USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 924 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 80 CYS SG : rot 90:sc= -1.11 USER MOD Set 1.2: A 95 CYS SG : rot -54:sc= -5.95! USER MOD Set 2.1: A 86 CYS SG : rot -140:sc= -0.549 USER MOD Set 2.2: A 90 LYS NZ :NH3+ -160:sc= -0.397 (180deg=-0.973) USER MOD Set 3.1: A 54 MET CE :methyl -163:sc= -0.49 (180deg=-1.1) USER MOD Set 3.2: A 58 CYS SG : rot 28:sc= -3.81! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 -142:sc= 1.66 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -0.0314 (180deg=-0.24) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= -0.0234 (180deg=-0.455) USER MOD Single : A 27 ASN : amide:sc= -2.69 K(o=-2.7,f=-5.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.66 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -2.99! C(o=-3!,f=-5.6!) USER MOD Single : A 44 THR OG1 : rot 1:sc= -1.05 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -123:sc= -0.214 (180deg=-1.25) USER MOD Single : A 53 HIS : no HD1:sc= -7.11! C(o=-7.1!,f=-8.7!) USER MOD Single : A 60 ASN : amide:sc= -0.311 K(o=-0.31,f=-2.9!) USER MOD Single : A 63 THR OG1 : rot 150:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot 44:sc= -1.94 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 0.372 (180deg=0.372) USER MOD Single : A 83 GLN :FLIP amide:sc= -9.23! C(o=-11!,f=-9.2!) USER MOD Single : A 91 THR OG1 : rot -22:sc= 0.678 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot 180:sc= -0.0114 USER MOD Single : A 106 LYS NZ :NH3+ -164:sc= -0.0239 (180deg=-0.223) USER MOD Single : A 108 THR OG1 : rot 75:sc= 0.0218 USER MOD Single : A 110 GLN : amide:sc= -0.0399 K(o=-0.04,f=-0.79) USER MOD Single : A 112 SER OG : rot -48:sc= 1.1 USER MOD Single : A 114 THR OG1 : rot -90:sc= 0.717 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.565 -1.347 -7.928 1.00 0.00 N ATOM 2 CA GLY A 1 -22.508 -2.080 -8.600 1.00 0.00 C ATOM 3 C GLY A 1 -21.431 -1.169 -9.154 1.00 0.00 C ATOM 4 O GLY A 1 -21.040 -1.294 -10.314 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.276 -2.015 -7.568 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.163 -0.808 -7.135 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.014 -0.692 -8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.058 -2.785 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.937 -2.666 -9.413 1.00 0.00 H new ATOM 8 N SER A 2 -20.953 -0.248 -8.324 1.00 0.00 N ATOM 9 CA SER A 2 -19.918 0.692 -8.739 1.00 0.00 C ATOM 10 C SER A 2 -18.802 -0.026 -9.492 1.00 0.00 C ATOM 11 O SER A 2 -18.053 -0.812 -8.913 1.00 0.00 O ATOM 12 CB SER A 2 -19.342 1.419 -7.523 1.00 0.00 C ATOM 13 OG SER A 2 -18.470 2.464 -7.919 1.00 0.00 O ATOM 0 H SER A 2 -21.266 -0.132 -7.360 1.00 0.00 H new ATOM 0 HA SER A 2 -20.373 1.422 -9.408 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.154 1.827 -6.921 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.803 0.711 -6.893 1.00 0.00 H new ATOM 0 HG SER A 2 -18.116 2.914 -7.124 1.00 0.00 H new ATOM 19 N SER A 3 -18.699 0.251 -10.788 1.00 0.00 N ATOM 20 CA SER A 3 -17.677 -0.371 -11.623 1.00 0.00 C ATOM 21 C SER A 3 -17.677 -1.886 -11.444 1.00 0.00 C ATOM 22 O SER A 3 -16.622 -2.512 -11.358 1.00 0.00 O ATOM 23 CB SER A 3 -16.297 0.195 -11.283 1.00 0.00 C ATOM 24 OG SER A 3 -16.206 1.564 -11.636 1.00 0.00 O ATOM 0 H SER A 3 -19.310 0.901 -11.282 1.00 0.00 H new ATOM 0 HA SER A 3 -17.907 -0.146 -12.664 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.105 0.078 -10.216 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.529 -0.371 -11.809 1.00 0.00 H new ATOM 0 HG SER A 3 -15.315 1.902 -11.407 1.00 0.00 H new ATOM 30 N GLY A 4 -18.871 -2.469 -11.388 1.00 0.00 N ATOM 31 CA GLY A 4 -18.987 -3.906 -11.219 1.00 0.00 C ATOM 32 C GLY A 4 -19.165 -4.306 -9.768 1.00 0.00 C ATOM 33 O GLY A 4 -19.325 -3.452 -8.896 1.00 0.00 O ATOM 0 H GLY A 4 -19.759 -1.972 -11.457 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.835 -4.270 -11.800 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.096 -4.389 -11.619 1.00 0.00 H new ATOM 37 N SER A 5 -19.138 -5.610 -9.508 1.00 0.00 N ATOM 38 CA SER A 5 -19.303 -6.122 -8.153 1.00 0.00 C ATOM 39 C SER A 5 -18.235 -5.554 -7.223 1.00 0.00 C ATOM 40 O SER A 5 -17.097 -6.024 -7.206 1.00 0.00 O ATOM 41 CB SER A 5 -19.236 -7.651 -8.152 1.00 0.00 C ATOM 42 OG SER A 5 -20.519 -8.218 -8.351 1.00 0.00 O ATOM 0 H SER A 5 -19.003 -6.330 -10.218 1.00 0.00 H new ATOM 0 HA SER A 5 -20.281 -5.807 -7.789 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.560 -7.989 -8.937 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.824 -7.999 -7.205 1.00 0.00 H new ATOM 0 HG SER A 5 -20.449 -9.195 -8.348 1.00 0.00 H new ATOM 48 N SER A 6 -18.610 -4.539 -6.452 1.00 0.00 N ATOM 49 CA SER A 6 -17.684 -3.902 -5.522 1.00 0.00 C ATOM 50 C SER A 6 -16.362 -3.575 -6.210 1.00 0.00 C ATOM 51 O SER A 6 -15.289 -3.777 -5.644 1.00 0.00 O ATOM 52 CB SER A 6 -17.434 -4.811 -4.317 1.00 0.00 C ATOM 53 OG SER A 6 -17.063 -4.055 -3.177 1.00 0.00 O ATOM 0 H SER A 6 -19.549 -4.140 -6.452 1.00 0.00 H new ATOM 0 HA SER A 6 -18.135 -2.971 -5.179 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.334 -5.387 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.647 -5.527 -4.554 1.00 0.00 H new ATOM 0 HG SER A 6 -16.371 -4.536 -2.677 1.00 0.00 H new ATOM 59 N GLY A 7 -16.450 -3.068 -7.436 1.00 0.00 N ATOM 60 CA GLY A 7 -15.254 -2.721 -8.182 1.00 0.00 C ATOM 61 C GLY A 7 -14.221 -2.017 -7.326 1.00 0.00 C ATOM 62 O GLY A 7 -14.566 -1.228 -6.447 1.00 0.00 O ATOM 0 H GLY A 7 -17.327 -2.891 -7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.817 -3.626 -8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.526 -2.079 -9.020 1.00 0.00 H new ATOM 66 N PHE A 8 -12.948 -2.304 -7.582 1.00 0.00 N ATOM 67 CA PHE A 8 -11.861 -1.694 -6.826 1.00 0.00 C ATOM 68 C PHE A 8 -11.395 -0.401 -7.489 1.00 0.00 C ATOM 69 O PHE A 8 -11.137 -0.366 -8.692 1.00 0.00 O ATOM 70 CB PHE A 8 -10.687 -2.669 -6.703 1.00 0.00 C ATOM 71 CG PHE A 8 -11.079 -4.013 -6.159 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.777 -4.115 -4.967 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.749 -5.174 -6.840 1.00 0.00 C ATOM 74 CE1 PHE A 8 -12.138 -5.351 -4.463 1.00 0.00 C ATOM 75 CE2 PHE A 8 -11.108 -6.412 -6.341 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.804 -6.501 -5.152 1.00 0.00 C ATOM 0 H PHE A 8 -12.645 -2.955 -8.307 1.00 0.00 H new ATOM 0 HA PHE A 8 -12.234 -1.457 -5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.231 -2.802 -7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.928 -2.231 -6.055 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.042 -3.219 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.205 -5.111 -7.771 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.681 -5.417 -3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.844 -7.309 -6.881 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.087 -7.467 -4.761 1.00 0.00 H new ATOM 86 N VAL A 9 -11.291 0.660 -6.695 1.00 0.00 N ATOM 87 CA VAL A 9 -10.856 1.955 -7.204 1.00 0.00 C ATOM 88 C VAL A 9 -9.606 1.816 -8.065 1.00 0.00 C ATOM 89 O VAL A 9 -9.611 2.160 -9.247 1.00 0.00 O ATOM 90 CB VAL A 9 -10.569 2.941 -6.056 1.00 0.00 C ATOM 91 CG1 VAL A 9 -10.234 4.319 -6.606 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.754 3.011 -5.105 1.00 0.00 C ATOM 0 H VAL A 9 -11.502 0.648 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.671 2.346 -7.813 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.705 2.580 -5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.034 5.002 -5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.352 4.252 -7.243 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.075 4.692 -7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.534 3.712 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.637 3.348 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.942 2.023 -4.684 1.00 0.00 H new ATOM 102 N LYS A 10 -8.534 1.310 -7.465 1.00 0.00 N ATOM 103 CA LYS A 10 -7.275 1.123 -8.176 1.00 0.00 C ATOM 104 C LYS A 10 -6.602 -0.181 -7.757 1.00 0.00 C ATOM 105 O LYS A 10 -6.712 -0.606 -6.607 1.00 0.00 O ATOM 106 CB LYS A 10 -6.336 2.302 -7.911 1.00 0.00 C ATOM 107 CG LYS A 10 -4.944 2.112 -8.489 1.00 0.00 C ATOM 108 CD LYS A 10 -4.042 3.292 -8.169 1.00 0.00 C ATOM 109 CE LYS A 10 -2.598 3.011 -8.553 1.00 0.00 C ATOM 110 NZ LYS A 10 -2.368 3.187 -10.014 1.00 0.00 N ATOM 0 H LYS A 10 -8.512 1.022 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.493 1.073 -9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.775 3.207 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.256 2.457 -6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.505 1.198 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.012 1.987 -9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.395 4.176 -8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.099 3.516 -7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.938 3.678 -7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.337 1.993 -8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.372 2.986 -10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.979 2.532 -10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.592 4.166 -10.285 1.00 0.00 H new ATOM 124 N SER A 11 -5.905 -0.810 -8.698 1.00 0.00 N ATOM 125 CA SER A 11 -5.217 -2.067 -8.427 1.00 0.00 C ATOM 126 C SER A 11 -3.845 -2.089 -9.095 1.00 0.00 C ATOM 127 O SER A 11 -3.711 -1.766 -10.274 1.00 0.00 O ATOM 128 CB SER A 11 -6.055 -3.248 -8.918 1.00 0.00 C ATOM 129 OG SER A 11 -6.209 -3.215 -10.326 1.00 0.00 O ATOM 0 H SER A 11 -5.802 -0.470 -9.654 1.00 0.00 H new ATOM 0 HA SER A 11 -5.079 -2.153 -7.349 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.579 -4.183 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.035 -3.225 -8.441 1.00 0.00 H new ATOM 0 HG SER A 11 -6.747 -3.982 -10.614 1.00 0.00 H new ATOM 135 N GLY A 12 -2.828 -2.475 -8.331 1.00 0.00 N ATOM 136 CA GLY A 12 -1.479 -2.533 -8.865 1.00 0.00 C ATOM 137 C GLY A 12 -0.548 -3.357 -7.998 1.00 0.00 C ATOM 138 O GLY A 12 -0.910 -3.756 -6.891 1.00 0.00 O ATOM 0 H GLY A 12 -2.914 -2.749 -7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.507 -2.957 -9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.084 -1.521 -8.957 1.00 0.00 H new ATOM 142 N TRP A 13 0.653 -3.614 -8.502 1.00 0.00 N ATOM 143 CA TRP A 13 1.639 -4.398 -7.767 1.00 0.00 C ATOM 144 C TRP A 13 2.467 -3.507 -6.848 1.00 0.00 C ATOM 145 O TRP A 13 3.036 -2.506 -7.285 1.00 0.00 O ATOM 146 CB TRP A 13 2.556 -5.143 -8.738 1.00 0.00 C ATOM 147 CG TRP A 13 1.973 -6.430 -9.238 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.539 -6.695 -10.505 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.758 -7.625 -8.479 1.00 0.00 C ATOM 150 NE1 TRP A 13 1.067 -7.984 -10.581 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.191 -8.576 -9.351 1.00 0.00 C ATOM 152 CE3 TRP A 13 1.991 -7.986 -7.150 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.854 -9.860 -8.934 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.655 -9.261 -6.737 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.093 -10.186 -7.627 1.00 0.00 C ATOM 0 H TRP A 13 0.968 -3.291 -9.417 1.00 0.00 H new ATOM 0 HA TRP A 13 1.105 -5.124 -7.154 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.774 -4.497 -9.588 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.505 -5.350 -8.243 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.563 -5.995 -11.327 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.686 -8.428 -11.417 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.426 -7.281 -6.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.419 -10.574 -9.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.828 -9.550 -5.711 1.00 0.00 H new ATOM 0 HH2 TRP A 13 0.844 -11.176 -7.274 1.00 0.00 H new ATOM 166 N LEU A 14 2.532 -3.877 -5.573 1.00 0.00 N ATOM 167 CA LEU A 14 3.291 -3.110 -4.592 1.00 0.00 C ATOM 168 C LEU A 14 3.953 -4.034 -3.574 1.00 0.00 C ATOM 169 O LEU A 14 3.420 -5.093 -3.242 1.00 0.00 O ATOM 170 CB LEU A 14 2.378 -2.114 -3.876 1.00 0.00 C ATOM 171 CG LEU A 14 1.487 -1.255 -4.774 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.465 -0.496 -3.943 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.330 -0.291 -5.597 1.00 0.00 C ATOM 0 H LEU A 14 2.068 -4.703 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 14 4.071 -2.562 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.740 -2.667 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.999 -1.451 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 14 0.952 -1.913 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.160 0.110 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.160 -1.204 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.981 0.152 -3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.679 0.312 -6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.893 0.361 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.022 -0.855 -6.222 1.00 0.00 H new ATOM 185 N LEU A 15 5.116 -3.624 -3.079 1.00 0.00 N ATOM 186 CA LEU A 15 5.850 -4.413 -2.096 1.00 0.00 C ATOM 187 C LEU A 15 5.457 -4.016 -0.676 1.00 0.00 C ATOM 188 O LEU A 15 5.161 -2.852 -0.406 1.00 0.00 O ATOM 189 CB LEU A 15 7.356 -4.233 -2.290 1.00 0.00 C ATOM 190 CG LEU A 15 7.876 -4.420 -3.716 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.114 -3.567 -3.949 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.178 -5.887 -3.985 1.00 0.00 C ATOM 0 H LEU A 15 5.571 -2.750 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 15 5.594 -5.462 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.628 -3.233 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.873 -4.940 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 15 7.101 -4.096 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.470 -3.713 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.866 -2.516 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.895 -3.860 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.547 -6.002 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.935 -6.237 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.268 -6.475 -3.860 1.00 0.00 H new ATOM 204 N ARG A 16 5.459 -4.990 0.227 1.00 0.00 N ATOM 205 CA ARG A 16 5.105 -4.742 1.620 1.00 0.00 C ATOM 206 C ARG A 16 6.096 -5.419 2.562 1.00 0.00 C ATOM 207 O ARG A 16 6.475 -6.571 2.354 1.00 0.00 O ATOM 208 CB ARG A 16 3.688 -5.244 1.905 1.00 0.00 C ATOM 209 CG ARG