USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 795 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 113 SER OG : rot 180:sc= 0.392 USER MOD Set 1.2: A 115 SER OG : rot 89:sc= 0.422 USER MOD Set 2.1: A 70 GLN : amide:sc= 0.36 K(o=1.6,f=-2.8!) USER MOD Set 2.2: A 91 SER OG : rot 37:sc= 1.22 USER MOD Set 3.1: A 68 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 126 HIS : no HD1:sc= 0 X(o=0,f=0.11) USER MOD Set 4.1: A 62 GLN : amide:sc= -1.53 K(o=-1.1,f=-2.7!) USER MOD Set 4.2: A 67 SER OG : rot 35:sc= 0.46 USER MOD Set 5.1: A 38 THR OG1 : rot 74:sc= 0.472 USER MOD Set 5.2: A 40 SER OG : rot -155:sc= 0.665 USER MOD Set 5.3: A 47 GLN :FLIP amide:sc= -0.106 F(o=-2.1,f=-1.1) USER MOD Set 5.4: A 58 MET CE :methyl -123:sc= -2.41! (180deg=-4.5!) USER MOD Set 5.5: A 98 THR OG1 : rot -112:sc= -0.23 USER MOD Set 5.6: A 127 SER OG : rot -130:sc= 0.463 USER MOD Set 6.1: A 57 HIS : no HE2:sc= -0.42! C(o=-0.42!,f=-3!) USER MOD Set 6.2: A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 43:sc= 1.23 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0317 F(o=-1.4!,f=-0.032) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= -0.099 (180deg=-0.511) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.11 F(o=-1.1,f=-0.11) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -38:sc= 0.523 USER MOD Single : A 63 SER OG : rot 80:sc= 1.83 USER MOD Single : A 69 LYS NZ :NH3+ -134:sc= 0.0215 (180deg=-0.253) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0896 X(o=-0.09,f=-0.3) USER MOD Single : A 78 SER OG : rot -90:sc= 0.00249 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.06) USER MOD Single : A 82 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.12) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.388 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.329 F(o=-3.7!,f=-0.33) USER MOD Single : A 104 SER OG : rot -132:sc= 1.25 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.338 F(o=-1.6!,f=-0.34) USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc=-0.00614 X(o=-0.0061,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.860 -1.337 10.644 1.00 0.00 N ATOM 24 CA LEU A 26 -7.528 -0.759 10.751 1.00 0.00 C ATOM 25 C LEU A 26 -7.316 0.263 9.649 1.00 0.00 C ATOM 26 O LEU A 26 -6.924 -0.080 8.536 1.00 0.00 O ATOM 27 CB LEU A 26 -6.454 -1.852 10.669 1.00 0.00 C ATOM 28 CG LEU A 26 -6.392 -2.808 11.863 1.00 0.00 C ATOM 29 CD1 LEU A 26 -5.358 -3.896 11.616 1.00 0.00 C ATOM 30 CD2 LEU A 26 -6.066 -2.051 13.142 1.00 0.00 C ATOM 0 HA LEU A 26 -7.443 -0.264 11.719 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.625 -2.438 9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.481 -1.373 10.559 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.370 -3.274 11.980 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.325 -4.568 12.473 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.629 -4.460 10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.378 -3.441 11.474 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.027 -2.749 13.978 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.100 -1.557 13.036 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.837 -1.304 13.329 1.00 0.00 H new ATOM 42 N SER A 27 -7.592 1.515 9.955 1.00 0.00 N ATOM 43 CA SER A 27 -7.481 2.572 8.969 1.00 0.00 C ATOM 44 C SER A 27 -6.044 3.072 8.908 1.00 0.00 C ATOM 45 O SER A 27 -5.414 3.283 9.944 1.00 0.00 O ATOM 46 CB SER A 27 -8.422 3.722 9.331 1.00 0.00 C ATOM 47 OG SER A 27 -9.705 3.237 9.698 1.00 0.00 O ATOM 0 H SER A 27 -7.895 1.826 10.878 1.00 0.00 H new ATOM 0 HA SER A 27 -7.762 2.180 7.991 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.998 4.297 10.154 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.515 4.400 8.483 1.00 0.00 H new ATOM 0 HG SER A 27 -10.287 3.992 9.926 1.00 0.00 H new ATOM 53 N TRP A 28 -5.524 3.267 7.699 1.00 0.00 N ATOM 54 CA TRP A 28 -4.157 3.764 7.533 1.00 0.00 C ATOM 55 C TRP A 28 -4.062 5.266 7.819 1.00 0.00 C ATOM 56 O TRP A 28 -3.157 5.949 7.341 1.00 0.00 O ATOM 57 CB TRP A 28 -3.600 3.434 6.135 1.00 0.00 C ATOM 58 CG TRP A 28 -4.368 4.005 4.966 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.478 4.803 4.996 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.059 3.811 3.578 1.00 0.00 C ATOM 61 NE1 TRP A 28 -5.876 5.105 3.717 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.023 4.511 2.831 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.060 3.109 2.897 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.014 4.531 1.438 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.052 3.132 1.515 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.025 3.837 0.798 1.00 0.00 C ATOM 0 H TRP A 28 -6.021 3.091 6.826 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.540 3.248 8.268 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.573 3.794 6.080 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.564 2.350 6.026 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.970 5.146 5.894 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.680 5.681 3.468 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.307 2.558 3.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.763 5.076 0.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.282 2.597 0.980 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.994 3.833 -0.282 1.00 0.00 H new ATOM 77 N TYR A 29 -5.003 5.773 8.599 1.00 0.00 N ATOM 78 CA TYR A 29 -4.971 7.156 9.040 1.00 0.00 C ATOM 79 C TYR A 29 -4.644 7.235 10.528 1.00 0.00 C ATOM 80 O TYR A 29 -4.248 8.287 11.032 1.00 0.00 O ATOM 81 CB TYR A 29 -6.311 7.839 8.770 1.00 0.00 C ATOM 82 CG TYR A 29 -6.640 7.988 7.300 1.00 0.00 C ATOM 83 CD1 TYR A 29 -5.993 8.935 6.519 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.597 7.183 6.695 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.289 9.078 5.179 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.897 7.320 5.353 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.239 8.268 4.601 1.00 0.00 C ATOM 88 OH TYR A 29 -7.532 8.407 3.265 1.00 0.00 O ATOM 0 H TYR A 29 -5.804 5.242 8.941 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.193 7.672 8.477 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.103 7.267 9.253 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.304 8.826 9.232 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.245 9.571 6.968 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.114 6.439 7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.777 9.822 4.587 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.643 6.687 4.896 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.701 8.515 2.757 1.00 0.00 H new ATOM 98 N ASP A 30 -4.804 6.110 11.223 1.00 0.00 N ATOM 99 CA ASP A 30 -4.563 6.050 12.661 1.00 0.00 C ATOM 100 C ASP A 30 -3.086 6.253 12.974 1.00 0.00 C ATOM 101 O ASP A 30 -2.213 5.717 12.292 1.00 0.00 O ATOM 102 CB ASP A 30 -5.035 4.710 13.232 1.00 0.00 C ATOM 103 CG ASP A 30 -6.544 4.618 13.334 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.110 5.184 14.296 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.170 3.985 12.459 1.00 0.00 O ATOM 0 H ASP A 30 -5.101 5.226 10.810 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.132 6.854 13.128 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.667 3.901 12.601 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.599 4.567 14.220 1.00 0.00 H new ATOM 110 N PRO A 31 -2.796 7.031 14.031 1.00 0.00 N ATOM 111 CA PRO A 31 -1.427 7.390 14.416 1.00 0.00 C ATOM 112 C PRO A 31 -0.584 6.181 14.789 1.00 0.00 C ATOM 113 O PRO A 31 0.639 6.218 14.696 1.00 0.00 O ATOM 114 CB PRO A 31 -1.606 8.291 15.643 1.00 0.00 C ATOM 115 CG PRO A 31 -3.030 8.722 15.616 1.00 0.00 C ATOM 116 CD PRO A 31 -3.790 7.619 14.939 1.00 0.00 C ATOM 0 HA PRO A 31 -0.903 7.868 13.588 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.377 7.752 16.562 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.935 9.149 15.601 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.405 8.890 16.626 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.142 9.661 15.074 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.162 6.887 15.657 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.655 8.001 14.396 1.00 0.00 H new ATOM 124 N ASP A 32 -1.243 5.113 15.216 1.00 0.00 N ATOM 125 CA ASP A 32 -0.549 3.905 15.646 1.00 0.00 C ATOM 126 C ASP A 32 -0.348 2.937 14.485 1.00 0.00 C ATOM 127 O ASP A 32 0.284 1.892 14.648 1.00 0.00 O ATOM 128 CB ASP A 32 -1.325 3.209 16.767 1.00 0.00 C ATOM 129 CG ASP A 32 -2.667 2.680 16.302 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.596 3.491 16.112 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.795 1.447 16.120 1.00 0.00 O ATOM 0 H ASP A 32 -2.260 5.058 15.274 1.00 0.00 H new ATOM 0 HA ASP A 32 0.430 4.205 16.019 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.729 2.385 17.159 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.479 3.910 17.587 1.00 0.00 H new ATOM 136 N PHE A 33 -0.877 3.283 13.318 1.00 0.00 N ATOM 137 CA PHE A 33 -0.763 2.417 12.153 1.00 0.00 C ATOM 138 C PHE A 33 0.660 2.474 11.606 1.00 0.00 C ATOM 139 O PHE A 33 1.258 3.549 11.509 1.00 0.00 O ATOM 140 CB PHE A 33 -1.777 2.820 11.075 1.00 0.00 C ATOM 141 CG PHE A 33 -2.001 1.754 10.037 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.887 0.715 10.282 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.331 1.784 8.822 1.00 0.00 C ATOM 144 CE1 PHE A 33 -3.100 -0.270 9.338 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.540 0.800 7.876 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.426 -0.228 8.134 1.00 0.00 C ATOM 0 H PHE A 33 -1.386 4.152 13.154 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.984 1.392 12.452 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.728 3.058 11.552 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.431 3.729 10.583 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.417 0.676 11.222 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.638 2.586 8.614 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.793 -1.073 9.541 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.011 0.834 6.935 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.591 -0.998 7.395 1.00 0.00 H new ATOM 156 N GLN A 34 1.200 1.316 11.261 1.00 0.00 N ATOM 157 CA GLN A 34 2.589 1.209 10.839 1.00 0.00 C ATOM 158 C GLN A 34 2.682 0.810 9.374 1.00 0.00 C ATOM 159 O GLN A 34 2.187 -0.249 8.974 1.00 0.00 O ATOM 160 CB GLN A 34 3.317 0.188 11.712 1.00 0.00 C ATOM 161 CG GLN A 34 3.214 0.490 13.194 1.00 0.00 C ATOM 162 CD GLN A 34 3.693 -0.653 14.058 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.598 -1.398 13.689 1.00 0.00 O ATOM 164 NE2 GLN A 34 3.076 -0.809 15.213 1.00 0.00 N ATOM 0 H GLN A 34 0.694 0.430 11.265 1.00 0.00 H new ATOM 0 HA GLN A 34 3.063 2.184 10.955 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.906 -0.803 11.520 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.368 0.158 11.426 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.800 1.381 13.420 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.178 0.718 13.443 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.329 -0.169 15.483 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.346 -1.570 15.837 1.00 0.00 H new ATOM 173 N ALA A 35 3.314 1.661 8.578 1.00 0.00 N ATOM 174 CA ALA A 35 3.486 1.395 7.160 1.00 0.00 C ATOM 175 C ALA A 35 4.818 1.942 6.666 1.00 0.00 C ATOM 176 O ALA A 35 5.402 2.828 7.292 1.00 0.00 O ATOM 177 CB ALA A 35 2.335 1.991 6.362 1.00 0.00 C ATOM 0 H ALA A 35 3.717 2.544 8.893 1.00 0.00 H new ATOM 0 HA ALA A 35 3.486 0.315 7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.480 1.782 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.395 1.549 6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.304 3.069 6.518 1.00 0.00 H new ATOM 183 N ARG A 36 5.301 1.399 5.561 1.00 0.00 N ATOM 184 CA ARG A 36 6.536 1.862 4.953 1.00 0.00 C ATOM 185 C ARG A 36 6.476 1.659 3.446 1.00 0.00 C ATOM 186 O ARG A 36 5.595 0.962 2.935 1.00 0.00 O ATOM 187 CB ARG A 36 7.746 1.097 5.504 1.00 0.00 C ATOM 188 CG ARG A 36 7.888 -0.304 4.928 1.00 0.00 C ATOM 189 CD ARG A 36 9.340 -0.753 4.910 1.00 0.00 C ATOM 190 NE ARG A 36 9.828 -1.128 6.238 1.00 0.00 N ATOM 191 CZ ARG A 36 10.683 -0.400 6.949 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.113 0.764 6.481 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.122 -0.831 8.123 1.00 0.00 N ATOM 0 H ARG A 36 4.852 0.630 5.063 1.00 0.00 H new ATOM 0 HA ARG A 36 6.648 2.920 5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.653 1.663 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.661 1.029 6.589 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.297 -1.003 5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.487 -0.325 3.915 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.446 -1.602 4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.960 0.050 4.512 1.00 0.00 H new ATOM 0 HE ARG A 36 9.491 -2.002 6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.788 1.101 