 1.055 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.541 -3.616 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.396 -1.213 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.033 -1.500 4.100 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.702 -1.183 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.114 1.170 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.809 0.823 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.585 0.965 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.395 -0.590 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.798 -0.864 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.835 -2.221 2.305 1.00 0.00 H new ATOM 410 N VAL A 32 -8.800 -3.725 3.366 1.00 0.00 N ATOM 411 CA VAL A 32 -9.875 -4.284 4.176 1.00 0.00 C ATOM 412 C VAL A 32 -9.773 -5.803 4.253 1.00 0.00 C ATOM 413 O VAL A 32 -9.870 -6.389 5.331 1.00 0.00 O ATOM 414 CB VAL A 32 -11.258 -3.902 3.615 1.00 0.00 C ATOM 415 CG1 VAL A 32 -12.365 -4.477 4.484 1.00 0.00 C ATOM 416 CG2 VAL A 32 -11.387 -2.390 3.504 1.00 0.00 C ATOM 0 H VAL A 32 -9.107 -3.310 2.486 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.768 -3.864 5.176 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.356 -4.327 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.334 -4.196 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.282 -5.564 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -12.274 -4.084 5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.370 -2.137 3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.268 -1.941 4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.615 -2.007 2.836 1.00 0.00 H new ATOM 426 N TYR A 33 -9.576 -6.436 3.102 1.00 0.00 N ATOM 427 CA TYR A 33 -9.462 -7.888 3.037 1.00 0.00 C ATOM 428 C TYR A 33 -8.873 -8.330 1.701 1.00 0.00 C ATOM 429 O TYR A 33 -8.681 -7.519 0.796 1.00 0.00 O ATOM 430 CB TYR A 33 -10.831 -8.538 3.244 1.00 0.00 C ATOM 431 CG TYR A 33 -11.913 -7.966 2.355 1.00 0.00 C ATOM 432 CD1 TYR A 33 -11.802 -8.019 0.971 1.00 0.00 C ATOM 433 CD2 TYR A 33 -13.045 -7.372 2.899 1.00 0.00 C ATOM 434 CE1 TYR A 33 -12.787 -7.498 0.155 1.00 0.00 C ATOM 435 CE2 TYR A 33 -14.036 -6.849 2.091 1.00 0.00 C ATOM 436 CZ TYR A 33 -13.902 -6.914 0.720 1.00 0.00 C ATOM 437 OH TYR A 33 -14.887 -6.393 -0.088 1.00 0.00 O ATOM 0 H TYR A 33 -9.492 -5.966 2.201 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.790 -8.210 3.833 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.748 -9.609 3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -11.127 -8.418 4.286 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.930 -8.475 0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.152 -7.318 3.972 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.685 -7.547 -0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -14.910 -6.392 2.530 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.603 -6.020 0.468 1.00 0.00 H new ATOM 447 N GLY A 34 -8.590 -9.624 1.585 1.00 0.00 N ATOM 448 CA GLY A 34 -8.027 -10.153 0.356 1.00 0.00 C ATOM 449 C GLY A 34 -8.333 -11.625 0.165 1.00 0.00 C ATOM 450 O GLY A 34 -9.278 -12.152 0.753 1.00 0.00 O ATOM 0 H GLY A 34 -8.740 -10.315 2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.419 -9.591 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.947 -10.007 0.363 1.00 0.00 H new ATOM 454 N VAL A 35 -7.534 -12.292 -0.661 1.00 0.00 N ATOM 455 CA VAL A 35 -7.724 -13.712 -0.930 1.00 0.00 C ATOM 456 C VAL A 35 -6.417 -14.372 -1.353 1.00 0.00 C ATOM 457 O VAL A 35 -5.645 -13.804 -2.125 1.00 0.00 O ATOM 458 CB VAL A 35 -8.780 -13.939 -2.028 1.00 0.00 C ATOM 459 CG1 VAL A 35 -8.952 -15.425 -2.304 1.00 0.00 C ATOM 460 CG2 VAL A 35 -10.105 -13.305 -1.631 1.00 0.00 C ATOM 0 H VAL A 35 -6.748 -11.871 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.072 -14.165 -0.002 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.435 -13.461 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.702 -15.566 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.002 -15.846 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.275 -15.929 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.840 -13.475 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.458 -13.752 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.967 -12.233 -1.488 1.00 0.00 H new ATOM 470 N ALA A 36 -6.175 -15.575 -0.843 1.00 0.00 N ATOM 471 CA ALA A 36 -4.961 -16.313 -1.170 1.00 0.00 C ATOM 472 C ALA A 36 -4.691 -16.288 -2.671 1.00 0.00 C ATOM 473 O ALA A 36 -5.574 -16.583 -3.475 1.00 0.00 O ATOM 474 CB ALA A 36 -5.067 -17.748 -0.675 1.00 0.00 C ATOM 0 H ALA A 36 -6.803 -16.059 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.124 -15.828 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.154 -18.288 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.205 -17.751 0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.918 -18.235 -1.150 1.00 0.00 H new ATOM 480 N ASN A 37 -3.465 -15.933 -3.041 1.00 0.00 N ATOM 481 CA ASN A 37 -3.080 -15.868 -4.446 1.00 0.00 C ATOM 482 C ASN A 37 -4.109 -15.087 -5.257 1.00 0.00 C ATOM 483 O ASN A 37 -4.541 -15.528 -6.323 1.00 0.00 O ATOM 484 CB ASN A 37 -2.925 -17.278 -5.020 1.00 0.00 C ATOM 485 CG ASN A 37 -1.639 -17.946 -4.572 1.00 0.00 C ATOM 486 OD1 ASN A 37 -1.389 -17.935 -3.268 1.00 0.00 O flip ATOM 487 ND2 ASN A 37 -0.879 -18.466 -5.390 1.00 0.00 N flip ATOM 0 H ASN A 37 -2.721 -15.686 -2.388 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.123 -15.349 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.774 -17.888 -4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.946 -17.229 -6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.111 -18.451 -6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.018 -18.912 -5.074 1.00 0.00 H new ATOM 494 N LYS A 38 -4.499 -13.925 -4.745 1.00 0.00 N ATOM 495 CA LYS A 38 -5.477 -13.080 -5.421 1.00 0.00 C ATOM 496 C LYS A 38 -4.951 -11.656 -5.575 1.00 0.00 C ATOM 497 O LYS A 38 -4.170 -11.179 -4.752 1.00 0.00 O ATOM 498 CB LYS A 38 -6.795 -13.067 -4.644 1.00 0.00 C ATOM 499 CG LYS A 38 -7.973 -12.554 -5.454 1.00 0.00 C ATOM 500 CD LYS A 38 -8.390 -13.548 -6.525 1.00 0.00 C ATOM 501 CE LYS A 38 -9.422 -14.533 -5.999 1.00 0.00 C ATOM 502 NZ LYS A 38 -10.277 -15.077 -7.090 1.00 0.00 N ATOM 0 H LYS A 38 -4.153 -13.546 -3.863 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.653 -13.494 -6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.014 -14.078 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.677 -12.446 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.815 -12.359 -4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.709 -11.605 -5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.800 -13.012 -7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.514 -14.091 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.915 -15.354 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.050 -14.039 -5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.967 -15.744 -6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.781 -14.297 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.681 -15.570 -7.785 1.00 0.00 H new ATOM 516 N THR A 39 -5.387 -10.980 -6.634 1.00 0.00 N ATOM 517 CA THR A 39 -4.961 -9.611 -6.895 1.00 0.00 C ATOM 518 C THR A 39 -5.630 -8.635 -5.934 1.00 0.00 C ATOM 519 O THR A 39 -6.854 -8.500 -5.924 1.00 0.00 O ATOM 520 CB THR A 39 -5.280 -9.190 -8.342 1.00 0.00 C ATOM 521 OG1 THR A 39 -6.640 -9.508 -8.656 1.00 0.00 O ATOM 522 CG2 THR A 39 -4.351 -9.885 -9.325 1.00 0.00 C ATOM 0 H THR A 39 -6.035 -11.359 -7.325 1.00 0.00 H new ATOM 0 HA THR A 39 -3.882 -9.581 -6.746 1.00 0.00 H new ATOM 0 HB THR A 39 -5.131 -8.113 -8.425 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.210 -9.300 -7.887 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.595 -9.572 -10.340 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.318 -9.617 -9.101 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.472 -10.965 -9.239 1.00 0.00 H new ATOM 530 N ALA A 40 -4.820 -7.955 -5.129 1.00 0.00 N ATOM 531 CA ALA A 40 -5.335 -6.989 -4.167 1.00 0.00 C ATOM 532 C ALA A 40 -4.623 -5.647 -4.303 1.00 0.00 C ATOM 533 O ALA A 40 -3.442 -5.522 -3.978 1.00 0.00 O ATOM 534 CB ALA A 40 -5.188 -7.525 -2.750 1.00 0.00 C ATOM 0 H ALA A 40 -3.805 -8.055 -5.124 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.393 -6.833 -4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.577 -6.793 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.747 -8.456 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.135 -7.711 -2.539 1.00 0.00 H new ATOM 540 N THR A 41 -5.349 -4.643 -4.785 1.00 0.00 N ATOM 541 CA THR A 41 -4.787 -3.311 -4.966 1.00 0.00 C ATOM 542 C THR A 41 -5.676 -2.248 -4.329 1.00 0.00 C ATOM 543 O THR A 41 -6.900 -2.292 -4.454 1.00 0.00 O ATOM 544 CB THR A 41 -4.598 -2.978 -6.458 1.00 0.00 C ATOM 545 OG1 THR A 41 -3.709 -3.925 -7.062 1.00 0.00 O ATOM 546 CG2 THR A 41 -4.046 -1.572 -6.634 1.00 0.00 C ATOM 0 H THR A 41 -6.328 -4.728 -5.057 1.00 0.00 H new ATOM 0 HA THR A 41 -3.814 -3.310 -4.475 1.00 0.00 H new ATOM 0 HB THR A 41 -5.571 -3.031 -6.946 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.922 -3.458 -7.413 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.921 -1.360 -7.696 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.739 -0.852 -6.199 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.081 -1.495 -6.133 1.00 0.00 H new ATOM 554 N PHE A 42 -5.052 -1.294 -3.647 1.00 0.00 N ATOM 555 CA PHE A 42 -5.787 -0.219 -2.990 1.00 0.00 C ATOM 556 C PHE A 42 -5.300 1.145 -3.470 1.00 0.00 C ATOM 557 O PHE A 42 -4.235 1.260 -4.078 1.00 0.00 O ATOM 558 CB PHE A 42 -5.633 -0.322 -1.471 1.00 0.00 C ATOM 559 CG PHE A 42 -4.209 -0.478 -1.021 1.00 0.00 C ATOM 560 CD1 PHE A 42 -3.502 -1.635 -1.305 1.00 0.00 C ATOM 561 CD2 PHE A 42 -3.576 0.533 -0.315 1.00 0.00 C ATOM 562 CE1 PHE A 42 -2.191 -1.781 -0.892 1.00 0.00 C ATOM 563 CE2 PHE A 42 -2.266 0.392 0.100 1.00 0.00 C ATOM 564 CZ PHE A 42 -1.572 -0.766 -0.190 1.00 0.00 C ATOM 0 H PHE A 42 -4.040 -1.243 -3.535 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.841 -0.321 -3.250 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.055 0.571 -1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.214 -1.171 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.980 -2.432 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.113 1.442 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.651 -2.689 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.785 1.187 0.651 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.547 -0.878 0.132 1.00 0.00 H new ATOM 574 N THR A 43 -6.089 2.179 -3.193 1.00 0.00 N ATOM 575 CA THR A 43 -5.741 3.536 -3.598 1.00 0.00 C ATOM 576 C THR A 43 -5.398 4.399 -2.389 1.00 0.00 C ATOM 577 O THR A 43 -6.020 4.280 -1.333 1.00 0.00 O ATOM 578 CB THR A 43 -6.890 4.201 -4.380 1.00 0.00 C ATOM 579 OG1 THR A 43 -7.321 3.342 -5.442 1.00 0.00 O ATOM 580 CG2 THR A 43 -6.451 5.541 -4.950 1.00 0.00 C ATOM 0 H THR A 43 -6.973 2.103 -2.690 1.00 0.00 H new ATOM 0 HA THR A 43 -4.868 3.459 -4.246 1.00 0.00 H new ATOM 0 HB THR A 43 -7.719 4.371 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.053 3.771 -5.933 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.278 5.992 -5.498 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.151 6.202 -4.137 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.608 5.391 -5.625 1.00 0.00 H new ATOM 588 N ILE A 44 -4.405 5.266 -2.551 1.00 0.00 N ATOM 589 CA ILE A 44 -3.981 6.151 -1.473 1.00 0.00 C ATOM 590 C ILE A 44 -4.005 7.609 -1.916 1.00 0.00 C ATOM 591 O ILE A 44 -3.407 7.972 -2.929 1.00 0.00 O ATOM 592 CB ILE A 44 -2.564 5.799 -0.981 1.00 0.00 C ATOM 593 CG1 ILE A 44 -2.505 4.339 -0.529 1.00 0.00 C ATOM 594 CG2 ILE A 44 -2.152 6.727 0.152 1.00 0.00 C ATOM 595 CD1 ILE A 44 -1.142 3.707 -0.703 1.00 0.00 C ATOM 0 H ILE A 44 -3.879 5.375 -3.418 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.687 6.011 -0.654 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.865 5.932 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.792 4.280 0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.238 3.763 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.149 6.466 0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.160 7.758 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.852 6.622 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.175 2.672 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.860 3.734 -1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.407 4.259 -0.117 1.00 0.00 H new ATOM 607 N VAL A 45 -4.701 8.444 -1.149 1.00 0.00 N ATOM 608 CA VAL A 45 -4.802 9.864 -1.461 1.00 0.00 C ATOM 609 C VAL A 45 -3.478 10.577 -1.210 1.00 0.00 C ATOM 610 O VAL A 45 -3.332 11.318 -0.237 1.00 0.00 O ATOM 611 CB VAL A 45 -5.904 10.545 -0.628 1.00 0.00 C ATOM 612 CG1 VAL A 45 -5.970 12.032 -0.942 1.00 0.00 C ATOM 613 CG2 VAL A 45 -7.249 9.879 -0.880 1.00 0.00 C ATOM 0 H VAL A 45 -5.203 8.160 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.057 9.938 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.659 10.432 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.754 12.496 -0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.012 12.496 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.191 12.171 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.017 10.372 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.503 9.960 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.192 8.827 -0.600 1.00 0.00 H new ATOM 623 N THR A 46 -2.512 10.350 -2.095 1.00 0.00 N ATOM 624 CA THR A 46 -1.199 10.969 -1.970 1.00 0.00 C ATOM 625 C THR A 46 -1.202 12.384 -2.539 1.00 0.00 C ATOM 626 O THR A 46 -0.625 12.638 -3.596 1.00 0.00 O ATOM 627 CB THR A 46 -0.116 10.142 -2.689 1.00 0.00 C ATOM 628 OG1 THR A 46 -0.103 8.804 -2.178 1.00 0.00 O ATOM 629 CG2 THR A 46 1.256 10.772 -2.508 1.00 0.00 C ATOM 0 H THR A 46 -2.615 9.741 -2.907 1.00 0.00 H new ATOM 0 HA THR A 46 -0.969 11.008 -0.905 1.00 0.00 H new ATOM 0 HB THR A 46 -0.351 10.123 -3.753 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.418 8.230 -2.777 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.004 10.170 -3.024 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.251 11.780 -2.923 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.498 10.818 -1.446 1.00 0.00 H new ATOM 637 N GLU A 47 -1.854 13.300 -1.830 1.00 0.00 N ATOM 638 CA GLU A 47 -1.931 14.689 -2.266 1.00 0.00 C ATOM 639 C GLU A 47 -1.015 15.575 -1.427 1.00 0.00 C ATOM 640 O GLU A 47 -0.362 16.480 -1.946 1.00 0.00 O ATOM 641 CB GLU A 47 -3.372 15.196 -2.176 1.00 0.00 C ATOM 642 CG GLU A 47 -4.177 14.973 -3.445 1.00 0.00 C ATOM 643 CD GLU A 47 -4.586 13.525 -3.629 1.00 0.00 C ATOM 644 OE1 GLU A 47 -3.770 12.633 -3.315 1.00 0.00 O ATOM 645 OE2 GLU A 47 -5.722 13.283 -4.087 1.00 0.00 O ATOM 0 H GLU A 47 -2.336 13.105 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.601 14.736 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.872 14.697 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.360 16.261 -1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.069 15.598 -3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.589 15.293 -4.305 1.00 0.00 H new ATOM 652 N ASP A 48 -0.973 15.307 -0.126 1.00 0.00 N ATOM 653 CA ASP A 48 -0.137 16.078 0.786 1.00 0.00 C ATOM 654 C ASP A 48 1.096 15.280 1.200 1.00 0.00 C ATOM 655 O ASP A 48 1.506 15.310 2.359 1.00 0.00 O ATOM 656 CB ASP A 48 -0.936 16.483 2.026 1.00 0.00 C ATOM 657 CG ASP A 48 -0.388 17.733 2.686 1.00 0.00 C ATOM 658 OD1 ASP A 48 0.055 18.645 1.956 1.00 0.00 O ATOM 659 OD2 ASP A 48 -0.402 17.800 3.932 1.00 0.00 O ATOM 0 H ASP A 48 -1.508 14.562 0.320 1.00 0.00 H new ATOM 0 HA ASP A 48 0.192 16.977 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.976 16.650 1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.927 15.663 2.744 1.00 0.00 H new ATOM 664 N ALA A 49 1.682 14.568 0.243 1.00 0.00 N ATOM 665 CA ALA A 49 2.868 13.763 0.507 1.00 0.00 C ATOM 666 C ALA A 49 4.114 14.409 -0.089 1.00 0.00 C ATOM 667 O ALA A 49 4.622 13.967 -1.119 1.00 0.00 O ATOM 668 CB ALA A 49 2.685 12.356 -0.045 1.00 0.00 C ATOM 0 H ALA A 49 1.354 14.532 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 49 3.003 13.703 1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.578 11.766 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.824 11.887 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.522 12.406 -1.122 1.00 0.00 H new ATOM 674 N GLY A 50 4.601 15.459 0.565 1.00 0.00 N ATOM 675 CA GLY A 50 5.783 16.149 0.084 1.00 0.00 C ATOM 676 C GLY A 50 7.021 15.275 0.121 1.00 0.00 C ATOM 677 O GLY A 50 7.089 14.318 0.892 1.00 0.00 O ATOM 0 H GLY A 50 4.198 15.844 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.612 16.487 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.952 17.039 0.690 1.00 0.00 H new ATOM 681 N GLU A 51 8.001 15.602 -0.716 1.00 0.00 N ATOM 682 CA GLU A 51 9.240 14.837 -0.776 1.00 0.00 C ATOM 683 C GLU A 51 9.934 14.816 0.583 1.00 0.00 C ATOM 684 O GLU A 51 10.794 15.648 0.866 1.00 0.00 O ATOM 685 CB GLU A 51 10.179 15.427 -1.831 1.00 0.00 C ATOM 686 CG GLU A 51 11.406 14.573 -2.100 1.00 0.00 C ATOM 687 CD GLU A 51 12.559 14.898 -1.170 1.00 0.00 C ATOM 688 OE1 GLU A 51 13.148 15.990 -1.314 1.00 0.00 O ATOM 689 OE2 GLU A 51 12.872 14.061 -0.298 1.00 0.00 O ATOM 0 H GLU A 51 7.960 16.391 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 51 8.991 13.813 -1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.628 15.560 -2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.500 16.417 -1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.142 13.521 -1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.725 14.717 -3.132 1.00 0.00 H new ATOM 696 N GLY A 52 9.551 13.858 1.421 1.00 0.00 N ATOM 697 CA GLY A 52 10.145 13.746 2.741 1.00 0.00 C ATOM 698 C GLY A 52 10.712 12.365 3.006 1.00 0.00 C ATOM 699 O GLY A 52 11.871 12.093 2.696 1.00 0.00 O ATOM 0 H GLY A 52 8.840 13.157 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.938 14.487 2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.393 13.978 3.495 1.00 0.00 H new ATOM 703 N GLY A 53 9.893 11.491 3.584 1.00 0.00 N ATOM 704 CA GLY A 53 10.339 10.143 3.883 1.00 0.00 C ATOM 705 C GLY A 53 9.185 9.192 4.128 1.00 0.00 C ATOM 706 O GLY A 53 8.811 8.940 5.274 1.00 0.00 O ATOM 0 H GLY A 53 8.929 11.693 3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.943 9.771 3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.982 10.163 4.763 1.00 0.00 H new ATOM 710 N LEU A 54 8.617 8.663 3.050 1.00 0.00 N ATOM 711 CA LEU A 54 7.496 7.735 3.152 1.00 0.00 C ATOM 712 C LEU A 54 7.988 6.293 3.222 1.00 0.00 C ATOM 713 O LEU A 54 8.956 5.924 2.558 1.00 0.00 O ATOM 