A 16 3.092 -4.690 3.188 1.00 0.00 C ATOM 210 CD ARG A 16 1.719 -5.280 3.465 1.00 0.00 C ATOM 211 NE ARG A 16 1.276 -5.019 4.832 1.00 0.00 N ATOM 212 CZ ARG A 16 1.769 -5.643 5.896 1.00 0.00 C ATOM 213 NH1 ARG A 16 2.717 -6.560 5.751 1.00 0.00 N ATOM 214 NH2 ARG A 16 1.315 -5.351 7.108 1.00 0.00 N ATOM 0 H ARG A 16 5.702 -5.959 0.020 1.00 0.00 H new ATOM 0 HA ARG A 16 5.144 -3.666 1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.042 -4.976 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.702 -6.332 1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.758 -4.908 4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.015 -3.605 3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.997 -4.862 2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.745 -6.356 3.292 1.00 0.00 H new ATOM 0 HE ARG A 16 0.548 -4.319 4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.069 -6.787 4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.094 -7.038 6.570 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.586 -4.647 7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.694 -5.831 7.924 1.00 0.00 H new ATOM 228 N GLN A 17 6.510 -4.695 3.597 1.00 0.00 N ATOM 229 CA GLN A 17 7.457 -5.226 4.570 1.00 0.00 C ATOM 230 C GLN A 17 6.732 -5.977 5.681 1.00 0.00 C ATOM 231 O GLN A 17 6.027 -5.377 6.492 1.00 0.00 O ATOM 232 CB GLN A 17 8.297 -4.095 5.166 1.00 0.00 C ATOM 233 CG GLN A 17 9.573 -4.574 5.839 1.00 0.00 C ATOM 234 CD GLN A 17 10.441 -3.430 6.325 1.00 0.00 C ATOM 235 OE1 GLN A 17 10.601 -3.225 7.529 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.007 -2.677 5.389 1.00 0.00 N ATOM 0 H GLN A 17 6.205 -3.740 3.783 1.00 0.00 H new ATOM 0 HA GLN A 17 8.116 -5.925 4.054 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.556 -3.390 4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.695 -3.551 5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.316 -5.214 6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.142 -5.184 5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.847 -2.883 4.403 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.602 -1.893 5.656 1.00 0.00 H new ATOM 245 N SER A 18 6.910 -7.294 5.713 1.00 0.00 N ATOM 246 CA SER A 18 6.270 -8.128 6.723 1.00 0.00 C ATOM 247 C SER A 18 7.113 -8.188 7.993 1.00 0.00 C ATOM 248 O SER A 18 8.332 -8.021 7.952 1.00 0.00 O ATOM 249 CB SER A 18 6.044 -9.541 6.180 1.00 0.00 C ATOM 250 OG SER A 18 5.348 -10.342 7.119 1.00 0.00 O ATOM 0 H SER A 18 7.492 -7.806 5.051 1.00 0.00 H new ATOM 0 HA SER A 18 5.306 -7.682 6.969 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.478 -9.490 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.004 -10.001 5.945 1.00 0.00 H new ATOM 0 HG SER A 18 5.214 -11.239 6.748 1.00 0.00 H new ATOM 256 N THR A 19 6.454 -8.428 9.123 1.00 0.00 N ATOM 257 CA THR A 19 7.141 -8.508 10.406 1.00 0.00 C ATOM 258 C THR A 19 7.862 -9.842 10.560 1.00 0.00 C ATOM 259 O THR A 19 8.917 -9.919 11.191 1.00 0.00 O ATOM 260 CB THR A 19 6.161 -8.329 11.580 1.00 0.00 C ATOM 261 OG1 THR A 19 5.391 -7.135 11.398 1.00 0.00 O ATOM 262 CG2 THR A 19 6.908 -8.261 12.903 1.00 0.00 C ATOM 0 H THR A 19 5.445 -8.570 9.175 1.00 0.00 H new ATOM 0 HA THR A 19 7.871 -7.699 10.425 1.00 0.00 H new ATOM 0 HB THR A 19 5.494 -9.191 11.602 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.769 -7.029 12.148 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.195 -8.134 13.717 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.469 -9.184 13.052 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.597 -7.416 12.889 1.00 0.00 H new ATOM 270 N ILE A 20 7.288 -10.891 9.980 1.00 0.00 N ATOM 271 CA ILE A 20 7.879 -12.222 10.052 1.00 0.00 C ATOM 272 C ILE A 20 9.026 -12.369 9.058 1.00 0.00 C ATOM 273 O ILE A 20 10.162 -12.649 9.441 1.00 0.00 O ATOM 274 CB ILE A 20 6.832 -13.317 9.776 1.00 0.00 C ATOM 275 CG1 ILE A 20 5.699 -13.240 10.802 1.00 0.00 C ATOM 276 CG2 ILE A 20 7.485 -14.691 9.802 1.00 0.00 C ATOM 277 CD1 ILE A 20 6.134 -13.582 12.210 1.00 0.00 C ATOM 0 H ILE A 20 6.415 -10.845 9.455 1.00 0.00 H new ATOM 0 HA ILE A 20 8.262 -12.343 11.065 1.00 0.00 H new ATOM 0 HB ILE A 20 6.410 -13.155 8.784 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.280 -12.234 10.794 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.901 -13.919 10.502 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.733 -15.455 9.605 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.260 -14.740 9.038 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.930 -14.864 10.782 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.280 -13.507 12.883 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.525 -14.599 12.233 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.911 -12.887 12.530 1.00 0.00 H new ATOM 289 N LEU A 21 8.722 -12.176 7.779 1.00 0.00 N ATOM 290 CA LEU A 21 9.728 -12.285 6.728 1.00 0.00 C ATOM 291 C LEU A 21 10.730 -11.138 6.813 1.00 0.00 C ATOM 292 O LEU A 21 11.877 -11.269 6.386 1.00 0.00 O ATOM 293 CB LEU A 21 9.059 -12.291 5.353 1.00 0.00 C ATOM 294 CG LEU A 21 8.299 -13.565 4.982 1.00 0.00 C ATOM 295 CD1 LEU A 21 7.470 -13.346 3.726 1.00 0.00 C ATOM 296 CD2 LEU A 21 9.264 -14.726 4.791 1.00 0.00 C ATOM 0 H LEU A 21 7.787 -11.943 7.445 1.00 0.00 H new ATOM 0 HA LEU A 21 10.264 -13.223 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.366 -11.451 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.825 -12.116 4.598 1.00 0.00 H new ATOM 0 HG LEU A 21 7.623 -13.812 5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.936 -14.263 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.752 -12.544 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.126 -13.073 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.705 -15.624 4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.966 -14.488 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.813 -14.899 5.717 1.00 0.00 H new ATOM 308 N LYS A 22 10.291 -10.015 7.370 1.00 0.00 N ATOM 309 CA LYS A 22 11.149 -8.846 7.516 1.00 0.00 C ATOM 310 C LYS A 22 11.838 -8.508 6.197 1.00 0.00 C ATOM 311 O LYS A 22 13.053 -8.320 6.151 1.00 0.00 O ATOM 312 CB LYS A 22 12.199 -9.090 8.603 1.00 0.00 C ATOM 313 CG LYS A 22 11.604 -9.323 9.981 1.00 0.00 C ATOM 314 CD LYS A 22 12.598 -8.989 11.081 1.00 0.00 C ATOM 315 CE LYS A 22 12.323 -9.791 12.343 1.00 0.00 C ATOM 316 NZ LYS A 22 12.647 -11.234 12.165 1.00 0.00 N ATOM 0 H LYS A 22 9.344 -9.890 7.728 1.00 0.00 H new ATOM 0 HA LYS A 22 10.523 -8.002 7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.803 -9.954 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.871 -8.233 8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.709 -8.712 10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.294 -10.364 10.073 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.610 -9.193 10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.548 -7.924 11.307 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.911 -9.386 13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.274 -9.686 12.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.776 -11.678 13.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.868 -11.705 11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.523 -11.327 11.613 1.00 0.00 H new ATOM 330 N ARG A 23 11.052 -8.432 5.128 1.00 0.00 N ATOM 331 CA ARG A 23 11.586 -8.117 3.808 1.00 0.00 C ATOM 332 C ARG A 23 10.468 -7.716 2.850 1.00 0.00 C ATOM 333 O ARG A 23 9.315 -8.107 3.030 1.00 0.00 O ATOM 334 CB ARG A 23 12.350 -9.317 3.244 1.00 0.00 C ATOM 335 CG ARG A 23 11.463 -10.322 2.529 1.00 0.00 C ATOM 336 CD ARG A 23 12.253 -11.540 2.077 1.00 0.00 C ATOM 337 NE ARG A 23 12.803 -11.368 0.735 1.00 0.00 N ATOM 338 CZ ARG A 23 12.055 -11.251 -0.356 1.00 0.00 C ATOM 339 NH1 ARG A 23 10.732 -11.286 -0.265 1.00 0.00 N ATOM 340 NH2 ARG A 23 12.629 -11.097 -1.543 1.00 0.00 N ATOM 0 H ARG A 23 10.044 -8.584 5.150 1.00 0.00 H new ATOM 0 HA ARG A 23 12.271 -7.275 3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.111 -8.959 2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.872 -9.820 4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.658 -10.635 3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.997 -9.848 1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.065 -11.727 2.780 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.607 -12.418 2.094 1.00 0.00 H new ATOM 0 HE ARG A 23 13.817 -11.336 0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.286 -11.403 0.645 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.160 -11.196 -1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.646 -11.068 -1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.053 -11.007 -2.380 1.00 0.00 H new ATOM 354 N TRP A 24 10.818 -6.935 1.835 1.00 0.00 N ATOM 355 CA TRP A 24 9.844 -6.481 0.849 1.00 0.00 C ATOM 356 C TRP A 24 9.453 -7.615 -0.092 1.00 0.00 C ATOM 357 O TRP A 24 10.286 -8.132 -0.837 1.00 0.00 O ATOM 358 CB TRP A 24 10.408 -5.307 0.047 1.00 0.00 C ATOM 359 CG TRP A 24 10.779 -4.131 0.898 1.00 0.00 C ATOM 360 CD1 TRP A 24 11.989 -3.893 1.485 1.00 0.00 C ATOM 361 CD2 TRP A 24 9.934 -3.033 1.258 1.00 0.00 C ATOM 362 NE1 TRP A 24 11.947 -2.714 2.188 1.00 0.00 N ATOM 363 CE2 TRP A 24 10.697 -2.166 2.065 1.00 0.00 C ATOM 364 CE3 TRP A 24 8.607 -2.697 0.977 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.176 -0.988 2.591 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.091 -1.527 1.501 1.00 0.00 C ATOM 367 CH2 TRP A 24 8.874 -0.683 2.300 1.00 0.00 C ATOM 0 H TRP A 24 11.769 -6.603 1.673 1.00 0.00 H new ATOM 0 HA TRP A 24 8.952 -6.152 1.381 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.288 -5.641 -0.502 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.671 -4.994 -0.692 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.852 -4.537 1.408 1.00 0.00 H new ATOM 0 HE1 TRP A 24 12.721 -2.311 2.716 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.996 -3.340 0.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.778 -0.337 3.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.066 -1.258 1.291 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.442 0.225 2.694 1.00 0.00 H new ATOM 378 N LYS A 25 8.181 -7.998 -0.055 1.00 0.00 N ATOM 379 CA LYS A 25 7.679 -9.070 -0.906 1.00 0.00 C ATOM 380 C LYS A 25 6.517 -8.583 -1.765 1.00 0.00 C ATOM 381 O LYS A 25 5.526 -8.064 -1.252 1.00 0.00 O ATOM 382 CB LYS A 25 7.233 -10.260 -0.053 1.00 0.00 C ATOM 383 CG LYS A 25 5.866 -10.074 0.583 1.00 0.00 C ATOM 384 CD LYS A 25 5.498 -11.252 1.469 1.00 0.00 C ATOM 385 CE LYS A 25 4.775 -12.336 0.684 1.00 0.00 C ATOM 386 NZ LYS A 25 4.860 -13.660 1.360 1.00 0.00 N ATOM 0 H LYS A 25 7.479 -7.581 0.556 1.00 0.00 H new ATOM 0 HA LYS A 25 8.488 -9.386 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.217 -11.156 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.970 -10.430 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.860 -9.158 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.114 -9.955 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.401 -11.667 1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.864 -10.909 2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.728 -12.058 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.206 -12.410 -0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.355 -14.372 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.858 -13.938 1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.426 -13.597 2.303 1.00 0.00 H new ATOM 400 N LYS A 26 6.644 -8.756 -3.077 1.00 0.00 N ATOM 401 CA LYS A 26 5.604 -8.337 -4.008 1.00 0.00 C ATOM 402 C LYS A 26 4.221 -8.708 -3.482 1.00 0.00 C ATOM 403 O LYS A 26 4.003 -9.825 -3.016 1.00 0.00 O ATOM 404 CB LYS A 26 5.829 -8.980 -5.379 1.00 0.00 C ATOM 405 CG LYS A 26 5.409 -8.096 -6.541 1.00 0.00 C ATOM 406 CD LYS A 26 6.286 -8.325 -7.761 1.00 0.00 C ATOM 407 CE LYS A 26 7.486 -7.390 -7.768 1.00 0.00 C ATOM 408 NZ LYS A 26 8.653 -7.981 -7.057 1.00 0.00 N ATOM 0 H LYS A 26 7.458 -9.184 -3.519 1.00 0.00 H new ATOM 0 HA LYS A 26 5.656 -7.253 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.885 -9.229 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.274 -9.917 -5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.369 -8.299 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.466 -7.049 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.629 -9.359 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.699 -8.172 -8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.764 -7.164 -8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.214 -6.446 -7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.517 -7.466 -7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.507 -7.909 -6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.751 -8.982 -7.323 1.00 0.00 H new ATOM 422 N ASN A 27 3.289 -7.763 -3.562 1.00 0.00 N ATOM 423 CA ASN A 27 1.927 -7.992 -3.095 1.00 0.00 C ATOM 424 C ASN A 27 0.917 -7.284 -3.994 1.00 0.00 C ATOM 425 O ASN A 27 1.246 -6.303 -4.661 1.00 0.00 O ATOM 426 CB ASN A 27 1.772 -7.505 -1.653 1.00 0.00 C ATOM 427 CG ASN A 27 2.679 -8.248 -0.691 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.497 -7.642 0.002 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.540 -9.568 -0.646 1.00 0.00 N ATOM 0 H ASN A 27 3.453 -6.832 -3.946 1.00 0.00 H new ATOM 0 HA ASN A 27 1.732 -9.064 -3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.993 -6.439 -1.607 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.735 -7.629 -1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.124 -10.121 -0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.849 -10.029 -1.238 1.00 0.00 H new ATOM 436 N TRP A 28 -0.311 -7.787 -4.005 1.00 0.00 N ATOM 437 CA TRP A 28 -1.369 -7.203 -4.821 1.00 0.00 C ATOM 438 C TRP A 28 -2.346 -6.409 -3.960 1.00 0.00 C ATOM 439 O TRP A 28 -3.083 -6.978 -3.155 1.00 0.00 O ATOM 440 CB TRP A 28 -2.117 -8.297 -5.584 1.00 0.00 C ATOM 441 CG TRP A 28 -3.103 -7.762 -6.577 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.465 -7.849 -6.509 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.804 -7.058 -7.788 1.00 0.00 C ATOM 444 NE1 TRP A 28 -5.030 -7.241 -7.605 1.00 0.00 N ATOM 445 CE2 TRP A 28 -4.033 -6.748 -8.403 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.619 -6.658 -8.410 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -4.107 -6.058 -9.611 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.694 -5.974 -9.608 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.930 -5.679 -10.198 1.00 0.00 C ATOM 0 H TRP A 28 -0.599 -8.598 -3.458 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.907 -6.522 -5.536 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.394 -8.926 -6.104 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.640 -8.934 -4.871 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.016 -8.325 -5.712 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.030 -7.169 -7.793 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.661 -6.879 -7.