USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=33 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 102 GLN : amide:sc= -0.116 K(o=-0.97,f=-1.5) USER MOD Set 1.2: A 119 HIS :FLIP no HE2:sc= -0.85 F(o=-2.6!,f=-0.97) USER MOD Set 2.1: A 113 SER OG : rot 180:sc= 1.03 USER MOD Set 2.2: A 115 SER OG : rot 107:sc= 1.21 USER MOD Set 3.1: A 61 SER OG : rot -78:sc= 1.04 USER MOD Set 3.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 58 MET CE :methyl -155:sc= -1.29 (180deg=-0.288) USER MOD Set 4.2: A 98 THR OG1 : rot -160:sc= 1.56 USER MOD Set 4.3: A 127 SER OG : rot -60:sc= 1.09 USER MOD Set 5.1: A 38 THR OG1 : rot 160:sc= 2.02 USER MOD Set 5.2: A 40 SER OG : rot -90:sc= -0.52 USER MOD Set 5.3: A 47 GLN : amide:sc= -0.377! C(o=1.1!,f=-3.3!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0671 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.74! C(o=-1.7!,f=-6.8!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 42 SER OG : rot -47:sc= 0.0594 USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -3.65! (180deg=-5.86!) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 156:sc= -1.57 (180deg=-2.37!) USER MOD Single : A 57 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.4!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 63 SER OG : rot 79:sc= 1.98 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0516 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.16 F(o=-2.8!,f=-1.2) USER MOD Single : A 75 SER OG : rot -53:sc= 0.486 USER MOD Single : A 76 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.53) USER MOD Single : A 78 SER OG : rot 180:sc= 0.017 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.094 K(o=-0.094,f=-0.75) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 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 USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00106 USER MOD Single : A 103 SER OG : rot -13:sc= 1.06 USER MOD Single : A 104 SER OG : rot -81:sc= 1.24 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0.147 K(o=0.15,f=-4.9!) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -102:sc= 0.019 USER MOD Single : A 122 ASN : amide:sc= -0.415 K(o=-0.42,f=-1.2) USER MOD Single : A 124 MET CE :methyl 153:sc= -0.34 (180deg=-1.26) USER MOD Single : A 126 HIS : no HD1:sc= -0.0544 X(o=-0.054,f=-0.45) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -9.236 -1.428 10.785 1.00 0.00 N ATOM 24 CA LEU A 26 -7.905 -0.863 10.645 1.00 0.00 C ATOM 25 C LEU A 26 -7.870 0.055 9.432 1.00 0.00 C ATOM 26 O LEU A 26 -8.570 -0.184 8.450 1.00 0.00 O ATOM 27 CB LEU A 26 -6.854 -1.967 10.501 1.00 0.00 C ATOM 28 CG LEU A 26 -6.712 -2.898 11.705 1.00 0.00 C ATOM 29 CD1 LEU A 26 -5.674 -3.969 11.428 1.00 0.00 C ATOM 30 CD2 LEU A 26 -6.345 -2.116 12.959 1.00 0.00 C ATOM 0 HA LEU A 26 -7.671 -0.291 11.543 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.100 -2.568 9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.887 -1.502 10.307 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.675 -3.380 11.875 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.586 -4.623 12.295 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.979 -4.555 10.561 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.711 -3.499 11.228 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.250 -2.802 13.801 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.397 -1.601 12.802 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.124 -1.385 13.173 1.00 0.00 H new ATOM 42 N SER A 27 -7.081 1.112 9.501 1.00 0.00 N ATOM 43 CA SER A 27 -6.985 2.060 8.403 1.00 0.00 C ATOM 44 C SER A 27 -5.594 2.680 8.371 1.00 0.00 C ATOM 45 O SER A 27 -4.915 2.738 9.394 1.00 0.00 O ATOM 46 CB SER A 27 -8.040 3.160 8.566 1.00 0.00 C ATOM 47 OG SER A 27 -9.334 2.608 8.766 1.00 0.00 O ATOM 0 H SER A 27 -6.496 1.337 10.306 1.00 0.00 H new ATOM 0 HA SER A 27 -7.162 1.533 7.465 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.778 3.795 9.412 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.046 3.795 7.680 1.00 0.00 H new ATOM 0 HG SER A 27 -9.986 3.332 8.868 1.00 0.00 H new ATOM 53 N TRP A 28 -5.173 3.150 7.201 1.00 0.00 N ATOM 54 CA TRP A 28 -3.878 3.816 7.070 1.00 0.00 C ATOM 55 C TRP A 28 -3.987 5.283 7.485 1.00 0.00 C ATOM 56 O TRP A 28 -3.192 6.124 7.072 1.00 0.00 O ATOM 57 CB TRP A 28 -3.341 3.699 5.632 1.00 0.00 C ATOM 58 CG TRP A 28 -4.259 4.234 4.557 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.331 5.074 4.710 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.165 3.968 3.150 1.00 0.00 C ATOM 61 NE1 TRP A 28 -5.906 5.337 3.491 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.209 4.672 2.518 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.298 3.202 2.361 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.408 4.634 1.140 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.499 3.165 0.992 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.546 3.879 0.395 1.00 0.00 C ATOM 0 H TRP A 28 -5.705 3.084 6.333 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.172 3.319 7.735 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.390 4.229 5.572 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.135 2.649 5.422 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.674 5.472 5.654 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.720 5.931 3.336 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.487 2.650 2.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.215 5.182 0.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.838 2.576 0.374 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.675 3.832 -0.676 1.00 0.00 H new ATOM 77 N TYR A 29 -4.992 5.570 8.299 1.00 0.00 N ATOM 78 CA TYR A 29 -5.263 6.922 8.758 1.00 0.00 C ATOM 79 C TYR A 29 -4.794 7.078 10.200 1.00 0.00 C ATOM 80 O TYR A 29 -4.584 8.190 10.688 1.00 0.00 O ATOM 81 CB TYR A 29 -6.764 7.197 8.663 1.00 0.00 C ATOM 82 CG TYR A 29 -7.116 8.624 8.312 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.237 9.601 9.293 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.341 8.988 6.993 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.573 10.901 8.965 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.680 10.281 6.657 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.793 11.235 7.645 1.00 0.00 C ATOM 88 OH TYR A 29 -8.137 12.526 7.312 1.00 0.00 O ATOM 0 H TYR A 29 -5.642 4.871 8.659 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.726 7.635 8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.196 6.534 7.913 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.228 6.945 9.616 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.066 9.341 10.327 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.249 8.245 6.215 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.663 11.650 9.737 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.856 10.545 5.625 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.255 12.593 6.341 1.00 0.00 H new ATOM 98 N ASP A 30 -4.630 5.943 10.870 1.00 0.00 N ATOM 99 CA ASP A 30 -4.232 5.917 12.266 1.00 0.00 C ATOM 100 C ASP A 30 -2.720 6.029 12.379 1.00 0.00 C ATOM 101 O ASP A 30 -1.986 5.360 11.655 1.00 0.00 O ATOM 102 CB ASP A 30 -4.696 4.616 12.928 1.00 0.00 C ATOM 103 CG ASP A 