5.575 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.769 1.322 7.027 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.804 -1.729 8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.778 -0.265 8.661 1.00 0.00 H new ATOM 206 N LEU A 37 7.416 2.266 2.746 1.00 0.00 N ATOM 207 CA LEU A 37 7.583 2.040 1.324 1.00 0.00 C ATOM 208 C LEU A 37 8.905 1.329 1.087 1.00 0.00 C ATOM 209 O LEU A 37 9.929 1.701 1.666 1.00 0.00 O ATOM 210 CB LEU A 37 7.541 3.366 0.566 1.00 0.00 C ATOM 211 CG LEU A 37 6.227 4.137 0.701 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.332 5.500 0.042 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.081 3.342 0.096 1.00 0.00 C ATOM 0 H LEU A 37 8.082 2.927 3.146 1.00 0.00 H new ATOM 0 HA LEU A 37 6.768 1.417 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.355 3.998 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.725 3.171 -0.490 1.00 0.00 H new ATOM 0 HG LEU A 37 6.026 4.286 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.386 6.030 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.127 6.074 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.559 5.376 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.153 3.904 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.280 3.163 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.987 2.388 0.614 1.00 0.00 H new ATOM 225 N THR A 38 8.868 0.289 0.266 1.00 0.00 N ATOM 226 CA THR A 38 10.049 -0.516 -0.007 1.00 0.00 C ATOM 227 C THR A 38 11.131 0.310 -0.693 1.00 0.00 C ATOM 228 O THR A 38 10.836 1.281 -1.394 1.00 0.00 O ATOM 229 CB THR A 38 9.715 -1.733 -0.892 1.00 0.00 C ATOM 230 OG1 THR A 38 9.103 -1.301 -2.115 1.00 0.00 O ATOM 231 CG2 THR A 38 8.791 -2.699 -0.165 1.00 0.00 C ATOM 0 H THR A 38 8.028 -0.018 -0.225 1.00 0.00 H new ATOM 0 HA THR A 38 10.416 -0.868 0.957 1.00 0.00 H new ATOM 0 HB THR A 38 10.646 -2.252 -1.119 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.782 -0.901 -2.697 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.571 -3.548 -0.812 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.276 -3.052 0.745 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.863 -2.190 0.093 1.00 0.00 H new ATOM 239 N ARG A 39 12.381 -0.092 -0.492 1.00 0.00 N ATOM 240 CA ARG A 39 13.527 0.598 -1.074 1.00 0.00 C ATOM 241 C ARG A 39 13.602 0.358 -2.580 1.00 0.00 C ATOM 242 O ARG A 39 14.470 -0.359 -3.074 1.00 0.00 O ATOM 243 CB ARG A 39 14.840 0.168 -0.390 1.00 0.00 C ATOM 244 CG ARG A 39 15.007 -1.340 -0.221 1.00 0.00 C ATOM 245 CD ARG A 39 14.272 -1.851 1.009 1.00 0.00 C ATOM 246 NE ARG A 39 14.231 -3.310 1.075 1.00 0.00 N ATOM 247 CZ ARG A 39 13.330 -3.982 1.780 1.00 0.00 C ATOM 248 NH1 ARG A 39 12.395 -3.318 2.450 1.00 0.00 N ATOM 249 NH2 ARG A 39 13.357 -5.303 1.829 1.00 0.00 N ATOM 0 H ARG A 39 12.628 -0.902 0.077 1.00 0.00 H new ATOM 0 HA ARG A 39 13.392 1.666 -0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.679 0.550 -0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.893 0.638 0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.631 -1.850 -1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.067 -1.582 -0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.758 -1.464 1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.254 -1.463 1.006 1.00 0.00 H new ATOM 0 HE ARG A 39 14.930 -3.838 0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.373 -2.299 2.420 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.699 -3.827 2.994 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.076 -5.818 1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.658 -5.807 2.375 1.00 0.00 H new ATOM 262 N SER A 40 12.667 0.954 -3.300 1.00 0.00 N ATOM 263 CA SER A 40 12.629 0.845 -4.749 1.00 0.00 C ATOM 264 C SER A 40 13.544 1.884 -5.389 1.00 0.00 C ATOM 265 O SER A 40 13.990 1.721 -6.525 1.00 0.00 O ATOM 266 CB SER A 40 11.196 1.040 -5.243 1.00 0.00 C ATOM 267 OG SER A 40 10.301 0.180 -4.558 1.00 0.00 O ATOM 0 H SER A 40 11.919 1.522 -2.902 1.00 0.00 H new ATOM 0 HA SER A 40 12.979 -0.147 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.894 2.077 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.147 0.843 -6.314 1.00 0.00 H new ATOM 0 HG SER A 40 9.513 0.015 -5.117 1.00 0.00 H new ATOM 273 N ASN A 41 13.821 2.947 -4.642 1.00 0.00 N ATOM 274 CA ASN A 41 14.650 4.045 -5.124 1.00 0.00 C ATOM 275 C ASN A 41 14.879 5.040 -3.995 1.00 0.00 C ATOM 276 O ASN A 41 15.954 5.626 -3.858 1.00 0.00 O ATOM 277 CB ASN A 41 13.981 4.750 -6.311 1.00 0.00 C ATOM 278 CG ASN A 41 14.906 5.725 -7.009 1.00 0.00 C ATOM 279 OD1 ASN A 41 16.184 5.388 -7.072 1.00 0.00 O flip ATOM 280 ND2 ASN A 41 14.470 6.759 -7.516 1.00 0.00 N flip ATOM 0 H ASN A 41 13.479 3.072 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 41 15.606 3.642 -5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.640 4.002 -7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.096 5.282 -5.961 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.477 6.983 -7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.102 7.392 -8.007 1.00 0.00 H new ATOM 287 N SER A 42 13.850 5.213 -3.187 1.00 0.00 N ATOM 288 CA SER A 42 13.906 6.086 -2.033 1.00 0.00 C ATOM 289 C SER A 42 12.903 5.591 -1.003 1.00 0.00 C ATOM 290 O SER A 42 11.965 4.871 -1.344 1.00 0.00 O ATOM 291 CB SER A 42 13.590 7.528 -2.450 1.00 0.00 C ATOM 292 OG SER A 42 13.693 8.422 -1.355 1.00 0.00 O ATOM 0 H SER A 42 12.950 4.750 -3.314 1.00 0.00 H new ATOM 0 HA SER A 42 14.906 6.073 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.275 7.838 -3.239 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.583 7.575 -2.865 1.00 0.00 H new ATOM 0 HG SER A 42 13.487 9.332 -1.655 1.00 0.00 H new ATOM 298 N LYS A 43 13.097 5.974 0.250 1.00 0.00 N ATOM 299 CA LYS A 43 12.216 5.536 1.329 1.00 0.00 C ATOM 300 C LYS A 43 10.934 6.364 1.348 1.00 0.00 C ATOM 301 O LYS A 43 10.214 6.391 2.348 1.00 0.00 O ATOM 302 CB LYS A 43 12.912 5.658 2.689 1.00 0.00 C ATOM 303 CG LYS A 43 14.280 4.999 2.760 1.00 0.00 C ATOM 304 CD LYS A 43 14.876 5.144 4.149 1.00 0.00 C ATOM 305 CE LYS A 43 16.345 4.760 4.173 1.00 0.00 C ATOM 306 NZ LYS A 43 17.160 5.646 3.300 1.00 0.00 N ATOM 0 H LYS A 43 13.856 6.587 0.548 1.00 0.00 H new ATOM 0 HA LYS A 43 11.969 4.490 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.019 6.715 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.270 5.217 3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.194 3.943 2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.945 5.451 2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.764 6.174 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.324 4.516 4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.718 4.814 5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.456 3.726 3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.156 5.604 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.079 5.330 2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.816 6.624 3.380 1.00 0.00 H new ATOM 319 N CYS A 44 10.674 7.050 0.247 1.00 0.00 N ATOM 320 CA CYS A 44 9.486 7.873 0.113 1.00 0.00 C ATOM 321 C CYS A 44 8.764 7.535 -1.196 1.00 0.00 C ATOM 322 O CYS A 44 7.777 8.175 -1.571 1.00 0.00 O ATOM 323 CB CYS A 44 9.882 9.353 0.164 1.00 0.00 C ATOM 324 SG CYS A 44 8.490 10.505 0.387 1.00 0.00 S ATOM 0 H CYS A 44 11.278 7.052 -0.575 1.00 0.00 H new ATOM 0 HA CYS A 44 8.801 7.672 0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.590 9.498 0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.403 9.608 -0.759 1.00 0.00 H new ATOM 329 N GLN A 45 9.253 6.499 -1.879 1.00 0.00 N ATOM 330 CA GLN A 45 8.648 6.044 -3.123 1.00 0.00 C ATOM 331 C GLN A 45 8.937 4.561 -3.346 1.00 0.00 C ATOM 332 O GLN A 45 10.095 4.150 -3.460 1.00 0.00 O ATOM 333 CB GLN A 45 9.152 6.870 -4.317 1.00 0.00 C ATOM 334 CG GLN A 45 10.668 6.902 -4.457 1.00 0.00 C ATOM 335 CD GLN A 45 11.144 7.650 -5.689 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.352 7.626 -6.752 1.00 0.00 O flip ATOM 337 NE2 GLN A 45 12.224 8.240 -5.686 1.00 0.00 N flip ATOM 0 H GLN A 45 10.069 5.961 -1.587 1.00 0.00 H new ATOM 0 HA GLN A 45 7.570 6.184 -3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.722 6.464 -5.233 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.786 7.892 -4.218 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.098 7.367 -3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.044 5.879 -4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.805 8.235 -4.848 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.538 8.734 -6.522 1.00 0.00 H new ATOM 346 N GLY A 46 7.886 3.760 -3.398 1.00 0.00 N ATOM 347 CA GLY A 46 8.056 2.335 -3.600 1.00 0.00 C ATOM 348 C GLY A 46 6.787 1.558 -3.321 1.00 0.00 C ATOM 349 O GLY A 46 5.687 2.106 -3.420 1.00 0.00 O ATOM 0 H GLY A 46 6.918 4.069 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.373 2.151 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.852 1.971 -2.951 1.00 0.00 H new ATOM 353 N GLN A 47 6.935 0.285 -2.974 1.00 0.00 N ATOM 354 CA GLN A 47 5.789 -0.569 -2.689 1.00 0.00 C ATOM 355 C GLN A 47 5.334 -0.363 -1.254 1.00 0.00 C ATOM 356 O GLN A 47 6.161 -0.219 -0.354 1.00 0.00 O ATOM 357 CB GLN A 47 6.119 -2.052 -2.910 1.00 0.00 C ATOM 358 CG GLN A 47 6.405 -2.442 -4.357 1.00 0.00 C ATOM 359 CD GLN A 47 7.743 -1.938 -4.860 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.738 -0.796 -5.523 1.00 0.00 O flip ATOM 361 NE2 GLN A 47 8.771 -2.590 -4.678 1.00 0.00 N flip ATOM 0 H GLN A 47 7.839 -0.179 -2.883 1.00 0.00 H new ATOM 0 HA GLN A 47 4.991 -0.291 -3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.986 -2.310 -2.302 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.285 -2.652 -2.546 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.377 -3.528 -4.446 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.613 -2.049 -4.995 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.733 -3.468 -4.160 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.661 -2.252 -5.045 1.00 0.00 H new ATOM 370 N LEU A 48 4.030 -0.349 -1.045 1.00 0.00 N ATOM 371 CA LEU A 48 3.478 -0.124 0.281 1.00 0.00 C ATOM 372 C LEU A 48 3.482 -1.407 1.100 1.00 0.00 C ATOM 373 O LEU A 48 2.855 -2.400 0.724 1.00 0.00 O ATOM 374 CB LEU A 48 2.053 0.425 0.184 1.00 0.00 C ATOM 375 CG LEU A 48 1.407 0.798 1.523 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.096 2.002 2.146 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.075 1.069 1.343 1.00 0.00 C ATOM 0 H LEU A 48 3.333 -0.491 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 48 4.108 0.610 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.063 1.308 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.427 -0.318 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 48 1.526 -0.048 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.617 2.245 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.147 1.771 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.018 2.855 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.516 1.332 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.212 1.893 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.563 0.176 0.952 1.00 0.00 H new ATOM 389 N GLU A 49 4.204 -1.385 2.208 1.00 0.00 N ATOM 390 CA GLU A 49 4.165 -2.481 3.158 1.00 0.00 C ATOM 391 C GLU A 49 3.548 -2.006 4.458 1.00 0.00 C ATOM 392 O GLU A 49 3.900 -0.942 4.969 1.00 0.00 O ATOM 393 CB GLU A 49 5.554 -3.056 3.441 1.00 0.00 C ATOM 394 CG GLU A 49 6.230 -3.682 2.239 1.00 0.00 C ATOM 395 CD GLU A 49 7.494 -4.416 2.618 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.481 -3.761 3.009 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.513 -5.661 2.525 1.00 0.00 O ATOM 0 H GLU A 49 4.824 -0.619 2.471 1.00 0.00 H new ATOM 0 HA GLU A 49 3.562 -3.273 2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.191 -2.260 3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.470 -3.807 4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.541 -4.374 1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.466 -2.906 1.511 1.00 0.00 H new ATOM 404 N VAL A 50 2.623 -2.788 4.980 1.00 0.00 N ATOM 405 CA VAL A 50 1.977 -2.467 6.241 1.00 0.00 C ATOM 406 C VAL A 50 2.290 -3.539 7.274 1.00 0.00 C ATOM 407 O VAL A 50 2.494 -4.707 6.929 1.00 0.00 O ATOM 408 CB VAL A 50 0.445 -2.319 6.088 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.115 -1.185 5.128 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.189 -3.622 5.616 1.00 0.00 C ATOM 0 H VAL A 50 2.300 -3.654 4.549 1.00 0.00 H new ATOM 0 HA VAL A 50 2.370 -1.507 6.574 1.00 0.00 H new ATOM 0 HB VAL A 50 0.029 -2.080 7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.967 -1.094 5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.525 -0.251 5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.550 -1.397 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.266 -3.488 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.232 -3.902 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.014 -4.409 6.342 1.00 0.00 H new ATOM 420 N TYR A 51 2.350 -3.144 8.536 1.00 0.00 N