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.059 -5.830 -10.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.784 -5.661 -10.098 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.955 -5.142 -11.135 1.00 0.00 H new ATOM 460 N PHE A 29 -2.345 -5.091 -4.134 1.00 0.00 N ATOM 461 CA PHE A 29 -3.231 -4.219 -3.371 1.00 0.00 C ATOM 462 C PHE A 29 -4.462 -3.844 -4.191 1.00 0.00 C ATOM 463 O PHE A 29 -4.414 -3.802 -5.420 1.00 0.00 O ATOM 464 CB PHE A 29 -2.487 -2.954 -2.938 1.00 0.00 C ATOM 465 CG PHE A 29 -1.451 -3.201 -1.880 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.187 -3.656 -2.221 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.740 -2.977 -0.543 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.769 -3.883 -1.249 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.787 -3.203 0.433 1.00 0.00 C ATOM 470 CZ PHE A 29 0.468 -3.657 0.079 1.00 0.00 C ATOM 0 H PHE A 29 -1.741 -4.604 -4.796 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.558 -4.761 -2.484 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.006 -2.509 -3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.209 -2.227 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.054 -3.835 -3.258 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.720 -2.622 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.750 -4.237 -1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.024 -3.025 1.471 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.213 -3.835 0.840 1.00 0.00 H new ATOM 480 N ASP A 30 -5.564 -3.573 -3.500 1.00 0.00 N ATOM 481 CA ASP A 30 -6.809 -3.200 -4.163 1.00 0.00 C ATOM 482 C ASP A 30 -7.682 -2.353 -3.243 1.00 0.00 C ATOM 483 O ASP A 30 -8.191 -2.838 -2.231 1.00 0.00 O ATOM 484 CB ASP A 30 -7.572 -4.451 -4.601 1.00 0.00 C ATOM 485 CG ASP A 30 -6.811 -5.263 -5.630 1.00 0.00 C ATOM 486 OD1 ASP A 30 -6.375 -4.677 -6.643 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.652 -6.485 -5.424 1.00 0.00 O ATOM 0 H ASP A 30 -5.621 -3.604 -2.482 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.560 -2.608 -5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.775 -5.073 -3.729 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.537 -4.158 -5.015 1.00 0.00 H new ATOM 492 N LEU A 31 -7.850 -1.084 -3.599 1.00 0.00 N ATOM 493 CA LEU A 31 -8.661 -0.168 -2.804 1.00 0.00 C ATOM 494 C LEU A 31 -10.136 -0.283 -3.176 1.00 0.00 C ATOM 495 O LEU A 31 -10.481 -0.419 -4.350 1.00 0.00 O ATOM 496 CB LEU A 31 -8.184 1.272 -3.005 1.00 0.00 C ATOM 497 CG LEU A 31 -8.739 2.306 -2.026 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.943 2.297 -0.731 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.728 3.693 -2.651 1.00 0.00 C ATOM 0 H LEU A 31 -7.436 -0.666 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.548 -0.439 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.096 1.286 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.445 1.582 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.771 2.041 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.353 3.040 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.004 1.310 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.901 2.535 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.127 4.416 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.706 3.966 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.344 3.692 -3.550 1.00 0.00 H new ATOM 511 N TRP A 32 -11.000 -0.227 -2.170 1.00 0.00 N ATOM 512 CA TRP A 32 -12.438 -0.323 -2.391 1.00 0.00 C ATOM 513 C TRP A 32 -13.064 1.062 -2.513 1.00 0.00 C ATOM 514 O TRP A 32 -12.417 2.072 -2.239 1.00 0.00 O ATOM 515 CB TRP A 32 -13.101 -1.096 -1.250 1.00 0.00 C ATOM 516 CG TRP A 32 -12.730 -2.548 -1.223 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.475 -3.076 -1.333 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.622 -3.658 -1.079 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.533 -4.447 -1.266 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.839 -4.829 -1.109 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.006 -3.778 -0.926 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.396 -6.100 -0.993 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.557 -5.039 -0.811 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.754 -6.187 -0.844 1.00 0.00 C ATOM 0 H TRP A 32 -10.730 -0.116 -1.193 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.601 -0.859 -3.326 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.822 -0.639 -0.301 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.184 -1.006 -1.341 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.570 -2.500 -1.455 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.734 -5.078 -1.324 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.634 -2.900 -0.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.779 -6.986 -1.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.626 -5.142 -0.694 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.215 -7.159 -0.750 1.00 0.00 H new ATOM 535 N SER A 33 -14.327 1.102 -2.926 1.00 0.00 N ATOM 536 CA SER A 33 -15.039 2.365 -3.087 1.00 0.00 C ATOM 537 C SER A 33 -15.366 2.981 -1.731 1.00 0.00 C ATOM 538 O SER A 33 -15.448 4.202 -1.595 1.00 0.00 O ATOM 539 CB SER A 33 -16.326 2.150 -3.886 1.00 0.00 C ATOM 540 OG SER A 33 -17.089 3.343 -3.954 1.00 0.00 O ATOM 0 H SER A 33 -14.878 0.275 -3.155 1.00 0.00 H new ATOM 0 HA SER A 33 -14.392 3.052 -3.632 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.081 1.814 -4.893 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.919 1.361 -3.422 1.00 0.00 H new ATOM 0 HG SER A 33 -17.906 3.180 -4.471 1.00 0.00 H new ATOM 546 N ASP A 34 -15.552 2.128 -0.730 1.00 0.00 N ATOM 547 CA ASP A 34 -15.869 2.587 0.618 1.00 0.00 C ATOM 548 C ASP A 34 -14.608 3.036 1.349 1.00 0.00 C ATOM 549 O ASP A 34 -14.675 3.548 2.466 1.00 0.00 O ATOM 550 CB ASP A 34 -16.564 1.477 1.407 1.00 0.00 C ATOM 551 CG ASP A 34 -16.081 0.096 1.012 1.00 0.00 C ATOM 552 OD1 ASP A 34 -14.868 -0.059 0.759 1.00 0.00 O ATOM 553 OD2 ASP A 34 -16.916 -0.831 0.957 1.00 0.00 O ATOM 0 H ASP A 34 -15.489 1.115 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.543 3.440 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.390 1.629 2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.640 1.541 1.248 1.00 0.00 H new ATOM 558 N GLY A 35 -13.457 2.839 0.712 1.00 0.00 N ATOM 559 CA GLY A 35 -12.197 3.227 1.318 1.00 0.00 C ATOM 560 C GLY A 35 -11.398 2.037 1.808 1.00 0.00 C ATOM 561 O GLY A 35 -10.167 2.070 1.825 1.00 0.00 O ATOM 0 H GLY A 35 -13.375 2.417 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.605 3.784 0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.391 3.899 2.154 1.00 0.00 H new ATOM 565 N HIS A 36 -12.098 0.981 2.211 1.00 0.00 N ATOM 566 CA HIS A 36 -11.445 -0.226 2.705 1.00 0.00 C ATOM 567 C HIS A 36 -10.395 -0.720 1.715 1.00 0.00 C ATOM 568 O HIS A 36 -10.632 -0.750 0.506 1.00 0.00 O ATOM 569 CB HIS A 36 -12.480 -1.323 2.959 1.00 0.00 C ATOM 570 CG HIS A 36 -13.155 -1.213 4.292 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.439 -0.735 4.447 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.717 -1.523 5.535 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.762 -0.755 5.728 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.734 -1.229 6.409 1.00 0.00 N ATOM 0 H HIS A 36 -13.117 0.937 2.205 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.947 0.018 3.643 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.236 -1.287 2.174 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -11.992 -2.295 2.887 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.748 -1.926 5.791 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.706 -0.438 6.147 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.701 -1.356 7.421 1.00 0.00 H new ATOM 583 N LEU A 37 -9.235 -1.107 2.234 1.00 0.00 N ATOM 584 CA LEU A 37 -8.148 -1.599 1.396 1.00 0.00 C ATOM 585 C LEU A 37 -7.808 -3.046 1.739 1.00 0.00 C ATOM 586 O LEU A 37 -7.620 -3.389 2.906 1.00 0.00 O ATOM 587 CB LEU A 37 -6.909 -0.718 1.564 1.00 0.00 C ATOM 588 CG LEU A 37 -5.637 -1.209 0.871 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.771 -1.090 -0.639 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.426 -0.430 1.364 1.00 0.00 C ATOM 0 H LEU A 37 -9.023 -1.089 3.232 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.476 -1.559 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.142 0.278 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.702 -0.616 2.629 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.494 -2.260 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.856 -1.444 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.613 -1.693 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.940 -0.047 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.530 -0.793 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.561 0.629 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.318 -0.568 2.440 1.00 0.00 H new ATOM 602 N ILE A 38 -7.728 -3.889 0.715 1.00 0.00 N ATOM 603 CA ILE A 38 -7.407 -5.297 0.908 1.00 0.00 C ATOM 604 C ILE A 38 -6.382 -5.773 -0.116 1.00 0.00 C ATOM 605 O ILE A 38 -6.544 -5.558 -1.317 1.00 0.00 O ATOM 606 CB ILE A 38 -8.665 -6.180 0.807 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.761 -5.652 1.735 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.327 -7.625 1.146 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.116 -6.276 1.485 1.00 0.00 C ATOM 0 H ILE A 38 -7.881 -3.621 -0.257 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.987 -5.390 1.909 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.034 -6.145 -0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.470 -5.836 2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.839 -4.572 1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.226 -8.236 1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.576 -7.996 0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.937 -7.679 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.844 -5.855 2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.428 -6.070 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.053 -7.354 1.635 1.00 0.00 H new ATOM 621 N TYR A 39 -5.329 -6.422 0.368 1.00 0.00 N ATOM 622 CA TYR A 39 -4.277 -6.929 -0.505 1.00 0.00 C ATOM 623 C TYR A 39 -4.198 -8.451 -0.437 1.00 0.00 C ATOM 624 O TYR A 39 -4.555 -9.058 0.574 1.00 0.00 O ATOM 625 CB TYR A 39 -2.928 -6.319 -0.120 1.00 0.00 C ATOM 626 CG TYR A 39 -2.815 -5.979 1.349 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.415 -4.839 1.867 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.108 -6.800 2.220 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.314 -4.524 3.208 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.002 -6.494 3.563 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.606 -5.355 4.052 1.00 0.00 C ATOM 632 OH TYR A 39 -2.504 -5.045 5.389 1.00 0.00 O ATOM 0 H TYR A 39 -5.181 -6.609 1.360 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.519 -6.642 -1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.134 -7.017 -0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.767 -5.415 -0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.971 -4.187 1.209 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.633 -7.693 1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.786 -3.633 3.594 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.449 -7.143 4.226 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.303 -4.553 5.673 1.00 0.00 H new ATOM 642 N TYR A 40 -3.727 -9.061 -1.518 1.00 0.00 N ATOM 643 CA TYR A 40 -3.602 -10.513 -1.583 1.00 0.00 C ATOM 644 C TYR A 40 -2.140 -10.928 -1.715 1.00 0.00 C ATOM 645 O TYR A 40 -1.251 -10.084 -1.827 1.00 0.00 O ATOM 646 CB TYR A 40 -4.408 -11.063 -2.761 1.00 0.00 C ATOM 647 CG TYR A 40 -5.876 -10.701 -2.712 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.790 -11.515 -2.053 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.348 -9.547 -3.324 1.00 0.00 C ATOM 650 CE1 TYR A 40 -8.131 -11.189 -2.006 1.00 0.00 C ATOM 651 CE2 TYR A 40 -7.688 -9.212 -3.280 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.575 -10.036 -2.621 1.00 0.00 C ATOM 653 OH TYR A 40 -9.911 -9.708 -2.576 1.00 0.00 O ATOM 0 H TYR A 40 -3.425 -8.573 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.997 -10.928 -0.656 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.980 -10.687 -3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.311 -12.148 -2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.446 -12.417 -1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.656 -8.900 -3.843 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.829 -11.833 -1.491 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.038 -8.310 -3.759 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.058 -8.866 -3.056 1.00 0.00 H new ATOM 663 N ASP A 41 -1.900 -12.234 -1.703 1.00 0.00 N ATOM 664 CA ASP A 41 -0.546 -12.764 -1.823 1.00 0.00 C ATOM 665 C ASP A 41 -0.067 -12.709 -3.270 1.00 0.00 C ATOM 666 O ASP A 41 1.086 -12.371 -3.540 1.00 0.00 O ATOM 667 CB ASP A 41 -0.492 -14.204 -1.310 1.00 0.00 C ATOM 668 CG ASP A 41 0.927 -14.676 -1.058 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.805 -14.389 -1.898 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.159 -15.333 -0.021 1.00 0.00 O ATOM 0 H ASP A 41 -2.625 -12.946 -1.611 1.00 0.00 H new ATOM 0 HA ASP A 41 0.115 -12.145 -1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.066 -14.279 -0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.968 -14.863 -2.036 1.00 0.00 H new ATOM 675 N ASP A 42 -0.959 -13.043 -4.196 1.00 0.00 N ATOM 676 CA ASP A 42 -0.628 -13.031 -5.616 1.00 0.00 C ATOM 677 C ASP A 42 -1.828 -12.595 -6.451 1.00 0.00 C ATOM 678 O ASP A 42 -2.882 -12.259 -5.911 1.00 0.00 O ATOM 679 CB ASP A 42 -0.156 -14.415 -6.064 1.00 0.00 C ATOM 680 CG ASP A 42 -0.893 -15.535 -5.355 1.00 0.00 C ATOM 681 OD1 ASP A 42 -1.911 -15.248 -4.691 1.00 