30 -6.183 4.361 12.775 1.00 0.00 C ATOM 104 OD1 ASP A 30 -6.585 3.724 11.779 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.957 4.778 13.662 1.00 0.00 O ATOM 0 H ASP A 30 -4.769 5.020 10.459 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.697 6.762 12.773 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.145 3.780 12.496 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.447 4.648 13.989 1.00 0.00 H new ATOM 110 N PRO A 31 -2.237 6.872 13.301 1.00 0.00 N ATOM 111 CA PRO A 31 -0.803 7.106 13.491 1.00 0.00 C ATOM 112 C PRO A 31 -0.093 5.899 14.090 1.00 0.00 C ATOM 113 O PRO A 31 1.122 5.756 13.969 1.00 0.00 O ATOM 114 CB PRO A 31 -0.763 8.284 14.461 1.00 0.00 C ATOM 115 CG PRO A 31 -2.042 8.196 15.212 1.00 0.00 C ATOM 116 CD PRO A 31 -3.053 7.663 14.238 1.00 0.00 C ATOM 0 HA PRO A 31 -0.292 7.296 12.547 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.095 8.217 15.130 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.680 9.232 13.930 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.944 7.536 16.074 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.341 9.173 15.590 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.805 7.049 14.734 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.584 8.467 13.729 1.00 0.00 H new ATOM 124 N ASP A 32 -0.863 5.031 14.732 1.00 0.00 N ATOM 125 CA ASP A 32 -0.313 3.835 15.353 1.00 0.00 C ATOM 126 C ASP A 32 -0.371 2.659 14.387 1.00 0.00 C ATOM 127 O ASP A 32 -0.038 1.530 14.746 1.00 0.00 O ATOM 128 CB ASP A 32 -1.066 3.497 16.647 1.00 0.00 C ATOM 129 CG ASP A 32 -2.475 2.996 16.401 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.232 3.670 15.673 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.838 1.931 16.947 1.00 0.00 O ATOM 0 H ASP A 32 -1.872 5.134 14.836 1.00 0.00 H new ATOM 0 HA ASP A 32 0.730 4.031 15.604 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.508 2.739 17.198 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.107 4.384 17.279 1.00 0.00 H new ATOM 136 N PHE A 33 -0.803 2.929 13.160 1.00 0.00 N ATOM 137 CA PHE A 33 -0.801 1.921 12.115 1.00 0.00 C ATOM 138 C PHE A 33 0.588 1.852 11.496 1.00 0.00 C ATOM 139 O PHE A 33 1.045 2.806 10.868 1.00 0.00 O ATOM 140 CB PHE A 33 -1.853 2.249 11.047 1.00 0.00 C ATOM 141 CG PHE A 33 -2.033 1.173 10.012 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.708 0.001 10.321 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.540 1.338 8.727 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.884 -0.984 9.368 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.711 0.356 7.771 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.385 -0.805 8.091 1.00 0.00 C ATOM 0 H PHE A 33 -1.159 3.839 12.868 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.054 0.952 12.545 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.809 2.430 11.538 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.571 3.176 10.547 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.100 -0.143 11.317 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.015 2.246 8.470 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.411 -1.893 9.620 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.318 0.496 6.775 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.523 -1.573 7.344 1.00 0.00 H new ATOM 156 N GLN A 34 1.265 0.737 11.704 1.00 0.00 N ATOM 157 CA GLN A 34 2.637 0.589 11.243 1.00 0.00 C ATOM 158 C GLN A 34 2.688 0.309 9.745 1.00 0.00 C ATOM 159 O GLN A 34 2.299 -0.767 9.283 1.00 0.00 O ATOM 160 CB GLN A 34 3.350 -0.516 12.027 1.00 0.00 C ATOM 161 CG GLN A 34 3.577 -0.188 13.498 1.00 0.00 C ATOM 162 CD GLN A 34 4.536 0.972 13.713 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.622 1.892 12.899 1.00 0.00 O ATOM 164 NE2 GLN A 34 5.263 0.938 14.815 1.00 0.00 N ATOM 0 H GLN A 34 0.890 -0.079 12.188 1.00 0.00 H new ATOM 0 HA GLN A 34 3.157 1.530 11.423 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.764 -1.433 11.956 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.313 -0.716 11.558 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.620 0.050 13.962 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.966 -1.071 14.004 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.165 0.160 15.467 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.922 1.690 15.014 1.00 0.00 H new ATOM 173 N ALA A 35 3.168 1.290 8.996 1.00 0.00 N ATOM 174 CA ALA A 35 3.306 1.170 7.555 1.00 0.00 C ATOM 175 C ALA A 35 4.555 1.899 7.081 1.00 0.00 C ATOM 176 O ALA A 35 5.039 2.817 7.748 1.00 0.00 O ATOM 177 CB ALA A 35 2.075 1.722 6.853 1.00 0.00 C ATOM 0 H ALA A 35 3.472 2.189 9.370 1.00 0.00 H new ATOM 0 HA ALA A 35 3.402 0.113 7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.197 1.624 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.194 1.165 7.171 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.951 2.774 7.110 1.00 0.00 H new ATOM 183 N ARG A 36 5.082 1.481 5.941 1.00 0.00 N ATOM 184 CA ARG A 36 6.266 2.105 5.372 1.00 0.00 C ATOM 185 C ARG A 36 6.290 1.923 3.861 1.00 0.00 C ATOM 186 O ARG A 36 5.622 1.041 3.318 1.00 0.00 O ATOM 187 CB ARG A 36 7.535 1.482 5.960 1.00 0.00 C ATOM 188 CG ARG A 36 7.774 0.052 5.495 1.00 0.00 C ATOM 189 CD ARG A 36 9.158 -0.449 5.869 1.00 0.00 C ATOM 190 NE ARG A 36 9.423 -1.769 5.305 1.00 0.00 N ATOM 191 CZ ARG A 36 10.529 -2.469 5.532 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.490 -1.985 6.309 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.682 -3.652 4.974 1.00 0.00 N ATOM 0 H ARG A 36 4.707 0.709 5.390 1.00 0.00 H new ATOM 0 HA ARG A 36 6.232 3.167 5.614 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.394 2.095 5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.468 1.497 7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.021 -0.602 5.935 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.650 -0.002 4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.909 0.256 5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.249 -0.492 6.954 1.00 0.00 H new ATOM 0 HE ARG A 36 8.714 -2.180 4.698 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.384 -1.066 6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.335 -2.532 6.476 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.952 -4.029 4.369 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.530 -4.191 5.147 1.00 0.00 H new ATOM 206 N LEU A 37 7.058 2.763 3.195 1.00 0.00 N ATOM 207 CA LEU A 37 7.362 2.564 1.794 1.00 0.00 C ATOM 208 C LEU A 37 8.743 1.946 1.686 1.00 0.00 C ATOM 209 O LEU A 37 9.675 2.373 2.368 1.00 0.00 O ATOM 210 CB LEU A 37 7.313 3.886 1.029 1.00 0.00 C ATOM 211 CG LEU A 37 5.941 4.555 0.984 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.032 5.908 0.298 1.00 0.00 C ATOM 213 CD2 LEU A 37 4.942 3.658 0.270 1.00 0.00 C ATOM 0 H LEU A 37 7.484 3.594 3.605 1.00 0.00 H new ATOM 0 HA LEU A 37 6.618 1.901 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.023 4.578 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.648 3.710 0.007 1.00 0.00 H new ATOM 0 HG LEU A 37 5.596 4.713 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.046 6.371 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.721 6.549 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.395 5.775 