ATOM 421 CA TYR A 51 2.682 -4.077 9.596 1.00 0.00 C ATOM 422 C TYR A 51 1.430 -4.764 10.121 1.00 0.00 C ATOM 423 O TYR A 51 0.619 -4.154 10.820 1.00 0.00 O ATOM 424 CB TYR A 51 3.408 -3.374 10.749 1.00 0.00 C ATOM 425 CG TYR A 51 3.918 -4.333 11.810 1.00 0.00 C ATOM 426 CD1 TYR A 51 5.169 -4.932 11.695 1.00 0.00 C ATOM 427 CD2 TYR A 51 3.136 -4.659 12.914 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.626 -5.821 12.653 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.585 -5.548 13.872 1.00 0.00 C ATOM 430 CZ TYR A 51 4.828 -6.128 13.737 1.00 0.00 C ATOM 431 OH TYR A 51 5.275 -7.023 14.689 1.00 0.00 O ATOM 0 H TYR A 51 2.174 -2.189 8.848 1.00 0.00 H new ATOM 0 HA TYR A 51 3.350 -4.828 9.173 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.248 -2.806 10.348 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.731 -2.657 11.213 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.793 -4.700 10.845 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.160 -4.209 13.024 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.602 -6.272 12.553 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.964 -5.787 14.723 1.00 0.00 H new ATOM 0 HH TYR A 51 4.594 -7.127 15.386 1.00 0.00 H new ATOM 441 N LEU A 52 1.270 -6.027 9.761 1.00 0.00 N ATOM 442 CA LEU A 52 0.243 -6.859 10.362 1.00 0.00 C ATOM 443 C LEU A 52 0.842 -7.523 11.595 1.00 0.00 C ATOM 444 O LEU A 52 2.043 -7.392 11.822 1.00 0.00 O ATOM 445 CB LEU A 52 -0.257 -7.919 9.371 1.00 0.00 C ATOM 446 CG LEU A 52 -0.815 -7.379 8.050 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.196 -8.524 7.125 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.020 -6.486 8.302 1.00 0.00 C ATOM 0 H LEU A 52 1.838 -6.497 9.056 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.615 -6.246 10.639 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.566 -8.598 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.033 -8.509 9.858 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.037 -6.785 7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.590 -8.122 6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.315 -9.131 6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.956 -9.141 7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.401 -6.113 7.352 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.799 -7.059 8.806 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.725 -5.645 8.930 1.00 0.00 H new ATOM 460 N LYS A 53 0.039 -8.240 12.375 1.00 0.00 N ATOM 461 CA LYS A 53 0.531 -8.836 13.622 1.00 0.00 C ATOM 462 C LYS A 53 1.776 -9.688 13.376 1.00 0.00 C ATOM 463 O LYS A 53 2.695 -9.721 14.199 1.00 0.00 O ATOM 464 CB LYS A 53 -0.552 -9.681 14.301 1.00 0.00 C ATOM 465 CG LYS A 53 -1.765 -8.879 14.745 1.00 0.00 C ATOM 466 CD LYS A 53 -2.698 -9.712 15.611 1.00 0.00 C ATOM 467 CE LYS A 53 -3.216 -10.936 14.871 1.00 0.00 C ATOM 468 NZ LYS A 53 -4.142 -11.737 15.713 1.00 0.00 N ATOM 0 H LYS A 53 -0.944 -8.424 12.173 1.00 0.00 H new ATOM 0 HA LYS A 53 0.797 -8.014 14.286 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.876 -10.462 13.613 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.120 -10.180 15.169 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.438 -8.001 15.301 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.305 -8.519 13.869 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.172 -10.028 16.512 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.540 -9.099 15.932 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.730 -10.621 13.963 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.375 -11.557 14.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.474 -12.563 15.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.644 -12.058 16.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.957 -11.151 15.987 1.00 0.00 H new ATOM 481 N ASP A 54 1.800 -10.363 12.235 1.00 0.00 N ATOM 482 CA ASP A 54 2.956 -11.155 11.830 1.00 0.00 C ATOM 483 C ASP A 54 4.152 -10.257 11.568 1.00 0.00 C ATOM 484 O ASP A 54 5.172 -10.348 12.251 1.00 0.00 O ATOM 485 CB ASP A 54 2.650 -11.956 10.565 1.00 0.00 C ATOM 486 CG ASP A 54 1.461 -12.871 10.726 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.328 -12.421 10.467 1.00 0.00 O ATOM 488 OD2 ASP A 54 1.654 -14.047 11.102 1.00 0.00 O ATOM 0 H ASP A 54 1.028 -10.378 11.569 1.00 0.00 H new ATOM 0 HA ASP A 54 3.187 -11.842 12.644 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.464 -11.268 9.741 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.524 -12.548 10.295 1.00 0.00 H new ATOM 493 N GLY A 55 4.009 -9.380 10.586 1.00 0.00 N ATOM 494 CA GLY A 55 5.098 -8.512 10.198 1.00 0.00 C ATOM 495 C GLY A 55 4.742 -7.653 9.003 1.00 0.00 C ATOM 496 O GLY A 55 3.557 -7.481 8.686 1.00 0.00 O ATOM 0 H GLY A 55 3.151 -9.255 10.048 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.367 -7.871 11.038 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.975 -9.114 9.963 1.00 0.00 H new ATOM 500 N TRP A 56 5.758 -7.138 8.325 1.00 0.00 N ATOM 501 CA TRP A 56 5.560 -6.241 7.192 1.00 0.00 C ATOM 502 C TRP A 56 5.086 -7.014 5.968 1.00 0.00 C ATOM 503 O TRP A 56 5.731 -7.967 5.530 1.00 0.00 O ATOM 504 CB TRP A 56 6.857 -5.493 6.880 1.00 0.00 C ATOM 505 CG TRP A 56 7.282 -4.561 7.975 1.00 0.00 C ATOM 506 CD1 TRP A 56 8.236 -4.788 8.928 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.760 -3.253 8.234 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.341 -3.699 9.759 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.444 -2.743 9.353 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.782 -2.464 7.626 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.179 -1.478 9.874 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.521 -1.213 8.144 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.216 -0.731 9.256 1.00 0.00 C ATOM 0 H TRP A 56 6.737 -7.327 8.542 1.00 0.00 H new ATOM 0 HA TRP A 56 4.790 -5.516 7.456 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.652 -6.217 6.700 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.728 -4.925 5.959 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.821 -5.691 9.015 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.981 -3.615 10.549 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.240 -2.827 6.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.714 -1.102 10.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.766 -0.595 7.682 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.987 0.254 9.636 1.00 0.00 H new ATOM 524 N HIS A 57 3.948 -6.605 5.428 1.00 0.00 N ATOM 525 CA HIS A 57 3.362 -7.270 4.273 1.00 0.00 C ATOM 526 C HIS A 57 3.109 -6.274 3.152 1.00 0.00 C ATOM 527 O HIS A 57 2.679 -5.147 3.397 1.00 0.00 O ATOM 528 CB HIS A 57 2.050 -7.962 4.661 1.00 0.00 C ATOM 529 CG HIS A 57 2.236 -9.239 5.421 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.616 -9.289 6.747 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.074 -10.525 5.032 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.678 -10.549 7.138 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.352 -11.318 6.117 1.00 0.00 N ATOM 0 H HIS A 57 3.409 -5.811 5.773 1.00 0.00 H new ATOM 0 HA HIS A 57 4.068 -8.022 3.921 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.454 -7.276 5.263 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.479 -8.170 3.756 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.818 -8.479 7.333 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.780 -10.864 4.050 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.949 -10.891 8.126 1.00 0.00 H new ATOM 541 N MET A 58 3.370 -6.706 1.927 1.00 0.00 N ATOM 542 CA MET A 58 3.199 -5.863 0.750 1.00 0.00 C ATOM 543 C MET A 58 1.734 -5.806 0.342 1.00 0.00 C ATOM 544 O MET A 58 1.068 -6.836 0.262 1.00 0.00 O ATOM 545 CB MET A 58 4.028 -6.405 -0.418 1.00 0.00 C ATOM 546 CG MET A 58 5.531 -6.333 -0.203 1.00 0.00 C ATOM 547 SD MET A 58 6.452 -7.195 -1.496 1.00 0.00 S ATOM 548 CE MET A 58 5.764 -6.432 -2.963 1.00 0.00 C ATOM 0 H MET A 58 3.705 -7.647 1.720 1.00 0.00 H new ATOM 0 HA MET A 58 3.540 -4.859 1.001 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.747 -7.443 -0.597 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.774 -5.846 -1.319 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.842 -5.289 -0.174 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.778 -6.766 0.766 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.345 -7.202 -3.611 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.979 -5.733 -2.675 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.549 -5.896 -3.497 1.00 0.00 H new ATOM 558 N VAL A 59 1.235 -4.611 0.075 1.00 0.00 N ATOM 559 CA VAL A 59 -0.149 -4.445 -0.347 1.00 0.00 C ATOM 560 C VAL A 59 -0.269 -4.624 -1.856 1.00 0.00 C ATOM 561 O VAL A 59 0.468 -4.005 -2.629 1.00 0.00 O ATOM 562 CB VAL A 59 -0.715 -3.062 0.055 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.172 -2.928 -0.369 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.585 -2.843 1.554 1.00 0.00 C ATOM 0 H VAL A 59 1.765 -3.742 0.142 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.734 -5.211 0.162 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.132 -2.299 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.548 -1.948 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.248 -3.037 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.765 -3.704 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.989 -1.865 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.139 -3.618 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.466 -2.889 1.839 1.00 0.00 H new ATOM 574 N CYS A 60 -1.181 -5.491 -2.270 1.00 0.00 N ATOM 575 CA CYS A 60 -1.438 -5.710 -3.683 1.00 0.00 C ATOM 576 C CYS A 60 -2.466 -4.689 -4.156 1.00 0.00 C ATOM 577 O CYS A 60 -3.418 -4.386 -3.435 1.00 0.00 O ATOM 578 CB CYS A 60 -1.945 -7.140 -3.916 1.00 0.00 C ATOM 579 SG CYS A 60 -1.631 -7.788 -5.591 1.00 0.00 S ATOM 0 H CYS A 60 -1.756 -6.055 -1.644 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.516 -5.586 -4.251 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.474 -7.802 -3.189 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.018 -7.168 -3.724 1.00 0.00 H new ATOM 584 N SER A 61 -2.275 -4.161 -5.359 1.00 0.00 N ATOM 585 CA SER A 61 -3.109 -3.073 -5.867 1.00 0.00 C ATOM 586 C SER A 61 -4.517 -3.556 -6.231 1.00 0.00 C ATOM 587 O SER A 61 -5.348 -2.773 -6.681 1.00 0.00 O ATOM 588 CB SER A 61 -2.437 -2.423 -7.082 1.00 0.00 C ATOM 589 OG SER A 61 -3.153 -1.283 -7.527 1.00 0.00 O ATOM 0 H SER A 61 -1.548 -4.468 -6.005 1.00 0.00 H new ATOM 0 HA SER A 61 -3.214 -2.334 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.418 -2.135 -6.824 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.368 -3.149 -7.892 1.00 0.00 H new ATOM 0 HG SER A 61 -4.115 -1.448 -7.445 1.00 0.00 H new ATOM 595 N GLN A 62 -4.782 -4.838 -6.020 1.00 0.00 N ATOM 596 CA GLN A 62 -6.100 -5.403 -6.290 1.00 0.00 C ATOM 597 C GLN A 62 -6.905 -5.477 -4.989 1.00 0.00 C ATOM 598 O GLN A 62 -7.641 -6.433 -4.742 1.00 0.00 O ATOM 599 CB GLN A 62 -5.956 -6.798 -6.916 1.00 0.00 C ATOM 600 CG GLN A 62 -7.242 -7.337 -7.525 1.00 0.00 C ATOM 601 CD GLN A 62 -7.734 -6.495 -8.686 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.944 -5.895 -9.415 1.00 0.00 O ATOM 603 NE2 GLN A 62 -9.044 -6.438 -8.865 1.00 0.00 N ATOM 0 H GLN A 62 -4.102 -5.508 -5.662 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.630 -4.763 -6.995 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.188 -6.761 -7.688 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.608 -7.494 -6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.078 -8.359 -7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.014 -7.377 -6.757 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.667 -6.949 -8.240 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.431 -5.883 -9.628 1.00 0.00 H new ATOM 612 N SER A 63 -6.752 -4.461 -4.151 1.00 0.00 N ATOM 613 CA SER A 63 -7.398 -4.446 -2.850 1.00 0.00 C ATOM 614 C SER A 63 -8.551 -3.444 -2.808 1.00 0.00 C ATOM 615 O SER A 63 -8.519 -2.415 -3.486 1.00 0.00 O ATOM 616 CB SER A 63 -6.377 -4.111 -1.758 1.00 0.00 C ATOM 617 OG SER A 63 -5.382 -5.115 -1.661 1.00 0.00 O ATOM 0 H SER A 63 -6.185 -3.637 -4.351 1.00 0.00 H new ATOM 0 HA SER A 63 -7.808 -5.440 -2.671 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.909 -3.151 -1.976 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.886 -4.006 -0.800 1.00 0.00 H new ATOM 0 HG SER A 63 -4.721 -4.990 -2.374 1.00 0.00 H new ATOM 623 N TRP A 64 -9.554 -3.763 -1.991 1.00 0.00 N ATOM 624 CA TRP A 64 -10.726 -2.914 -1.778 1.00 0.00 C ATOM 625 C TRP A 64 -11.465 -2.640 -3.087 1.00 0.00 C ATOM 626 O TRP A 64 -12.136 -3.519 -3.629 1.00 0.00 O ATOM 627 CB TRP A 64 -10.330 -1.592 -1.110 1.00 0.00 C ATOM 628 CG TRP A 64 -9.496 -1.765 0.127 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.905 -2.241 1.341 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.108 -1.451 0.269 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.856 -2.242 2.225 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.743 -1.761 1.591 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.137 -0.937 -0.594 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.451 -1.575 2.068 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.855 -0.751 -0.119 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.524 -1.070 1.200 1.00 0.00 C ATOM 0 H TRP A 64 -9.576 -4.629 -1.452 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.401 -3.454 -1.114 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.778 -0.984 -1.827 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.234 -1.040 -0.853 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.908 -2.569 1.571 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.899 -2.551 3.196 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.386 -0.689 -1.