714 CB LEU A 54 6.554 7.908 1.959 1.00 0.00 C ATOM 715 CG LEU A 54 5.578 6.759 1.703 1.00 0.00 C ATOM 716 CD1 LEU A 54 4.369 6.872 2.620 1.00 0.00 C ATOM 717 CD2 LEU A 54 5.144 6.743 0.245 1.00 0.00 C ATOM 0 H LEU A 54 8.914 8.861 2.095 1.00 0.00 H new ATOM 0 HA LEU A 54 6.953 7.959 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.978 8.822 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.158 8.052 1.063 1.00 0.00 H new ATOM 0 HG LEU A 54 6.087 5.820 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.685 6.046 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.696 6.834 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.859 7.817 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.450 5.919 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.653 7.685 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.018 6.614 -0.393 1.00 0.00 H new ATOM 729 N ASP A 55 7.313 5.482 4.029 1.00 0.00 N ATOM 730 CA ASP A 55 7.679 4.079 4.184 1.00 0.00 C ATOM 731 C ASP A 55 6.471 3.174 3.962 1.00 0.00 C ATOM 732 O ASP A 55 5.345 3.525 4.320 1.00 0.00 O ATOM 733 CB ASP A 55 8.268 3.833 5.574 1.00 0.00 C ATOM 734 CG ASP A 55 9.160 2.608 5.617 1.00 0.00 C ATOM 735 OD1 ASP A 55 10.100 2.530 4.799 1.00 0.00 O ATOM 736 OD2 ASP A 55 8.917 1.726 6.467 1.00 0.00 O ATOM 0 H ASP A 55 6.509 5.772 4.586 1.00 0.00 H new ATOM 0 HA ASP A 55 8.432 3.841 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.841 4.707 5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.457 3.714 6.293 1.00 0.00 H new ATOM 741 N LEU A 56 6.710 2.010 3.370 1.00 0.00 N ATOM 742 CA LEU A 56 5.642 1.055 3.099 1.00 0.00 C ATOM 743 C LEU A 56 6.100 -0.371 3.386 1.00 0.00 C ATOM 744 O LEU A 56 6.932 -0.923 2.666 1.00 0.00 O ATOM 745 CB LEU A 56 5.182 1.172 1.645 1.00 0.00 C ATOM 746 CG LEU A 56 3.720 0.819 1.372 1.00 0.00 C ATOM 747 CD1 LEU A 56 2.830 2.034 1.582 1.00 0.00 C ATOM 748 CD2 LEU A 56 3.557 0.273 -0.039 1.00 0.00 C ATOM 0 H LEU A 56 7.635 1.704 3.068 1.00 0.00 H new ATOM 0 HA LEU A 56 4.805 1.288 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.356 2.195 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.811 0.526 1.033 1.00 0.00 H new ATOM 0 HG LEU A 56 3.415 0.045 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.793 1.764 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.924 2.380 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.134 2.830 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.510 0.027 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.880 1.025 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.165 -0.624 -0.154 1.00 0.00 H new ATOM 760 N ALA A 57 5.551 -0.963 4.442 1.00 0.00 N ATOM 761 CA ALA A 57 5.900 -2.326 4.822 1.00 0.00 C ATOM 762 C ALA A 57 4.667 -3.106 5.265 1.00 0.00 C ATOM 763 O ALA A 57 3.804 -2.575 5.965 1.00 0.00 O ATOM 764 CB ALA A 57 6.945 -2.315 5.928 1.00 0.00 C ATOM 0 H ALA A 57 4.862 -0.519 5.050 1.00 0.00 H new ATOM 0 HA ALA A 57 6.318 -2.824 3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.196 -3.340 6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.841 -1.803 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.548 -1.794 6.799 1.00 0.00 H new ATOM 770 N ILE A 58 4.590 -4.366 4.852 1.00 0.00 N ATOM 771 CA ILE A 58 3.462 -5.218 5.207 1.00 0.00 C ATOM 772 C ILE A 58 3.933 -6.501 5.884 1.00 0.00 C ATOM 773 O ILE A 58 4.845 -7.170 5.399 1.00 0.00 O ATOM 774 CB ILE A 58 2.620 -5.583 3.970 1.00 0.00 C ATOM 775 CG1 ILE A 58 1.977 -4.329 3.375 1.00 0.00 C ATOM 776 CG2 ILE A 58 1.556 -6.608 4.336 1.00 0.00 C ATOM 777 CD1 ILE A 58 1.387 -4.546 1.999 1.00 0.00 C ATOM 0 H ILE A 58 5.295 -4.820 4.271 1.00 0.00 H new ATOM 0 HA ILE A 58 2.844 -4.649 5.902 1.00 0.00 H new ATOM 0 HB ILE A 58 3.277 -6.023 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.193 -3.979 4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.725 -3.538 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.970 -6.855 3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.035 -7.510 4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.900 -6.194 5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.949 -3.615 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.171 -4.866 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.615 -5.314 2.051 1.00 0.00 H new ATOM 789 N GLU A 59 3.304 -6.838 7.005 1.00 0.00 N ATOM 790 CA GLU A 59 3.659 -8.042 7.748 1.00 0.00 C ATOM 791 C GLU A 59 2.510 -9.045 7.739 1.00 0.00 C ATOM 792 O GLU A 59 1.347 -8.673 7.590 1.00 0.00 O ATOM 793 CB GLU A 59 4.030 -7.687 9.189 1.00 0.00 C ATOM 794 CG GLU A 59 5.253 -6.793 9.301 1.00 0.00 C ATOM 795 CD GLU A 59 5.608 -6.467 10.738 1.00 0.00 C ATOM 796 OE1 GLU A 59 4.717 -6.564 11.607 1.00 0.00 O ATOM 797 OE2 GLU A 59 6.779 -6.114 10.994 1.00 0.00 O ATOM 0 H GLU A 59 2.546 -6.295 7.419 1.00 0.00 H new ATOM 0 HA GLU A 59 4.520 -8.499 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.183 -7.190 9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.211 -8.607 9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.101 -7.283 8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.072 -5.866 8.756 1.00 0.00 H new ATOM 804 N GLY A 60 2.845 -10.322 7.898 1.00 0.00 N ATOM 805 CA GLY A 60 1.831 -11.360 7.905 1.00 0.00 C ATOM 806 C GLY A 60 2.425 -12.750 8.023 1.00 0.00 C ATOM 807 O GLY A 60 3.591 -12.921 8.379 1.00 0.00 O ATOM 0 H GLY A 60 3.801 -10.656 8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.146 -11.189 8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.243 -11.296 6.989 1.00 0.00 H new ATOM 811 N PRO A 61 1.612 -13.773 7.723 1.00 0.00 N ATOM 812 CA PRO A 61 2.042 -15.173 7.791 1.00 0.00 C ATOM 813 C PRO A 61 3.048 -15.524 6.701 1.00 0.00 C ATOM 814 O PRO A 61 3.760 -16.523 6.799 1.00 0.00 O ATOM 815 CB PRO A 61 0.741 -15.954 7.590 1.00 0.00 C ATOM 816 CG PRO A 61 -0.143 -15.028 6.827 1.00 0.00 C ATOM 817 CD PRO A 61 0.210 -13.642 7.292 1.00 0.00 C ATOM 0 HA PRO A 61 2.550 -15.398 8.729 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.915 -16.878 7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.294 -16.231 8.545 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.016 -15.132 5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.194 -15.247 7.016 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.103 -12.910 6.491 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.433 -13.317 8.110 1.00 0.00 H new ATOM 825 N SER A 62 3.101 -14.697 5.662 1.00 0.00 N ATOM 826 CA SER A 62 4.018 -14.923 4.551 1.00 0.00 C ATOM 827 C SER A 62 4.505 -13.598 3.971 1.00 0.00 C ATOM 828 O SER A 62 3.716 -12.687 3.723 1.00 0.00 O ATOM 829 CB SER A 62 3.337 -15.750 3.460 1.00 0.00 C ATOM 830 OG SER A 62 4.292 -16.419 2.655 1.00 0.00 O ATOM 0 H SER A 62 2.520 -13.864 5.566 1.00 0.00 H new ATOM 0 HA SER A 62 4.879 -15.473 4.929 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.667 -16.479 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.723 -15.100 2.837 1.00 0.00 H new ATOM 0 HG SER A 62 3.862 -17.168 2.192 1.00 0.00 H new ATOM 836 N LYS A 63 5.813 -13.499 3.758 1.00 0.00 N ATOM 837 CA LYS A 63 6.409 -12.287 3.206 1.00 0.00 C ATOM 838 C LYS A 63 5.897 -12.024 1.794 1.00 0.00 C ATOM 839 O LYS A 63 6.237 -12.745 0.856 1.00 0.00 O ATOM 840 CB LYS A 63 7.935 -12.405 3.194 1.00 0.00 C ATOM 841 CG LYS A 63 8.590 -11.954 4.488 1.00 0.00 C ATOM 842 CD LYS A 63 10.074 -12.279 4.504 1.00 0.00 C ATOM 843 CE LYS A 63 10.894 -11.168 3.867 1.00 0.00 C ATOM 844 NZ LYS A 63 10.922 -9.943 4.712 1.00 0.00 N ATOM 0 H LYS A 63 6.481 -14.243 3.959 1.00 0.00 H new ATOM 0 HA LYS A 63 6.121 -11.448 3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.209 -13.442 3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.331 -11.811 2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.450 -10.880 4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.101 -12.439 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.403 -12.432 5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.249 -13.213 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.913 -11.518 3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.478 -10.925 2.