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.968 4.146 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.282 3.474 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.859 2.710 0.802 1.00 0.00 H new ATOM 225 N THR A 38 8.858 0.919 0.868 1.00 0.00 N ATOM 226 CA THR A 38 10.121 0.229 0.694 1.00 0.00 C ATOM 227 C THR A 38 11.125 1.099 -0.055 1.00 0.00 C ATOM 228 O THR A 38 10.751 2.105 -0.657 1.00 0.00 O ATOM 229 CB THR A 38 9.926 -1.088 -0.066 1.00 0.00 C ATOM 230 OG1 THR A 38 9.236 -0.832 -1.293 1.00 0.00 O ATOM 231 CG2 THR A 38 9.143 -2.088 0.774 1.00 0.00 C ATOM 0 H THR A 38 8.090 0.543 0.312 1.00 0.00 H new ATOM 0 HA THR A 38 10.511 0.014 1.689 1.00 0.00 H new ATOM 0 HB THR A 38 10.905 -1.517 -0.280 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.386 -1.575 -1.914 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.017 -3.014 0.214 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.686 -2.293 1.696 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.164 -1.674 1.014 1.00 0.00 H new ATOM 239 N ARG A 39 12.389 0.700 -0.022 1.00 0.00 N ATOM 240 CA ARG A 39 13.450 1.466 -0.659 1.00 0.00 C ATOM 241 C ARG A 39 13.211 1.544 -2.165 1.00 0.00 C ATOM 242 O ARG A 39 12.785 2.582 -2.673 1.00 0.00 O ATOM 243 CB ARG A 39 14.803 0.822 -0.359 1.00 0.00 C ATOM 244 CG ARG A 39 15.099 0.697 1.130 1.00 0.00 C ATOM 245 CD ARG A 39 16.189 -0.324 1.393 1.00 0.00 C ATOM 246 NE ARG A 39 17.448 0.048 0.762 1.00 0.00 N ATOM 247 CZ ARG A 39 18.131 -0.750 -0.048 1.00 0.00 C ATOM 248 NH1 ARG A 39 17.629 -1.925 -0.407 1.00 0.00 N ATOM 249 NH2 ARG A 39 19.305 -0.367 -0.522 1.00 0.00 N ATOM 0 H ARG A 39 12.705 -0.152 0.441 1.00 0.00 H new ATOM 0 HA ARG A 39 13.450 2.480 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.833 -0.169 -0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.590 1.412 -0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.403 1.666 1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.192 0.408 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.338 -0.426 2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.871 -1.298 1.021 1.00 0.00 H new ATOM 0 HE ARG A 39 17.826 0.976 0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.715 -2.217 -0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 39 18.157 -2.536 -1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 39 19.687 0.543 -0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 39 19.829 -0.982 -1.145 1.00 0.00 H new ATOM 262 N SER A 40 13.467 0.435 -2.860 1.00 0.00 N ATOM 263 CA SER A 40 13.211 0.320 -4.299 1.00 0.00 C ATOM 264 C SER A 40 14.018 1.352 -5.100 1.00 0.00 C ATOM 265 O SER A 40 15.085 1.040 -5.629 1.00 0.00 O ATOM 266 CB SER A 40 11.707 0.463 -4.584 1.00 0.00 C ATOM 267 OG SER A 40 11.392 0.096 -5.919 1.00 0.00 O ATOM 0 H SER A 40 13.858 -0.410 -2.443 1.00 0.00 H new ATOM 0 HA SER A 40 13.537 -0.669 -4.621 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.144 -0.162 -3.891 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.399 1.493 -4.407 1.00 0.00 H new ATOM 0 HG SER A 40 11.452 0.884 -6.498 1.00 0.00 H new ATOM 273 N ASN A 41 13.511 2.574 -5.174 1.00 0.00 N ATOM 274 CA ASN A 41 14.180 3.660 -5.882 1.00 0.00 C ATOM 275 C ASN A 41 14.277 4.875 -4.975 1.00 0.00 C ATOM 276 O ASN A 41 15.351 5.444 -4.778 1.00 0.00 O ATOM 277 CB ASN A 41 13.413 4.037 -7.155 1.00 0.00 C ATOM 278 CG ASN A 41 13.487 2.979 -8.243 1.00 0.00 C ATOM 279 OD1 ASN A 41 14.478 2.259 -8.365 1.00 0.00 O ATOM 280 ND2 ASN A 41 12.438 2.882 -9.047 1.00 0.00 N ATOM 0 H ASN A 41 12.625 2.842 -4.746 1.00 0.00 H new ATOM 0 HA ASN A 41 15.178 3.324 -6.163 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.368 4.213 -6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.809 4.975 -7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.434 2.193 -9.799 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.635 3.497 -8.914 1.00 0.00 H new ATOM 287 N SER A 42 13.140 5.242 -4.405 1.00 0.00 N ATOM 288 CA SER A 42 13.035 6.400 -3.544 1.00 0.00 C ATOM 289 C SER A 42 12.211 6.009 -2.324 1.00 0.00 C ATOM 290 O SER A 42 11.223 5.293 -2.457 1.00 0.00 O ATOM 291 CB SER A 42 12.351 7.535 -4.308 1.00 0.00 C ATOM 292 OG SER A 42 13.004 8.771 -4.095 1.00 0.00 O ATOM 0 H SER A 42 12.261 4.739 -4.530 1.00 0.00 H new ATOM 0 HA SER A 42 14.021 6.739 -3.228 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.344 7.305 -5.373 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.311 7.613 -3.992 1.00 0.00 H new ATOM 0 HG SER A 42 13.172 8.891 -3.137 1.00 0.00 H new ATOM 298 N LYS A 43 12.605 6.467 -1.139 1.00 0.00 N ATOM 299 CA LYS A 43 11.938 6.031 0.086 1.00 0.00 C ATOM 300 C LYS A 43 10.544 6.639 0.199 1.00 0.00 C ATOM 301 O LYS A 43 9.729 6.186 0.999 1.00 0.00 O ATOM 302 CB LYS A 43 12.766 6.362 1.332 1.00 0.00 C ATOM 303 CG LYS A 43 12.695 7.814 1.775 1.00 0.00 C ATOM 304 CD LYS A 43 13.323 8.020 3.148 1.00 0.00 C ATOM 305 CE LYS A 43 12.492 7.397 4.272 1.00 0.00 C ATOM 306 NZ LYS A 43 12.474 5.906 4.219 1.00 0.00 N ATOM 0 H LYS A 43 13.369 7.128 -1.000 1.00 0.00 H new ATOM 0 HA LYS A 43 11.840 4.947 0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.430 5.729 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.808 6.106 1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.205 8.442 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.654 8.136 1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.323 7.585 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.438 9.088 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.892 7.717 5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.470 7.771 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.372 5.526 5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.674 5.589 3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.363 5.563 3.804 1.00 0.00 H new ATOM 319 N CYS A 44 10.279 7.673 -0.589 1.00 0.00 N ATOM 320 CA CYS A 44 8.939 8.238 -0.670 1.00 0.00 C ATOM 321 C CYS A 44 8.273 7.822 -1.979 1.00 0.00 C ATOM 322 O CYS A 44 7.306 8.438 -2.423 1.00 0.00 O ATOM 323 CB CYS A 44 8.990 9.762 -0.565 1.00 0.00 C ATOM 324 SG CYS A 44 9.823 10.386 0.934 1.00 0.00 S ATOM 0 H CYS A 44 10.971 8.136 -1.179 1.00 0.00 H new ATOM 0 HA CYS A 44 8.351 7.855 0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.502 10.158 -1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.972 10.150 -0.588 1.00 0.00 H new ATOM 329 N GLN A 45 8.808 6.772 -2.593 1.00 0.00 N ATOM 330 CA GLN A 45 8.299 6.264 -3.863 1.00 0.00 C ATOM 331 C GLN A 45 8.682 4.794 -4.021 1.00 0.00 C ATOM 332 O GLN A 45 9.668 4.458 -4.685 1.00 0.00 O ATOM 333 CB GLN A 45 8.862 7.091 -5.023 1.00 0.00 C ATOM 334 CG GLN A 45 8.451 6.602 -6.406 1.00 0.00 C ATOM 335 CD GLN A 45 9.215 7.296 -7.518 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.617 8.533 -7.281 1.00 0.00 O flip ATOM 337 NE2 GLN A 45 9.451 6.719 -8.579 1.00 0.00 N flip ATOM 0 H GLN A 45 9.604 6.250 -2.226 1.00 0.00 H new ATOM 0 HA GLN A 45 7.212 6.348 -3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.538 8.125 -4.906 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.950 7.089 -4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.617 5.527 -6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.383 6.769 -6.544 