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.189 -1.820 3.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.096 -0.353 -0.777 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.512 -0.914 1.542 1.00 0.00 H new ATOM 647 N GLY A 65 -11.328 -1.421 -3.587 1.00 0.00 N ATOM 648 CA GLY A 65 -11.952 -1.051 -4.842 1.00 0.00 C ATOM 649 C GLY A 65 -10.924 -0.699 -5.894 1.00 0.00 C ATOM 650 O GLY A 65 -11.240 -0.070 -6.903 1.00 0.00 O ATOM 0 H GLY A 65 -10.792 -0.676 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.570 -1.875 -5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.615 -0.201 -4.682 1.00 0.00 H new ATOM 654 N ARG A 66 -9.689 -1.108 -5.654 1.00 0.00 N ATOM 655 CA ARG A 66 -8.596 -0.826 -6.562 1.00 0.00 C ATOM 656 C ARG A 66 -8.314 -2.041 -7.429 1.00 0.00 C ATOM 657 O ARG A 66 -8.578 -3.177 -7.035 1.00 0.00 O ATOM 658 CB ARG A 66 -7.341 -0.420 -5.777 1.00 0.00 C ATOM 659 CG ARG A 66 -7.409 0.986 -5.196 1.00 0.00 C ATOM 660 CD ARG A 66 -7.034 2.035 -6.234 1.00 0.00 C ATOM 661 NE ARG A 66 -7.253 3.398 -5.754 1.00 0.00 N ATOM 662 CZ ARG A 66 -6.632 4.463 -6.255 1.00 0.00 C ATOM 663 NH1 ARG A 66 -5.729 4.318 -7.217 1.00 0.00 N ATOM 664 NH2 ARG A 66 -6.920 5.673 -5.812 1.00 0.00 N ATOM 0 H ARG A 66 -9.419 -1.642 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.879 0.005 -7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.185 -1.131 -4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.474 -0.490 -6.434 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.416 1.181 -4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.737 1.061 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.986 1.913 -6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.620 1.873 -7.139 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.918 3.541 -4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.509 3.388 -7.574 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.255 5.136 -7.599 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.622 5.795 -5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.441 6.486 -6.200 1.00 0.00 H new ATOM 677 N SER A 67 -7.793 -1.790 -8.611 1.00 0.00 N ATOM 678 CA SER A 67 -7.495 -2.843 -9.556 1.00 0.00 C ATOM 679 C SER A 67 -6.124 -2.577 -10.171 1.00 0.00 C ATOM 680 O SER A 67 -5.328 -1.827 -9.605 1.00 0.00 O ATOM 681 CB SER A 67 -8.592 -2.895 -10.630 1.00 0.00 C ATOM 682 OG SER A 67 -8.391 -3.958 -11.552 1.00 0.00 O ATOM 0 H SER A 67 -7.565 -0.853 -8.943 1.00 0.00 H new ATOM 0 HA SER A 67 -7.471 -3.811 -9.056 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.563 -3.012 -10.149 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.615 -1.948 -11.169 1.00 0.00 H new ATOM 0 HG SER A 67 -7.996 -4.725 -11.086 1.00 0.00 H new ATOM 688 N SER A 68 -5.856 -3.156 -11.328 1.00 0.00 N ATOM 689 CA SER A 68 -4.592 -2.937 -12.015 1.00 0.00 C ATOM 690 C SER A 68 -4.607 -1.602 -12.772 1.00 0.00 C ATOM 691 O SER A 68 -4.076 -1.484 -13.877 1.00 0.00 O ATOM 692 CB SER A 68 -4.311 -4.106 -12.960 1.00 0.00 C ATOM 693 OG SER A 68 -4.209 -5.322 -12.234 1.00 0.00 O ATOM 0 H SER A 68 -6.497 -3.783 -11.814 1.00 0.00 H new ATOM 0 HA SER A 68 -3.791 -2.885 -11.278 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.109 -4.183 -13.699 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.386 -3.924 -13.507 1.00 0.00 H new ATOM 0 HG SER A 68 -4.031 -6.059 -12.854 1.00 0.00 H new ATOM 699 N LYS A 69 -5.198 -0.595 -12.141 1.00 0.00 N ATOM 700 CA LYS A 69 -5.293 0.741 -12.702 1.00 0.00 C ATOM 701 C LYS A 69 -5.407 1.757 -11.571 1.00 0.00 C ATOM 702 O LYS A 69 -5.927 1.444 -10.497 1.00 0.00 O ATOM 703 CB LYS A 69 -6.505 0.860 -13.630 1.00 0.00 C ATOM 704 CG LYS A 69 -7.845 0.622 -12.941 1.00 0.00 C ATOM 705 CD LYS A 69 -9.012 0.959 -13.857 1.00 0.00 C ATOM 706 CE LYS A 69 -9.022 2.433 -14.235 1.00 0.00 C ATOM 707 NZ LYS A 69 -9.143 3.313 -13.041 1.00 0.00 N ATOM 0 H LYS A 69 -5.627 -0.686 -11.220 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.395 0.938 -13.287 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.510 1.854 -14.077 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.396 0.145 -14.445 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.915 -0.420 -12.630 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.903 1.229 -12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.953 0.352 -14.760 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.949 0.704 -13.362 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.106 2.676 -14.773 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.852 2.628 -14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.856 4.048 -13.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.432 2.745 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.225 3.762 -12.846 1.00 0.00 H new ATOM 720 N GLN A 70 -4.916 2.962 -11.811 1.00 0.00 N ATOM 721 CA GLN A 70 -4.957 4.020 -10.811 1.00 0.00 C ATOM 722 C GLN A 70 -6.237 4.842 -10.963 1.00 0.00 C ATOM 723 O GLN A 70 -6.618 5.205 -12.076 1.00 0.00 O ATOM 724 CB GLN A 70 -3.729 4.923 -10.957 1.00 0.00 C ATOM 725 CG GLN A 70 -3.640 6.019 -9.907 1.00 0.00 C ATOM 726 CD GLN A 70 -2.435 6.920 -10.101 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.879 7.449 -9.136 1.00 0.00 O ATOM 728 NE2 GLN A 70 -2.025 7.107 -11.348 1.00 0.00 N ATOM 0 H GLN A 70 -4.482 3.234 -12.693 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.949 3.569 -9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.830 4.309 -10.903 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.743 5.381 -11.946 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.548 6.622 -9.939 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.593 5.565 -8.917 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.513 6.651 -12.119 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.222 7.707 -11.536 1.00 0.00 H new ATOM 737 N TRP A 71 -6.894 5.126 -9.845 1.00 0.00 N ATOM 738 CA TRP A 71 -8.127 5.908 -9.857 1.00 0.00 C ATOM 739 C TRP A 71 -7.828 7.384 -9.599 1.00 0.00 C ATOM 740 O TRP A 71 -6.689 7.760 -9.320 1.00 0.00 O ATOM 741 CB TRP A 71 -9.115 5.371 -8.813 1.00 0.00 C ATOM 742 CG TRP A 71 -9.636 4.002 -9.133 1.00 0.00 C ATOM 743 CD1 TRP A 71 -9.096 2.807 -8.750 1.00 0.00 C ATOM 744 CD2 TRP A 71 -10.802 3.683 -9.900 1.00 0.00 C ATOM 745 NE1 TRP A 71 -9.858 1.769 -9.227 1.00 0.00 N ATOM 746 CE2 TRP A 71 -10.906 2.281 -9.938 1.00 0.00 C ATOM 747 CE3 TRP A 71 -11.768 4.447 -10.560 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -11.935 1.629 -10.605 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -12.790 3.795 -11.222 1.00 0.00 C ATOM 750 CH2 TRP A 71 -12.864 2.400 -11.240 1.00 0.00 C ATOM 0 H TRP A 71 -6.594 4.827 -8.917 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.583 5.815 -10.843 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.625 5.347 -7.839 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.955 6.061 -8.730 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.200 2.695 -8.158 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -9.672 0.778 -9.075 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -11.717 5.526 -10.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.997 0.551 -10.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -13.545 4.373 -11.734 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.675 1.921 -11.769 1.00 0.00 H new ATOM 761 N GLU A 72 -8.866 8.213 -9.678 1.00 0.00 N ATOM 762 CA GLU A 72 -8.706 9.669 -9.637 1.00 0.00 C ATOM 763 C GLU A 72 -8.443 10.196 -8.226 1.00 0.00 C ATOM 764 O GLU A 72 -8.398 11.410 -8.018 1.00 0.00 O ATOM 765 CB GLU A 72 -9.946 10.363 -10.208 1.00 0.00 C ATOM 766 CG GLU A 72 -10.090 10.266 -11.723 1.00 0.00 C ATOM 767 CD GLU A 72 -10.389 8.867 -12.215 1.00 0.00 C ATOM 768 OE1 GLU A 72 -11.410 8.290 -11.792 1.00 0.00 O ATOM 769 OE2 GLU A 72 -9.623 8.348 -13.050 1.00 0.00 O ATOM 0 H GLU A 72 -9.833 7.902 -9.771 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.833 9.898 -10.247 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.833 9.932 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.919 11.416 -9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.888 10.934 -12.047 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.170 10.618 -12.190 1.00 0.00 H new ATOM 776 N ASP A 73 -8.272 9.298 -7.268 1.00 0.00 N ATOM 777 CA ASP A 73 -8.032 9.689 -5.881 1.00 0.00 C ATOM 778 C ASP A 73 -6.684 9.162 -5.375 1.00 0.00 C ATOM 779 O ASP A 73 -6.623 8.185 -4.636 1.00 0.00 O ATOM 780 CB ASP A 73 -9.177 9.193 -4.981 1.00 0.00 C ATOM 781 CG ASP A 73 -9.528 7.728 -5.199 1.00 0.00 C ATOM 782 OD1 ASP A 73 -10.165 7.414 -6.225 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.183 6.885 -4.340 1.00 0.00 O ATOM 0 H ASP A 73 -8.294 8.290 -7.423 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.998 10.778 -5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.899 9.341 -3.938 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.062 9.802 -5.164 1.00 0.00 H new ATOM 788 N PRO A 74 -5.572 9.809 -5.759 1.00 0.00 N ATOM 789 CA PRO A 74 -4.238 9.351 -5.384 1.00 0.00 C ATOM 790 C PRO A 74 -3.761 9.897 -4.034 1.00 0.00 C ATOM 791 O PRO A 74 -2.927 9.284 -3.367 1.00 0.00 O ATOM 792 CB PRO A 74 -3.375 9.885 -6.521 1.00 0.00 C ATOM 793 CG PRO A 74 -4.050 11.140 -6.963 1.00 0.00 C ATOM 794 CD PRO A 74 -5.513 11.017 -6.601 1.00 0.00 C ATOM 0 HA PRO A 74 -4.199 8.269 -5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.357 10.082 -6.185 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.307 9.165 -7.337 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.605 12.007 -6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.931 11.282 -8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.866 11.896 -6.062 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.137 10.915 -7.489 1.00 0.00 H new ATOM 802 N SER A 75 -4.306 11.034 -3.620 1.00 0.00 N ATOM 803 CA SER A 75 -3.864 11.696 -2.398 1.00 0.00 C ATOM 804 C SER A 75 -4.507 11.090 -1.149 1.00 0.00 C ATOM 805 O SER A 75 -4.423 11.658 -0.061 1.00 0.00 O ATOM 806 CB SER A 75 -4.178 13.189 -2.470 1.00 0.00 C ATOM 807 OG SER A 75 -3.627 13.766 -3.642 1.00 0.00 O ATOM 0 H SER A 75 -5.056 11.518 -4.113 1.00 0.00 H new ATOM 0 HA SER A 75 -2.787 11.548 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.258 13.339 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.778 13.692 -1.590 1.00 0.00 H new ATOM 0 HG SER A 75 -3.842 14.722 -3.668 1.00 0.00 H new ATOM 813 N GLN A 76 -5.121 9.925 -1.301 1.00 0.00 N ATOM 814 CA GLN A 76 -5.788 9.259 -0.186 1.00 0.00 C ATOM 815 C GLN A 76 -4.775 8.690 0.806 1.00 0.00 C ATOM 816 O GLN A 76 -5.118 8.375 1.944 1.00 0.00 O ATOM 817 CB GLN A 76 -6.701 8.148 -0.708 1.00 0.00 C ATOM 818 CG GLN A 76 -7.880 8.666 -1.512 1.00 0.00 C ATOM 819 CD GLN A 76 -8.789 9.561 -0.697 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.604 10.777 -0.640 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.784 8.964 -0.066 1.00 0.00 N ATOM 0 H GLN A 76 -5.172 9.419 -2.185 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.391 10.000 0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.117 7.469 -1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.073 7.567 0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.512 9.218 -2.376 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.454 7.822 -1.894 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.901 7.953 -0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.435 9.514 0.495 1.00 0.00 H new ATOM 830 N ALA A 77 -3.527 8.582 0.378 1.00 0.00 N ATOM 831 CA ALA A 77 -2.476 8.027 1.224 1.00 0.00 C ATOM 832 C ALA A 77 -1.635 9.135 1.846 1.00 0.00 C ATOM 833 O ALA A 77 -0.492 8.911 2.247 1.00 0.00 O ATOM 834 CB ALA A 77 -1.597 7.079 0.419 1.00 0.00 C ATOM 0 H ALA A 77 -3.215 8.870 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.947 7.467 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.817 6.672 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.205 6.264 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.139 7.621 -0.408 1.00 0.00 H new ATOM 840 N SER A 78 -2.212 10.328 1.938 1.00 0.00 N ATOM 841 CA SER A 78 -1.510 11.489 2.471 1.00 0.00 C ATOM 842 C SER A 78 -0.972 11.231 3.877 1.00 0.00 C ATOM 843 O SER A 78 0.196 11.508 4.160 1.00 0.00 O ATOM 844 CB SER A 78 -2.441 12.700 2.468 1.00 0.00 C ATOM 845 OG SER A 78 -3.710 12.372 3.010 1.00 0.00 O ATOM 0 H SER A 78 -3.171 10.517 1.648 1.00 0.00 H new ATOM 0 HA SER A 78 -0.652 11.689 1.829 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.993 13.508 3.047 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.562 13.067 1.449 1.00 0.00 H new ATOM 0 HG SER A 78 -4.304 12.068 2.292 1.00 0.00 H new ATOM 851 N LYS A 79 -1.816 10.676 4.745 1.00 0.00 N ATOM 852 CA LYS A 79 -1.430 10.411 6.129 1.00 0.00 C ATOM 853 C LYS A 79 -0.246 9.444 6.195 1.00 0.00 C ATOM 854 O LYS A 79 0.598 9.552 7.081 1.00 0.00 O ATOM 855 CB LYS A 79 -2.617 9.857 6.926 1.00 0.00 C ATOM 856 CG LYS A 79 -2.352 9.742 8.419 1.00 0.00 C ATOM 857 CD LYS A 79 -1.963 11.085 9.019 1.00 0.00 C ATOM 858 CE LYS A 79 -1.703 10.985 10.514 1.00 0.00 C ATOM 859 NZ LYS A 79 -2.944 10.698 11.282 1.00 0.00 N ATOM 0 H LYS A 79 -2.771 10.401 4.514 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.122 11.356 6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.482 10.502 6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.878 8.873 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.243 9.362 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.555 9.019 8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.070 11.461 8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.758 11.808 8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.971 10.199 10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.266 11.919 10.