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.732 -9.351 4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.040 -9.408 4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.014 -10.213 5.712 1.00 0.00 H new ATOM 858 N ALA A 64 5.080 -10.986 1.649 1.00 0.00 N ATOM 859 CA ALA A 64 4.526 -10.626 0.350 1.00 0.00 C ATOM 860 C ALA A 64 5.290 -9.461 -0.269 1.00 0.00 C ATOM 861 O ALA A 64 5.944 -8.692 0.434 1.00 0.00 O ATOM 862 CB ALA A 64 3.050 -10.280 0.484 1.00 0.00 C ATOM 0 H ALA A 64 4.787 -10.380 2.415 1.00 0.00 H new ATOM 0 HA ALA A 64 4.628 -11.486 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.649 -10.013 -0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.509 -11.141 0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.934 -9.438 1.166 1.00 0.00 H new ATOM 868 N GLU A 65 5.202 -9.337 -1.590 1.00 0.00 N ATOM 869 CA GLU A 65 5.888 -8.266 -2.304 1.00 0.00 C ATOM 870 C GLU A 65 5.027 -7.007 -2.352 1.00 0.00 C ATOM 871 O GLU A 65 3.818 -7.060 -2.121 1.00 0.00 O ATOM 872 CB GLU A 65 6.239 -8.712 -3.724 1.00 0.00 C ATOM 873 CG GLU A 65 7.284 -9.813 -3.775 1.00 0.00 C ATOM 874 CD GLU A 65 7.387 -10.458 -5.144 1.00 0.00 C ATOM 875 OE1 GLU A 65 6.374 -10.459 -5.876 1.00 0.00 O ATOM 876 OE2 GLU A 65 8.478 -10.961 -5.484 1.00 0.00 O ATOM 0 H GLU A 65 4.663 -9.964 -2.187 1.00 0.00 H new ATOM 0 HA GLU A 65 6.808 -8.036 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.333 -9.059 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.602 -7.852 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.254 -9.401 -3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.039 -10.576 -3.036 1.00 0.00 H new ATOM 883 N ILE A 66 5.658 -5.877 -2.654 1.00 0.00 N ATOM 884 CA ILE A 66 4.950 -4.605 -2.733 1.00 0.00 C ATOM 885 C ILE A 66 5.466 -3.761 -3.894 1.00 0.00 C ATOM 886 O ILE A 66 6.664 -3.504 -4.003 1.00 0.00 O ATOM 887 CB ILE A 66 5.088 -3.801 -1.427 1.00 0.00 C ATOM 888 CG1 ILE A 66 4.569 -4.618 -0.242 1.00 0.00 C ATOM 889 CG2 ILE A 66 4.340 -2.481 -1.536 1.00 0.00 C ATOM 890 CD1 ILE A 66 5.176 -4.215 1.083 1.00 0.00 C ATOM 0 H ILE A 66 6.658 -5.816 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 66 3.898 -4.839 -2.896 1.00 0.00 H new ATOM 0 HB ILE A 66 6.143 -3.585 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.486 -4.510 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.775 -5.673 -0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.447 -1.924 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.752 -1.896 -2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.284 -2.676 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.762 -4.836 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.257 -4.349 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.948 -3.168 1.285 1.00 0.00 H new ATOM 902 N SER A 67 4.552 -3.331 -4.757 1.00 0.00 N ATOM 903 CA SER A 67 4.914 -2.516 -5.912 1.00 0.00 C ATOM 904 C SER A 67 4.150 -1.196 -5.906 1.00 0.00 C ATOM 905 O SER A 67 2.967 -1.149 -6.247 1.00 0.00 O ATOM 906 CB SER A 67 4.630 -3.277 -7.208 1.00 0.00 C ATOM 907 OG SER A 67 4.754 -2.427 -8.336 1.00 0.00 O ATOM 0 H SER A 67 3.555 -3.533 -4.679 1.00 0.00 H new ATOM 0 HA SER A 67 5.980 -2.299 -5.853 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.322 -4.114 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.625 -3.697 -7.174 1.00 0.00 H new ATOM 0 HG SER A 67 4.569 -2.937 -9.152 1.00 0.00 H new ATOM 913 N CYS A 68 4.834 -0.126 -5.517 1.00 0.00 N ATOM 914 CA CYS A 68 4.220 1.197 -5.465 1.00 0.00 C ATOM 915 C CYS A 68 4.573 2.008 -6.708 1.00 0.00 C ATOM 916 O CYS A 68 5.702 1.955 -7.196 1.00 0.00 O ATOM 917 CB CYS A 68 4.672 1.943 -4.209 1.00 0.00 C ATOM 918 SG CYS A 68 3.779 3.485 -3.905 1.00 0.00 S ATOM 0 H CYS A 68 5.813 -0.148 -5.233 1.00 0.00 H new ATOM 0 HA CYS A 68 3.138 1.068 -5.432 1.00 0.00 H new ATOM 0 HB2 CYS A 68 4.549 1.288 -3.346 1.00 0.00 H new ATOM 0 HB3 CYS A 68 5.736 2.163 -4.293 1.00 0.00 H new ATOM 0 HG CYS A 68 4.231 4.041 -2.820 1.00 0.00 H new ATOM 924 N ILE A 69 3.599 2.757 -7.215 1.00 0.00 N ATOM 925 CA ILE A 69 3.807 3.578 -8.401 1.00 0.00 C ATOM 926 C ILE A 69 3.019 4.881 -8.312 1.00 0.00 C ATOM 927 O ILE A 69 1.896 4.905 -7.809 1.00 0.00 O ATOM 928 CB ILE A 69 3.398 2.830 -9.683 1.00 0.00 C ATOM 929 CG1 ILE A 69 4.271 1.588 -9.876 1.00 0.00 C ATOM 930 CG2 ILE A 69 3.503 3.750 -10.890 1.00 0.00 C ATOM 931 CD1 ILE A 69 3.784 0.672 -10.977 1.00 0.00 C ATOM 0 H ILE A 69 2.659 2.812 -6.823 1.00 0.00 H new ATOM 0 HA ILE A 69 4.873 3.803 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 69 2.361 2.510 -9.583 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.291 1.902 -10.100 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.307 1.030 -8.940 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.211 3.206 -11.788 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.843 4.607 -10.753 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.531 4.097 -10.995 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.450 -0.187 -11.057 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.776 0.329 -10.745 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.774 1.213 -11.923 1.00 0.00 H new ATOM 943 N ASP A 70 3.614 5.961 -8.806 1.00 0.00 N ATOM 944 CA ASP A 70 2.967 7.267 -8.786 1.00 0.00 C ATOM 945 C ASP A 70 1.967 7.397 -9.931 1.00 0.00 C ATOM 946 O ASP A 70 2.257 7.020 -11.066 1.00 0.00 O ATOM 947 CB ASP A 70 4.012 8.380 -8.877 1.00 0.00 C ATOM 948 CG ASP A 70 3.387 9.761 -8.910 1.00 0.00 C ATOM 949 OD1 ASP A 70 2.367 9.967 -8.220 1.00 0.00 O ATOM 950 OD2 ASP A 70 3.919 10.635 -9.625 1.00 0.00 O ATOM 0 H ASP A 70 4.544 5.958 -9.225 1.00 0.00 H new ATOM 0 HA ASP A 70 2.427 7.362 -7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.687 8.311 -8.024 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.615 8.236 -9.774 1.00 0.00 H new ATOM 955 N ASN A 71 0.789 7.931 -9.624 1.00 0.00 N ATOM 956 CA ASN A 71 -0.254 8.108 -10.628 1.00 0.00 C ATOM 957 C ASN A 71 -0.161 9.488 -11.271 1.00 0.00 C ATOM 958 O ASN A 71 0.746 10.265 -10.972 1.00 0.00 O ATOM 959 CB ASN A 71 -1.635 7.918 -9.997 1.00 0.00 C ATOM 960 CG ASN A 71 -1.813 6.536 -9.400 1.00 0.00 C ATOM 961 OD1 ASN A 71 -2.298 6.390 -8.278 1.00 0.00 O ATOM 962 ND2 ASN A 71 -1.419 5.512 -10.149 1.00 0.00 N ATOM 0 H ASN A 71 0.533 8.248 -8.689 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.110 7.356 -11.403 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.783 8.668 -9.220 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.403 8.086 -10.752 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.513 4.558 -9.799 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.022 5.679 -11.074 1.00 0.00 H new ATOM 969 N LYS A 72 -1.107 9.788 -12.155 1.00 0.00 N ATOM 970 CA LYS A 72 -1.135 11.075 -12.840 1.00 0.00 C ATOM 971 C LYS A 72 -2.073 12.047 -12.132 1.00 0.00 C ATOM 972 O LYS A 72 -1.868 13.261 -12.171 1.00 0.00 O ATOM 973 CB LYS A 72 -1.575 10.892 -14.294 1.00 0.00 C ATOM 974 CG LYS A 72 -1.659 12.194 -15.072 1.00 0.00 C ATOM 975 CD LYS A 72 -0.279 12.726 -15.421 1.00 0.00 C ATOM 976 CE LYS A 72 -0.289 14.237 -15.589 1.00 0.00 C ATOM 977 NZ LYS A 72 0.983 14.739 -16.178 1.00 0.00 N ATOM 0 H LYS A 72 -1.865 9.157 -12.414 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.128 11.491 -12.821 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.875 10.223 -14.795 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.550 10.404 -14.311 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.231 12.036 -15.986 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.198 12.936 -14.483 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.427 12.451 -14.637 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.070 12.259 -16.342 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.124 14.526 -16.228 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.451 14.709 -14.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.936 15.773 -16.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.777 14.486 -15.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.126 14.309 -17.114 1.00 0.00 H new ATOM 991 N ASP A 73 -3.100 11.507 -11.485 1.00 0.00 N ATOM 992 CA ASP A 73 -4.067 12.327 -10.766 1.00 0.00 C ATOM 993 C ASP A 73 -3.484 12.827 -9.449 1.00 0.00 C ATOM 994 O ASP A 73 -3.853 13.894 -8.959 1.00 0.00 O ATOM 995 CB ASP A 73 -5.346 11.531 -10.502 1.00 0.00 C ATOM 996 CG ASP A 73 -5.239 10.655 -9.269 1.00 0.00 C ATOM 997 OD1 ASP A 73 -5.291 11.201 -8.148 1.00 0.00 O ATOM 998 OD2 ASP A 73 -5.101 9.423 -9.426 1.00 0.00 O ATOM 0 H ASP A 73 -3.284 10.505 -11.444 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.307 13.190 -11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.182 12.221 -10.383 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.568 10.908 -11.368 1.00 0.00 H new ATOM 1003 N GLY A 74 -2.569 12.048 -8.879 1.00 0.00 N ATOM 1004 CA GLY A 74 -1.950 12.428 -7.623 1.00 0.00 C ATOM 1005 C GLY A 74 -2.111 11.367 -6.552 1.00 0.00 C ATOM 1006 O GLY A 74 -2.059 11.665 -5.358 1.00 0.00 O ATOM 0 H GLY A 74 -2.246 11.161 -9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.889 12.616 -7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.389 13.362 -7.273 1.00 0.00 H new ATOM 1010 N THR A 75 -2.310 10.124 -6.978 1.00 0.00 N ATOM 1011 CA THR A 75 -2.483 9.015 -6.048 1.00 0.00 C ATOM 1012 C THR A 75 -1.402 7.958 -6.246 1.00 0.00 C ATOM 1013 O THR A 75 -0.533 8.099 -7.107 1.00 0.00 O ATOM 1014 CB THR A 75 -3.865 8.356 -6.210 1.00 0.00 C ATOM 1015 OG1 THR A 75 -4.114 8.073 -7.592 1.00 0.00 O ATOM 1016 CG2 THR A 75 -4.962 9.259 -5.667 1.00 0.00 C ATOM 0 H THR A 75 -2.355 9.860 -7.962 1.00 0.00 H new ATOM 0 HA THR A 75 -2.402 9.430 -5.043 1.00 0.00 H new ATOM 0 HB THR A 75 -3.868 7.425 -5.643 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.643 7.253 -7.848 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.929 8.772 -5.792 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.786 9.449 -4.608 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.958 10.204 -6.211 1.00 0.00 H new ATOM 1024 N CYS A 76 -1.462 6.901 -5.444 1.00 0.00 N ATOM 1025 CA CYS A 76 -0.488 5.819 -5.532 1.00 0.00 C ATOM 1026 C CYS A 76 -1.185 4.467 -5.645 1.00 0.00 C ATOM 1027 O CYS A 76 -2.062 4.139 -4.845 1.00 0.00 O ATOM 1028 CB CYS A 76 0.430 5.832 -4.308 1.00 0.00 C ATOM 1029 SG CYS A 76 1.688 7.130 -4.344 1.00 0.00 S ATOM 0 H CYS A 76 -2.174 6.770 -4.726 1.00 0.00 H new ATOM 0 HA CYS A 76 0.111 5.974 -6.429 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -0.178 5.955 -3.412 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.924 4.864 -4.227 1.00 0.00 