0.00 O ATOM 682 OD2 ASP A 42 -0.451 -16.698 -5.463 1.00 0.00 O ATOM 0 H ASP A 42 -1.917 -13.325 -3.989 1.00 0.00 H new ATOM 0 HA ASP A 42 0.178 -12.314 -5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.299 -14.514 -7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.913 -14.510 -5.874 1.00 0.00 H new ATOM 687 N GLN A 43 -1.660 -12.602 -7.769 1.00 0.00 N ATOM 688 CA GLN A 43 -2.729 -12.205 -8.678 1.00 0.00 C ATOM 689 C GLN A 43 -3.893 -13.188 -8.610 1.00 0.00 C ATOM 690 O GLN A 43 -4.993 -12.899 -9.084 1.00 0.00 O ATOM 691 CB GLN A 43 -2.203 -12.117 -10.111 1.00 0.00 C ATOM 692 CG GLN A 43 -1.712 -13.446 -10.662 1.00 0.00 C ATOM 693 CD GLN A 43 -2.841 -14.314 -11.182 1.00 0.00 C ATOM 694 OE1 GLN A 43 -4.001 -13.901 -11.197 1.00 0.00 O ATOM 695 NE2 GLN A 43 -2.507 -15.526 -11.611 1.00 0.00 N ATOM 0 H GLN A 43 -0.794 -12.878 -8.232 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.088 -11.223 -8.370 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.994 -11.736 -10.757 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.387 -11.395 -10.146 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.001 -13.261 -11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.176 -13.984 -9.880 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.533 -15.827 -11.580 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.225 -16.155 -11.971 1.00 0.00 H new ATOM 704 N THR A 44 -3.645 -14.353 -8.019 1.00 0.00 N ATOM 705 CA THR A 44 -4.671 -15.379 -7.891 1.00 0.00 C ATOM 706 C THR A 44 -5.727 -14.977 -6.867 1.00 0.00 C ATOM 707 O THR A 44 -6.814 -15.553 -6.824 1.00 0.00 O ATOM 708 CB THR A 44 -4.063 -16.733 -7.479 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.279 -16.577 -6.290 1.00 0.00 O ATOM 710 CG2 THR A 44 -3.196 -17.299 -8.593 1.00 0.00 C ATOM 0 H THR A 44 -2.741 -14.609 -7.621 1.00 0.00 H new ATOM 0 HA THR A 44 -5.139 -15.481 -8.870 1.00 0.00 H new ATOM 0 HB THR A 44 -4.880 -17.429 -7.287 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.321 -15.645 -5.991 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.778 -18.255 -8.278 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.802 -17.444 -9.487 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.386 -16.603 -8.813 1.00 0.00 H new ATOM 718 N ARG A 45 -5.400 -13.985 -6.046 1.00 0.00 N ATOM 719 CA ARG A 45 -6.321 -13.506 -5.022 1.00 0.00 C ATOM 720 C ARG A 45 -6.947 -14.673 -4.265 1.00 0.00 C ATOM 721 O ARG A 45 -8.142 -14.664 -3.970 1.00 0.00 O ATOM 722 CB ARG A 45 -7.418 -12.647 -5.654 1.00 0.00 C ATOM 723 CG ARG A 45 -6.886 -11.449 -6.424 1.00 0.00 C ATOM 724 CD ARG A 45 -8.015 -10.548 -6.901 1.00 0.00 C ATOM 725 NE ARG A 45 -7.617 -9.731 -8.044 1.00 0.00 N ATOM 726 CZ ARG A 45 -8.481 -9.108 -8.838 1.00 0.00 C ATOM 727 NH1 ARG A 45 -9.784 -9.208 -8.614 1.00 0.00 N ATOM 728 NH2 ARG A 45 -8.041 -8.383 -9.859 1.00 0.00 N ATOM 0 H ARG A 45 -4.505 -13.497 -6.070 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.755 -12.899 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.010 -13.267 -6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.089 -12.296 -4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.207 -10.879 -5.789 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.307 -11.794 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.876 -11.159 -7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.331 -9.899 -6.084 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.622 -9.633 -8.244 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.126 -9.764 -7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.445 -8.728 -9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.039 -8.304 -10.034 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.705 -7.905 -10.468 1.00 0.00 H new ATOM 742 N GLN A 46 -6.131 -15.675 -3.954 1.00 0.00 N ATOM 743 CA GLN A 46 -6.606 -16.850 -3.232 1.00 0.00 C ATOM 744 C GLN A 46 -6.202 -16.786 -1.763 1.00 0.00 C ATOM 745 O GLN A 46 -6.781 -17.471 -0.919 1.00 0.00 O ATOM 746 CB GLN A 46 -6.051 -18.125 -3.870 1.00 0.00 C ATOM 747 CG GLN A 46 -6.758 -18.518 -5.157 1.00 0.00 C ATOM 748 CD GLN A 46 -6.764 -20.016 -5.386 1.00 0.00 C ATOM 749 OE1 GLN A 46 -7.522 -20.750 -4.750 1.00 0.00 O ATOM 750 NE2 GLN A 46 -5.917 -20.480 -6.298 1.00 0.00 N ATOM 0 H GLN A 46 -5.139 -15.697 -4.190 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.694 -16.866 -3.291 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.990 -17.986 -4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.133 -18.944 -3.156 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.785 -18.155 -5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.270 -18.028 -5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.307 -19.836 -6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.877 -21.480 -6.495 1.00 0.00 H new ATOM 759 N SER A 47 -5.206 -15.959 -1.463 1.00 0.00 N ATOM 760 CA SER A 47 -4.722 -15.808 -0.096 1.00 0.00 C ATOM 761 C SER A 47 -4.745 -14.343 0.331 1.00 0.00 C ATOM 762 O SER A 47 -3.837 -13.577 0.008 1.00 0.00 O ATOM 763 CB SER A 47 -3.302 -16.365 0.029 1.00 0.00 C ATOM 764 OG SER A 47 -3.030 -16.773 1.359 1.00 0.00 O ATOM 0 H SER A 47 -4.718 -15.383 -2.149 1.00 0.00 H new ATOM 0 HA SER A 47 -5.385 -16.370 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.179 -17.211 -0.647 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.582 -15.606 -0.276 1.00 0.00 H new ATOM 0 HG SER A 47 -2.118 -17.127 1.413 1.00 0.00 H new ATOM 770 N ILE A 48 -5.790 -13.962 1.058 1.00 0.00 N ATOM 771 CA ILE A 48 -5.932 -12.591 1.530 1.00 0.00 C ATOM 772 C ILE A 48 -4.867 -12.253 2.567 1.00 0.00 C ATOM 773 O ILE A 48 -4.965 -12.657 3.726 1.00 0.00 O ATOM 774 CB ILE A 48 -7.324 -12.347 2.142 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.394 -12.350 1.048 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.344 -11.032 2.907 1.00 0.00 C ATOM 777 CD1 ILE A 48 -9.796 -12.565 1.574 1.00 0.00 C ATOM 0 H ILE A 48 -6.550 -14.584 1.333 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.808 -11.945 0.661 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.544 -13.154 2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.357 -11.401 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.162 -13.133 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.335 -10.874 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.605 -11.066 3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.106 -10.213 2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.502 -12.555 0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.850 -13.527 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.048 -11.768 2.274 1.00 0.00 H new ATOM 789 N GLU A 49 -3.850 -11.509 2.143 1.00 0.00 N ATOM 790 CA GLU A 49 -2.767 -11.116 3.037 1.00 0.00 C ATOM 791 C GLU A 49 -3.315 -10.477 4.309 1.00 0.00 C ATOM 792 O GLU A 49 -3.033 -10.933 5.417 1.00 0.00 O ATOM 793 CB GLU A 49 -1.821 -10.143 2.331 1.00 0.00 C ATOM 794 CG GLU A 49 -0.684 -10.827 1.591 1.00 0.00 C ATOM 795 CD GLU A 49 0.377 -11.372 2.527 1.00 0.00 C ATOM 796 OE1 GLU A 49 1.005 -10.566 3.245 1.00 0.00 O ATOM 797 OE2 GLU A 49 0.580 -12.604 2.541 1.00 0.00 O ATOM 0 H GLU A 49 -3.754 -11.167 1.187 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.214 -12.014 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.393 -9.542 1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.403 -9.457 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.086 -11.642 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.226 -10.118 0.902 1.00 0.00 H new ATOM 804 N ASP A 50 -4.100 -9.419 4.141 1.00 0.00 N ATOM 805 CA ASP A 50 -4.690 -8.716 5.275 1.00 0.00 C ATOM 806 C ASP A 50 -5.675 -7.652 4.802 1.00 0.00 C ATOM 807 O ASP A 50 -5.815 -7.409 3.603 1.00 0.00 O ATOM 808 CB ASP A 50 -3.596 -8.073 6.128 1.00 0.00 C ATOM 809 CG ASP A 50 -4.078 -7.727 7.523 1.00 0.00 C ATOM 810 OD1 ASP A 50 -4.386 -8.661 8.293 1.00 0.00 O ATOM 811 OD2 ASP A 50 -4.146 -6.523 7.846 1.00 0.00 O ATOM 0 H ASP A 50 -4.343 -9.029 3.230 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.232 -9.443 5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.747 -8.753 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.240 -7.168 5.635 1.00 0.00 H new ATOM 816 N LYS A 51 -6.357 -7.020 5.752 1.00 0.00 N ATOM 817 CA LYS A 51 -7.329 -5.981 5.434 1.00 0.00 C ATOM 818 C LYS A 51 -7.169 -4.783 6.364 1.00 0.00 C ATOM 819 O LYS A 51 -7.017 -4.941 7.576 1.00 0.00 O ATOM 820 CB LYS A 51 -8.751 -6.536 5.539 1.00 0.00 C ATOM 821 CG LYS A 51 -9.814 -5.461 5.685 1.00 0.00 C ATOM 822 CD LYS A 51 -11.165 -6.057 6.045 1.00 0.00 C ATOM 823 CE LYS A 51 -11.654 -7.018 4.973 1.00 0.00 C ATOM 824 NZ LYS A 51 -11.211 -8.415 5.236 1.00 0.00 N ATOM 0 H LYS A 51 -6.254 -7.210 6.749 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.149 -5.650 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.967 -7.130 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.807 -7.209 6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.512 -4.751 6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.898 -4.903 4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.090 -6.581 6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.893 -5.257 6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.742 -6.985 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.282 -6.696 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.671 -8.768 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.609 -8.434 6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.043 -9.020 5.389 1.00 0.00 H new ATOM 838 N VAL A 52 -7.206 -3.585 5.791 1.00 0.00 N ATOM 839 CA VAL A 52 -7.068 -2.360 6.569 1.00 0.00 C ATOM 840 C VAL A 52 -7.824 -1.207 5.919 1.00 0.00 C ATOM 841 O VAL A 52 -7.870 -1.093 4.693 1.00 0.00 O ATOM 842 CB VAL A 52 -5.589 -1.962 6.733 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.473 -0.530 7.232 1.00 0.00 C ATOM 844 CG2 VAL A 52 -4.881 -2.923 7.676 1.00 0.00 C ATOM 0 H VAL A 52 -7.331 -3.436 4.790 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.494 -2.561 7.552 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.104 -2.022 5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.421 -0.267 7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.943 0.144 6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.972 -0.439 8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.837 -2.627 7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.365 -2.897 8.652 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.933 -3.934 7.272 1.00 0.00 H new ATOM 854 N HIS A 53 -8.416 -0.352 6.747 1.00 0.00 N ATOM 855 CA HIS A 53 -9.169 0.795 6.252 1.00 0.00 C ATOM 856 C HIS A 53 -8.248 1.987 6.011 1.00 0.00 C ATOM 857 O HIS A 53 -7.094 1.989 6.438 1.00 0.00 O ATOM 858 CB HIS A 53 -10.268 1.176 7.244 1.00 0.00 C ATOM 859 CG HIS A 53 -11.516 1.684 6.590 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.667 1.978 7.290 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.789 1.951 5.291 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.594 2.402 6.450 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.087 2.395 5.231 1.00 0.00 N ATOM 0 H HIS A 53 -8.389 -0.432 7.764 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.627 0.516 5.303 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.515 0.306 7.852 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.886 1.940 7.921 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.112 1.836 4.457 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.597 2.703 6.715 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.579 2.674 4.382 1.00 0.00 H new ATOM 872 N MET A 54 -8.767 3.000 5.323 1.00 0.00 N ATOM 873 CA MET A 54 -7.991 4.198 5.027 1.00 0.00 C ATOM 874 C MET A 54 -8.450 5.371 5.887 1.00 0.00 C ATOM 875 O MET A 54 -7.746 5.821 6.792 1.00 0.00 O ATOM 876 CB MET A 54 -8.116 4.558 3.545 1.00 0.00 C ATOM 877 CG MET A 54 -6.991 4.002 2.687 1.00 0.00 C ATOM 878 SD MET A 54 -5.373 4.642 3.162 1.00 0.00 S ATOM 879 CE MET A 54 -5.634 6.403 2.958 1.00 0.00 C ATOM 0 H MET A 54 -9.720 3.014 4.961 1.00 0.00 H new ATOM 0 HA MET A 54 -6.946 3.990 5.257 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.068 4.184 3.168 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.137 5.643 3.444 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.984 2.915 2.764 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.182 4.246 1.642 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.671 6.911 2.916 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.181 6.585 2.033 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.209 6.786 3.801 1.00 0.00 H new ATOM 889 N PRO A 55 -9.658 5.878 5.602 1.00 0.00 N ATOM 890 CA PRO A 55 -10.238 7.005 6.339 1.00 0.00 C ATOM 891 C PRO A 55 -10.626 6.627 7.764 1.00 0.00 C ATOM 892 O PRO A 55 -11.185 7.438 8.502 1.00 0.00 O ATOM 893 CB PRO A 55 -11.483 7.360 5.522 1.00 0.00 C ATOM 894 CG PRO A 55 -11.848 6.098 4.820 1.00 0.00 C ATOM 895 CD PRO A 55 -10.551 5.391 4.537 1.00 0.00 C ATOM 0 HA PRO A 55 -9.532 7.829 6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.293 7.704 6.165 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.276 8.162 4.813 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.501 5.482 5.439 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.388 6.307 3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.667 4.308 4.574 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.167 5.637 3.547 1.00 0.00 H new ATOM 903 N VAL A 56 -10.325 5.389 8.146 1.00 0.00 N ATOM 904 CA VAL A 56 -10.641 4.904 9.484 1.00 0.00 C ATOM 905 C VAL A 56 -9.381 4.467 10.222 1.00 0.00 C ATOM 906 O VAL A 56 -9.145 4.869 11.362 1.00 0.00 O ATOM 907 CB VAL A 56 -11.629 3.724 9.434 1.00 0.00 C ATOM 908 CG1 VAL A 56 -11.700 3.029 10.786 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.007 4.200 8.998 1.00 0.00 C ATOM 0 H VAL A 56 -9.863 4.704 7.547 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.103 5.733 10.020 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.269 3.003 8.700 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.403 2.198 10.731 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.713 2.652 11.054 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.035 3.738 11.543 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.692 3.353 8.968 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.377 4.941 9.706 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -12.940 4.648 8.006 1.00 