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.124 5.764 -8.724 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.974 7.196 -9.314 1.00 0.00 H new ATOM 346 N GLY A 46 7.907 3.926 -3.398 1.00 0.00 N ATOM 347 CA GLY A 46 8.217 2.511 -3.417 1.00 0.00 C ATOM 348 C GLY A 46 6.988 1.658 -3.189 1.00 0.00 C ATOM 349 O GLY A 46 5.866 2.105 -3.441 1.00 0.00 O ATOM 0 H GLY A 46 7.066 4.174 -2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.666 2.251 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.958 2.292 -2.648 1.00 0.00 H new ATOM 353 N GLN A 47 7.191 0.440 -2.704 1.00 0.00 N ATOM 354 CA GLN A 47 6.088 -0.474 -2.449 1.00 0.00 C ATOM 355 C GLN A 47 5.606 -0.305 -1.014 1.00 0.00 C ATOM 356 O GLN A 47 6.415 -0.151 -0.098 1.00 0.00 O ATOM 357 CB GLN A 47 6.503 -1.933 -2.693 1.00 0.00 C ATOM 358 CG GLN A 47 7.014 -2.206 -4.103 1.00 0.00 C ATOM 359 CD GLN A 47 8.530 -2.180 -4.207 1.00 0.00 C ATOM 360 OE1 GLN A 47 9.238 -2.535 -3.263 1.00 0.00 O ATOM 361 NE2 GLN A 47 9.039 -1.757 -5.350 1.00 0.00 N ATOM 0 H GLN A 47 8.112 0.063 -2.479 1.00 0.00 H new ATOM 0 HA GLN A 47 5.279 -0.235 -3.140 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.280 -2.203 -1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.649 -2.581 -2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.651 -3.180 -4.432 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.597 -1.464 -4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.420 -1.471 -6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.051 -1.716 -5.474 1.00 0.00 H new ATOM 370 N LEU A 48 4.296 -0.320 -0.823 1.00 0.00 N ATOM 371 CA LEU A 48 3.721 -0.141 0.502 1.00 0.00 C ATOM 372 C LEU A 48 3.734 -1.446 1.288 1.00 0.00 C ATOM 373 O LEU A 48 3.070 -2.414 0.916 1.00 0.00 O ATOM 374 CB LEU A 48 2.284 0.384 0.396 1.00 0.00 C ATOM 375 CG LEU A 48 1.597 0.696 1.731 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.273 1.863 2.433 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.123 0.991 1.509 1.00 0.00 C ATOM 0 H LEU A 48 3.611 -0.454 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 48 4.332 0.589 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.290 1.290 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.684 -0.353 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 48 1.687 -0.181 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.766 2.063 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.317 1.616 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.222 2.748 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.352 1.211 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.020 1.850 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.357 0.124 1.056 1.00 0.00 H new ATOM 389 N GLU A 49 4.509 -1.470 2.359 1.00 0.00 N ATOM 390 CA GLU A 49 4.480 -2.580 3.299 1.00 0.00 C ATOM 391 C GLU A 49 3.802 -2.140 4.581 1.00 0.00 C ATOM 392 O GLU A 49 4.080 -1.057 5.103 1.00 0.00 O ATOM 393 CB GLU A 49 5.882 -3.110 3.618 1.00 0.00 C ATOM 394 CG GLU A 49 6.471 -4.013 2.548 1.00 0.00 C ATOM 395 CD GLU A 49 7.724 -4.722 3.019 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.758 -4.054 3.214 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.679 -5.954 3.208 1.00 0.00 O ATOM 0 H GLU A 49 5.169 -0.731 2.601 1.00 0.00 H new ATOM 0 HA GLU A 49 3.921 -3.391 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.551 -2.263 3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.844 -3.659 4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.728 -4.753 2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.703 -3.420 1.663 1.00 0.00 H new ATOM 404 N VAL A 50 2.907 -2.971 5.078 1.00 0.00 N ATOM 405 CA VAL A 50 2.177 -2.660 6.291 1.00 0.00 C ATOM 406 C VAL A 50 2.285 -3.806 7.284 1.00 0.00 C ATOM 407 O VAL A 50 2.488 -4.960 6.898 1.00 0.00 O ATOM 408 CB VAL A 50 0.684 -2.371 6.007 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.523 -1.197 5.053 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.017 -3.602 5.452 1.00 0.00 C ATOM 0 H VAL A 50 2.667 -3.870 4.659 1.00 0.00 H new ATOM 0 HA VAL A 50 2.626 -1.761 6.713 1.00 0.00 H new ATOM 0 HB VAL A 50 0.216 -2.108 6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.537 -1.018 4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.972 -0.306 5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.019 -1.425 4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.065 -3.369 5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.462 -3.905 4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.049 -4.415 6.175 1.00 0.00 H new ATOM 420 N TYR A 51 2.176 -3.479 8.557 1.00 0.00 N ATOM 421 CA TYR A 51 2.167 -4.490 9.597 1.00 0.00 C ATOM 422 C TYR A 51 0.739 -4.912 9.907 1.00 0.00 C ATOM 423 O TYR A 51 -0.063 -4.111 10.386 1.00 0.00 O ATOM 424 CB TYR A 51 2.845 -3.975 10.870 1.00 0.00 C ATOM 425 CG TYR A 51 2.630 -4.870 12.073 1.00 0.00 C ATOM 426 CD1 TYR A 51 3.354 -6.046 12.236 1.00 0.00 C ATOM 427 CD2 TYR A 51 1.684 -4.545 13.040 1.00 0.00 C ATOM 428 CE1 TYR A 51 3.140 -6.869 13.326 1.00 0.00 C ATOM 429 CE2 TYR A 51 1.468 -5.360 14.131 1.00 0.00 C ATOM 430 CZ TYR A 51 2.195 -6.522 14.269 1.00 0.00 C ATOM 431 OH TYR A 51 1.970 -7.342 15.354 1.00 0.00 O ATOM 0 H TYR A 51 2.092 -2.521 8.896 1.00 0.00 H new ATOM 0 HA TYR A 51 2.726 -5.352 9.234 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.915 -3.876 10.688 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.466 -2.978 11.096 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.095 -6.321 11.500 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.108 -3.637 12.934 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.710 -7.779 13.439 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.732 -5.089 14.874 1.00 0.00 H new ATOM 0 HH TYR A 51 1.274 -6.950 15.921 1.00 0.00 H new ATOM 441 N LEU A 52 0.426 -6.159 9.611 1.00 0.00 N ATOM 442 CA LEU A 52 -0.860 -6.725 9.979 1.00 0.00 C ATOM 443 C LEU A 52 -0.646 -7.881 10.949 1.00 0.00 C ATOM 444 O LEU A 52 0.413 -7.981 11.569 1.00 0.00 O ATOM 445 CB LEU A 52 -1.639 -7.184 8.739 1.00 0.00 C ATOM 446 CG LEU A 52 -2.075 -6.072 7.783 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.852 -6.660 6.620 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.924 -5.035 8.505 1.00 0.00 C ATOM 0 H LEU A 52 1.045 -6.801 9.116 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.457 -5.956 10.469 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.022 -7.893 8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.527 -7.724 9.069 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.180 -5.578 7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.158 -5.860 5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.221 -7.368 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.736 -7.175 6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.221 -4.255 7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.814 -5.514 8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.346 -4.592 9.316 1.00 0.00 H new ATOM 460 N LYS A 53 -1.636 -8.757 11.075 1.00 0.00 N ATOM 461 CA LYS A 53 -1.576 -9.835 12.051 1.00 0.00 C ATOM 462 C LYS A 53 -0.398 -10.768 11.779 1.00 0.00 C ATOM 463 O LYS A 53 0.180 -11.330 12.707 1.00 0.00 O ATOM 464 CB LYS A 53 -2.884 -10.635 12.055 1.00 0.00 C ATOM 465 CG LYS A 53 -4.131 -9.790 12.286 1.00 0.00 C ATOM 466 CD LYS A 53 -4.035 -8.923 13.539 1.00 0.00 C ATOM 467 CE LYS A 53 -4.070 -9.741 14.825 1.00 0.00 C ATOM 468 NZ LYS A 53 -2.754 -10.365 15.147 1.00 0.00 N ATOM 0 H LYS A 53 -2.488 -8.741 10.514 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.434 -9.381 13.032 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.982 -11.155 11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.827 -11.399 12.830 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.296 -9.150 11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.998 -10.445 12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.111 -8.345 13.506 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.858 -8.208 13.545 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.375 -9.098 15.651 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.825 -10.522 14.