H new ATOM 0 HG CYS A 76 2.413 7.062 -3.267 1.00 0.00 H new ATOM 1035 N THR A 77 -0.791 3.685 -6.646 1.00 0.00 N ATOM 1036 CA THR A 77 -1.379 2.370 -6.866 1.00 0.00 C ATOM 1037 C THR A 77 -0.450 1.264 -6.381 1.00 0.00 C ATOM 1038 O THR A 77 0.457 0.841 -7.098 1.00 0.00 O ATOM 1039 CB THR A 77 -1.698 2.141 -8.355 1.00 0.00 C ATOM 1040 OG1 THR A 77 -2.644 3.115 -8.810 1.00 0.00 O ATOM 1041 CG2 THR A 77 -2.256 0.743 -8.580 1.00 0.00 C ATOM 0 H THR A 77 -0.067 3.940 -7.317 1.00 0.00 H new ATOM 0 HA THR A 77 -2.306 2.338 -6.294 1.00 0.00 H new ATOM 0 HB THR A 77 -0.772 2.242 -8.921 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.840 2.963 -9.758 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.474 0.604 -9.639 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.523 0.003 -8.260 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.172 0.619 -8.002 1.00 0.00 H new ATOM 1049 N VAL A 78 -0.681 0.797 -5.158 1.00 0.00 N ATOM 1050 CA VAL A 78 0.135 -0.262 -4.577 1.00 0.00 C ATOM 1051 C VAL A 78 -0.513 -1.628 -4.779 1.00 0.00 C ATOM 1052 O VAL A 78 -1.554 -1.927 -4.194 1.00 0.00 O ATOM 1053 CB VAL A 78 0.363 -0.033 -3.071 1.00 0.00 C ATOM 1054 CG1 VAL A 78 1.230 -1.139 -2.488 1.00 0.00 C ATOM 1055 CG2 VAL A 78 0.992 1.331 -2.830 1.00 0.00 C ATOM 0 H VAL A 78 -1.427 1.136 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 78 1.096 -0.239 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.603 -0.057 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.380 -0.960 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.736 -2.101 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.195 -1.149 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.146 1.477 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.951 1.386 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.330 2.109 -3.210 1.00 0.00 H new ATOM 1065 N THR A 79 0.112 -2.455 -5.612 1.00 0.00 N ATOM 1066 CA THR A 79 -0.403 -3.789 -5.893 1.00 0.00 C ATOM 1067 C THR A 79 0.423 -4.857 -5.186 1.00 0.00 C ATOM 1068 O THR A 79 1.642 -4.735 -5.066 1.00 0.00 O ATOM 1069 CB THR A 79 -0.412 -4.081 -7.405 1.00 0.00 C ATOM 1070 OG1 THR A 79 -1.142 -3.061 -8.096 1.00 0.00 O ATOM 1071 CG2 THR A 79 -1.035 -5.439 -7.690 1.00 0.00 C ATOM 0 H THR A 79 0.975 -2.224 -6.103 1.00 0.00 H new ATOM 0 HA THR A 79 -1.426 -3.818 -5.519 1.00 0.00 H new ATOM 0 HB THR A 79 0.619 -4.091 -7.757 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.142 -3.253 -9.057 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.030 -5.623 -8.764 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.460 -6.216 -7.186 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.062 -5.452 -7.324 1.00 0.00 H new ATOM 1079 N TYR A 80 -0.248 -5.905 -4.719 1.00 0.00 N ATOM 1080 CA TYR A 80 0.425 -6.995 -4.022 1.00 0.00 C ATOM 1081 C TYR A 80 -0.335 -8.306 -4.200 1.00 0.00 C ATOM 1082 O TYR A 80 -1.506 -8.312 -4.581 1.00 0.00 O ATOM 1083 CB TYR A 80 0.561 -6.669 -2.534 1.00 0.00 C ATOM 1084 CG TYR A 80 -0.681 -6.979 -1.730 1.00 0.00 C ATOM 1085 CD1 TYR A 80 -1.692 -6.037 -1.586 1.00 0.00 C ATOM 1086 CD2 TYR A 80 -0.843 -8.213 -1.113 1.00 0.00 C ATOM 1087 CE1 TYR A 80 -2.828 -6.315 -0.851 1.00 0.00 C ATOM 1088 CE2 TYR A 80 -1.977 -8.501 -0.378 1.00 0.00 C ATOM 1089 CZ TYR A 80 -2.966 -7.549 -0.250 1.00 0.00 C ATOM 1090 OH TYR A 80 -4.097 -7.831 0.482 1.00 0.00 O ATOM 0 H TYR A 80 -1.257 -6.022 -4.811 1.00 0.00 H new ATOM 0 HA TYR A 80 1.419 -7.111 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.399 -7.231 -2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 80 0.801 -5.612 -2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -1.588 -5.071 -2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.069 -8.960 -1.209 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.604 -5.571 -0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.088 -9.466 0.094 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.533 -6.994 0.746 1.00 0.00 H new ATOM 1100 N LEU A 81 0.340 -9.415 -3.919 1.00 0.00 N ATOM 1101 CA LEU A 81 -0.269 -10.734 -4.046 1.00 0.00 C ATOM 1102 C LEU A 81 0.085 -11.615 -2.853 1.00 0.00 C ATOM 1103 O LEU A 81 1.242 -11.979 -2.640 1.00 0.00 O ATOM 1104 CB LEU A 81 0.186 -11.406 -5.343 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.527 -12.707 -5.712 1.00 0.00 C ATOM 1106 CD1 LEU A 81 -1.906 -12.416 -6.285 1.00 0.00 C ATOM 1107 CD2 LEU A 81 0.305 -13.509 -6.701 1.00 0.00 C ATOM 0 H LEU A 81 1.309 -9.427 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.351 -10.605 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.053 -10.698 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.254 -11.610 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.650 -13.301 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.399 -13.354 -6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.503 -11.884 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.806 -11.802 -7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.218 -14.432 -6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.460 -12.922 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.270 -13.749 -6.254 1.00 0.00 H new ATOM 1119 N PRO A 82 -0.933 -11.969 -2.054 1.00 0.00 N ATOM 1120 CA PRO A 82 -0.754 -12.814 -0.870 1.00 0.00 C ATOM 1121 C PRO A 82 -0.409 -14.254 -1.233 1.00 0.00 C ATOM 1122 O PRO A 82 -0.845 -14.768 -2.264 1.00 0.00 O ATOM 1123 CB PRO A 82 -2.118 -12.748 -0.178 1.00 0.00 C ATOM 1124 CG PRO A 82 -3.082 -12.439 -1.271 1.00 0.00 C ATOM 1125 CD PRO A 82 -2.338 -11.571 -2.247 1.00 0.00 C ATOM 0 HA PRO A 82 0.072 -12.473 -0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.361 -13.692 0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.134 -11.978 0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.434 -13.352 -1.751 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.961 -11.924 -0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.668 -11.744 -3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.488 -10.512 -2.038 1.00 0.00 H new ATOM 1133 N THR A 83 0.375 -14.903 -0.378 1.00 0.00 N ATOM 1134 CA THR A 83 0.779 -16.285 -0.609 1.00 0.00 C ATOM 1135 C THR A 83 -0.037 -17.246 0.248 1.00 0.00 C ATOM 1136 O THR A 83 -0.244 -18.402 -0.124 1.00 0.00 O ATOM 1137 CB THR A 83 2.276 -16.490 -0.307 1.00 0.00 C ATOM 1138 OG1 THR A 83 3.061 -15.570 -1.074 1.00 0.00 O ATOM 1139 CG2 THR A 83 2.701 -17.916 -0.626 1.00 0.00 C ATOM 0 H THR A 83 0.743 -14.494 0.481 1.00 0.00 H new ATOM 0 HA THR A 83 0.596 -16.497 -1.662 1.00 0.00 H new ATOM 0 HB THR A 83 2.439 -16.308 0.755 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.011 -15.706 -0.875 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.761 -18.038 -0.405 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.122 -18.613 -0.020 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.525 -18.121 -1.682 1.00 0.00 H new ATOM 1147 N LEU A 84 -0.498 -16.763 1.396 1.00 0.00 N ATOM 1148 CA LEU A 84 -1.294 -17.580 2.306 1.00 0.00 C ATOM 1149 C LEU A 84 -2.370 -16.743 2.990 1.00 0.00 C ATOM 1150 O LEU A 84 -2.165 -15.576 3.324 1.00 0.00 O ATOM 1151 CB LEU A 84 -0.393 -18.231 3.357 1.00 0.00 C ATOM 1152 CG LEU A 84 0.683 -19.179 2.825 1.00 0.00 C ATOM 1153 CD1 LEU A 84 1.751 -19.419 3.880 1.00 0.00 C ATOM 1154 CD2 LEU A 84 0.062 -20.495 2.382 1.00 0.00 C ATOM 0 H LEU A 84 -0.334 -15.810 1.719 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.783 -18.359 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.097 -17.441 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.023 -18.783 4.055 1.00 0.00 H new ATOM 0 HG LEU A 84 1.155 -18.714 1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.508 -20.096 3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.217 -18.471 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.295 -19.863 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.842 -21.157 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.436 -20.966 3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.665 -20.307 1.592 1.00 0.00 H new ATOM 1166 N PRO A 85 -3.545 -17.352 3.206 1.00 0.00 N ATOM 1167 CA PRO A 85 -4.676 -16.683 3.855 1.00 0.00 C ATOM 1168 C PRO A 85 -4.425 -16.426 5.337 1.00 0.00 C ATOM 1169 O PRO A 85 -4.150 -17.351 6.100 1.00 0.00 O ATOM 1170 CB PRO A 85 -5.828 -17.674 3.672 1.00 0.00 C ATOM 1171 CG PRO A 85 -5.166 -19.002 3.533 1.00 0.00 C ATOM 1172 CD PRO A 85 -3.860 -18.742 2.835 1.00 0.00 C ATOM 0 HA PRO A 85 -4.869 -15.700 3.425 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.505 -17.656 4.526 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.421 -17.433 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -5.003 -19.461 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.786 -19.689 2.957 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.084 -19.432 3.166 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.951 -18.859 1.755 1.00 0.00 H new ATOM 1180 N GLY A 86 -4.522 -15.162 5.739 1.00 0.00 N ATOM 1181 CA GLY A 86 -4.303 -14.806 7.129 1.00 0.00 C ATOM 1182 C GLY A 86 -4.397 -13.312 7.367 1.00 0.00 C ATOM 1183 O GLY A 86 -4.458 -12.528 6.419 1.00 0.00 O ATOM 0 H GLY A 86 -4.748 -14.378 5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.038 -15.317 7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.320 -15.159 7.441 1.00 0.00 H new ATOM 1187 N ASP A 87 -4.410 -12.916 8.635 1.00 0.00 N ATOM 1188 CA ASP A 87 -4.498 -11.506 8.995 1.00 0.00 C ATOM 1189 C ASP A 87 -3.161 -10.805 8.775 1.00 0.00 C ATOM 1190 O ASP A 87 -2.213 -11.001 9.536 1.00 0.00 O ATOM 1191 CB ASP A 87 -4.933 -11.356 10.453 1.00 0.00 C ATOM 1192 CG ASP A 87 -3.875 -11.838 11.426 1.00 0.00 C ATOM 1193 OD1 ASP A 87 -3.884 -13.040 11.766 1.00 0.00 O ATOM 1194 OD2 ASP A 87 -3.036 -11.014 11.846 1.00 0.00 O ATOM 0 H ASP A 87 -4.361 -13.552 9.431 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.243 -11.038 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.159 -10.309 10.656 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.853 -11.918 10.614 1.00 0.00 H new ATOM 1199 N TYR A 88 -3.092 -9.988 7.730 1.00 0.00 N ATOM 1200 CA TYR A 88 -1.870 -9.260 7.408 1.00 0.00 C ATOM 1201 C TYR A 88 -1.843 -7.905 8.107 1.00 0.00 C ATOM 1202 O TYR A 88 -2.770 -7.106 7.974 1.00 0.00 O ATOM 1203 CB TYR A 88 -1.749 -9.069 5.895 1.00 0.00 C ATOM 1204 CG TYR A 88 -1.241 -10.293 5.169 1.00 0.00 C ATOM 1205 CD1 TYR A 88 0.121 -10.512 5.004 1.00 0.00 C ATOM 1206 CD2 TYR A 88 -2.123 -11.232 4.647 1.00 0.00 C ATOM 1207 CE1 TYR A 88 0.590 -11.630 4.341 1.00 0.00 C ATOM 1208 CE2 TYR A 88 -1.663 -12.352 3.983 1.00 0.00 C ATOM 1209 CZ TYR A 88 -0.306 -12.547 3.832 1.00 0.00 C ATOM 1210 OH TYR A 88 0.157 -13.661 3.171 1.00 0.00 O ATOM 0 H TYR A 88 -3.868 -9.813 7.091 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.023 -9.848 7.762 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.725 -8.797 5.492 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.078 -8.234 5.695 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.825 -9.796 5.401 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.186 -11.083 4.763 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.652 -11.785 4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.362 -13.072 3.584 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.532 -14.358 3.182 1.00 0.00 H new ATOM 1220 N SER A 89 -0.773 -7.652 8.854 1.00 0.00 N ATOM 1221 CA SER A 89 -0.625 -6.395 9.577 1.00 0.00 C ATOM 1222 C SER A 89 0.121 -5.366 8.733 1.00 0.00 C ATOM 1223 O SER A 89 1.348 -5.402 8.633 1.00 0.00 O ATOM 1224 CB SER A 89 0.118 -6.625 10.895 1.00 0.00 C ATOM 1225 OG SER A 89 -0.473 -7.678 11.637 1.00 0.00 O ATOM 0 H SER A 89 0.004 -8.301 8.974 1.00 0.00 H new ATOM 0 HA SER A 89 -1.621 -6.009 9.792 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.162 -6.861 10.691 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.108 -5.709 11.486 1.00 0.00 H new ATOM 0 HG SER A 89 0.021 -7.806 12.474 1.00 0.00 H new ATOM 1231 N ILE A 90 -0.629 -4.452 8.127 1.00 0.00 N ATOM 1232 CA ILE A 90 -0.040 -3.413 7.292 1.00 0.00 C ATOM 1233 C ILE A 90 0.539 -2.286 8.142 1.00 0.00 C ATOM 1234 O ILE A 90 -0.132 -1.754 9.027 1.00 0.00 O ATOM 1235 CB ILE A 90 -1.073 -2.824 6.313 1.00 0.00 C ATOM 1236 CG1 ILE A 90 -1.613 -3.916 5.389 1.00 0.00 C ATOM 1237 CG2 ILE A 90 -0.452 -1.696 5.503 1.00 0.00 C ATOM 1238 CD1 ILE A 90 -3.023 -3.658 4.907 1.00 0.00 C ATOM 0 H ILE A 90 -1.646 -4.410 8.199 1.00 0.00 H new ATOM 0 HA ILE A 90 0.761 -3.883 6.722 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.905 -2.417 6.888 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.954 -4.009 4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.586 -4.871 5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.194 -1.290 4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.112 -0.909 6.176 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.396 -2.080 4.936 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.340 -4.473 4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.694 -3.595 5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.052 -2.720 4.353 1.00 0.00 H new ATOM 1250 N LEU A 91 1.787 -1.926 7.866 1.00 0.00 N ATOM 1251 CA LEU A 91 2.457 -0.861 8.604 1.00 0.00 C ATOM 1252 C LEU A 91 2.935 0.238 7.660 1.00 0.00 C ATOM 1253 O LEU A 91 3.930 0.075 6.954 1.00 0.00 O ATOM 1254 CB LEU A 91 3.642 -1.425 9.390 1.00 0.00 C ATOM 1255 CG LEU A 91 3.308 -2.491 10.434 1.00 0.00 C ATOM 1256 CD1 LEU A 91 4.471 -3.457 10.600 1.00 0.00 C ATOM 1257 CD2 LEU A 91 2.956 -1.843 11.765 1.00 0.00 C ATOM 0 H LEU A 91 2.356 -2.356 7.137 1.00 0.00 H new ATOM 0 HA LEU A 91 1.739 -0.429 9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.353 -1.849 8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.146 -0.599 9.892 1.00 0.00 H new ATOM 0 HG LEU A 91 2.441 -3.054 10.087 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.216 -4.209 11.347 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.676 -3.946 9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.356 -2.909 10.924 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.721 -2.617 12.496 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.803 -1.255 12.119 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.091 -1.192 11.635 1.00 0.00 H new ATOM 1269 N VAL A 92 2.220 1.359 7.655 1.00 0.00 N ATOM 1270 CA VAL A 92 2.573 2.487 6.801 1.00 0.00 C ATOM 1271 C VAL A 92 2.910 3.720 7.631 1.00 0.00 C ATOM 1272 O VAL A 92 2.118 4.155 8.467 1.00 0.00 O ATOM 1273 CB VAL A 92 1.430 2.833 5.828 1.00 0.00 C ATOM 1274 CG1 VAL A 92 1.811 4.020 4.957 1.00 0.00 C ATOM 1275 CG2 VAL A 92 1.075 1.626 4.972 1.00 0.00 C ATOM 0 H VAL A 92 1.393 1.510 8.233 1.00 0.00 H new ATOM 0 HA VAL A 92 3.450 2.188 6.228 1.00 0.00 H new ATOM 0 HB VAL A 92 0.551 3.108 6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.991 4.250 4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.011 4.885 5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.704 3.777 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.266 1.889 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.948 1.318 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.756 0.805 5.615 1.00 0.00 H new ATOM 1285 N LYS A 93 4.091 4.281 7.394 1.00 0.00 N ATOM 1286 CA LYS A 93 4.534 5.467 8.117 1.00 0.00 C ATOM 1287 C LYS A 93 4.749 6.638 7.163 1.00 0.00 C ATOM 1288 O LYS A 93 5.201 6.455 6.033 1.00 0.00 O ATOM 1289 CB LYS A 93 5.828 5.171 8.878 1.00 0.00 C ATOM 1290 CG LYS A 93 5.600 4.604 10.269 1.00 0.00 C ATOM 1291 CD LYS A 93 6.757 4.928 11.200 1.00 0.00 C ATOM 1292 CE LYS A 93 6.703 6.373 11.673 1.00 0.00 C ATOM 1293 NZ LYS A 93 7.852 6.709 12.558 1.00 0.00 N ATOM 0 H LYS A 93 4.759 3.933 6.706 1.00 0.00 H new ATOM 0 HA LYS A 93 3.755 5.740 8.829 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.426 4.466 8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.410 6.089 8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.676 5.009 10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.474 3.523 10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.730 4.261 12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.701 4.747 10.686 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.703 7.038 10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.769 6.545 12.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.596 7.511 13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.089 5.885 13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.675 6.966 11.976 1.00 0.00 H new ATOM 1307 N TYR A 94 4.424 7.839 7.626 1.00 0.00 N ATOM 1308 CA TYR A 94 4.581 9.040 6.814 1.00 0.00 C ATOM 1309 C TYR A 94 5.124 10.195 7.648 1.00 0.00 C ATOM 1310 O TYR A 94 4.438 10.719 8.525 1.00 0.00 O ATOM 1311 CB TYR A 94 3.243 9.435 6.186 1.00 0.00 C ATOM 1312 CG TYR A 94 3.238 10.828 5.598 1.00 0.00 C ATOM 1313 CD1 TYR A 94 3.791 11.078 4.349 1.00 0.00 C ATOM 1314 CD2 TYR A 94 2.680 11.894 6.293 1.00 0.00 C ATOM 1315 CE1 TYR A 94 3.789 12.349 3.808 1.00 0.00 C ATOM 1316 CE2 TYR A 94 2.672 13.168 5.760 1.00 0.00 C ATOM 1317 CZ TYR A 94 3.228 13.391 4.517 1.00 0.00 C ATOM 1318 OH TYR A 94 3.223 14.659 3.983 1.00 0.00 O ATOM 0 H TYR A 94 4.050 8.007 8.560 1.00 0.00 H new ATOM 0 HA TYR A 94 5.296 8.820 6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.993 8.719 5.404 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.462 9.366 6.943 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.230 10.264 3.791 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.245 11.723 7.267 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.224 12.526 2.836 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.233 13.985 6.313 1.00 0.00 H new ATOM 0 HH TYR A 94 2.326 14.870 3.650 1.00 0.00 H new ATOM 1328 N ASN A 95 6.363 10.588 7.368 1.00 0.00 N ATOM 1329 CA ASN A 95 7.000 11.682 8.091 1.00 0.00 C ATOM 1330 C ASN A 95 7.423 11.237 9.488 1.00 0.00 C ATOM 1331 O ASN A 95 7.373 12.015 10.441 1.00 0.00 O ATOM 1332 CB ASN A 95 6.051 12.878 8.190 1.00 0.00 C ATOM 1333 CG ASN A 95 6.779 14.170 8.505 1.00 0.00 C ATOM 1334 OD1 ASN A 95 7.751 14.180 9.261 1.00 0.00 O ATOM 1335 ND2 ASN A 95 6.312 15.269 7.924 1.00 0.00 N ATOM 0 H ASN A 95 6.945 10.165 6.645 1.00 0.00 H new ATOM 0 HA ASN A 95 7.891 11.979 7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.511 12.989 7.250 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.308 12.685 8.964 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.762 16.168 8.097 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.504 15.214 7.304 1.00 0.00 H new ATOM 1342 N ASP A 96 7.839 9.980 9.602 1.00 0.00 N ATOM 1343 CA ASP A 96 8.272 9.431 10.882 1.00 0.00 C ATOM 1344 C ASP A 96 7.120 9.410 11.882 1.00 0.00 C ATOM 1345 O ASP A 96 7.323 9.589 13.083 1.00 0.00 O ATOM 1346 CB ASP A 96 9.436 