0.00 H new ATOM 919 N ASP A 57 -8.573 3.642 9.565 1.00 0.00 N ATOM 920 CA ASP A 57 -7.335 3.151 10.157 1.00 0.00 C ATOM 921 C ASP A 57 -6.167 4.073 9.818 1.00 0.00 C ATOM 922 O ASP A 57 -5.380 4.440 10.691 1.00 0.00 O ATOM 923 CB ASP A 57 -7.039 1.732 9.670 1.00 0.00 C ATOM 924 CG ASP A 57 -8.049 0.723 10.178 1.00 0.00 C ATOM 925 OD1 ASP A 57 -9.229 1.097 10.344 1.00 0.00 O ATOM 926 OD2 ASP A 57 -7.660 -0.441 10.412 1.00 0.00 O ATOM 0 H ASP A 57 -8.754 3.299 8.621 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.460 3.136 11.240 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.033 1.719 8.580 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.041 1.439 9.997 1.00 0.00 H new ATOM 931 N CYS A 58 -6.061 4.441 8.546 1.00 0.00 N ATOM 932 CA CYS A 58 -4.989 5.318 8.091 1.00 0.00 C ATOM 933 C CYS A 58 -5.290 6.772 8.440 1.00 0.00 C ATOM 934 O CYS A 58 -6.298 7.329 8.002 1.00 0.00 O ATOM 935 CB CYS A 58 -4.789 5.174 6.582 1.00 0.00 C ATOM 936 SG CYS A 58 -3.611 6.350 5.877 1.00 0.00 S ATOM 0 H CYS A 58 -6.704 4.146 7.812 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.072 5.023 8.601 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.448 4.161 6.367 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.751 5.298 6.085 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.737 6.683 6.780 1.00 0.00 H new ATOM 942 N ILE A 59 -4.413 7.380 9.230 1.00 0.00 N ATOM 943 CA ILE A 59 -4.586 8.769 9.638 1.00 0.00 C ATOM 944 C ILE A 59 -3.704 9.698 8.811 1.00 0.00 C ATOM 945 O ILE A 59 -4.060 10.849 8.562 1.00 0.00 O ATOM 946 CB ILE A 59 -4.259 8.963 11.130 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.022 8.147 11.514 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.450 8.565 11.989 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.480 8.482 12.886 1.00 0.00 C ATOM 0 H ILE A 59 -3.575 6.933 9.601 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.633 9.019 9.469 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.045 10.017 11.306 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.271 7.086 11.480 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.241 8.315 10.773 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.204 8.708 13.041 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.309 9.185 11.730 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.692 7.517 11.812 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.604 7.866 13.092 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.199 9.535 12.919 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.245 8.287 13.637 1.00 0.00 H new ATOM 961 N ASN A 60 -2.552 9.189 8.386 1.00 0.00 N ATOM 962 CA ASN A 60 -1.619 9.974 7.585 1.00 0.00 C ATOM 963 C ASN A 60 -0.938 9.102 6.535 1.00 0.00 C ATOM 964 O ASN A 60 -1.077 7.879 6.543 1.00 0.00 O ATOM 965 CB ASN A 60 -0.567 10.627 8.483 1.00 0.00 C ATOM 966 CG ASN A 60 -0.051 11.934 7.913 1.00 0.00 C ATOM 967 OD1 ASN A 60 -0.647 12.504 7.000 1.00 0.00 O ATOM 968 ND2 ASN A 60 1.065 12.414 8.451 1.00 0.00 N ATOM 0 H ASN A 60 -2.242 8.237 8.583 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.184 10.754 7.074 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.996 10.808 9.468 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.267 9.939 8.620 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.461 13.289 8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.526 11.907 9.207 1.00 0.00 H new ATOM 975 N ILE A 61 -0.200 9.740 5.632 1.00 0.00 N ATOM 976 CA ILE A 61 0.505 9.023 4.577 1.00 0.00 C ATOM 977 C ILE A 61 1.914 9.573 4.385 1.00 0.00 C ATOM 978 O ILE A 61 2.097 10.660 3.835 1.00 0.00 O ATOM 979 CB ILE A 61 -0.253 9.103 3.239 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.754 8.919 3.466 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.274 8.056 2.269 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.604 9.409 2.315 1.00 0.00 C ATOM 0 H ILE A 61 -0.075 10.752 5.610 1.00 0.00 H new ATOM 0 HA ILE A 61 0.565 7.980 4.889 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.089 10.089 2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.961 7.862 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.044 9.450 4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.271 8.125 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.335 8.229 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.137 7.063 2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.657 9.247 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.426 10.473 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.342 8.861 1.410 1.00 0.00 H new ATOM 994 N ARG A 62 2.907 8.816 4.840 1.00 0.00 N ATOM 995 CA ARG A 62 4.300 9.227 4.717 1.00 0.00 C ATOM 996 C ARG A 62 4.923 8.664 3.443 1.00 0.00 C ATOM 997 O ARG A 62 4.991 7.448 3.257 1.00 0.00 O ATOM 998 CB ARG A 62 5.100 8.765 5.936 1.00 0.00 C ATOM 999 CG ARG A 62 4.776 9.537 7.205 1.00 0.00 C ATOM 1000 CD ARG A 62 5.976 9.607 8.136 1.00 0.00 C ATOM 1001 NE ARG A 62 5.959 10.811 8.962 1.00 0.00 N ATOM 1002 CZ ARG A 62 5.271 10.917 10.094 1.00 0.00 C ATOM 1003 NH1 ARG A 62 4.549 9.895 10.532 1.00 0.00 N ATOM 1004 NH2 ARG A 62 5.306 12.046 10.790 1.00 0.00 N ATOM 0 H ARG A 62 2.772 7.914 5.297 1.00 0.00 H new ATOM 0 HA ARG A 62 4.328 10.315 4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.908 7.706 6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.164 8.865 5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.455 10.546 6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.942 9.060 7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.988 8.727 8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.893 9.584 7.547 1.00 0.00 H new ATOM 0 HE ARG A 62 6.505 11.615 8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.521 9.025 10.000 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.022 9.978 11.401 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.861 12.834 10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.777 12.126 11.659 1.00 0.00 H new ATOM 1018 N THR A 63 5.378 9.555 2.568 1.00 0.00 N ATOM 1019 CA THR A 63 5.994 9.148 1.312 1.00 0.00 C ATOM 1020 C THR A 63 7.248 9.965 1.024 1.00 0.00 C ATOM 1021 O THR A 63 7.275 11.176 1.238 1.00 0.00 O ATOM 1022 CB THR A 63 5.015 9.298 0.132 1.00 0.00 C ATOM 1023 OG1 THR A 63 4.746 10.684 -0.108 1.00 0.00 O ATOM 1024 CG2 THR A 63 3.713 8.564 0.412 1.00 0.00 C ATOM 0 H THR A 63 5.331 10.564 2.707 1.00 0.00 H new ATOM 0 HA THR A 63 6.265 8.098 1.419 1.00 0.00 H new ATOM 0 HB THR A 63 5.477 8.860 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.556 10.820 -1.060 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.038 8.684 -0.435 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.918 7.504 0.565 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.248 8.976 1.308 1.00 0.00 H new ATOM 1032 N GLY A 64 8.287 9.294 0.536 1.00 0.00 N ATOM 1033 CA GLY A 64 9.531 9.975 0.226 1.00 0.00 C ATOM 1034 C GLY A 64 10.443 10.092 1.431 1.00 0.00 C ATOM 1035 O GLY A 64 10.921 9.087 1.957 1.00 0.00 O ATOM 0 H GLY A 64 8.290 8.291 0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.049 9.436 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.311 10.971 -0.157 1.00 0.00 H new ATOM 1039 N HIS A 65 10.688 11.323 1.868 1.00 0.00 N ATOM 1040 CA HIS A 65 11.551 11.569 3.018 1.00 0.00 C ATOM 1041 C HIS A 65 10.732 11.666 4.302 1.00 0.00 C ATOM 1042 O HIS A 65 11.056 12.445 5.198 1.00 0.00 O ATOM 1043 CB HIS A 65 12.356 12.853 2.814 1.00 0.00 C ATOM 1044 CG HIS A 65 13.017 12.938 1.473 1.00 0.00 C ATOM 1045 ND1 HIS A 65 13.817 11.937 0.963 1.00 0.00 N ATOM 1046 CD2 HIS A 65 12.993 13.913 0.535 1.00 0.00 C ATOM 1047 CE1 HIS A 65 14.257 12.293 -0.230 1.00 0.00 C ATOM 1048 NE2 HIS A 65 13.771 13.488 -0.514 1.00 0.00 N ATOM 0 H HIS A 65 10.301 12.166 1.443 1.00 0.00 H new ATOM 0 HA HIS A 65 12.239 10.729 3.110 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.695 13.710 2.939 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.118 12.922 3.591 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.461 14.851 0.599 1.00 0.00 H new ATOM 0 HE1 HIS A 65 14.904 11.707 -0.866 1.00 0.00 H new ATOM 0 HE2 HIS A 65 13.945 14.010 -1.373 1.00 0.00 H new ATOM 1057 N GLU A 66 9.669 10.872 4.381 1.00 0.00 N ATOM 1058 CA GLU A 66 8.802 10.871 5.554 1.00 0.00 C ATOM 1059 C GLU A 66 9.033 9.623 6.400 1.00 0.00 C ATOM 1060 O GLU A 66 9.125 9.698 7.626 1.00 0.00 O ATOM 1061 CB GLU A 66 7.334 10.951 5.132 1.00 0.00 C ATOM 1062 CG GLU A 66 6.980 12.233 4.398 1.00 0.00 C ATOM 1063 CD GLU A 66 5.492 12.525 4.419 1.00 0.00 C ATOM 1064 OE1 GLU A 66 4.975 12.899 5.492 1.00 0.00 O ATOM 1065 OE2 GLU A 66 4.845 12.380 3.360 1.00 0.00 O ATOM 0 H GLU A 66 9.387 10.222 3.647 1.00 0.00 H new ATOM 0 HA GLU A 66 9.047 11.747 6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.102 10.100 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.705 10.864 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.517 13.067 4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.318 12.161 3.364 1.00 0.00 H new ATOM 1072 N CYS A 67 9.125 8.475 5.737 1.00 0.00 N ATOM 1073 CA CYS A 67 9.344 7.209 6.427 1.00 0.00 C ATOM 1074 C CYS A 67 10.815 7.032 6.787 1.00 0.00 C ATOM 1075 O CYS A 67 11.638 6.703 5.933 1.00 0.00 O ATOM 1076 CB CYS A 67 8.876 6.042 5.556 1.00 0.00 C ATOM 1077 SG CYS A 67 9.435 6.132 3.839 1.00 0.00 S ATOM 0 H CYS A 67 9.051 8.395 4.723 1.00 0.00 H new ATOM 0 HA CYS A 67 8.763 7.222 7.349 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.232 5.110 5.994 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.787 6.006 5.571 1.00 0.00 H new ATOM 0 HG CYS A 67 10.689 6.474 3.808 1.00 0.00 H new ATOM 1083 N ARG A 68 11.140 7.256 8.056 1.00 0.00 N ATOM 1084 CA ARG A 68 12.513 7.124 8.529 1.00 0.00 C ATOM 1085 C ARG A 68 12.688 5.845 9.342 1.00 0.00 C ATOM 1086 O ARG A 68 13.802 5.493 9.732 1.00 0.00 O ATOM 1087 CB ARG A 68 12.902 8.337 9.375 1.00 0.00 C ATOM 1088 CG ARG A 68 14.367 8.723 9.250 1.00 0.00 C ATOM 1089 CD ARG A 68 14.672 9.312 7.882 1.00 0.00 C ATOM 1090 NE ARG A 68 14.543 10.767 7.871 1.00 0.00 N ATOM 1091 CZ ARG A 68 15.458 11.590 8.370 1.00 0.00 C ATOM 1092 NH1 ARG A 68 16.564 11.104 8.916 1.00 0.00 N ATOM 1093 NH2 ARG A 68 15.268 12.902 8.323 1.00 0.00 N ATOM 0 H ARG A 68 10.471 7.530 8.775 1.00 0.00 H new ATOM 0 HA ARG A 68 13.167 7.072 7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.285 9.186 9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.679 8.126 10.421 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.621 9.447 10.024 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.991 7.845 9.417 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.684 9.036 7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.995 8.883 7.143 1.00 0.00 H new ATOM 0 HE ARG A 68 13.704 11.173 7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.714 10.096 8.954 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.265 11.738 9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.418 13.280 7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.971 13.533 8.707 1.00 0.00 H new ATOM 1107 N ASP A 69 11.581 5.155 9.596 1.00 0.00 N ATOM 1108 CA ASP A 69 11.612 3.915 10.363 1.00 0.00 C ATOM 1109 C ASP A 69 11.632 2.704 9.436 1.00 0.00 C ATOM 1110 O ASP A 69 11.585 1.561 9.892 1.00 0.00 O ATOM 1111 CB ASP A 69 10.404 3.839 11.297 1.00 0.00 C ATOM 1112 CG ASP A 69 9.154 4.431 10.677 1.00 0.00 C ATOM 1113 OD1 ASP A 69 9.079 4.488 9.432 1.00 0.00 O ATOM 1114 OD2 ASP A 69 8.250 4.836 11.437 1.00 0.00 O ATOM 0 H ASP A 69 10.651 5.433 9.282 1.00 0.00 H new ATOM 0 HA ASP A 69 12.524 3.908 10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.217 2.798 11.560 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.631 4.366 12.223 1.00 0.00 H new ATOM 1119 N ILE A 70 11.701 2.962 8.134 1.00 0.00 N ATOM 1120 CA ILE A 70 11.726 1.892 7.144 1.00 0.00 C ATOM 1121 C ILE A 70 12.898 2.061 6.184 1.00 0.00 C ATOM 1122 O ILE A 70 13.561 3.097 6.175 1.00 0.00 O ATOM 1123 CB ILE A 70 10.417 1.842 6.335 1.00 0.00 C ATOM 1124 CG1 ILE A 70 10.491 2.800 5.145 1.00 0.00 C ATOM 1125 CG2 ILE A 70 9.231 2.185 7.225 1.00 0.00 C ATOM 1126 CD1 ILE A 70 9.226 2.833 4.316 1.00 0.00 C ATOM 0 H ILE A 70 11.741 3.902 7.740 1.00 0.00 H new ATOM 0 HA ILE A 70 11.839 0.957 7.692 1.00 0.00 H new ATOM 0 HB ILE A 70 10.280 0.830 5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.702 3.805 5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.326 2.510 4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.313 2.145 6.639 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.170 1.467 8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.359 3.188 7.631 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.350 3.533 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.024 1.838 3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.391 3.152 4.939 1.00 0.00 H new ATOM 1138 N GLN A 71 13.146 1.035 5.376 1.00 0.00 N ATOM 1139 CA GLN A 71 14.238 1.070 4.410 1.00 0.00 C ATOM 1140 C GLN A 71 13.766 0.599 3.038 1.00 0.00 C ATOM 1141 O GLN A 71 13.025 -0.376 2.910 1.00 0.00 O ATOM 1142 CB GLN A 71 15.400 0.199 4.890 1.00 0.00 C ATOM 1143 CG GLN A 71 14.956 -1.085 5.573 1.00 0.00 C ATOM 1144 CD GLN A 71 16.106 -2.040 5.823 1.00 0.00 C ATOM 1145 OE1 GLN A 71 16.926 -2.289 4.938 1.00 0.00 O ATOM 1146 NE2 GLN A 71 16.174 -2.581 7.034 1.00 0.00 N ATOM 0 H GLN A 71 12.606 0.170 5.371 1.00 0.00 H new ATOM 0 HA GLN A 71 14.579 2.101 4.322 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.031 -0.052 4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.014 0.776 5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 71 14.478 -0.841 6.522 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.205 -1.579 4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 71 15.473 -2.347 7.737 1.00 0.00 H new ATOM 0 HE22 GLN A 71 16.927 -3.231 7.261 1.00 0.00 H new ATOM 1155 N PRO A 72 14.205 1.306 1.986 1.00 0.00 N ATOM 1156 CA PRO A 72 13.840 0.978 0.604 1.00 0.00 C ATOM 1157 C PRO A 72 14.486 -0.318 0.126 1.00 0.00 C ATOM 1158 O PRO A 72 15.610 -0.653 0.498 1.00 0.00 O ATOM 1159 CB PRO A 72 14.376 2.169 -0.196 1.00 0.00 C ATOM 1160 CG PRO A 72 15.489 2.712 0.633 1.00 0.00 C ATOM 1161 CD PRO A 72 15.091 2.480 2.064 1.00 0.00 C ATOM 0 HA PRO A 72 12.767 0.819 0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.730 1.859 -1.179 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.601 2.918 -0.358 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.428 