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.698 -10.550 16.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.658 -11.260 14.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.987 -9.720 14.870 1.00 0.00 H new ATOM 481 N ASP A 54 -0.029 -10.911 10.511 1.00 0.00 N ATOM 482 CA ASP A 54 1.043 -11.826 10.132 1.00 0.00 C ATOM 483 C ASP A 54 2.373 -11.103 9.926 1.00 0.00 C ATOM 484 O ASP A 54 3.327 -11.684 9.407 1.00 0.00 O ATOM 485 CB ASP A 54 0.671 -12.625 8.873 1.00 0.00 C ATOM 486 CG ASP A 54 0.289 -11.760 7.680 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.630 -10.558 7.664 1.00 0.00 O ATOM 488 OD2 ASP A 54 -0.361 -12.291 6.752 1.00 0.00 O ATOM 0 H ASP A 54 -0.453 -10.408 9.731 1.00 0.00 H new ATOM 0 HA ASP A 54 1.170 -12.520 10.963 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.514 -13.258 8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.161 -13.288 9.109 1.00 0.00 H new ATOM 493 N GLY A 55 2.444 -9.845 10.337 1.00 0.00 N ATOM 494 CA GLY A 55 3.695 -9.115 10.255 1.00 0.00 C ATOM 495 C GLY A 55 3.706 -8.095 9.135 1.00 0.00 C ATOM 496 O GLY A 55 2.649 -7.679 8.656 1.00 0.00 O ATOM 0 H GLY A 55 1.662 -9.317 10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.878 -8.609 11.203 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.513 -9.820 10.107 1.00 0.00 H new ATOM 500 N TRP A 56 4.906 -7.701 8.722 1.00 0.00 N ATOM 501 CA TRP A 56 5.079 -6.711 7.663 1.00 0.00 C ATOM 502 C TRP A 56 4.988 -7.369 6.294 1.00 0.00 C ATOM 503 O TRP A 56 5.814 -8.218 5.951 1.00 0.00 O ATOM 504 CB TRP A 56 6.430 -6.007 7.799 1.00 0.00 C ATOM 505 CG TRP A 56 6.520 -5.084 8.974 1.00 0.00 C ATOM 506 CD1 TRP A 56 6.867 -5.404 10.257 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.261 -3.678 8.967 1.00 0.00 C ATOM 508 NE1 TRP A 56 6.838 -4.281 11.046 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.472 -3.207 10.275 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.875 -2.771 7.977 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.305 -1.867 10.616 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.711 -1.444 8.318 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.926 -1.002 9.626 1.00 0.00 C ATOM 0 H TRP A 56 5.781 -8.056 9.108 1.00 0.00 H new ATOM 0 HA TRP A 56 4.281 -5.975 7.760 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.214 -6.760 7.881 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.626 -5.440 6.889 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.126 -6.395 10.600 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.053 -4.250 12.043 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.708 -3.103 6.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.469 -1.523 11.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.411 -0.735 7.561 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.790 0.044 9.860 1.00 0.00 H new ATOM 524 N HIS A 57 3.994 -6.972 5.512 1.00 0.00 N ATOM 525 CA HIS A 57 3.781 -7.560 4.195 1.00 0.00 C ATOM 526 C HIS A 57 3.375 -6.506 3.173 1.00 0.00 C ATOM 527 O HIS A 57 2.814 -5.464 3.520 1.00 0.00 O ATOM 528 CB HIS A 57 2.736 -8.678 4.268 1.00 0.00 C ATOM 529 CG HIS A 57 3.279 -9.943 4.856 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.798 -10.516 6.013 1.00 0.00 N ATOM 531 CD2 HIS A 57 4.297 -10.737 4.441 1.00 0.00 C ATOM 532 CE1 HIS A 57 3.497 -11.603 6.288 1.00 0.00 C ATOM 533 NE2 HIS A 57 4.411 -11.761 5.347 1.00 0.00 N ATOM 0 H HIS A 57 3.323 -6.247 5.765 1.00 0.00 H new ATOM 0 HA HIS A 57 4.726 -7.991 3.865 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.890 -8.339 4.865 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.358 -8.882 3.266 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.023 -10.157 6.570 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.905 -10.590 3.561 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.347 -12.252 7.138 1.00 0.00 H new ATOM 541 N MET A 58 3.681 -6.795 1.912 1.00 0.00 N ATOM 542 CA MET A 58 3.460 -5.866 0.808 1.00 0.00 C ATOM 543 C MET A 58 1.987 -5.815 0.417 1.00 0.00 C ATOM 544 O MET A 58 1.358 -6.851 0.219 1.00 0.00 O ATOM 545 CB MET A 58 4.299 -6.298 -0.398 1.00 0.00 C ATOM 546 CG MET A 58 5.774 -6.478 -0.079 1.00 0.00 C ATOM 547 SD MET A 58 6.703 -7.234 -1.429 1.00 0.00 S ATOM 548 CE MET A 58 6.495 -6.009 -2.715 1.00 0.00 C ATOM 0 H MET A 58 4.091 -7.684 1.626 1.00 0.00 H new ATOM 0 HA MET A 58 3.760 -4.869 1.132 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.903 -7.235 -0.789 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.195 -5.554 -1.188 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.210 -5.507 0.155 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.874 -7.096 0.813 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.602 -6.484 -3.690 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.504 -5.563 -2.635 1.00 0.00 H new ATOM 0 HE3 MET A 58 7.252 -5.233 -2.604 1.00 0.00 H new ATOM 558 N VAL A 59 1.447 -4.614 0.291 1.00 0.00 N ATOM 559 CA VAL A 59 0.051 -4.442 -0.096 1.00 0.00 C ATOM 560 C VAL A 59 -0.099 -4.579 -1.607 1.00 0.00 C ATOM 561 O VAL A 59 0.686 -4.013 -2.369 1.00 0.00 O ATOM 562 CB VAL A 59 -0.502 -3.067 0.352 1.00 0.00 C ATOM 563 CG1 VAL A 59 -1.947 -2.882 -0.094 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.390 -2.906 1.861 1.00 0.00 C ATOM 0 H VAL A 59 1.952 -3.742 0.450 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.524 -5.222 0.404 1.00 0.00 H new ATOM 0 HB VAL A 59 0.102 -2.296 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.307 -1.907 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.003 -2.941 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.566 -3.665 0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.784 -1.933 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.962 -3.692 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.656 -2.977 2.158 1.00 0.00 H new ATOM 574 N CYS A 60 -1.091 -5.346 -2.038 1.00 0.00 N ATOM 575 CA CYS A 60 -1.374 -5.508 -3.457 1.00 0.00 C ATOM 576 C CYS A 60 -2.426 -4.483 -3.879 1.00 0.00 C ATOM 577 O CYS A 60 -3.360 -4.199 -3.127 1.00 0.00 O ATOM 578 CB CYS A 60 -1.868 -6.933 -3.737 1.00 0.00 C ATOM 579 SG CYS A 60 -1.779 -7.435 -5.488 1.00 0.00 S ATOM 0 H CYS A 60 -1.715 -5.867 -1.423 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.463 -5.344 -4.033 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.280 -7.631 -3.142 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.901 -7.019 -3.400 1.00 0.00 H new ATOM 584 N SER A 61 -2.276 -3.931 -5.079 1.00 0.00 N ATOM 585 CA SER A 61 -3.150 -2.856 -5.549 1.00 0.00 C ATOM 586 C SER A 61 -4.546 -3.361 -5.932 1.00 0.00 C ATOM 587 O SER A 61 -5.414 -2.575 -6.305 1.00 0.00 O ATOM 588 CB SER A 61 -2.499 -2.139 -6.734 1.00 0.00 C ATOM 589 OG SER A 61 -2.076 -3.064 -7.719 1.00 0.00 O ATOM 0 H SER A 61 -1.557 -4.209 -5.746 1.00 0.00 H new ATOM 0 HA SER A 61 -3.282 -2.156 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.208 -1.436 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.645 -1.557 -6.387 1.00 0.00 H new ATOM 0 HG SER A 61 -1.235 -3.480 -7.437 1.00 0.00 H new ATOM 595 N GLN A 62 -4.763 -4.669 -5.825 1.00 0.00 N ATOM 596 CA GLN A 62 -6.065 -5.254 -6.130 1.00 0.00 C ATOM 597 C GLN A 62 -6.944 -5.287 -4.871 1.00 0.00 C ATOM 598 O GLN A 62 -7.969 -5.968 -4.815 1.00 0.00 O ATOM 599 CB GLN A 62 -5.877 -6.663 -6.710 1.00 0.00 C ATOM 600 CG GLN A 62 -7.153 -7.295 -7.248 1.00 0.00 C ATOM 601 CD GLN A 62 -6.901 -8.634 -7.904 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.928 -9.677 -7.250 1.00 0.00 O ATOM 603 NE2 GLN A 62 -6.660 -8.614 -9.205 1.00 0.00 N ATOM 0 H GLN A 62 -4.056 -5.342 -5.530 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.570 -4.638 -6.874 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.142 -6.617 -7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.464 -7.310 -5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.865 -7.421 -6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.613 -6.620 -7.970 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.647 -7.727 -9.708 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.487 -9.486 -9.705 1.00 0.00 H new ATOM 612 N SER A 63 -6.543 -4.529 -3.863 1.00 0.00 N ATOM 613 CA SER A 63 -7.280 -4.475 -2.616 1.00 0.00 C ATOM 614 C SER A 63 -8.543 -3.628 -2.767 1.00 0.00 C ATOM 615 O SER A 63 -8.611 -2.752 -3.628 1.00 0.00 O ATOM 616 CB SER A 63 -6.391 -3.907 -1.504 1.00 0.00 C ATOM 617 OG SER A 63 -5.279 -4.755 -1.260 1.00 0.00 O ATOM 0 H SER A 63 -5.709 -3.942 -3.887 1.00 0.00 H new ATOM 0 HA SER A 63 -7.579 -5.489 -2.349 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.041 -2.914 -1.785 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.974 -3.793 -0.590 1.00 0.00 H new ATOM 0 HG SER A 63 -4.598 -4.607 -1.949 1.00 0.00 H new ATOM 623 N TRP A 64 -9.539 -3.928 -1.938 1.00 0.00 N ATOM 624 CA TRP A 64 -10.794 -3.172 -1.880 1.00 0.00 C ATOM 625 C TRP A 64 -11.542 -3.218 -3.210 1.00 0.00 C ATOM 626 O TRP A 64 -12.334 -2.322 -3.524 1.00 0.00 O ATOM 627 CB TRP A 64 -10.520 -1.725 -1.454 1.00 0.00 C ATOM 628 CG TRP A 64 -9.695 -1.642 -0.207 1.00 0.00 C ATOM 629 CD1 TRP A 64 -10.028 -2.113 1.029 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.393 -1.059 -0.077 1.00 0.00 C ATOM 631 NE1 TRP A 64 -9.013 -1.865 1.916 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.999 -1.219 1.262 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.521 -0.423 -0.965 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.775 -0.764 1.736 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.305 0.030 -0.492 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.941 -0.144 0.848 1.00 0.00 C ATOM 0 H TRP A 64 -9.501 -4.708 -1.281 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.436 -3.641 -1.134 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -10.006 -1.203 -2.261 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.468 -1.211 -1.294 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.956 -2.609 1.273 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.013 -2.120 2.903 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.793 -0.288 -2.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.492 -0.896 2.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.624 0.527 -1.167 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.982 0.219 1.187 1.00 0.00 H new ATOM 647 N GLY A 65 -11.285 -4.273 -3.980 1.00 0.00 N ATOM 648 CA GLY A 65 -11.955 -4.463 -5.255 1.00 0.00 C ATOM 649 C GLY A 65 -11.609 -3.380 -6.255 1.00 0.00 C ATOM 650 O GLY A 65 -12.374 -3.110 -7.178 1.00 0.00 O ATOM 0 H GLY A 65 -10.618 -5.006 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.680 -5.434 -5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.033 -4.477 -5.097 1.00 0.00 H new ATOM 654 N ARG A 66 -10.453 -2.762 -6.074 1.00 0.00 N ATOM 655 CA ARG A 66 -10.037 -1.666 -6.929 1.00 0.00 C ATOM 656 C ARG A 66 -9.215 -2.190 -8.095 1.00 0.00 C ATOM 657 O ARG A 66 -8.713 -3.315 -8.061 1.00 0.00 O ATOM 658 CB ARG A 66 -9.220 -0.647 -6.125 1.00 0.00 C ATOM 659 CG ARG A 66 -9.953 -0.098 -4.911 1.00 0.00 C ATOM 660 CD ARG A 66 -11.156 0.744 -5.307 1.00 0.00 C ATOM 661 NE ARG A 66 -12.321 0.442 -4.479 1.00 0.00 N ATOM 662 CZ ARG A 66 -13.255 1.332 -4.160 1.00 0.00 C ATOM 663 NH1 ARG A 66 -13.133 2.594 -4.549 1.00 0.00 N ATOM 664 NH2 ARG A 66 -14.306 0.973 -3.441 1.00 0.00 N ATOM 0 H ARG A 66 -9.786 -3.003 -5.341 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.927 -1.173 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.292 -1.116 -5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.945 0.181 -6.778 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.280 -0.925 -4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.268 0.505 -4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.907 1.801 -5.214 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.397 0.564 -6.355 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.424 -0.509 -4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.321 2.883 -5.094 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.851 3.275 -4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.404 0.007 -3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.019 1.662 -3.200 1.00 0.00 H new ATOM 677 N SER A 67 -9.107 -1.380 -9.131 1.00 0.00 N ATOM 678 CA SER A 67 -8.287 -1.705 -10.275 1.00 0.00 C ATOM 679 C SER A 67 -6.818 -1.472 -9.946 1.00 0.00 C ATOM 680 O SER A 67 -6.488 -0.560 -9.187 1.00 0.00 O ATOM 681 CB SER A 67 -8.721 -0.843 -11.461 1.00 0.00 C ATOM 682 OG SER A 67 -8.957 0.501 -11.055 1.00 0.00 O ATOM 0 H SER A 67 -9.585 -0.482 -9.200 1.00 0.00 H new ATOM 0 HA SER A 67 -8.413 -2.756 -10.534 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.951 -0.864 -12.232 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.627 -1.257 -11.904 1.00 0.00 H new ATOM 0 HG SER A 67 -9.232 1.034 -11.830 1.00 0.00 H new ATOM 688 N SER A 68 -5.941 -2.299 -10.504 1.00 0.00 N ATOM 689 CA SER A 68 -4.505 -2.150 -10.307 1.00 0.00 C ATOM 690 C SER A 68 -3.973 -0.985 -11.145 1.00 0.00 C ATOM 691 O SER A 68 -3.057 -1.136 -11.957 1.00 0.00 O ATOM 692 CB SER A 68 -3.793 -3.451 -10.675 1.00 0.00 C ATOM 693 OG SER A 68 -4.340 -4.544 -9.954 1.00 0.00 O ATOM 0 H SER A 68 -6.202 -3.084 -11.100 1.00 0.00 H new ATOM 0 HA SER A 68 -4.310 -1.931 -9.257 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.887 -3.632 -11.746 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.728 -3.362 -10.458 1.00 0.00 H new ATOM 0 HG SER A 68 -3.872 -5.368 -10.204 1.00 0.00 H new ATOM 699 N LYS A 69 -4.576 0.176 -10.931 1.00 0.00 N