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.774 10.871 12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.710 11.318 10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.217 9.704 11.142 1.00 0.00 H new ATOM 872 N VAL A 80 -0.176 8.522 5.241 1.00 0.00 N ATOM 873 CA VAL A 80 0.932 7.576 5.175 1.00 0.00 C ATOM 874 C VAL A 80 2.239 8.310 4.890 1.00 0.00 C ATOM 875 O VAL A 80 3.240 8.106 5.577 1.00 0.00 O ATOM 876 CB VAL A 80 0.699 6.495 4.094 1.00 0.00 C ATOM 877 CG1 VAL A 80 1.930 5.611 3.938 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.520 5.650 4.439 1.00 0.00 C ATOM 0 H VAL A 80 -0.872 8.410 4.504 1.00 0.00 H new ATOM 0 HA VAL A 80 0.994 7.080 6.144 1.00 0.00 H new ATOM 0 HB VAL A 80 0.517 6.998 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.743 4.858 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.783 6.223 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.147 5.118 4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.669 4.894 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.363 5.161 5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.401 6.289 4.496 1.00 0.00 H new ATOM 888 N CYS A 81 2.215 9.188 3.894 1.00 0.00 N ATOM 889 CA CYS A 81 3.393 9.971 3.540 1.00 0.00 C ATOM 890 C CYS A 81 3.793 10.888 4.694 1.00 0.00 C ATOM 891 O CYS A 81 4.979 11.030 4.999 1.00 0.00 O ATOM 892 CB CYS A 81 3.130 10.791 2.276 1.00 0.00 C ATOM 893 SG CYS A 81 2.542 9.807 0.861 1.00 0.00 S ATOM 0 H CYS A 81 1.394 9.375 3.318 1.00 0.00 H new ATOM 0 HA CYS A 81 4.216 9.284 3.343 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.392 11.560 2.502 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.048 11.305 1.991 1.00 0.00 H new ATOM 898 N GLN A 82 2.802 11.487 5.350 1.00 0.00 N ATOM 899 CA GLN A 82 3.052 12.337 6.512 1.00 0.00 C ATOM 900 C GLN A 82 3.676 11.519 7.642 1.00 0.00 C ATOM 901 O GLN A 82 4.570 11.989 8.346 1.00 0.00 O ATOM 902 CB GLN A 82 1.749 12.984 6.998 1.00 0.00 C ATOM 903 CG GLN A 82 1.098 13.903 5.975 1.00 0.00 C ATOM 904 CD GLN A 82 1.928 15.135 5.676 1.00 0.00 C ATOM 905 OE1 GLN A 82 2.784 15.120 4.800 1.00 0.00 O ATOM 906 NE2 GLN A 82 1.662 16.217 6.388 1.00 0.00 N ATOM 0 H GLN A 82 1.818 11.400 5.097 1.00 0.00 H new ATOM 0 HA GLN A 82 3.745 13.124 6.216 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.043 12.198 7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.954 13.553 7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.932 13.350 5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.119 14.211 6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.941 16.189 7.109 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.178 17.080 6.216 1.00 0.00 H new ATOM 915 N ARG A 83 3.206 10.285 7.791 1.00 0.00 N ATOM 916 CA ARG A 83 3.722 9.372 8.806 1.00 0.00 C ATOM 917 C ARG A 83 5.194 9.057 8.548 1.00 0.00 C ATOM 918 O ARG A 83 5.965 8.827 9.478 1.00 0.00 O ATOM 919 CB ARG A 83 2.896 8.080 8.807 1.00 0.00 C ATOM 920 CG ARG A 83 2.400 7.650 10.181 1.00 0.00 C ATOM 921 CD ARG A 83 3.526 7.154 11.073 1.00 0.00 C ATOM 922 NE ARG A 83 3.033 6.714 12.375 1.00 0.00 N ATOM 923 CZ ARG A 83 3.741 5.985 13.227 1.00 0.00 C ATOM 924 NH1 ARG A 83 4.952 5.561 12.892 1.00 0.00 N ATOM 925 NH2 ARG A 83 3.235 5.658 14.402 1.00 0.00 N ATOM 0 H ARG A 83 2.461 9.891 7.216 1.00 0.00 H new ATOM 0 HA ARG A 83 3.641 9.850 9.782 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.037 8.212 8.149 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.500 7.277 8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.901 8.490 10.664 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.657 6.861 10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.042 6.329 10.582 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.258 7.950 11.211 1.00 0.00 H new ATOM 0 HE ARG A 83 2.087 6.984 12.645 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.340 5.796 11.978 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.496 5.000 13.548 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.297 5.966 14.657 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.782 5.097 15.055 1.00 0.00 H new ATOM 938 N LEU A 84 5.577 9.067 7.277 1.00 0.00 N ATOM 939 CA LEU A 84 6.955 8.794 6.883 1.00 0.00 C ATOM 940 C LEU A 84 7.786 10.074 6.838 1.00 0.00 C ATOM 941 O LEU A 84 8.941 10.056 6.412 1.00 0.00 O ATOM 942 CB LEU A 84 6.984 8.111 5.515 1.00 0.00 C ATOM 943 CG LEU A 84 6.244 6.776 5.442 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.268 6.233 4.025 1.00 0.00 C ATOM 945 CD2 LEU A 84 6.852 5.772 6.409 1.00 0.00 C ATOM 0 H LEU A 84 4.949 9.262 6.497 1.00 0.00 H new ATOM 0 HA LEU A 84 7.391 8.132 7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.553 8.789 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.023 7.949 5.229 1.00 0.00 H new ATOM 0 HG LEU A 84 5.206 6.942 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.737 5.282 3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.784 6.943 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.301 6.083 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.311 4.828 6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.899 5.609 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.783 6.158 7.426 1.00 0.00 H new ATOM 957 N ASN A 85 7.191 11.178 7.290 1.00 0.00 N ATOM 958 CA ASN A 85 7.839 12.494 7.276 1.00 0.00 C ATOM 959 C ASN A 85 8.106 12.974 5.852 1.00 0.00 C ATOM 960 O ASN A 85 9.100 13.653 5.583 1.00 0.00 O ATOM 961 CB ASN A 85 9.137 12.507 8.094 1.00 0.00 C ATOM 962 CG ASN A 85 8.886 12.514 9.593 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.651 13.566 10.187 1.00 0.00 O ATOM 964 ND2 ASN A 85 8.958 11.348 10.219 1.00 0.00 N ATOM 0 H ASN A 85 6.247 11.188 7.676 1.00 0.00 H new ATOM 0 HA ASN A 85 7.141 13.186 7.747 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.734 11.633 7.834 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.723 13.385 7.824 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.816 11.301 11.228 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.155 10.497 9.692 1.00 0.00 H new ATOM 971 N CYS A 86 7.213 12.621 4.943 1.00 0.00 N ATOM 972 CA CYS A 86 7.262 13.126 3.581 1.00 0.00 C ATOM 973 C CYS A 86 6.203 14.203 3.407 1.00 0.00 C ATOM 974 O CYS A 86 5.601 14.645 4.388 1.00 0.00 O ATOM 975 CB CYS A 86 7.030 11.995 2.567 1.00 0.00 C ATOM 976 SG CYS A 86 8.419 10.829 2.391 1.00 0.00 S ATOM 0 H CYS A 86 6.440 11.982 5.126 1.00 0.00 H new ATOM 0 HA CYS A 86 8.251 13.547 3.398 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.141 11.437 2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.819 12.437 1.593 1.00 0.00 H new ATOM 981 N GLY A 87 5.993 14.637 2.176 1.00 0.00 N ATOM 982 CA GLY A 87 4.918 15.556 1.891 1.00 0.00 C ATOM 983 C GLY A 87 3.651 14.824 1.504 1.00 0.00 C ATOM 984 O GLY A 87 3.370 13.745 2.022 1.00 0.00 O ATOM 0 H GLY A 87 6.552 14.367 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.728 16.178 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.214 16.225 1.083 1.00 0.00 H new ATOM 988 N ASP A 88 2.892 15.394 0.587 1.00 0.00 N ATOM 989 CA ASP A 88 1.671 14.760 0.113 1.00 0.00 C ATOM 990 C ASP A 88 1.975 13.821 -1.056 1.00 0.00 C ATOM 991 O ASP A 88 2.984 13.981 -1.750 1.00 0.00 O ATOM 992 CB ASP A 88 0.627 15.816 -0.279 1.00 0.00 C ATOM 993 CG ASP A 88 1.131 16.820 -1.292 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.930 17.701 -0.914 1.00 0.00 O ATOM 995 OD2 ASP A 88 0.706 16.752 -2.464 1.00 0.00 O ATOM 0 H ASP A 88 3.097 16.295 0.154 1.00 0.00 H new ATOM 0 HA ASP A 88 1.252 14.164 0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.251 15.313 -0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.305 16.347 0.617 1.00 0.00 H new ATOM 1000 N PRO A 89 1.125 12.801 -1.258 1.00 0.00 N ATOM 1001 CA PRO A 89 1.344 11.767 -2.270 1.00 0.00 C ATOM 1002 C PRO A 89 1.015 12.228 -3.688 1.00 0.00 C ATOM 1003 O PRO A 89 -0.012 12.859 -3.931 1.00 0.00 O ATOM 1004 CB PRO A 89 0.394 10.652 -1.837 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.715 11.343 -1.129 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.117 12.572 -0.496 1.00 0.00 C ATOM 0 HA PRO A 89 2.392 11.471 -2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.025 10.092 -2.696 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.895 9.938 -1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.511 11.612 -1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.157 10.694 -0.374 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.791 13.425 -0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.088 12.415 0.563 1.00 0.00 H new ATOM 1014 N LEU A 90 1.902 11.893 -4.616 1.00 0.00 N ATOM 1015 CA LEU A 90 1.741 12.260 -6.016 1.00 0.00 C ATOM 1016 C LEU A 90 0.940 11.204 -6.772 1.00 0.00 C ATOM 1017 O LEU A 90 0.041 11.527 -7.548 1.00 0.00 O ATOM 1018 CB LEU A 90 3.114 12.429 -6.669 1.00 0.00 C ATOM 1019 CG LEU A 90 3.956 13.588 -6.131 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.369 13.521 -6.689 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.313 14.925 -6.473 1.00 0.00 C ATOM 0 H LEU A 90 2.750 11.361 -4.420 1.00 0.00 H new ATOM 0 HA LEU A 90 1.195 13.202 -6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.675 11.504 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.973 12.571 -7.741 1.00 0.00 H new ATOM 0 HG LEU A 90 4.006 13.500 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.955 14.352 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.832 12.579 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.334 13.583 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.928 15.735 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.231 15.023 -7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.319 14.975 -6.027 1.00 0.00 H new ATOM 1033 N SER A 91 1.268 9.941 -6.535 1.00 0.00 N ATOM 1034 CA SER A 91 0.638 8.840 -7.244 1.00 0.00 C ATOM 1035 C SER A 91 0.482 7.634 -6.324 1.00 0.00 C ATOM 1036 O SER A 91 1.292 7.429 -5.413 1.00 0.00 O ATOM 1037 CB SER A 91 1.469 8.471 -8.480 1.00 0.00 C ATOM 1038 OG SER A 91 0.856 7.435 -9.229 1.00 0.00 O ATOM 0 H SER A 91 1.971 9.655 -5.853 1.00 0.00 H new ATOM 0 HA SER A 91 -0.355 9.151 -7.569 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.595 9.351 -9.110 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.465 8.156 -8.169 1.00 0.00 H new ATOM 0 HG SER A 91 -0.117 7.551 -9.212 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.562 6.850 -6.569 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.851 5.666 -5.772 1.00 0.00 C ATOM 1046 C LEU A 92 -1.628 4.651 -6.605 1.00 0.00 C ATOM 1047 O LEU A 92 -2.806 4.855 -6.913 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.657 6.035 -4.525 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.034 4.855 -3.625 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -0.792 4.158 -3.088 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.911 5.328 -2.479 1.00 0.00 C ATOM 0 H LEU A 92 -1.229 7.017 -7.323 1.00 0.00 H new ATOM 0 HA LEU A 92 0.096 5.226 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.082 6.751 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.571 6.540 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.593 4.136 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.089 3.324 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.196 3.785 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.201 4.865 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.172 4.480 