2.209 0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.639 3.774 0.437 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.958 2.288 2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.576 3.345 2.483 1.00 0.00 H new ATOM 1169 N PRO A 73 13.759 -1.065 -0.718 1.00 0.00 N ATOM 1170 CA PRO A 73 14.241 -2.337 -1.265 1.00 0.00 C ATOM 1171 C PRO A 73 15.380 -2.144 -2.261 1.00 0.00 C ATOM 1172 O PRO A 73 15.296 -1.307 -3.160 1.00 0.00 O ATOM 1173 CB PRO A 73 13.008 -2.911 -1.967 1.00 0.00 C ATOM 1174 CG PRO A 73 12.176 -1.723 -2.305 1.00 0.00 C ATOM 1175 CD PRO A 73 12.410 -0.727 -1.203 1.00 0.00 C ATOM 0 HA PRO A 73 14.648 -2.987 -0.490 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.286 -3.467 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.468 -3.600 -1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.461 -1.309 -3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.122 -1.991 -2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.360 0.298 -1.571 1.00 0.00 H new ATOM 0 HD3 PRO A 73 11.664 -0.819 -0.413 1.00 0.00 H new ATOM 1183 N ASP A 74 16.443 -2.923 -2.095 1.00 0.00 N ATOM 1184 CA ASP A 74 17.598 -2.839 -2.981 1.00 0.00 C ATOM 1185 C ASP A 74 17.161 -2.785 -4.441 1.00 0.00 C ATOM 1186 O ASP A 74 16.515 -3.705 -4.941 1.00 0.00 O ATOM 1187 CB ASP A 74 18.527 -4.034 -2.758 1.00 0.00 C ATOM 1188 CG ASP A 74 19.286 -3.941 -1.449 1.00 0.00 C ATOM 1189 OD1 ASP A 74 19.649 -2.813 -1.053 1.00 0.00 O ATOM 1190 OD2 ASP A 74 19.518 -4.995 -0.821 1.00 0.00 O ATOM 0 H ASP A 74 16.529 -3.620 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 74 18.137 -1.921 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 74 17.941 -4.953 -2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.237 -4.097 -3.583 1.00 0.00 H new ATOM 1195 N GLY A 75 17.516 -1.698 -5.121 1.00 0.00 N ATOM 1196 CA GLY A 75 17.150 -1.544 -6.516 1.00 0.00 C ATOM 1197 C GLY A 75 16.030 -0.541 -6.715 1.00 0.00 C ATOM 1198 O GLY A 75 15.525 -0.374 -7.825 1.00 0.00 O ATOM 0 H GLY A 75 18.050 -0.922 -4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.024 -1.226 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.844 -2.510 -6.917 1.00 0.00 H new ATOM 1202 N LYS A 76 15.639 0.127 -5.635 1.00 0.00 N ATOM 1203 CA LYS A 76 14.571 1.118 -5.694 1.00 0.00 C ATOM 1204 C LYS A 76 14.974 2.396 -4.963 1.00 0.00 C ATOM 1205 O LYS A 76 15.650 2.364 -3.935 1.00 0.00 O ATOM 1206 CB LYS A 76 13.287 0.552 -5.083 1.00 0.00 C ATOM 1207 CG LYS A 76 12.689 -0.594 -5.880 1.00 0.00 C ATOM 1208 CD LYS A 76 12.183 -0.128 -7.235 1.00 0.00 C ATOM 1209 CE LYS A 76 11.563 -1.271 -8.022 1.00 0.00 C ATOM 1210 NZ LYS A 76 11.574 -1.006 -9.488 1.00 0.00 N ATOM 0 H LYS A 76 16.046 0.000 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 76 14.391 1.360 -6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.497 0.208 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.550 1.351 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.440 -1.372 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.868 -1.040 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.445 0.662 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.007 0.302 -7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.108 -2.192 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.537 -1.427 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.127 -1.801 -9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.047 -0.132 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.556 -0.900 -9.814 1.00 0.00 H new ATOM 1224 N PRO A 77 14.548 3.547 -5.504 1.00 0.00 N ATOM 1225 CA PRO A 77 14.851 4.856 -4.919 1.00 0.00 C ATOM 1226 C PRO A 77 14.114 5.088 -3.604 1.00 0.00 C ATOM 1227 O PRO A 77 13.441 4.193 -3.093 1.00 0.00 O ATOM 1228 CB PRO A 77 14.366 5.842 -5.985 1.00 0.00 C ATOM 1229 CG PRO A 77 13.314 5.101 -6.735 1.00 0.00 C ATOM 1230 CD PRO A 77 13.738 3.659 -6.729 1.00 0.00 C ATOM 0 HA PRO A 77 15.908 4.958 -4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.965 6.749 -5.532 1.00 0.00 H new ATOM 0 HB3 PRO A 77 15.180 6.147 -6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.339 5.223 -6.263 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.224 5.477 -7.754 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.880 2.988 -6.706 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.316 3.406 -7.618 1.00 0.00 H new ATOM 1238 N ARG A 78 14.245 6.294 -3.063 1.00 0.00 N ATOM 1239 CA ARG A 78 13.591 6.643 -1.807 1.00 0.00 C ATOM 1240 C ARG A 78 12.379 7.536 -2.054 1.00 0.00 C ATOM 1241 O ARG A 78 11.750 8.021 -1.113 1.00 0.00 O ATOM 1242 CB ARG A 78 14.576 7.349 -0.873 1.00 0.00 C ATOM 1243 CG ARG A 78 14.248 7.176 0.601 1.00 0.00 C ATOM 1244 CD ARG A 78 14.985 8.194 1.458 1.00 0.00 C ATOM 1245 NE ARG A 78 16.288 7.701 1.895 1.00 0.00 N ATOM 1246 CZ ARG A 78 17.011 8.280 2.846 1.00 0.00 C ATOM 1247 NH1 ARG A 78 16.561 9.368 3.457 1.00 0.00 N ATOM 1248 NH2 ARG A 78 18.188 7.772 3.189 1.00 0.00 N ATOM 0 H ARG A 78 14.798 7.046 -3.474 1.00 0.00 H new ATOM 0 HA ARG A 78 13.251 5.721 -1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.579 6.967 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.591 8.413 -1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.174 7.282 0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.516 6.169 0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.118 9.116 0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.379 8.440 2.330 1.00 0.00 H new ATOM 0 HE ARG A 78 16.663 6.866 1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.657 9.762 3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.119 9.810 4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 78 18.538 6.936 2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.742 8.218 3.920 1.00 0.00 H new ATOM 1262 N ASP A 79 12.058 7.750 -3.326 1.00 0.00 N ATOM 1263 CA ASP A 79 10.921 8.584 -3.697 1.00 0.00 C ATOM 1264 C ASP A 79 9.696 7.728 -4.005 1.00 0.00 C ATOM 1265 O ASP A 79 8.589 8.245 -4.162 1.00 0.00 O ATOM 1266 CB ASP A 79 11.271 9.450 -4.908 1.00 0.00 C ATOM 1267 CG ASP A 79 12.566 10.216 -4.718 1.00 0.00 C ATOM 1268 OD1 ASP A 79 12.606 11.104 -3.840 1.00 0.00 O ATOM 1269 OD2 ASP A 79 13.538 9.927 -5.445 1.00 0.00 O ATOM 0 H ASP A 79 12.569 7.357 -4.117 1.00 0.00 H new ATOM 0 HA ASP A 79 10.686 9.232 -2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.353 8.817 -5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.460 10.154 -5.094 1.00 0.00 H new ATOM 1274 N CYS A 80 9.903 6.419 -4.091 1.00 0.00 N ATOM 1275 CA CYS A 80 8.815 5.491 -4.383 1.00 0.00 C ATOM 1276 C CYS A 80 8.300 4.840 -3.104 1.00 0.00 C ATOM 1277 O CYS A 80 7.415 3.983 -3.144 1.00 0.00 O ATOM 1278 CB CYS A 80 9.284 4.416 -5.364 1.00 0.00 C ATOM 1279 SG CYS A 80 10.790 3.556 -4.854 1.00 0.00 S ATOM 0 H CYS A 80 10.813 5.976 -3.963 1.00 0.00 H new ATOM 0 HA CYS A 80 8.000 6.055 -4.836 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.487 3.684 -5.493 1.00 0.00 H new ATOM 0 HB3 CYS A 80 9.454 4.877 -6.337 1.00 0.00 H new ATOM 0 HG CYS A 80 10.475 2.516 -4.140 1.00 0.00 H new ATOM 1285 N LEU A 81 8.859 5.249 -1.971 1.00 0.00 N ATOM 1286 CA LEU A 81 8.457 4.703 -0.679 1.00 0.00 C ATOM 1287 C LEU A 81 7.085 5.229 -0.269 1.00 0.00 C ATOM 1288 O LEU A 81 6.831 6.434 -0.314 1.00 0.00 O ATOM 1289 CB LEU A 81 9.492 5.058 0.391 1.00 0.00 C ATOM 1290 CG LEU A 81 10.793 4.255 0.358 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.654 4.584 1.567 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.497 2.763 0.302 1.00 0.00 C ATOM 0 H LEU A 81 9.592 5.957 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 81 8.397 3.619 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.738 6.115 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.032 4.927 1.371 1.00 0.00 H new ATOM 0 HG LEU A 81 11.345 4.530 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.575 4.003 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.895 5.647 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.110 4.338 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.434 2.207 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.924 2.472 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.921 2.540 -0.596 1.00 0.00 H new ATOM 1304 N LEU A 82 6.204 4.319 0.133 1.00 0.00 N ATOM 1305 CA LEU A 82 4.858 4.691 0.553 1.00 0.00 C ATOM 1306 C LEU A 82 4.506 4.042 1.888 1.00 0.00 C ATOM 1307 O LEU A 82 4.459 2.818 2.000 1.00 0.00 O ATOM 1308 CB LEU A 82 3.838 4.280 -0.511 1.00 0.00 C ATOM 1309 CG LEU A 82 2.436 4.872 -0.360 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.331 6.192 -1.108 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.387 3.889 -0.859 1.00 0.00 C ATOM 0 H LEU A 82 6.398 3.319 0.177 1.00 0.00 H new ATOM 0 HA LEU A 82 4.829 5.774 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.228 4.565 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.754 3.193 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 82 2.254 5.062 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.327 6.599 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.058 6.897 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.533 6.028 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.395 4.326 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.567 3.668 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.447 2.968 -0.279 1.00 0.00 H new ATOM 1323 N GLN A 83 4.257 4.872 2.896 1.00 0.00 N ATOM 1324 CA GLN A 83 3.908 4.379 4.223 1.00 0.00 C ATOM 1325 C GLN A 83 2.520 4.859 4.634 1.00 0.00 C ATOM 1326 O GLN A 83 2.204 6.044 4.521 1.00 0.00 O ATOM 1327 CB GLN A 83 4.945 4.838 5.250 1.00 0.00 C ATOM 1328 CG GLN A 83 5.119 3.872 6.411 1.00 0.00 C ATOM 1329 CD GLN A 83 6.092 4.385 7.455 1.00 0.00 C ATOM 1330 OE1 GLN A 83 7.383 4.280 7.164 1.00 0.00 O flip ATOM 1331 NE2 GLN A 83 5.687 4.870 8.512 1.00 0.00 N flip ATOM 0 H GLN A 83 4.290 5.889 2.819 1.00 0.00 H new ATOM 0 HA GLN A 83 3.900 3.290 4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.905 4.970 4.751 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.652 5.813 5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.151 3.693 6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.471 2.913 6.031 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.685 4.931 8.694 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.353 5.211 9.205 1.00 0.00 H new ATOM 1340 N ILE A 84 1.696 3.933 5.112 1.00 0.00 N ATOM 1341 CA ILE A 84 0.343 4.262 5.541 1.00 0.00 C ATOM 1342 C ILE A 84 0.247 4.322 7.061 1.00 0.00 C ATOM 1343 O ILE A 84 -0.026 3.316 7.717 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.680 3.239 5.013 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.582 3.126 3.490 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -2.088 3.634 5.431 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -1.071 4.358 2.761 1.00 0.00 C ATOM 0 H ILE A 84 1.942 2.948 5.212 1.00 0.00 H new ATOM 0 HA ILE A 84 0.111 5.243 5.126 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.454 2.265 5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.455 2.938 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.161 2.264 3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.800 2.901 5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.149 3.668 6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.326 4.617 5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.972 4.208 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.118 4.536 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.476 5.220 3.063 1.00 0.00 H new ATOM 1359 N VAL A 85 0.472 5.508 7.617 1.00 0.00 N ATOM 1360 CA VAL A 85 0.408 5.701 9.061 1.00 0.00 C ATOM 1361 C VAL A 85 -0.994 5.420 9.591 1.00 0.00 C ATOM 1362 O VAL A 85 -1.927 6.186 9.345 1.00 0.00 O ATOM 1363 CB VAL A 85 0.817 7.133 9.455 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.788 7.299 10.966 1.00 0.00 C ATOM 1365 CG2 VAL A 85 2.193 7.465 8.899 1.00 0.00 C ATOM 0 H VAL A 85 0.700 6.350 7.089 1.00 0.00 H new ATOM 0 HA VAL A 85 1.110 4.996 9.506 1.00 0.00 H new ATOM 0 HB VAL A 85 0.099 7.830 9.024 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.080 8.317 11.226 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.219 7.105 11.334 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.483 6.594 11.423 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.466 8.480 9.187 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.926 6.765 9.299 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.174 7.389 7.812 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.134 4.319 10.320 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.423 3.936 10.886 1.00 0.00 C ATOM 1377 C CYS A 86 -2.585 4.495 12.296 1.00 0.00 C ATOM 1378 O CYS A 86 -1.638 5.022 12.878 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.561 2.413 10.909 1.00 0.00 C ATOM 1380 SG CYS A 86 -3.111 1.698 9.342 1.00 0.00 S ATOM 0 H CYS A 86 -0.372 3.676 10.533 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.208 4.355 10.256 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.599 1.976 11.178 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.268 2.135 11.691 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.956 0.738 9.576 1.00 0.00 H new ATOM 1386 N ARG A 87 -3.793 4.377 12.838 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.080 4.873 14.179 1.00 0.00 C ATOM 1388 C ARG A 87 -2.879 4.679 15.099 1.00 0.00 C ATOM 1389 O ARG A 87 -2.246 3.623 15.096 1.00 0.00 O ATOM 1390 CB ARG A 87 -5.302 4.159 14.759 1.00 0.00 C ATOM 1391 CG ARG A 87 -6.625 4.675 14.216 1.00 0.00 C ATOM 1392 CD ARG A 87 -7.682 3.582 14.191 1.00 0.00 C ATOM 1393 NE ARG A 87 -7.182 2.351 13.584 1.00 0.00 N ATOM 1394 CZ ARG A 87 -7.838 1.196 13.617 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -9.015 1.116 14.222 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -7.318 0.119 13.042 1.00 0.00 N ATOM 0 H ARG A 87 -4.588 3.943 12.370 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.292 5.940 14.107 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.223 3.093 14.547 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.296 4.270 15.843 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.973 5.505 14.831 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.479 5.064 13.208 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.014 3.376 15.208 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.553 3.932 13.636 