10.248 11.444 1.00 0.00 C ATOM 1347 CG ASP A 96 10.665 10.188 10.558 1.00 0.00 C ATOM 1348 OD1 ASP A 96 10.544 10.492 9.352 1.00 0.00 O ATOM 1349 OD2 ASP A 96 11.749 9.839 11.070 1.00 0.00 O ATOM 0 H ASP A 96 7.885 9.322 8.824 1.00 0.00 H new ATOM 0 HA ASP A 96 8.604 8.406 10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.125 11.286 11.560 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.689 9.879 12.438 1.00 0.00 H new ATOM 1354 N LYS A 97 5.910 9.192 11.378 1.00 0.00 N ATOM 1355 CA LYS A 97 4.724 9.147 12.226 1.00 0.00 C ATOM 1356 C LYS A 97 3.656 8.243 11.620 1.00 0.00 C ATOM 1357 O LYS A 97 3.445 8.241 10.407 1.00 0.00 O ATOM 1358 CB LYS A 97 4.161 10.557 12.425 1.00 0.00 C ATOM 1359 CG LYS A 97 3.639 11.189 11.147 1.00 0.00 C ATOM 1360 CD LYS A 97 2.710 12.355 11.441 1.00 0.00 C ATOM 1361 CE LYS A 97 2.770 13.406 10.343 1.00 0.00 C ATOM 1362 NZ LYS A 97 1.822 14.527 10.596 1.00 0.00 N ATOM 0 H LYS A 97 5.725 9.044 10.386 1.00 0.00 H new ATOM 0 HA LYS A 97 5.015 8.738 13.194 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.354 10.517 13.157 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.940 11.194 12.844 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.477 11.534 10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.109 10.439 10.559 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.688 11.991 11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.983 12.807 12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.785 13.798 10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.537 12.943 9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.893 15.222 9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.851 14.157 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.059 14.985 11.499 1.00 0.00 H new ATOM 1376 N HIS A 98 2.983 7.476 12.473 1.00 0.00 N ATOM 1377 CA HIS A 98 1.935 6.568 12.021 1.00 0.00 C ATOM 1378 C HIS A 98 0.651 7.332 11.712 1.00 0.00 C ATOM 1379 O HIS A 98 0.328 8.317 12.378 1.00 0.00 O ATOM 1380 CB HIS A 98 1.664 5.500 13.081 1.00 0.00 C ATOM 1381 CG HIS A 98 2.539 4.292 12.951 1.00 0.00 C ATOM 1382 ND1 HIS A 98 2.127 3.126 12.341 1.00 0.00 N ATOM 1383 CD2 HIS A 98 3.813 4.073 13.354 1.00 0.00 C ATOM 1384 CE1 HIS A 98 3.108 2.242 12.377 1.00 0.00 C ATOM 1385 NE2 HIS A 98 4.142 2.792 12.986 1.00 0.00 N ATOM 0 H HIS A 98 3.145 7.466 13.480 1.00 0.00 H new ATOM 0 HA HIS A 98 2.278 6.083 11.107 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.806 5.937 14.070 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.621 5.191 13.016 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.452 4.775 13.869 1.00 0.00 H new ATOM 0 HE1 HIS A 98 3.070 1.240 11.976 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.040 2.339 13.156 1.00 0.00 H new ATOM 1393 N ILE A 99 -0.076 6.872 10.700 1.00 0.00 N ATOM 1394 CA ILE A 99 -1.325 7.512 10.304 1.00 0.00 C ATOM 1395 C ILE A 99 -2.490 7.017 11.154 1.00 0.00 C ATOM 1396 O ILE A 99 -2.464 5.919 11.708 1.00 0.00 O ATOM 1397 CB ILE A 99 -1.642 7.256 8.819 1.00 0.00 C ATOM 1398 CG1 ILE A 99 -1.301 5.813 8.443 1.00 0.00 C ATOM 1399 CG2 ILE A 99 -0.878 8.233 7.938 1.00 0.00 C ATOM 1400 CD1 ILE A 99 -1.869 5.386 7.108 1.00 0.00 C ATOM 0 H ILE A 99 0.178 6.059 10.139 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.194 8.583 10.460 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.709 7.411 8.659 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.217 5.698 8.421 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.677 5.146 9.219 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.113 8.039 6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.166 9.253 8.192 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.193 8.107 8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.588 4.352 6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.956 5.468 7.132 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.474 6.029 6.322 1.00 0.00 H new ATOM 1412 N PRO A 100 -3.539 7.846 11.259 1.00 0.00 N ATOM 1413 CA PRO A 100 -4.736 7.513 12.038 1.00 0.00 C ATOM 1414 C PRO A 100 -5.555 6.400 11.395 1.00 0.00 C ATOM 1415 O PRO A 100 -6.406 6.654 10.544 1.00 0.00 O ATOM 1416 CB PRO A 100 -5.528 8.823 12.048 1.00 0.00 C ATOM 1417 CG PRO A 100 -5.082 9.545 10.823 1.00 0.00 C ATOM 1418 CD PRO A 100 -3.639 9.171 10.625 1.00 0.00 C ATOM 0 HA PRO A 100 -4.486 7.143 13.032 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.602 8.637 12.029 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.321 9.404 12.947 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -5.682 9.257 9.960 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -5.193 10.623 10.943 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.376 9.131 9.568 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.969 9.892 11.094 1.00 0.00 H new ATOM 1426 N GLY A 101 -5.292 5.163 11.809 1.00 0.00 N ATOM 1427 CA GLY A 101 -6.014 4.029 11.263 1.00 0.00 C ATOM 1428 C GLY A 101 -5.137 2.803 11.109 1.00 0.00 C ATOM 1429 O GLY A 101 -5.637 1.688 10.959 1.00 0.00 O ATOM 0 H GLY A 101 -4.592 4.927 12.512 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.855 3.791 11.914 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.429 4.300 10.292 1.00 0.00 H new ATOM 1433 N SER A 102 -3.824 3.008 11.143 1.00 0.00 N ATOM 1434 CA SER A 102 -2.874 1.911 11.001 1.00 0.00 C ATOM 1435 C SER A 102 -2.353 1.463 12.363 1.00 0.00 C ATOM 1436 O SER A 102 -2.440 2.185 13.357 1.00 0.00 O ATOM 1437 CB SER A 102 -1.706 2.332 10.108 1.00 0.00 C ATOM 1438 OG SER A 102 -1.953 1.998 8.753 1.00 0.00 O ATOM 0 H SER A 102 -3.394 3.924 11.268 1.00 0.00 H new ATOM 0 HA SER A 102 -3.393 1.072 10.537 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.545 3.406 10.197 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.792 1.843 10.445 1.00 0.00 H new ATOM 0 HG SER A 102 -2.905 1.799 8.633 1.00 0.00 H new ATOM 1444 N PRO A 103 -1.797 0.244 12.412 1.00 0.00 N ATOM 1445 CA PRO A 103 -1.689 -0.624 11.235 1.00 0.00 C ATOM 1446 C PRO A 103 -3.044 -1.152 10.777 1.00 0.00 C ATOM 1447 O PRO A 103 -3.962 -1.315 11.582 1.00 0.00 O ATOM 1448 CB PRO A 103 -0.804 -1.774 11.723 1.00 0.00 C ATOM 1449 CG PRO A 103 -1.007 -1.809 13.198 1.00 0.00 C ATOM 1450 CD PRO A 103 -1.233 -0.383 13.619 1.00 0.00 C ATOM 0 HA PRO A 103 -1.285 -0.093 10.373 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -1.092 -2.718 11.261 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.243 -1.602 11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.861 -2.433 13.460 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -0.138 -2.231 13.702 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.919 -0.317 14.464 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.304 0.098 13.925 1.00 0.00 H new ATOM 1458 N PHE A 104 -3.163 -1.418 9.481 1.00 0.00 N ATOM 1459 CA PHE A 104 -4.407 -1.928 8.916 1.00 0.00 C ATOM 1460 C PHE A 104 -4.417 -3.453 8.909 1.00 0.00 C ATOM 1461 O PHE A 104 -3.375 -4.092 8.755 1.00 0.00 O ATOM 1462 CB PHE A 104 -4.601 -1.399 7.493 1.00 0.00 C ATOM 1463 CG PHE A 104 -4.722 0.097 7.421 1.00 0.00 C ATOM 1464 CD1 PHE A 104 -5.824 0.743 7.958 1.00 0.00 C ATOM 1465 CD2 PHE A 104 -3.734 0.856 6.815 1.00 0.00 C ATOM 1466 CE1 PHE A 104 -5.938 2.119 7.894 1.00 0.00 C ATOM 1467 CE2 PHE A 104 -3.842 2.233 6.748 1.00 0.00 C ATOM 1468 CZ PHE A 104 -4.946 2.864 7.287 1.00 0.00 C ATOM 0 H PHE A 104 -2.413 -1.289 8.802 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.229 -1.580 9.541 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.760 -1.718 6.878 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.497 -1.849 7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.603 0.164 8.432 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -2.870 0.367 6.390 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.801 2.611 8.318 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.064 2.814 6.275 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.034 3.939 7.234 1.00 0.00 H new ATOM 1478 N THR A 105 -5.602 -4.033 9.077 1.00 0.00 N ATOM 1479 CA THR A 105 -5.748 -5.483 9.092 1.00 0.00 C ATOM 1480 C THR A 105 -6.600 -5.962 7.922 1.00 0.00 C ATOM 1481 O THR A 105 -7.759 -5.572 7.786 1.00 0.00 O ATOM 1482 CB THR A 105 -6.384 -5.970 10.408 1.00 0.00 C ATOM 1483 OG1 THR A 105 -5.646 -5.462 11.526 1.00 0.00 O ATOM 1484 CG2 THR A 105 -6.416 -7.490 10.464 1.00 0.00 C ATOM 0 H THR A 105 -6.474 -3.520 9.205 1.00 0.00 H new ATOM 0 HA THR A 105 -4.746 -5.902 9.004 1.00 0.00 H new ATOM 0 HB THR A 105 -7.408 -5.599 10.450 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.057 -5.774 12.359 1.00 0.00 H new ATOM 0 HG21 THR A 105 -6.869 -7.810 11.402 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.002 -7.873 9.629 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.399 -7.878 10.401 1.00 0.00 H new ATOM 1492 N ALA A 106 -6.018 -6.809 7.080 1.00 0.00 N ATOM 1493 CA ALA A 106 -6.725 -7.344 5.923 1.00 0.00 C ATOM 1494 C ALA A 106 -7.185 -8.776 6.174 1.00 0.00 C ATOM 1495 O ALA A 106 -6.379 -9.706 6.178 1.00 0.00 O ATOM 1496 CB ALA A 106 -5.839 -7.280 4.688 1.00 0.00 C ATOM 0 H ALA A 106 -5.058 -7.140 7.177 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.610 -6.731 5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.379 -7.683 3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.565 -6.244 4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.937 -7.868 4.857 1.00 0.00 H new ATOM 1502 N LYS A 107 -8.486 -8.946 6.384 1.00 0.00 N ATOM 1503 CA LYS A 107 -9.055 -10.265 6.636 1.00 0.00 C ATOM 1504 C LYS A 107 -9.085 -11.097 5.358 1.00 0.00 C ATOM 1505 O LYS A 107 -10.106 -11.163 4.673 1.00 0.00 O ATOM 1506 CB LYS A 107 -10.470 -10.133 7.204 1.00 0.00 C ATOM 1507 CG LYS A 107 -10.525 -9.398 8.532 1.00 0.00 C ATOM 1508 CD LYS A 107 -9.931 -10.230 9.656 1.00 0.00 C ATOM 1509 CE LYS A 107 -10.428 -9.767 11.016 1.00 0.00 C ATOM 1510 NZ LYS A 107 -11.723 -10.406 11.381 1.00 0.00 N ATOM 0 H LYS A 107 -9.167 -8.186 6.385 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.423 -10.772 7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -11.095 -9.608 6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.896 -11.128 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.983 -8.456 8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.560 -9.151 8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.191 -11.278 9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.844 -10.164 9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.681 -10.001 11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.547 -8.684 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.028 -10.064 12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.443 -10.162 10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.604 -11.439 11.412 1.00 0.00 H new ATOM 1524 N ILE A 108 -7.960 -11.731 5.043 1.00 0.00 N ATOM 1525 CA ILE A 108 -7.860 -12.561 3.849 1.00 0.00 C ATOM 1526 C ILE A 108 -8.447 -13.947 4.092 1.00 0.00 C ATOM 1527 O ILE A 108 -8.306 -14.513 5.177 1.00 0.00 O ATOM 1528 CB ILE A 108 -6.398 -12.709 3.388 1.00 0.00 C ATOM 1529 CG1 ILE A 108 -5.814 -11.342 3.024 1.00 0.00 C ATOM 1530 CG2 ILE A 108 -6.310 -13.661 2.204 1.00 0.00 C ATOM 1531 CD1 ILE A 108 -4.634 -11.421 2.082 1.00 0.00 C ATOM 0 H ILE A 108 -7.105 -11.686 5.598 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.431 -12.060 3.067 1.00 0.00 H new ATOM 0 HB ILE A 108 -5.814 -13.126 4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.594 -10.733 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.506 -10.833 3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.271 -13.755 1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.691 -14.640 2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.905 -13.271 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.272 -10.416 1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.837 -12.003 2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -4.941 -11.902 1.153 1.00 0.00 H new ATOM 1543 N THR A 109 -9.107 -14.491 3.073 1.00 0.00 N ATOM 1544 CA THR A 109 -9.715 -15.811 3.175 1.00 0.00 C ATOM 1545 C THR A 109 -9.202 -16.739 2.080 1.00 0.00 C ATOM 1546 O THR A 109 -8.515 -16.303 1.156 1.00 0.00 O ATOM 1547 CB THR A 109 -11.251 -15.730 3.086 1.00 0.00 C ATOM 1548 OG1 THR A 109 -11.645 -15.347 1.763 1.00 0.00 O ATOM 1549 CG2 THR A 109 -11.800 -14.732 4.093 1.00 0.00 C ATOM 0 H THR A 109 -9.233 -14.037 2.168 1.00 0.00 H new ATOM 0 HA THR A 109 -9.435 -16.213 4.149 1.00 0.00 H new ATOM 0 HB THR A 109 -11.659 -16.714 3.316 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.623 -15.299 1.714 1.00 0.00 H new ATOM 0 HG21 THR A 109 -12.886 -14.692 4.011 1.00 0.00 H new ATOM 0 HG22 THR A 109 -11.523 -15.042 5.101 1.00 0.00 H new ATOM 0 HG23 THR A 109 -11.385 -13.745 3.890 1.00 0.00 H new ATOM 1557 N ASP A 110 -9.540 -18.019 2.189 1.00 0.00 N ATOM 1558 CA ASP A 110 -9.115 -19.009 1.206 1.00 0.00 C ATOM 1559 C ASP A 110 -10.300 -19.497 0.379 1.00 0.00 C ATOM 1560 O ASP A 110 -11.359 -19.813 0.920 1.00 0.00 O ATOM 1561 CB ASP A 110 -8.439 -20.192 1.901 1.00 0.00 C ATOM 1562 CG ASP A 110 -9.437 -21.227 2.383 1.00 0.00 C ATOM 1563 OD1 ASP A 110 -10.063 -21.889 1.529 1.00 0.00 O ATOM 1564 OD2 ASP A 110 -9.594 -21.374 3.613 1.00 0.00 O ATOM 0 H ASP A 110 -10.107 -18.396 2.948 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.398 -18.535 0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -7.737 -20.662 1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.859 -19.828 2.749 1.00 0.00 H new ATOM 1569 N ASP A 111 -10.113 -19.556 -0.935 1.00 0.00 N ATOM 1570 CA ASP A 111 -11.167 -20.006 -1.838 1.00 0.00 C ATOM 1571 C ASP A 111 -10.673 -21.145 -2.724 1.00 0.00 C ATOM 1572 O ASP A 111 -10.931 -21.165 -3.927 1.00 0.00 O ATOM 1573 CB ASP A 111 -11.656 -18.845 -2.704 1.00 0.00 C ATOM 1574 CG ASP A 111 -13.106 -19.002 -3.118 1.00 0.00 C ATOM 1575 OD1 ASP A 111 -13.966 -19.139 -2.224 1.00 0.00 O ATOM 1576 OD2 ASP A 111 -13.380 -18.990 -4.337 1.00 0.00 O ATOM 0 H ASP A 111 -9.242 -19.298 -1.399 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.997 -20.373 -1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -11.537 -17.911 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -11.033 -18.773 -3.595 1.00 0.00 H new ATOM 1581 N SER A 112 -9.960 -22.092 -2.121 1.00 0.00 N ATOM 1582 CA SER A 112 -9.426 -23.232 -2.856 1.00 0.00 C ATOM 1583 C SER A 112 -10.472 -24.335 -2.982 1.00 0.00 C ATOM 1584 O SER A 112 -10.189 -25.506 -2.726 1.00 0.00 O ATOM 1585 CB SER A 112 -8.177 -23.774 -2.159 1.00 0.00 C ATOM 1586 OG SER A 112 -7.396 -24.555 -3.048 1.00 0.00 O ATOM 0 H SER A 112 -9.739 -22.092 -1.125 1.00 0.00 H new ATOM 0 HA SER A 112 -9.157 -22.895 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 112 -7.581 -22.945 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 112 -8.469 -24.378 -1.300 1.00 0.00 H new ATOM 0 HG SER A 112 -7.940 -25.289 -3.402 1.00 0.00 H new ATOM 1592 N ARG A 113 -11.681 -23.953 -3.379 1.00 0.00 N ATOM 1593 CA ARG A 113 -12.771 -24.909 -3.538 1.00 0.00 C ATOM 1594 C ARG A 113 -12.492 -25.862 -4.697 1.00 0.00 C ATOM 1595 O ARG A 113 -12.938 -27.010 -4.690 1.00 0.00 O ATOM 1596 CB ARG A 113 -14.092 -24.174 -3.774 1.00 0.00 C ATOM 1597 CG ARG A 113 -14.164 -23.466 -5.117 1.00 0.00 C ATOM 1598 CD ARG A 113 -14.688 -24.389 -6.206 1.00 0.00 C ATOM 1599 NE ARG A 113 -15.256 -23.646 -7.327 1.00 0.00 N ATOM 1600 CZ ARG A 113 -15.873 -24.222 -8.353 1.00 0.00 C ATOM 1601 NH1 ARG A 113 -16.000 -25.541 -8.399 1.00 0.00 N ATOM 1602 NH2 ARG A 113 -16.364 -23.477 -9.335 1.00 0.00 N ATOM 0 H ARG A 113 -11.931 -22.988 -3.597 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.847 -25.492 -2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.913 -24.888 -3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -14.238 -23.443 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.812 -22.593 -5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.174 -23.103 -5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.877 -25.023 -6.565 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -15.447 -25.049 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 113 -15.175 -22.629 -7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.624 -26.116 -7.645 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -16.474 -25.980 -9.188 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -16.268 -22.462 -9.302 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -16.838 -23.919 -10.123 1.00 0.00 H new ATOM 1616 N ARG A 114 -11.754 -25.378 -5.690 1.00 0.00 N ATOM 1617 CA ARG A 114 -11.418 -26.186 -6.857 1.00 0.00 C ATOM 1618 C ARG A 114 -10.607 -27.413 -6.453 1.00 0.00 C ATOM 1619 O ARG A 114 -9.637 -27.308 -5.702 1.00 0.00 O ATOM 1620 CB ARG A 114 -10.632 -25.353 -7.871 1.00 0.00 C ATOM 1621 CG ARG A 114 -10.186 -26.142 -9.091 1.00 0.00 C ATOM 1622 CD ARG A 114 -9.417 -25.267 -10.069 1.00 0.00 C ATOM 1623 NE ARG A 114 -9.528 -25.754 -11.442 1.00 0.00 N ATOM 1624 CZ ARG A 114 -10.676 -25.826 -12.106 1.00 0.00 C ATOM 1625 NH1 ARG A 114 -11.806 -25.446 -11.526 1.00 0.00 N ATOM 1626 NH2 ARG A 114 -10.696 -26.280 -13.353 1.00 0.00 N ATOM 0 H ARG A 114 -11.377 -24.430 -5.710 1.00 0.00 H new ATOM 0 HA ARG A 114 -12.348 -26.522 -7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.249 -24.515 -8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.755 -24.932 -7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.559 -26.976 -8.777 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.057 -26.568 -9.589 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -9.793 -24.245 -10.015 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -8.367 -25.236 -9.779 1.00 0.00 H new ATOM 0 HE ARG A 114 -8.677 -26.055 -11.917 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -11.795 -25.097 -10.568 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -12.686 -25.502 -12.038 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -9.829 -26.574 -13.803 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -11.578 -26.335 -13.862 1.00 0.00 H new ATOM 1640 N CYS A 115 -11.012 -28.575 -6.954 1.00 0.00 N ATOM 1641 CA CYS A 115 -10.324 -29.823 -6.645 1.00 0.00 C ATOM 1642 C CYS A 115 -10.642 -30.892 -7.685 1.00 0.00 C ATOM 1643 O CYS A 115 -11.559 -30.735 -8.490 1.00 0.00 O ATOM 1644 CB CYS A 115 -10.720 -30.316 -5.252 1.00 0.00 C ATOM 1645 SG CYS A 115 -9.653 -31.622 -4.600 1.00 0.00 S ATOM 0 H CYS A 115 -11.814 -28.679 -7.576 1.00 0.00 H new ATOM 0 HA CYS A 115 -9.251 -29.632 -6.664 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -10.706 -29.472 -4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -11.746 -30.683 -5.286 1.00 0.00 H new ATOM 0 HG CYS A 115 -10.067 -31.970 -3.418 1.00 0.00 H new TER 1651 CYS A 115