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.371 6.068 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.821 5.777 -2.878 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.971 3.563 -6.964 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.608 2.550 -7.785 1.00 0.00 C ATOM 1065 C GLY A 93 -0.668 1.409 -8.120 1.00 0.00 C ATOM 1066 O GLY A 93 0.286 1.162 -7.383 1.00 0.00 O ATOM 0 H GLY A 93 -0.006 3.359 -6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.481 2.158 -7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.967 3.006 -8.708 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.907 0.693 -9.228 1.00 0.00 N ATOM 1071 CA PRO A 94 -0.051 -0.413 -9.670 1.00 0.00 C ATOM 1072 C PRO A 94 1.263 0.091 -10.264 1.00 0.00 C ATOM 1073 O PRO A 94 1.515 -0.055 -11.463 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.888 -1.122 -10.748 1.00 0.00 C ATOM 1075 CG PRO A 94 -2.239 -0.489 -10.693 1.00 0.00 C ATOM 1076 CD PRO A 94 -2.037 0.888 -10.137 1.00 0.00 C ATOM 0 HA PRO A 94 0.230 -1.066 -8.844 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.439 -1.002 -11.734 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.949 -2.193 -10.554 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.688 -0.445 -11.685 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.914 -1.068 -10.062 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.810 1.613 -10.919 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.922 1.250 -9.614 1.00 0.00 H new ATOM 1084 N PHE A 95 2.089 0.674 -9.410 1.00 0.00 N ATOM 1085 CA PHE A 95 3.315 1.337 -9.839 1.00 0.00 C ATOM 1086 C PHE A 95 4.377 0.337 -10.287 1.00 0.00 C ATOM 1087 O PHE A 95 5.068 0.562 -11.277 1.00 0.00 O ATOM 1088 CB PHE A 95 3.858 2.210 -8.702 1.00 0.00 C ATOM 1089 CG PHE A 95 5.178 2.864 -9.008 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.247 3.951 -9.863 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.351 2.387 -8.438 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.459 4.549 -10.144 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.566 2.983 -8.717 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.620 4.064 -9.571 1.00 0.00 C ATOM 0 H PHE A 95 1.931 0.702 -8.403 1.00 0.00 H new ATOM 0 HA PHE A 95 3.073 1.962 -10.698 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.126 2.984 -8.471 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.967 1.597 -7.807 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.344 4.335 -10.314 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.313 1.540 -7.769 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.500 5.397 -10.812 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.471 2.603 -8.267 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.568 4.531 -9.792 1.00 0.00 H new ATOM 1104 N LEU A 96 4.505 -0.764 -9.565 1.00 0.00 N ATOM 1105 CA LEU A 96 5.558 -1.728 -9.855 1.00 0.00 C ATOM 1106 C LEU A 96 5.075 -3.149 -9.590 1.00 0.00 C ATOM 1107 O LEU A 96 3.988 -3.354 -9.051 1.00 0.00 O ATOM 1108 CB LEU A 96 6.800 -1.413 -9.012 1.00 0.00 C ATOM 1109 CG LEU A 96 8.081 -2.145 -9.432 1.00 0.00 C ATOM 1110 CD1 LEU A 96 8.439 -1.818 -10.875 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.235 -1.784 -8.507 1.00 0.00 C ATOM 0 H LEU A 96 3.901 -1.013 -8.782 1.00 0.00 H new ATOM 0 HA LEU A 96 5.821 -1.653 -10.910 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.984 -0.340 -9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.585 -1.659 -7.972 1.00 0.00 H new ATOM 0 HG LEU A 96 7.899 -3.217 -9.355 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.350 -2.347 -11.153 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.625 -2.128 -11.531 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.598 -0.744 -10.976 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.134 -2.314 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.413 -0.710 -8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.985 -2.070 -7.485 1.00 0.00 H new ATOM 1123 N LYS A 97 5.879 -4.126 -9.979 1.00 0.00 N ATOM 1124 CA LYS A 97 5.541 -5.524 -9.778 1.00 0.00 C ATOM 1125 C LYS A 97 6.731 -6.265 -9.188 1.00 0.00 C ATOM 1126 O LYS A 97 7.660 -6.629 -9.907 1.00 0.00 O ATOM 1127 CB LYS A 97 5.135 -6.187 -11.102 1.00 0.00 C ATOM 1128 CG LYS A 97 4.034 -5.455 -11.862 1.00 0.00 C ATOM 1129 CD LYS A 97 3.663 -6.180 -13.148 1.00 0.00 C ATOM 1130 CE LYS A 97 4.876 -6.400 -14.039 1.00 0.00 C ATOM 1131 NZ LYS A 97 4.510 -7.077 -15.312 1.00 0.00 N ATOM 0 H LYS A 97 6.776 -3.973 -10.439 1.00 0.00 H new ATOM 0 HA LYS A 97 4.697 -5.573 -9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.014 -6.260 -11.742 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.803 -7.205 -10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.152 -5.364 -11.228 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.364 -4.443 -12.096 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.210 -7.141 -12.906 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.914 -5.602 -13.689 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.344 -5.441 -14.259 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.614 -7.000 -13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.363 -7.209 -15.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.086 -8.003 -15.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.825 -6.492 -15.832 1.00 0.00 H new ATOM 1144 N THR A 98 6.713 -6.468 -7.881 1.00 0.00 N ATOM 1145 CA THR A 98 7.764 -7.230 -7.228 1.00 0.00 C ATOM 1146 C THR A 98 7.537 -8.727 -7.451 1.00 0.00 C ATOM 1147 O THR A 98 8.450 -9.542 -7.320 1.00 0.00 O ATOM 1148 CB THR A 98 7.820 -6.912 -5.723 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.782 -5.492 -5.530 1.00 0.00 O ATOM 1150 CG2 THR A 98 9.083 -7.470 -5.084 1.00 0.00 C ATOM 0 H THR A 98 5.987 -6.118 -7.255 1.00 0.00 H new ATOM 0 HA THR A 98 8.721 -6.947 -7.666 1.00 0.00 H new ATOM 0 HB THR A 98 6.958 -7.381 -5.248 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.646 -5.186 -5.183 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.091 -7.228 -4.021 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.107 -8.552 -5.209 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.958 -7.030 -5.563 1.00 0.00 H new ATOM 1158 N TYR A 99 6.290 -9.053 -7.811 1.00 0.00 N ATOM 1159 CA TYR A 99 5.897 -10.403 -8.232 1.00 0.00 C ATOM 1160 C TYR A 99 6.123 -11.441 -7.135 1.00 0.00 C ATOM 1161 O TYR A 99 6.444 -12.594 -7.419 1.00 0.00 O ATOM 1162 CB TYR A 99 6.665 -10.793 -9.499 1.00 0.00 C ATOM 1163 CG TYR A 99 5.780 -11.256 -10.639 1.00 0.00 C ATOM 1164 CD1 TYR A 99 4.989 -10.352 -11.343 1.00 0.00 C ATOM 1165 CD2 TYR A 99 5.739 -12.594 -11.018 1.00 0.00 C ATOM 1166 CE1 TYR A 99 4.183 -10.768 -12.384 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.934 -13.016 -12.060 1.00 0.00 C ATOM 1168 CZ TYR A 99 4.161 -12.099 -12.740 1.00 0.00 C ATOM 1169 OH TYR A 99 3.359 -12.519 -13.779 1.00 0.00 O ATOM 0 H TYR A 99 5.521 -8.383 -7.818 1.00 0.00 H new ATOM 0 HA TYR A 99 4.827 -10.386 -8.440 1.00 0.00 H new ATOM 0 HB2 TYR A 99 7.252 -9.938 -9.833 1.00 0.00 H new ATOM 0 HB3 TYR A 99 7.370 -11.588 -9.254 1.00 0.00 H new ATOM 0 HD1 TYR A 99 5.006 -9.307 -11.070 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.346 -13.315 -10.490 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.573 -10.054 -12.917 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.911 -14.059 -12.340 1.00 0.00 H new ATOM 0 HH TYR A 99 3.461 -13.486 -13.901 1.00 0.00 H new ATOM 1179 N THR A 100 5.934 -11.034 -5.889 1.00 0.00 N ATOM 1180 CA THR A 100 6.133 -11.925 -4.755 1.00 0.00 C ATOM 1181 C THR A 100 4.794 -12.384 -4.174 1.00 0.00 C ATOM 1182 O THR A 100 4.165 -11.655 -3.408 1.00 0.00 O ATOM 1183 CB THR A 100 6.939 -11.223 -3.646 1.00 0.00 C ATOM 1184 OG1 THR A 100 8.003 -10.458 -4.224 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.510 -12.240 -2.670 1.00 0.00 C ATOM 0 H THR A 100 5.642 -10.090 -5.637 1.00 0.00 H new ATOM 0 HA THR A 100 6.685 -12.792 -5.117 1.00 0.00 H new ATOM 0 HB THR A 100 6.268 -10.557 -3.103 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.510 -10.013 -3.513 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.076 -11.723 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.696 -12.801 -2.212 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.168 -12.926 -3.203 1.00 0.00 H new ATOM 1193 N PRO A 101 4.344 -13.600 -4.519 1.00 0.00 N ATOM 1194 CA PRO A 101 3.068 -14.137 -4.050 1.00 0.00 C ATOM 1195 C PRO A 101 3.193 -14.859 -2.706 1.00 0.00 C ATOM 1196 O PRO A 101 2.821 -16.027 -2.570 1.00 0.00 O ATOM 1197 CB PRO A 101 2.700 -15.115 -5.160 1.00 0.00 C ATOM 1198 CG PRO A 101 4.012 -15.636 -5.655 1.00 0.00 C ATOM 1199 CD PRO A 101 5.041 -14.557 -5.400 1.00 0.00 C ATOM 0 HA PRO A 101 2.325 -13.360 -3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.070 -15.921 -4.785 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.144 -14.620 -5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.282 -16.556 -5.137 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.957 -15.873 -6.718 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.934 -14.962 -4.923 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.362 -14.084 -6.328 1.00 0.00 H new ATOM 1207 N GLN A 102 3.723 -14.160 -1.716 1.00 0.00 N ATOM 1208 CA GLN A 102 3.890 -14.732 -0.389 1.00 0.00 C ATOM 1209 C GLN A 102 3.500 -13.724 0.685 1.00 0.00 C ATOM 1210 O GLN A 102 2.448 -13.849 1.306 1.00 0.00 O ATOM 1211 CB GLN A 102 5.331 -15.198 -0.174 1.00 0.00 C ATOM 1212 CG GLN A 102 5.555 -15.889 1.166 1.00 0.00 C ATOM 1213 CD GLN A 102 5.104 -17.344 1.183 1.00 0.00 C ATOM 1214 OE1 GLN A 102 4.135 -17.698 0.349 1.00 0.00 O flip ATOM 1215 NE2 GLN A 102 5.637 -18.152 1.941 1.00 0.00 N flip ATOM 0 H GLN A 102 4.045 -13.196 -1.805 1.00 0.00 H new ATOM 0 HA GLN A 102 3.231 -15.597 -0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.606 -15.882 -0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.997 -14.338 -0.246 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.615 -15.843 1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.019 -15.342 1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.380 -17.848 2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.336 -19.127 1.940 1.00 0.00 H new ATOM 1224 N SER A 103 4.344 -12.719 0.888 1.00 0.00 N ATOM 1225 CA SER A 103 4.096 -11.717 1.915 1.00 0.00 C ATOM 1226 C SER A 103 3.247 -10.570 1.363 1.00 0.00 C ATOM 1227 O SER A 103 3.108 -9.523 1.995 1.00 0.00 O ATOM 1228 CB SER A 103 5.427 -11.191 2.465 1.00 0.00 C ATOM 1229 OG SER A 103 5.242 -10.420 3.643 1.00 0.00 O ATOM 0 H SER A 103 5.203 -12.577 0.356 1.00 0.00 H new ATOM 0 HA SER A 103 3.540 -12.182 2.729 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.089 -12.030 2.680 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.919 -10.583 1.706 1.00 0.00 H new ATOM 0 HG SER A 103 6.111 -10.103 3.966 1.00 0.00 H new ATOM 1235 N SER A 104 2.679 -10.767 0.185 1.00 0.00 N ATOM 1236 CA SER A 104 1.783 -9.784 -0.392 1.00 0.00 C ATOM 1237 C SER A 104 0.351 -10.088 0.031 1.00 0.00 C ATOM 1238 O SER A 104 -0.033 -11.253 0.158 1.00 0.00 O ATOM 1239 CB SER A 104 1.911 -9.775 -1.918 1.00 0.00 C ATOM 1240 OG SER A 104 1.788 -11.085 -2.445 1.00 0.00 O ATOM 0 H SER A 104 2.823 -11.598 -0.388 1.00 0.00 H new ATOM 0 HA SER A 104 2.054 -8.793 -0.027 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.142 -9.133 -2.347 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.875 -9.353 -2.203 1.00 0.00 H new ATOM 0 HG SER A 104 2.517 -11.253 -3.078 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.431 -9.050 0.275 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.791 -9.228 0.744 1.00 0.00 C ATOM 1248 C ILE A 105 -2.793 -8.509 -0.151 1.00 0.00 C ATOM 1249 O ILE A 105 -2.544 -7.405 -0.642 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.979 -8.734 2.200 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.528 -7.275 2.334 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.236 -9.636 3.179 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.739 -6.683 3.712 1.00 0.00 C ATOM 0 H ILE A 105 -0.146 -8.078 0.156 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.978 -10.301 0.710 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.040 -8.782 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.470 -7.209 2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.068 -6.671 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.383 -9.269 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.621 -10.653 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.172 -9.632 2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.394 -5.649 3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.799 -6.714 3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.176 -7.260 4.446 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.918 -9.164 -0.368 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.058 -8.557 -1.021 1.00 0.00 C ATOM 1267 C ILE A 106 -6.124 -8.309 0.030 1.00 0.00 C ATOM 1268 O ILE A 106 -6.630 -9.248 0.647 