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.280 2.380 13.109 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.419 1.942 14.663 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.517 0.228 14.246 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.414 0.177 12.574 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.823 -0.767 13.068 1.00 0.00 H new ATOM 1410 N ASP A 88 -2.572 5.704 15.886 1.00 0.00 N ATOM 1411 CA ASP A 88 -1.447 5.646 16.813 1.00 0.00 C ATOM 1412 C ASP A 88 -1.275 4.237 17.371 1.00 0.00 C ATOM 1413 O ASP A 88 -1.989 3.829 18.287 1.00 0.00 O ATOM 1414 CB ASP A 88 -1.650 6.640 17.957 1.00 0.00 C ATOM 1415 CG ASP A 88 -0.623 6.472 19.059 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -0.461 5.336 19.552 1.00 0.00 O ATOM 1417 OD2 ASP A 88 0.021 7.477 19.428 1.00 0.00 O ATOM 0 H ASP A 88 -3.086 6.585 15.901 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.543 5.913 16.266 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.596 7.656 17.566 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.649 6.512 18.373 1.00 0.00 H new ATOM 1422 N GLY A 89 -0.323 3.496 16.812 1.00 0.00 N ATOM 1423 CA GLY A 89 -0.075 2.140 17.266 1.00 0.00 C ATOM 1424 C GLY A 89 -0.040 1.144 16.124 1.00 0.00 C ATOM 1425 O GLY A 89 -0.250 -0.052 16.327 1.00 0.00 O ATOM 0 H GLY A 89 0.281 3.811 16.053 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.874 2.107 17.802 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.851 1.849 17.974 1.00 0.00 H new ATOM 1429 N LYS A 90 0.224 1.637 14.919 1.00 0.00 N ATOM 1430 CA LYS A 90 0.286 0.782 13.739 1.00 0.00 C ATOM 1431 C LYS A 90 0.739 1.574 12.517 1.00 0.00 C ATOM 1432 O LYS A 90 0.378 2.740 12.349 1.00 0.00 O ATOM 1433 CB LYS A 90 -1.082 0.149 13.471 1.00 0.00 C ATOM 1434 CG LYS A 90 -1.056 -0.920 12.392 1.00 0.00 C ATOM 1435 CD LYS A 90 -2.432 -1.130 11.782 1.00 0.00 C ATOM 1436 CE LYS A 90 -2.448 -2.324 10.840 1.00 0.00 C ATOM 1437 NZ LYS A 90 -1.519 -2.137 9.692 1.00 0.00 N ATOM 0 H LYS A 90 0.399 2.625 14.733 1.00 0.00 H new ATOM 0 HA LYS A 90 1.014 -0.007 13.930 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.458 -0.289 14.396 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.784 0.930 13.180 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.351 -0.634 11.612 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.698 -1.858 12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.164 -1.282 12.576 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.731 -0.233 11.240 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.170 -3.224 11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.460 -2.478 10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.790 -2.776 8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.570 -1.152 9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.547 -2.351 9.993 1.00 0.00 H new ATOM 1451 N THR A 91 1.532 0.933 11.663 1.00 0.00 N ATOM 1452 CA THR A 91 2.034 1.578 10.456 1.00 0.00 C ATOM 1453 C THR A 91 2.439 0.545 9.410 1.00 0.00 C ATOM 1454 O THR A 91 3.136 -0.423 9.717 1.00 0.00 O ATOM 1455 CB THR A 91 3.242 2.482 10.763 1.00 0.00 C ATOM 1456 OG1 THR A 91 2.894 3.439 11.770 1.00 0.00 O ATOM 1457 CG2 THR A 91 3.709 3.206 9.509 1.00 0.00 C ATOM 0 H THR A 91 1.840 -0.032 11.785 1.00 0.00 H new ATOM 0 HA THR A 91 1.222 2.191 10.063 1.00 0.00 H new ATOM 0 HB THR A 91 4.056 1.853 11.125 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.920 3.548 11.795 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.563 3.838 9.751 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.000 2.475 8.754 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.898 3.823 9.122 1.00 0.00 H new ATOM 1465 N ILE A 92 2.000 0.758 8.174 1.00 0.00 N ATOM 1466 CA ILE A 92 2.320 -0.153 7.082 1.00 0.00 C ATOM 1467 C ILE A 92 3.390 0.435 6.170 1.00 0.00 C ATOM 1468 O ILE A 92 3.365 1.625 5.854 1.00 0.00 O ATOM 1469 CB ILE A 92 1.072 -0.486 6.243 1.00 0.00 C ATOM 1470 CG1 ILE A 92 -0.003 -1.130 7.121 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.440 -1.405 5.088 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -1.413 -0.866 6.641 1.00 0.00 C ATOM 0 H ILE A 92 1.422 1.554 7.904 1.00 0.00 H new ATOM 0 HA ILE A 92 2.698 -1.069 7.536 1.00 0.00 H new ATOM 0 HB ILE A 92 0.672 0.440 5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.165 -2.206 7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.101 -0.758 8.140 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.548 -1.631 4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.175 -0.913 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.862 -2.331 5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.122 -1.352 7.311 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.599 0.208 6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.535 -1.263 5.633 1.00 0.00 H new ATOM 1484 N SER A 93 4.329 -0.406 5.748 1.00 0.00 N ATOM 1485 CA SER A 93 5.410 0.031 4.873 1.00 0.00 C ATOM 1486 C SER A 93 5.236 -0.538 3.468 1.00 0.00 C ATOM 1487 O SER A 93 5.202 -1.754 3.278 1.00 0.00 O ATOM 1488 CB SER A 93 6.763 -0.398 5.445 1.00 0.00 C ATOM 1489 OG SER A 93 6.730 -0.433 6.861 1.00 0.00 O ATOM 0 H SER A 93 4.363 -1.394 5.998 1.00 0.00 H new ATOM 0 HA SER A 93 5.377 1.119 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.028 -1.383 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.537 0.294 5.113 1.00 0.00 H new ATOM 0 HG SER A 93 7.606 -0.712 7.202 1.00 0.00 H new ATOM 1495 N LEU A 94 5.125 0.351 2.487 1.00 0.00 N ATOM 1496 CA LEU A 94 4.954 -0.061 1.098 1.00 0.00 C ATOM 1497 C LEU A 94 6.020 0.569 0.207 1.00 0.00 C ATOM 1498 O LEU A 94 6.571 1.622 0.532 1.00 0.00 O ATOM 1499 CB LEU A 94 3.561 0.326 0.598 1.00 0.00 C ATOM 1500 CG LEU A 94 2.387 -0.112 1.475 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.091 0.514 0.983 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.275 -1.629 1.496 1.00 0.00 C ATOM 0 H LEU A 94 5.150 1.361 2.627 1.00 0.00 H new ATOM 0 HA LEU A 94 5.062 -1.145 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.524 1.410 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.423 -0.098 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 94 2.569 0.233 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.267 0.191 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.174 1.600 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.902 0.200 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.435 -1.923 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.116 -1.996 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.194 -2.056 1.896 1.00 0.00 H new ATOM 1514 N CYS A 95 6.304 -0.080 -0.916 1.00 0.00 N ATOM 1515 CA CYS A 95 7.303 0.419 -1.855 1.00 0.00 C ATOM 1516 C CYS A 95 6.842 0.222 -3.295 1.00 0.00 C ATOM 1517 O CYS A 95 6.715 -0.908 -3.768 1.00 0.00 O ATOM 1518 CB CYS A 95 8.640 -0.291 -1.633 1.00 0.00 C ATOM 1519 SG CYS A 95 9.973 0.294 -2.706 1.00 0.00 S ATOM 0 H CYS A 95 5.857 -0.952 -1.199 1.00 0.00 H new ATOM 0 HA CYS A 95 7.432 1.487 -1.677 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.941 -0.160 -0.594 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.502 -1.360 -1.793 1.00 0.00 H new ATOM 0 HG CYS A 95 9.594 0.221 -3.947 1.00 0.00 H new ATOM 1525 N ALA A 96 6.591 1.328 -3.987 1.00 0.00 N ATOM 1526 CA ALA A 96 6.144 1.277 -5.374 1.00 0.00 C ATOM 1527 C ALA A 96 7.310 0.999 -6.316 1.00 0.00 C ATOM 1528 O ALA A 96 8.458 1.318 -6.009 1.00 0.00 O ATOM 1529 CB ALA A 96 5.454 2.579 -5.754 1.00 0.00 C ATOM 0 H ALA A 96 6.690 2.271 -3.610 1.00 0.00 H new ATOM 0 HA ALA A 96 5.430 0.459 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.125 2.527 -6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.591 2.735 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.151 3.408 -5.635 1.00 0.00 H new ATOM 1535 N GLU A 97 7.007 0.402 -7.465 1.00 0.00 N ATOM 1536 CA GLU A 97 8.032 0.080 -8.451 1.00 0.00 C ATOM 1537 C GLU A 97 8.841 1.320 -8.819 1.00 0.00 C ATOM 1538 O GLU A 97 10.059 1.354 -8.644 1.00 0.00 O ATOM 1539 CB GLU A 97 7.393 -0.516 -9.707 1.00 0.00 C ATOM 1540 CG GLU A 97 7.022 -1.983 -9.564 1.00 0.00 C ATOM 1541 CD GLU A 97 6.344 -2.536 -10.802 1.00 0.00 C ATOM 1542 OE1 GLU A 97 5.134 -2.279 -10.980 1.00 0.00 O ATOM 1543 OE2 GLU A 97 7.021 -3.226 -11.592 1.00 0.00 O ATOM 0 H GLU A 97 6.061 0.132 -7.735 1.00 0.00 H new ATOM 0 HA GLU A 97 8.706 -0.655 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.497 0.054 -9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.083 -0.404 -10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.921 -2.563 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.360 -2.105 -8.707 1.00 0.00 H new ATOM 1550 N SER A 98 8.155 2.338 -9.330 1.00 0.00 N ATOM 1551 CA SER A 98 8.810 3.579 -9.727 1.00 0.00 C ATOM 1552 C SER A 98 8.096 4.786 -9.127 1.00 0.00 C ATOM 1553 O SER A 98 6.909 4.724 -8.805 1.00 0.00 O ATOM 1554 CB SER A 98 8.843 3.698 -11.252 1.00 0.00 C ATOM 1555 OG SER A 98 9.891 2.917 -11.802 1.00 0.00 O ATOM 0 H SER A 98 7.146 2.328 -9.479 1.00 0.00 H new ATOM 0 HA SER A 98 9.832 3.558 -9.349 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.888 3.374 -11.666 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.976 4.742 -11.536 1.00 0.00 H new ATOM 0 HG SER A 98 9.890 3.009 -12.778 1.00 0.00 H new ATOM 1561 N THR A 99 8.829 5.885 -8.978 1.00 0.00 N ATOM 1562 CA THR A 99 8.268 7.107 -8.415 1.00 0.00 C ATOM 1563 C THR A 99 6.851 7.347 -8.924 1.00 0.00 C ATOM 1564 O THR A 99 5.934 7.593 -8.140 1.00 0.00 O ATOM 1565 CB THR A 99 9.137 8.333 -8.756 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.462 8.151 -8.244 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.533 9.602 -8.174 1.00 0.00 C ATOM 0 H THR A 99 9.813 5.954 -9.239 1.00 0.00 H new ATOM 0 HA THR A 99 8.246 6.975 -7.333 1.00 0.00 H new ATOM 0 HB THR A 99 9.177 8.433 -9.841 1.00 0.00 H new ATOM 0 HG1 THR A 99 11.009 8.933 -8.466 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.163 10.454 -8.427 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.536 9.753 -8.587 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.467 9.509 -7.090 1.00 0.00 H new ATOM 1575 N ASP A 100 6.679 7.272 -10.239 1.00 0.00 N ATOM 1576 CA ASP A 100 5.372 7.479 -10.852 1.00 0.00 C ATOM 1577 C ASP A 100 4.322 6.578 -10.209 1.00 0.00 C ATOM 1578 O ASP A 100 3.224 7.026 -9.878 1.00 0.00 O ATOM 1579 CB ASP A 100 5.442 7.209 -12.356 1.00 0.00 C ATOM 1580 CG ASP A 100 6.433 8.114 -13.061 1.00 0.00 C ATOM 1581 OD1 ASP A 100 6.213 9.343 -13.065 1.00 0.00 O ATOM 1582 OD2 ASP A 100 7.427 7.593 -13.609 1.00 0.00 O ATOM 0 H ASP A 100 7.428 7.069 -10.901 1.00 0.00 H new ATOM 0 HA ASP A 100 5.082 8.517 -10.690 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.722 6.169 -12.523 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.453 7.347 -12.793 1.00 0.00 H new ATOM 1587 N ASP A 101 4.666 5.307 -10.036 1.00 0.00 N ATOM 1588 CA ASP A 101 3.753 4.342 -9.433 1.00 0.00 C ATOM 1589 C ASP A 101 3.338 4.788 -8.034 1.00 0.00 C ATOM 1590 O ASP A 101 2.164 4.713 -7.671 1.00 0.00 O ATOM 1591 CB ASP A 101 4.406 2.961 -9.369 1.00 0.00 C ATOM 1592 CG ASP A 101 4.202 2.165 -10.643 1.00 0.00 C ATOM 1593 OD1 ASP A 101 3.070 2.169 -11.170 1.00 0.00 O ATOM 1594 OD2 ASP A 101 5.174 1.536 -11.112 1.00 0.00 O ATOM 0 H ASP A 101 5.571 4.920 -10.305 1.00 0.00 H new ATOM 0 HA ASP A 101 2.861 4.284 -10.056 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.474 3.075 -9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.993 2.406 -8.527 1.00 0.00 H new ATOM 1599 N CYS A 102 4.309 5.250 -7.254 1.00 0.00 N ATOM 1600 CA CYS A 102 4.045 5.705 -5.894 1.00 0.00 C ATOM 1601 C CYS A 102 3.102 6.904 -5.896 1.00 0.00 C ATOM 1602 O CYS A 102 2.056 6.885 -5.245 1.00 0.00 O ATOM 1603 CB CYS A 102 5.355 6.073 -5.194 1.00 0.00 C ATOM 1604 SG CYS A 102 5.159 6.534 -3.457 1.00 0.00 S ATOM 0 H CYS A 102 5.286 5.319 -7.540 1.00 0.00 H new ATOM 0 HA CYS A 102 3.567 4.890 -5.350 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.040 5.227 -5.259 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.820 6.901 -5.728 1.00 0.00 H new ATOM 0 HG CYS A 102 6.321 6.826 -2.952 1.00 0.00 H new ATOM 1610 N LEU A 103 3.478 7.945 -6.629 1.00 0.00 N ATOM 1611 CA LEU A 103 2.666 9.155 -6.714 1.00 0.00 C ATOM 1612 C LEU A 103 1.223 8.817 -7.072 1.00 0.00 C ATOM 1613 O LEU A 103 0.286 9.422 -6.551 1.00 0.00 O ATOM 1614 CB LEU A 103 3.251 10.113 -7.754 1.00 0.00 C ATOM 1615 CG LEU A 103 4.385 11.017 -7.271 1.00 0.00 C ATOM 1616 CD1 LEU A 103 5.229 11.488 -8.445 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.829 12.205 -6.500 1.00 0.00 C ATOM 0 H LEU A 103 4.340 7.977 -7.174 1.00 0.00 H new ATOM 0 HA LEU A 103 2.675 9.639 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.616 9.525 -8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.446 10.744 -8.131 1.00 0.00 H new ATOM 0 HG LEU A 103 5.022 10.441 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.031 12.130 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.658 10.625 -8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.604 12.047 -9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.651 12.837 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.168 12.782 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.269 11.848 -5.636 1.00 0.00 H new ATOM 1629 N ALA A 104 1.051 7.846 -7.963 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.279 7.425 -8.387 1.00 0.00 C ATOM 1631 C ALA A 104 -1.118 6.975 -7.196 1.00 0.00 C ATOM 1632 O ALA A 104 -2.249 7.426 -7.015 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.176 6.307 -9.414 1.00 0.00 C ATOM 0 H ALA A 104 1.816 7.336 -8.405 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.775 8.281 -8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.176 6.002 -9.722 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.379 6.661 -10.283 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.343 5.456 -8.974 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.558 6.083 -6.387 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.256 5.571 -5.213 1.00 0.00 C ATOM 1641 C TRP A 105 -1.514 6.685 -4.205 1.00 0.00 C ATOM 1642 O TRP A 105 -2.651 6.908 -3.787 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.444 4.453 -4.558 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.745 3.095 -5.117 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.078 2.327 -5.891 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.953 2.347 -4.947 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.547 1.146 -6.212 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.794 1.133 -5.645 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.154 2.582 -4.272 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.790 0.162 -5.686 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -4.142 1.618 -4.314 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.956 0.419 -5.016 1.00 0.00 C ATOM 0 H TRP A 105 0.377 5.699 -6.522 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.216 5.170 -5.538 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.618 4.663 -4.685 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.643 4.449 -3.486 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.073 2.607 -6.204 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -0.147 0.400 -6.781 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.307 3.502 -3.