ATOM 700 CA LYS A 69 -4.259 1.397 -11.652 1.00 0.00 C ATOM 701 C LYS A 69 -4.353 2.558 -10.669 1.00 0.00 C ATOM 702 O LYS A 69 -4.729 2.357 -9.514 1.00 0.00 O ATOM 703 CB LYS A 69 -5.262 1.604 -12.801 1.00 0.00 C ATOM 704 CG LYS A 69 -5.332 0.454 -13.808 1.00 0.00 C ATOM 705 CD LYS A 69 -4.369 0.634 -14.979 1.00 0.00 C ATOM 706 CE LYS A 69 -2.915 0.644 -14.542 1.00 0.00 C ATOM 707 NZ LYS A 69 -1.989 0.784 -15.698 1.00 0.00 N ATOM 0 H LYS A 69 -5.314 0.296 -10.237 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.257 1.337 -12.077 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.254 1.756 -12.375 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.000 2.518 -13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.107 -0.483 -13.299 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.350 0.373 -14.190 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.523 -0.170 -15.698 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.597 1.568 -15.492 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.751 1.465 -13.844 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.690 -0.279 -14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.006 0.787 -15.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.127 -0.013 -16.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.186 1.677 -16.194 1.00 0.00 H new ATOM 720 N GLN A 70 -4.013 3.759 -11.104 1.00 0.00 N ATOM 721 CA GLN A 70 -4.184 4.928 -10.254 1.00 0.00 C ATOM 722 C GLN A 70 -5.521 5.595 -10.550 1.00 0.00 C ATOM 723 O GLN A 70 -5.769 6.036 -11.673 1.00 0.00 O ATOM 724 CB GLN A 70 -3.033 5.939 -10.408 1.00 0.00 C ATOM 725 CG GLN A 70 -2.657 6.285 -11.843 1.00 0.00 C ATOM 726 CD GLN A 70 -1.710 5.273 -12.468 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.857 4.668 -11.654 1.00 0.00 O flip ATOM 728 NE2 GLN A 70 -1.745 5.043 -13.675 1.00 0.00 N flip ATOM 0 H GLN A 70 -3.622 3.951 -12.027 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.169 4.585 -9.220 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.307 6.858 -9.890 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.152 5.541 -9.905 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.563 6.347 -12.446 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.192 7.271 -11.864 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.417 5.530 -14.268 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.102 4.365 -14.084 1.00 0.00 H new ATOM 737 N TRP A 71 -6.388 5.645 -9.546 1.00 0.00 N ATOM 738 CA TRP A 71 -7.705 6.252 -9.697 1.00 0.00 C ATOM 739 C TRP A 71 -7.634 7.768 -9.509 1.00 0.00 C ATOM 740 O TRP A 71 -6.544 8.341 -9.479 1.00 0.00 O ATOM 741 CB TRP A 71 -8.705 5.618 -8.720 1.00 0.00 C ATOM 742 CG TRP A 71 -8.189 5.475 -7.321 1.00 0.00 C ATOM 743 CD1 TRP A 71 -8.181 6.429 -6.348 1.00 0.00 C ATOM 744 CD2 TRP A 71 -7.615 4.300 -6.737 1.00 0.00 C ATOM 745 NE1 TRP A 71 -7.635 5.923 -5.195 1.00 0.00 N ATOM 746 CE2 TRP A 71 -7.280 4.616 -5.408 1.00 0.00 C ATOM 747 CE3 TRP A 71 -7.353 3.010 -7.209 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -6.694 3.690 -4.548 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -6.772 2.094 -6.352 1.00 0.00 C ATOM 750 CH2 TRP A 71 -6.451 2.436 -5.036 1.00 0.00 C ATOM 0 H TRP A 71 -6.202 5.271 -8.615 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.056 6.062 -10.711 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -9.611 6.223 -8.701 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.987 4.634 -9.094 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.551 7.437 -6.467 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -7.513 6.436 -4.322 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.600 2.735 -8.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.441 3.953 -3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.562 1.096 -6.706 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.002 1.695 -4.391 1.00 0.00 H new ATOM 761 N GLU A 72 -8.797 8.406 -9.391 1.00 0.00 N ATOM 762 CA GLU A 72 -8.886 9.871 -9.378 1.00 0.00 C ATOM 763 C GLU A 72 -8.041 10.499 -8.268 1.00 0.00 C ATOM 764 O GLU A 72 -7.270 11.427 -8.523 1.00 0.00 O ATOM 765 CB GLU A 72 -10.338 10.350 -9.229 1.00 0.00 C ATOM 766 CG GLU A 72 -11.331 9.677 -10.162 1.00 0.00 C ATOM 767 CD GLU A 72 -11.876 8.388 -9.587 1.00 0.00 C ATOM 768 OE1 GLU A 72 -12.888 8.444 -8.860 1.00 0.00 O ATOM 769 OE2 GLU A 72 -11.286 7.320 -9.839 1.00 0.00 O ATOM 0 H GLU A 72 -9.696 7.932 -9.303 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.493 10.197 -10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.657 10.183 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.370 11.426 -9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.156 10.360 -10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.847 9.470 -11.117 1.00 0.00 H new ATOM 776 N ASP A 73 -8.180 10.005 -7.041 1.00 0.00 N ATOM 777 CA ASP A 73 -7.496 10.620 -5.906 1.00 0.00 C ATOM 778 C ASP A 73 -6.479 9.663 -5.295 1.00 0.00 C ATOM 779 O ASP A 73 -6.840 8.727 -4.581 1.00 0.00 O ATOM 780 CB ASP A 73 -8.494 11.060 -4.832 1.00 0.00 C ATOM 781 CG ASP A 73 -7.864 11.997 -3.813 1.00 0.00 C ATOM 782 OD1 ASP A 73 -6.986 11.557 -3.041 1.00 0.00 O ATOM 783 OD2 ASP A 73 -8.240 13.189 -3.792 1.00 0.00 O ATOM 0 H ASP A 73 -8.751 9.193 -6.808 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.973 11.499 -6.282 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.340 11.557 -5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.887 10.181 -4.321 1.00 0.00 H new ATOM 788 N PRO A 74 -5.192 9.881 -5.578 1.00 0.00 N ATOM 789 CA PRO A 74 -4.116 9.078 -5.020 1.00 0.00 C ATOM 790 C PRO A 74 -3.581 9.659 -3.713 1.00 0.00 C ATOM 791 O PRO A 74 -2.652 9.119 -3.113 1.00 0.00 O ATOM 792 CB PRO A 74 -3.058 9.157 -6.114 1.00 0.00 C ATOM 793 CG PRO A 74 -3.237 10.509 -6.724 1.00 0.00 C ATOM 794 CD PRO A 74 -4.672 10.919 -6.486 1.00 0.00 C ATOM 0 HA PRO A 74 -4.429 8.065 -4.767 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.055 9.038 -5.703 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.195 8.368 -6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.552 11.228 -6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.016 10.482 -7.791 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.735 11.910 -6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.237 10.954 -7.417 1.00 0.00 H new ATOM 802 N SER A 75 -4.183 10.751 -3.267 1.00 0.00 N ATOM 803 CA SER A 75 -3.687 11.478 -2.114 1.00 0.00 C ATOM 804 C SER A 75 -4.348 11.011 -0.816 1.00 0.00 C ATOM 805 O SER A 75 -4.106 11.577 0.249 1.00 0.00 O ATOM 806 CB SER A 75 -3.906 12.977 -2.321 1.00 0.00 C ATOM 807 OG SER A 75 -3.308 13.409 -3.536 1.00 0.00 O ATOM 0 H SER A 75 -5.020 11.153 -3.690 1.00 0.00 H new ATOM 0 HA SER A 75 -2.620 11.276 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.974 13.195 -2.338 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.481 13.531 -1.484 1.00 0.00 H new ATOM 0 HG SER A 75 -2.369 13.129 -3.556 1.00 0.00 H new ATOM 813 N GLN A 76 -5.165 9.964 -0.899 1.00 0.00 N ATOM 814 CA GLN A 76 -5.824 9.412 0.283 1.00 0.00 C ATOM 815 C GLN A 76 -4.824 8.694 1.188 1.00 0.00 C ATOM 816 O GLN A 76 -5.152 8.308 2.307 1.00 0.00 O ATOM 817 CB GLN A 76 -6.953 8.460 -0.123 1.00 0.00 C ATOM 818 CG