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.631 -9.449 -2.147 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.621 -9.576 -3.292 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -6.956 -8.888 -2.653 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.129 -10.383 -4.471 1.00 0.00 C ATOM 0 H ILE A 106 -4.065 -10.136 -0.095 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.739 -7.625 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.817 -10.444 -1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.350 -8.578 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.711 -10.040 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.344 -9.529 -3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.673 -8.851 -1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.800 -7.883 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.358 -10.428 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.373 -11.393 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.022 -9.909 -4.879 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.441 -7.056 0.267 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.357 -6.716 1.336 1.00 0.00 C ATOM 1286 C CYS A 107 -8.713 -6.325 0.768 1.00 0.00 C ATOM 1287 O CYS A 107 -8.804 -5.813 -0.347 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.776 -5.592 2.197 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.473 -5.518 3.878 1.00 0.00 S ATOM 0 H CYS A 107 -6.082 -6.260 -0.260 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.497 -7.591 1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.696 -5.722 2.267 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -6.951 -4.638 1.699 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.762 -6.590 1.525 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.117 -6.306 1.077 1.00 0.00 C ATOM 1296 C TYR A 108 -11.768 -5.279 1.992 1.00 0.00 C ATOM 1297 O TYR A 108 -11.294 -5.043 3.104 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.943 -7.595 1.032 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.417 -8.612 0.041 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.613 -8.439 -1.325 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.727 -9.741 0.466 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.136 -9.361 -2.236 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.247 -10.668 -0.440 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.454 -10.473 -1.789 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.980 -11.398 -2.696 1.00 0.00 O ATOM 0 H TYR A 108 -9.703 -7.003 2.456 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.076 -5.892 0.070 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.959 -8.042 2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.974 -7.349 0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.147 -7.570 -1.679 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.563 -9.897 1.522 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.296 -9.212 -3.294 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.713 -11.540 -0.093 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.522 -12.120 -2.218 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.847 -4.665 1.523 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.514 -3.647 2.310 1.00 0.00 C ATOM 1317 C GLY A 109 -13.398 -2.269 1.687 1.00 0.00 C ATOM 1318 O GLY A 109 -13.246 -2.139 0.473 1.00 0.00 O ATOM 0 H GLY A 109 -13.271 -4.853 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.567 -3.907 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.086 -3.627 3.312 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.468 -1.239 2.520 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.393 0.136 2.047 1.00 0.00 C ATOM 1324 C GLN A 110 -11.930 0.574 1.942 1.00 0.00 C ATOM 1325 O GLN A 110 -11.113 0.248 2.806 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.178 1.045 3.003 1.00 0.00 C ATOM 1327 CG GLN A 110 -14.657 2.355 2.382 1.00 0.00 C ATOM 1328 CD GLN A 110 -13.563 3.396 2.248 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -12.653 3.430 3.209 1.00 0.00 O flip ATOM 1330 NE2 GLN A 110 -13.552 4.182 1.300 1.00 0.00 N flip ATOM 0 H GLN A 110 -13.577 -1.331 3.530 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.837 0.211 1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -15.043 0.497 3.376 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.550 1.274 3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.075 2.149 1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.463 2.763 2.991 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.272 4.122 0.580 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.823 4.893 1.235 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.616 1.306 0.871 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.251 1.757 0.583 1.00 0.00 C ATOM 1341 C LEU A 111 -9.625 2.483 1.772 1.00 0.00 C ATOM 1342 O LEU A 111 -10.032 3.588 2.128 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.261 2.676 -0.645 1.00 0.00 C ATOM 1344 CG LEU A 111 -8.925 3.348 -0.993 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -7.887 2.324 -1.425 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.127 4.390 -2.080 1.00 0.00 C ATOM 0 H LEU A 111 -12.302 1.604 0.177 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.644 0.874 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.588 2.094 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.006 3.455 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.553 3.842 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.953 2.832 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.717 1.614 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.246 1.791 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.172 4.859 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.528 3.911 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.827 5.149 -1.731 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.625 1.852 2.371 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.945 2.444 3.503 1.00 0.00 C ATOM 1360 C GLY A 112 -8.137 1.639 4.771 1.00 0.00 C ATOM 1361 O GLY A 112 -7.425 1.838 5.758 1.00 0.00 O ATOM 0 H GLY A 112 -8.272 0.937 2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.880 2.524 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.316 3.457 3.658 1.00 0.00 H new ATOM 1365 N SER A 113 -9.098 0.723 4.744 1.00 0.00 N ATOM 1366 CA SER A 113 -9.398 -0.107 5.897 1.00 0.00 C ATOM 1367 C SER A 113 -8.725 -1.472 5.758 1.00 0.00 C ATOM 1368 O SER A 113 -9.181 -2.334 5.003 1.00 0.00 O ATOM 1369 CB SER A 113 -10.916 -0.271 6.042 1.00 0.00 C ATOM 1370 OG SER A 113 -11.269 -0.766 7.325 1.00 0.00 O ATOM 0 H SER A 113 -9.684 0.538 3.930 1.00 0.00 H new ATOM 0 HA SER A 113 -9.010 0.378 6.792 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.404 0.689 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.284 -0.952 5.275 1.00 0.00 H new ATOM 0 HG SER A 113 -12.243 -0.857 7.384 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.636 -1.659 6.489 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.895 -2.917 6.480 1.00 0.00 C ATOM 1378 C PHE A 114 -7.477 -3.881 7.506 1.00 0.00 C ATOM 1379 O PHE A 114 -6.772 -4.391 8.377 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.413 -2.669 6.780 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.657 -2.036 5.647 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.590 -0.657 5.518 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.007 -2.823 4.712 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.885 -0.079 4.481 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.303 -2.251 3.673 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.242 -0.878 3.556 1.00 0.00 C ATOM 0 H PHE A 114 -7.240 -0.948 7.104 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.983 -3.360 5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.333 -2.029 7.659 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.940 -3.618 7.033 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.095 -0.028 6.236 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.052 -3.899 4.797 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.836 0.996 4.393 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.800 -2.878 2.952 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.692 -0.428 2.742 1.00 0.00 H new ATOM 1396 N SER A 115 -8.772 -4.115 7.409 1.00 0.00 N ATOM 1397 CA SER A 115 -9.450 -4.990 8.345 1.00 0.00 C ATOM 1398 C SER A 115 -9.283 -6.458 7.939 1.00 0.00 C ATOM 1399 O SER A 115 -8.592 -7.220 8.617 1.00 0.00 O ATOM 1400 CB SER A 115 -10.926 -4.612 8.437 1.00 0.00 C ATOM 1401 OG SER A 115 -11.079 -3.237 8.762 1.00 0.00 O ATOM 0 H SER A 115 -9.375 -3.711 6.692 1.00 0.00 H new ATOM 0 HA SER A 115 -8.998 -4.866 9.329 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.419 -4.822 7.488 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.416 -5.225 9.193 1.00 0.00 H new ATOM 0 HG SER A 115 -11.097 -2.706 7.938 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.904 -6.854 6.837 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.801 -8.229 6.362 1.00 0.00 C ATOM 1409 C ASN A 116 -8.899 -8.308 5.138 1.00 0.00 C ATOM 1410 O ASN A 116 -9.335 -8.057 4.011 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.182 -8.803 6.022 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.109 -10.257 5.596 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -10.252 -11.012 6.060 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -11.999 -10.662 4.707 1.00 0.00 N ATOM 0 H ASN A 116 -10.482 -6.247 6.256 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.366 -8.823 7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.835 -8.713 6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.632 -8.214 5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.992 -11.629 4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.693 -10.008 4.346 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.640 -8.645 5.362 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.680 -8.753 4.277 1.00 0.00 C ATOM 1423 C CYS A 117 -6.184 -10.196 4.159 1.00 0.00 C ATOM 1424 O CYS A 117 -5.835 -10.822 5.163 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.500 -7.807 4.514 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.954 -6.129 5.087 1.00 0.00 S ATOM 0 H CYS A 117 -7.259 -8.849 6.286 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.170 -8.470 3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.835 -8.258 5.250 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.934 -7.717 3.587 1.00 0.00 H new ATOM 1431 N SER A 118 -6.154 -10.722 2.943 1.00 0.00 N ATOM 1432 CA SER A 118 -5.768 -12.109 2.716 1.00 0.00 C ATOM 1433 C SER A 118 -4.441 -12.190 1.963 1.00 0.00 C ATOM 1434 O SER A 118 -4.187 -11.400 1.057 1.00 0.00 O ATOM 1435 CB SER A 118 -6.865 -12.821 1.923 1.00 0.00 C ATOM 1436 OG SER A 118 -8.125 -12.699 2.572 1.00 0.00 O ATOM 0 H SER A 118 -6.393 -10.208 2.095 1.00 0.00 H new ATOM 0 HA SER A 118 -5.640 -12.598 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.926 -12.398 0.920 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.611 -13.875 1.810 1.00 0.00 H new ATOM 0 HG SER A 118 -8.810 -13.161 2.045 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.591 -13.136 2.357 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.314 -13.351 1.671 1.00 0.00 C ATOM 1444 C HIS A 119 -2.551 -13.738 0.212 1.00 0.00 C ATOM 1445 O HIS A 119 -3.385 -14.597 -0.087 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.464 -14.418 2.384 1.00 0.00 C ATOM 1447 CG HIS A 119 -2.058 -15.799 2.400 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.638 -16.811 1.559 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -3.028 -16.341 3.178 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -2.322 -17.910 1.820 1.00 0.00 C ATOM 1451 NE2 HIS A 119 -3.170 -17.653 2.799 1.00 0.00 N ATOM 0 H HIS A 119 -3.760 -13.764 3.143 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.758 -12.414 1.699 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -0.488 -14.465 1.902 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.296 -14.099 3.413 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -3.585 -15.834 3.952 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -2.207 -18.859 1.317 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.824 -18.321 3.207 1.00 0.00 H new ATOM 1459 N SER A 120 -1.819 -13.106 -0.688 1.00 0.00 N ATOM 1460 CA SER A 120 -2.024 -13.306 -2.109 1.00 0.00 C ATOM 1461 C SER A 120 -1.203 -14.479 -2.624 1.00 0.00 C ATOM 1462 O SER A 120 0.026 -14.479 -2.554 1.00 0.00 O ATOM 1463 CB SER A 120 -1.668 -12.034 -2.884 1.00 0.00 C ATOM 1464 OG SER A 120 -1.898 -12.198 -4.276 1.00 0.00 O ATOM 0 H SER A 120 -1.075 -12.448 -0.457 1.00 0.00 H new ATOM 0 HA SER A 120 -3.078 -13.534 -2.266 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.262 -11.200 -2.511 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.621 -11.782 -2.713 1.00 0.00 H new ATOM 0 HG SER A 120 -1.664 -11.370 -4.746 1.00 0.00 H new ATOM 1470 N ARG A 121 -1.898 -15.487 -3.120 1.00 0.00 N ATOM 1471 CA ARG A 121 -1.261 -16.612 -3.783 1.00 0.00 C ATOM 1472 C ARG A 121 -1.152 -16.326 -5.282 1.00 0.00 C ATOM 1473 O ARG A 121 -0.549 -17.087 -6.040 1.00 0.00 O ATOM 1474 CB ARG A 121 -2.071 -17.886 -3.511 1.00 0.00 C ATOM 1475 CG ARG A 121 -1.544 -19.135 -4.196 1.00 0.00 C ATOM 1476 CD ARG A 121 -2.297 -20.374 -3.739 1.00 0.00 C ATOM 1477 NE ARG A 121 -3.749 -20.219 -3.850 1.00 0.00 N ATOM 1478 CZ ARG A 121 -4.595 -21.241 -3.859 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -4.131 -22.481 -3.837 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -5.904 -21.038 -3.891 1.00 0.00 N ATOM 0 H ARG A 121 -2.915 -15.550 -3.075 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.254 -16.759 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.095 -18.061 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.100 -17.720 -3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.638 -19.027 -5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.482 -19.251 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.979 -21.229 -4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.036 -20.593 -2.704 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.130 -19.276 -3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.125 -22.649 -3.813 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.779 -23.268 -3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.272 -20.087 -3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -6.543 -21.833 -3.898 1.00 0.00 H new ATOM 1493 N ASN A 122 -1.728 -15.200 -5.697 1.00 0.00 N ATOM 1494 CA ASN A 122 -1.711 -14.794 -7.098 1.00 0.00 C ATOM 1495 C ASN A 122 -0.327 -14.304 -7.494 1.00 0.00 C ATOM 1496 O ASN A 122 0.207 -13.365 -6.899 1.00 0.00 O ATOM 1497 CB ASN A 122 -2.741 -13.690 -7.359 1.00 0.00 C ATOM 1498 CG ASN A 122 -4.167 -14.143 -7.116 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.505 -15.310 -7.313 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -5.016 -13.223 -6.686 1.00 0.00 N ATOM 0 H ASN A 122 -2.214 -14.551 -5.079 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.969 -15.665 -7.701 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -2.522 -12.837 -6.717 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -2.645 -13.347 -8.389 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -5.989 -13.471 -6.506 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.697 -12.266 -6.535 1.00 0.00 H new ATOM 1507 N ASP A 123 0.244 -14.951 -8.506 1.00 0.00 N ATOM 1508 CA ASP A 123 1.594 -14.640 -8.968 1.00 0.00 C ATOM 1509 C ASP A 123 1.624 -13.287 -9.658 1.00 0.00 C ATOM 1510 O ASP A 123 2.590 -12.537 -9.545 1.00 0.00 O ATOM 1511 CB ASP A 123 2.095 -15.707 -9.951 1.00 0.00 C ATOM 1512 CG ASP A 123 1.888 -17.122 -9.452 1.00 0.00 C ATOM 1513 OD1 ASP A 123 2.692 -17.594 -8.624 1.00 0.00 O ATOM 1514 OD2 ASP A 123 0.910 -17.770 -9.891 1.00 0.00 O ATOM 0 H ASP A 123 -0.212 -15.701 -9.026 1.00 0.00 H new ATOM 0 HA ASP A 123 2.244 -14.620 -8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.579 -15.585 -10.903 1.00 0.00 H new ATOM 0 HB3 ASP A 123 3.156 -15.547 -10.141 1.00 0.00 H new ATOM 1519 N MET A 124 0.542 -12.971 -10.355 1.00 0.00 N ATOM 1520 CA MET A 124 0.461 -11.741 -11.133 1.00 0.00 C ATOM 1521 C MET A 124 -0.049 -10.589 -10.271 1.00 0.00 C ATOM 1522 O MET A 124 -0.849 -9.766 -10.715 1.00 0.00 O ATOM 1523 CB MET A 124 -0.450 -11.937 -12.350 1.00 0.00 C ATOM 1524 CG MET A 124 0.016 -13.038 -13.294 1.00 0.00 C ATOM 1525 SD MET A 124 -1.092 -13.270 -14.696 1.00 0.00 S ATOM 1526 CE MET A 124 -0.323 -14.679 -15.495 1.00 0.00 C ATOM 0 H MET A 124 -0.296 -13.551 -10.398 1.00 0.00 H new ATOM 0 HA MET A 124 1.463 -11.492 -11.482 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.457 -12.169 -12.005 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.511 -10.999 -12.902 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.014 -12.798 -13.661 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.097 -13.974 -12.742 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.892 -14.948 -16.385 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.697 -14.423 -15.781 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.306 -15.523 -14.806 1.00 0.00 H new ATOM 1536 N CYS A 125 0.426 -10.534 -9.038 1.00 0.00 N ATOM 1537 CA CYS A 125 0.029 -9.482 -8.113 1.00 0.00 C ATOM 1538 C CYS A 125 0.744 -8.179 -8.443 1.00 0.00 C ATOM 1539 O CYS A 125 1.963 -8.070 -8.302 1.00 0.00 O ATOM 1540 CB CYS A 125 0.326 -9.896 -6.665 1.00 0.00 C ATOM 1541 SG CYS A 125 0.256 -8.530 -5.452 1.00 0.00 S ATOM 0 H CYS A 125 1.089 -11.207 -8.652 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.045 -9.326 -8.218 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.387 -10.665 -6.368 1.00 0.00 H new ATOM 0 HB3 CYS A 125 1.317 -10.348 -6.626 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.016 -7.199 -8.912 1.00 0.00 N ATOM 1547 CA HIS A 126 0.525 -5.868 -9.144 1.00 0.00 C ATOM 1548 C HIS A 126 0.729 -5.174 -7.807 1.00 0.00 C ATOM 1549 O HIS A 126 -0.224 -4.974 -7.052 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.402 -5.036 -10.035 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.431 -5.474 -11.469 1.00 0.00 C ATOM 1552 ND1 HIS A 126 0.217 -4.792 -12.484 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -1.037 -6.531 -12.060 1.00 0.00 C ATOM 1554 CE1 HIS A 126 0.005 -5.409 -13.630 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.750 -6.466 -13.402 1.00 0.00 N ATOM 0 H HIS A 126 -1.005 -7.300 -9.138 1.00 0.00 H new ATOM 0 HA HIS A 126 1.479 -5.965 -9.662 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.414 -5.083 -9.632 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -0.089 -3.993 -9.992 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.634 -7.284 -11.568 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.385 -5.101 -14.593 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -1.070 -7.129 -14.108 1.00 0.00 H new ATOM 1563 N SER A 127 1.968 -4.820 -7.516 1.00 0.00 N ATOM 1564 CA SER A 127 2.317 -4.254 -6.226 1.00 0.00 C ATOM 1565 C SER A 127 1.873 -2.793 -6.135 1.00 0.00 C ATOM 1566 O SER A 127 2.074 -2.010 -7.072 1.00 0.00 O ATOM 1567 CB SER A 127 3.826 -4.371 -6.022 1.00 0.00 C ATOM 1568 OG SER A 127 4.266 -5.694 -6.307 1.00 0.00 O ATOM 0 H SER A 127 2.753 -4.915 -8.160 1.00 0.00 H new ATOM 0 HA SER A 127 1.801 -4.806 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.343 -3.662 -6.669 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.082 -4.110 -4.995 1.00 0.00 H new ATOM 0 HG SER A 127 4.821 -6.020 -5.568 1.00 0.00 H new ATOM 1574 N LEU A 128 1.261 -2.437 -5.011 1.00 0.00 N ATOM 1575 CA LEU A 128 0.784 -1.078 -4.803 1.00 0.00 C ATOM 1576 C LEU A 128 1.963 -0.139 -4.588 1.00 0.00 C ATOM 1577 O LEU A 128 2.708 -0.269 -3.616 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.168 -1.013 -3.604 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.838 0.343 -3.366 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.813 0.669 -4.488 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.553 0.350 -2.025 1.00 0.00 C ATOM 0 H LEU A 128 1.084 -3.071 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 128 0.236 -0.765 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.946 -1.764 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.387 -1.287 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.063 1.110 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.277 1.637 -4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.277 0.704 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.584 -0.100 -4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.025 1.320 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.315 -0.430 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.833 0.164 -1.228 1.00 0.00 H new ATOM 1593 N GLY A 129 2.130 0.791 -5.509 1.00 0.00 N ATOM 1594 CA GLY A 129 3.231 1.721 -5.437 1.00 0.00 C ATOM 1595 C GLY A 129 2.778 3.104 -5.039 1.00 0.00 C ATOM 1596 O GLY A 129 1.833 3.642 -5.615 1.00 0.00 O ATOM 0 H GLY A 129 1.516 0.919 -6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.965 1.359 -4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.730 1.768 -6.405 1.00 0.00 H new ATOM 1600 N LEU A 130 3.445 3.672 -4.051 1.00 0.00 N ATOM 1601 CA LEU A 130 3.119 5.001 -3.567 1.00 0.00 C ATOM 1602 C LEU A 130 4.315 5.930 -3.765 1.00 0.00 C ATOM 1603 O LEU A 130 5.451 5.570 -3.449 1.00 0.00 O ATOM 1604 CB LEU A 130 2.735 4.935 -2.086 1.00 0.00 C ATOM 1605 CG LEU A 130 2.382 6.271 -1.426 1.00 0.00 C ATOM 1606 CD1 LEU A 130 1.167 6.906 -2.090 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.133 6.071 0.063 1.00 0.00 C ATOM 0 H LEU A 130 4.224 3.228 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 130 2.272 5.393 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.883 4.264 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.563 4.488 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 130 3.226 6.949 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.939 7.853 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.380 7.083 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.312 6.236 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.883 7.028 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.307 5.374 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.031 5.668 0.531 1.00 0.00 H new ATOM 1619 N THR A 131 4.064 7.104 -4.321 1.00 0.00 N ATOM 1620 CA THR A 131 5.102 8.107 -4.498 1.00 0.00 C ATOM 1621 C THR A 131 4.736 9.378 -3.736 1.00 0.00 C ATOM 1622 O THR A 131 3.787 10.072 -4.103 1.00 0.00 O ATOM 1623 CB THR A 131 5.300 8.441 -5.992 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.578 7.240 -6.725 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.437 9.436 -6.189 1.00 0.00 C ATOM 0 H THR A 131 3.144 7.387 -4.660 1.00 0.00 H new ATOM 0 HA THR A 131 6.035 7.701 -4.106 1.00 0.00 H new ATOM 0 HB THR A 131 4.381 8.895 -6.363 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.701 7.456 -7.673 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.552 9.651 -7.251 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.210 10.358 -5.654 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.363 9.011 -5.803 1.00 0.00 H new ATOM 1633 N CYS A 132 5.471 9.671 -2.674 1.00 0.00 N ATOM 1634 CA CYS A 132 5.199 10.856 -1.866 1.00 0.00 C ATOM 1635 C CYS A 132 6.217 11.952 -2.173 1.00 0.00 C ATOM 1636 O CYS A 132 7.360 11.666 -2.543 1.00 0.00 O ATOM 1637 CB CYS A 132 5.234 10.499 -0.374 1.00 0.00 C ATOM 1638 SG CYS A 132 4.240 9.035 0.063 1.00 0.00 S ATOM 0 H CYS A 132 6.258 9.109 -2.350 1.00 0.00 H new ATOM 0 HA CYS A 132 4.204 11.227 -2.113 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.268 10.325 -0.077 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.877 11.353 0.202 1.00 0.00 H new ATOM 1643 N LEU A 133 5.787 13.206 -2.049 1.00 0.00 N ATOM 1644 CA LEU A 133 6.673 14.346 -2.258 1.00 0.00 C ATOM 1645 C LEU A 133 7.774 14.378 -1.206 1.00 0.00 C ATOM 1646 O LEU A 133 7.517 14.155 -0.021 1.00 0.00 O ATOM 1647 CB LEU A 133 5.888 15.661 -2.210 1.00 0.00 C ATOM 1648 CG LEU A 133 5.133 16.027 -3.491 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.146 17.152 -3.221 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.107 16.444 -4.584 1.00 0.00 C ATOM 0 H LEU A 133 4.829 13.457 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 133 7.125 14.235 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.172 15.606 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.581 16.469 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 133 4.584 15.148 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.617 17.401 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.428 16.833 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.684 18.030 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.553 16.700 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.679 17.310 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.788 15.620 -4.798 1.00 0.00 H new ATOM 1662 N GLU A 134 8.993 14.644 -1.647 1.00 0.00 N ATOM 1663 CA GLU A 134 10.114 14.809 -0.739 1.00 0.00 C ATOM 1664 C GLU A 134 10.354 16.295 -0.508 1.00 0.00 C ATOM 1665 O GLU A 134 10.981 16.938 -1.378 1.00 0.00 O ATOM 1666 CB GLU A 134 11.381 14.151 -1.305 1.00 0.00 C ATOM 1667 CG GLU A 134 12.562 14.174 -0.346 1.00 0.00 C ATOM 1668 CD GLU A 134 13.851 13.705 -0.990 1.00 0.00 C ATOM 1669 OE1 GLU A 134 14.546 14.541 -1.613 1.00 0.00 O ATOM 1670 OE2 GLU A 134 14.180 12.506 -0.881 1.00 0.00 O ATOM 1671 OXT GLU A 134 9.901 16.819 0.527 1.00 0.00 O ATOM 0 H GLU A 134 9.231 14.750 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 134 9.878 14.322 0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.157 13.117 -1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.663 14.659 -2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.698 15.187 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.339 13.541 0.513 1.00 0.00 H new