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.648 -0.762 -6.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -5.074 1.791 -3.797 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.747 -0.316 -5.029 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.453 7.384 -3.817 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.564 8.477 -2.858 1.00 0.00 C ATOM 1665 C LYS A 106 -1.781 9.345 -3.162 1.00 0.00 C ATOM 1666 O LYS A 106 -2.600 9.613 -2.283 1.00 0.00 O ATOM 1667 CB LYS A 106 0.704 9.333 -2.880 1.00 0.00 C ATOM 1668 CG LYS A 106 0.529 10.697 -2.234 1.00 0.00 C ATOM 1669 CD LYS A 106 1.868 11.353 -1.943 1.00 0.00 C ATOM 1670 CE LYS A 106 1.700 12.810 -1.540 1.00 0.00 C ATOM 1671 NZ LYS A 106 1.249 13.652 -2.682 1.00 0.00 N ATOM 0 H LYS A 106 0.495 7.213 -4.152 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.686 8.045 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.503 8.797 -2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.023 9.468 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.056 11.339 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.035 10.592 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.374 10.810 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.505 11.290 -2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.976 12.881 -0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.646 13.193 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.404 14.655 -2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.791 13.401 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.237 13.488 -2.855 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.894 9.781 -4.412 1.00 0.00 N ATOM 1686 CA PHE A 107 -3.012 10.618 -4.832 1.00 0.00 C ATOM 1687 C PHE A 107 -4.344 9.970 -4.467 1.00 0.00 C ATOM 1688 O PHE A 107 -5.183 10.579 -3.801 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.951 10.870 -6.340 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.805 11.748 -6.755 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.590 12.968 -6.135 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.943 11.353 -7.766 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.537 13.778 -6.515 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.112 12.159 -8.150 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.316 13.372 -7.524 1.00 0.00 C ATOM 0 H PHE A 107 -1.225 9.569 -5.152 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.936 11.571 -4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.872 9.914 -6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.886 11.330 -6.662 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.253 13.290 -5.346 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.098 10.405 -8.259 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.381 14.727 -6.024 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.776 11.840 -8.939 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.141 14.003 -7.822 1.00 0.00 H new ATOM 1705 N THR A 108 -4.533 8.730 -4.908 1.00 0.00 N ATOM 1706 CA THR A 108 -5.763 7.999 -4.630 1.00 0.00 C ATOM 1707 C THR A 108 -6.046 7.948 -3.133 1.00 0.00 C ATOM 1708 O THR A 108 -7.144 8.282 -2.687 1.00 0.00 O ATOM 1709 CB THR A 108 -5.698 6.561 -5.178 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.409 6.584 -6.581 1.00 0.00 O ATOM 1711 CG2 THR A 108 -7.010 5.830 -4.938 1.00 0.00 C ATOM 0 H THR A 108 -3.850 8.211 -5.459 1.00 0.00 H new ATOM 0 HA THR A 108 -6.569 8.535 -5.131 1.00 0.00 H new ATOM 0 HB THR A 108 -4.904 6.031 -4.652 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.464 6.804 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.940 4.817 -5.334 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.213 5.788 -3.868 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.819 6.360 -5.440 1.00 0.00 H new ATOM 1719 N LEU A 109 -5.049 7.528 -2.362 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.191 7.434 -0.913 1.00 0.00 C ATOM 1721 C LEU A 109 -5.637 8.767 -0.321 1.00 0.00 C ATOM 1722 O LEU A 109 -6.521 8.813 0.533 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.868 6.999 -0.279 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.269 5.694 -0.805 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.791 5.608 -0.460 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.021 4.497 -0.241 1.00 0.00 C ATOM 0 H LEU A 109 -4.134 7.247 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.955 6.688 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.139 7.795 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.019 6.899 0.796 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.369 5.682 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.382 4.673 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.262 6.447 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.667 5.642 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.581 3.577 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.953 4.504 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.068 4.551 -0.540 1.00 0.00 H new ATOM 1738 N GLN A 110 -5.020 9.850 -0.784 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.355 11.184 -0.301 1.00 0.00 C ATOM 1740 C GLN A 110 -6.821 11.508 -0.570 1.00 0.00 C ATOM 1741 O GLN A 110 -7.506 12.081 0.277 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.459 12.231 -0.966 1.00 0.00 C ATOM 1743 CG GLN A 110 -3.091 12.362 -0.316 1.00 0.00 C ATOM 1744 CD GLN A 110 -2.509 13.754 -0.456 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -2.938 14.536 -1.305 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -1.527 14.073 0.379 1.00 0.00 N ATOM 0 H GLN A 110 -4.286 9.829 -1.492 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.188 11.205 0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.329 11.972 -2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.961 13.198 -0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -3.170 12.110 0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.409 11.640 -0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.202 13.394 1.067 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.098 14.997 0.332 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.295 11.140 -1.755 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.680 11.390 -2.136 1.00 0.00 C ATOM 1757 C ASP A 111 -9.610 10.349 -1.521 1.00 0.00 C ATOM 1758 O ASP A 111 -10.816 10.569 -1.408 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.822 11.382 -3.659 1.00 0.00 C ATOM 1760 CG ASP A 111 -10.013 12.191 -4.134 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -10.372 13.175 -3.454 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.586 11.840 -5.186 1.00 0.00 O ATOM 0 H ASP A 111 -6.740 10.667 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.963 12.372 -1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.913 11.782 -4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.923 10.354 -4.006 1.00 0.00 H new ATOM 1767 N SER A 112 -9.041 9.215 -1.124 1.00 0.00 N ATOM 1768 CA SER A 112 -9.820 8.138 -0.525 1.00 0.00 C ATOM 1769 C SER A 112 -10.128 8.440 0.939 1.00 0.00 C ATOM 1770 O SER A 112 -11.170 8.042 1.460 1.00 0.00 O ATOM 1771 CB SER A 112 -9.065 6.812 -0.635 1.00 0.00 C ATOM 1772 OG SER A 112 -8.131 6.667 0.420 1.00 0.00 O ATOM 0 H SER A 112 -8.043 9.019 -1.206 1.00 0.00 H new ATOM 0 HA SER A 112 -10.762 8.058 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 112 -9.773 5.984 -0.614 1.00 0.00 H new ATOM 0 HB3 SER A 112 -8.547 6.764 -1.593 1.00 0.00 H new ATOM 0 HG SER A 112 -7.601 7.487 0.503 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.214 9.147 1.596 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.386 9.502 2.999 1.00 0.00 C ATOM 1780 C ARG A 113 -10.310 10.707 3.145 1.00 0.00 C ATOM 1781 O ARG A 113 -11.046 10.825 4.126 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.031 9.803 3.641 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.274 10.934 2.964 1.00 0.00 C ATOM 1784 CD ARG A 113 -5.973 11.245 3.687 1.00 0.00 C ATOM 1785 NE ARG A 113 -5.397 12.516 3.256 1.00 0.00 N ATOM 1786 CZ ARG A 113 -5.808 13.698 3.701 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -6.792 13.771 4.587 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -5.234 14.810 3.261 1.00 0.00 N ATOM 0 H ARG A 113 -8.347 9.485 1.179 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.841 8.653 3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.184 10.056 4.690 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.419 8.902 3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.061 10.663 1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.899 11.827 2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -6.154 11.275 4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.257 10.443 3.506 1.00 0.00 H new ATOM 0 HE ARG A 113 -4.637 12.495 2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.235 12.918 4.928 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.106 14.680 4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -4.476 14.758 2.580 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.550 15.717 3.603 1.00 0.00 H new ATOM 1802 N THR A 114 -10.265 11.603 2.164 1.00 0.00 N ATOM 1803 CA THR A 114 -11.096 12.800 2.184 1.00 0.00 C ATOM 1804 C THR A 114 -12.519 12.490 1.735 1.00 0.00 C ATOM 1805 O THR A 114 -13.462 13.191 2.100 1.00 0.00 O ATOM 1806 CB THR A 114 -10.514 13.903 1.279 1.00 0.00 C ATOM 1807 OG1 THR A 114 -9.815 13.314 0.177 1.00 0.00 O ATOM 1808 CG2 THR A 114 -9.570 14.803 2.062 1.00 0.00 C ATOM 0 H THR A 114 -9.662 11.522 1.346 1.00 0.00 H new ATOM 0 HA THR A 114 -11.112 13.155 3.214 1.00 0.00 H new ATOM 0 HB THR A 114 -11.340 14.508 0.904 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.875 13.181 0.419 1.00 0.00 H new ATOM 0 HG21 THR A 114 -9.172 15.574 1.402 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.112 15.272 2.883 1.00 0.00 H new ATOM 0 HG23 THR A 114 -8.749 14.208 2.463 1.00 0.00 H new ATOM 1816 N SER A 115 -12.668 11.434 0.942 1.00 0.00 N ATOM 1817 CA SER A 115 -13.977 11.032 0.441 1.00 0.00 C ATOM 1818 C SER A 115 -14.694 10.140 1.449 1.00 0.00 C ATOM 1819 O SER A 115 -14.366 8.963 1.599 1.00 0.00 O ATOM 1820 CB SER A 115 -13.832 10.298 -0.894 1.00 0.00 C ATOM 1821 OG SER A 115 -15.079 9.788 -1.333 1.00 0.00 O ATOM 0 H SER A 115 -11.898 10.841 0.632 1.00 0.00 H new ATOM 0 HA SER A 115 -14.573 11.932 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.429 10.978 -1.645 1.00 0.00 H new ATOM 0 HB3 SER A 115 -13.118 9.481 -0.788 1.00 0.00 H new ATOM 0 HG SER A 115 -14.960 9.325 -2.188 1.00 0.00 H new ATOM 1827 N GLY A 116 -15.677 10.709 2.141 1.00 0.00 N ATOM 1828 CA GLY A 116 -16.426 9.953 3.127 1.00 0.00 C ATOM 1829 C GLY A 116 -17.818 9.595 2.647 1.00 0.00 C ATOM 1830 O GLY A 116 -18.050 8.521 2.092 1.00 0.00 O ATOM 0 H GLY A 116 -15.968 11.681 2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -15.883 9.040 3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -16.500 10.534 4.046 1.00 0.00 H new ATOM 1834 N PRO A 117 -18.776 10.508 2.864 1.00 0.00 N ATOM 1835 CA PRO A 117 -20.170 10.305 2.458 1.00 0.00 C ATOM 1836 C PRO A 117 -20.344 10.338 0.944 1.00 0.00 C ATOM 1837 O PRO A 117 -21.380 9.929 0.419 1.00 0.00 O ATOM 1838 CB PRO A 117 -20.903 11.482 3.107 1.00 0.00 C ATOM 1839 CG PRO A 117 -19.863 12.537 3.263 1.00 0.00 C ATOM 1840 CD PRO A 117 -18.572 11.810 3.520 1.00 0.00 C ATOM 0 HA PRO A 117 -20.546 9.329 2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -21.727 11.828 2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -21.329 11.201 4.070 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -19.793 13.152 2.366 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -20.106 13.205 4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -17.720 12.343 3.098 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -18.380 11.697 4.587 1.00 0.00 H new ATOM 1848 N SER A 118 -19.324 10.828 0.246 1.00 0.00 N ATOM 1849 CA SER A 118 -19.366 10.917 -1.209 1.00 0.00 C ATOM 1850 C SER A 118 -19.308 9.529 -1.840 1.00 0.00 C ATOM 1851 O SER A 118 -18.286 8.847 -1.774 1.00 0.00 O ATOM 1852 CB SER A 118 -18.206 11.772 -1.722 1.00 0.00 C ATOM 1853 OG SER A 118 -18.131 11.735 -3.136 1.00 0.00 O ATOM 0 H SER A 118 -18.459 11.169 0.665 1.00 0.00 H new ATOM 0 HA SER A 118 -20.308 11.387 -1.493 1.00 0.00 H new ATOM 0 HB2 SER A 118 -18.334 12.802 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 118 -17.269 11.413 -1.296 1.00 0.00 H new ATOM 0 HG SER A 118 -17.383 12.291 -3.439 1.00 0.00 H new ATOM 1859 N SER A 119 -20.414 9.118 -2.453 1.00 0.00 N ATOM 1860 CA SER A 119 -20.491 7.811 -3.094 1.00 0.00 C ATOM 1861 C SER A 119 -19.368 7.637 -4.111 1.00 0.00 C ATOM 1862 O SER A 119 -18.598 6.679 -4.045 1.00 0.00 O ATOM 1863 CB SER A 119 -21.848 7.635 -3.780 1.00 0.00 C ATOM 1864 OG SER A 119 -22.078 6.278 -4.113 1.00 0.00 O ATOM 0 H SER A 119 -21.268 9.671 -2.519 1.00 0.00 H new ATOM 0 HA SER A 119 -20.380 7.049 -2.323 1.00 0.00 H new ATOM 0 HB2 SER A 119 -22.641 7.991 -3.122 1.00 0.00 H new ATOM 0 HB3 SER A 119 -21.885 8.246 -4.682 1.00 0.00 H new ATOM 0 HG SER A 119 -22.952 6.192 -4.548 1.00 0.00 H new ATOM 1870 N GLY A 120 -19.280 8.571 -5.053 1.00 0.00 N ATOM 1871 CA GLY A 120 -18.249 8.504 -6.071 1.00 0.00 C ATOM 1872 C GLY A 120 -17.766 9.875 -6.499 1.00 0.00 C ATOM 1873 O GLY A 120 -17.981 10.289 -7.638 1.00 0.00 O ATOM 0 H GLY A 120 -19.905 9.373 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -17.405 7.927 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -18.635 7.971 -6.940 1.00 0.00 H new TER 1877 GLY A 120