GLN A 76 -8.180 9.174 -0.677 1.00 0.00 C ATOM 819 CD GLN A 76 -8.862 10.058 0.357 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.529 11.234 0.507 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.827 9.508 1.076 1.00 0.00 N ATOM 0 H GLN A 76 -5.387 9.481 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.253 10.243 0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.578 7.763 -0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.247 7.868 0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.886 9.783 -1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.892 8.434 -1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.080 8.531 0.928 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.318 10.061 1.778 1.00 0.00 H new ATOM 830 N ALA A 77 -3.603 8.532 0.695 1.00 0.00 N ATOM 831 CA ALA A 77 -2.535 7.900 1.462 1.00 0.00 C ATOM 832 C ALA A 77 -1.629 8.957 2.095 1.00 0.00 C ATOM 833 O ALA A 77 -0.460 8.699 2.392 1.00 0.00 O ATOM 834 CB ALA A 77 -1.729 6.971 0.566 1.00 0.00 C ATOM 0 H ALA A 77 -3.325 8.832 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.981 7.312 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.934 6.504 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.383 6.199 0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.292 7.543 -0.252 1.00 0.00 H new ATOM 840 N SER A 78 -2.189 10.143 2.297 1.00 0.00 N ATOM 841 CA SER A 78 -1.454 11.280 2.843 1.00 0.00 C ATOM 842 C SER A 78 -0.788 10.950 4.180 1.00 0.00 C ATOM 843 O SER A 78 0.368 11.309 4.410 1.00 0.00 O ATOM 844 CB SER A 78 -2.412 12.461 3.003 1.00 0.00 C ATOM 845 OG SER A 78 -3.638 12.041 3.579 1.00 0.00 O ATOM 0 H SER A 78 -3.166 10.345 2.087 1.00 0.00 H new ATOM 0 HA SER A 78 -0.655 11.536 2.147 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.953 13.225 3.631 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.599 12.917 2.031 1.00 0.00 H new ATOM 0 HG SER A 78 -4.236 12.812 3.674 1.00 0.00 H new ATOM 851 N LYS A 79 -1.517 10.252 5.045 1.00 0.00 N ATOM 852 CA LYS A 79 -1.012 9.888 6.366 1.00 0.00 C ATOM 853 C LYS A 79 0.267 9.062 6.276 1.00 0.00 C ATOM 854 O LYS A 79 1.162 9.201 7.112 1.00 0.00 O ATOM 855 CB LYS A 79 -2.075 9.120 7.148 1.00 0.00 C ATOM 856 CG LYS A 79 -3.240 9.983 7.593 1.00 0.00 C ATOM 857 CD LYS A 79 -2.798 11.019 8.610 1.00 0.00 C ATOM 858 CE LYS A 79 -3.952 11.901 9.053 1.00 0.00 C ATOM 859 NZ LYS A 79 -3.557 12.797 10.170 1.00 0.00 N ATOM 0 H LYS A 79 -2.464 9.925 4.854 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.775 10.813 6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.452 8.305 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.613 8.667 8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.678 10.482 6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.018 9.354 8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.370 10.517 9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.011 11.638 8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.298 12.500 8.210 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.789 11.277 9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.369 13.385 10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.251 12.225 10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.775 13.410 9.863 1.00 0.00 H new ATOM 872 N VAL A 80 0.361 8.218 5.257 1.00 0.00 N ATOM 873 CA VAL A 80 1.540 7.387 5.073 1.00 0.00 C ATOM 874 C VAL A 80 2.741 8.255 4.710 1.00 0.00 C ATOM 875 O VAL A 80 3.789 8.175 5.350 1.00 0.00 O ATOM 876 CB VAL A 80 1.325 6.313 3.984 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.583 5.476 3.796 1.00 0.00 C ATOM 878 CG2 VAL A 80 0.142 5.421 4.332 1.00 0.00 C ATOM 0 H VAL A 80 -0.362 8.092 4.549 1.00 0.00 H new ATOM 0 HA VAL A 80 1.728 6.873 6.016 1.00 0.00 H new ATOM 0 HB VAL A 80 1.107 6.823 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.409 4.726 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.408 6.122 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.834 4.980 4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.009 4.672 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.329 4.924 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.760 6.027 4.410 1.00 0.00 H new ATOM 888 N CYS A 81 2.570 9.105 3.702 1.00 0.00 N ATOM 889 CA CYS A 81 3.631 10.014 3.282 1.00 0.00 C ATOM 890 C CYS A 81 4.053 10.911 4.439 1.00 0.00 C ATOM 891 O CYS A 81 5.241 11.144 4.659 1.00 0.00 O ATOM 892 CB CYS A 81 3.167 10.880 2.105 1.00 0.00 C ATOM 893 SG CYS A 81 2.558 9.937 0.669 1.00 0.00 S ATOM 0 H CYS A 81 1.708 9.183 3.162 1.00 0.00 H new ATOM 0 HA CYS A 81 4.484 9.413 2.965 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.375 11.545 2.449 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.996 11.511 1.785 1.00 0.00 H new ATOM 898 N GLN A 82 3.068 11.384 5.195 1.00 0.00 N ATOM 899 CA GLN A 82 3.310 12.308 6.292 1.00 0.00 C ATOM 900 C GLN A 82 4.192 11.677 7.365 1.00 0.00 C ATOM 901 O GLN A 82 5.159 12.289 7.819 1.00 0.00 O ATOM 902 CB GLN A 82 1.983 12.760 6.907 1.00 0.00 C ATOM 903 CG GLN A 82 2.132 13.906 7.893 1.00 0.00 C ATOM 904 CD GLN A 82 2.645 15.171 7.231 1.00 0.00 C ATOM 905 OE1 GLN A 82 2.372 15.430 6.058 1.00 0.00 O ATOM 906 NE2 GLN A 82 3.405 15.958 7.972 1.00 0.00 N ATOM 0 H GLN A 82 2.087 11.139 5.064 1.00 0.00 H new ATOM 0 HA GLN A 82 3.833 13.175 5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.306 13.064 6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.519 11.913 7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.168 14.108 8.360 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.816 13.611 8.689 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.607 15.708 8.940 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.789 16.816 7.576 1.00 0.00 H new ATOM 915 N ARG A 83 3.875 10.445 7.752 1.00 0.00 N ATOM 916 CA ARG A 83 4.610 9.776 8.823 1.00 0.00 C ATOM 917 C ARG A 83 5.997 9.330 8.369 1.00 0.00 C ATOM 918 O ARG A 83 6.831 8.949 9.190 1.00 0.00 O ATOM 919 CB ARG A 83 3.819 8.585 9.374 1.00 0.00 C ATOM 920 CG ARG A 83 2.579 8.986 10.168 1.00 0.00 C ATOM 921 CD ARG A 83 2.907 10.041 11.213 1.00 0.00 C ATOM 922 NE ARG A 83 1.788 10.317 12.114 1.00 0.00 N ATOM 923 CZ ARG A 83 0.734 11.068 11.787 1.00 0.00 C ATOM 924 NH1 ARG A 83 0.575 11.493 10.540 1.00 0.00 N ATOM 925 NH2 ARG A 83 -0.167 11.386 12.702 1.00 0.00 N ATOM 0 H ARG A 83 3.121 9.892 7.345 1.00 0.00 H new ATOM 0 HA ARG A 83 4.742 10.505 9.623 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.517 7.946 8.544 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.472 7.991 10.013 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.818 9.369 9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.157 8.107 10.656 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.765 9.711 11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.199 10.964 10.711 1.00 0.00 H new ATOM 0 HE ARG A 83 1.815 9.911 13.049 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.260 11.246 9.826 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.232 12.067 10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.058 11.057 13.661 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.971 11.960 12.448 1.00 0.00 H new ATOM 938 N LEU A 84 6.244 9.371 7.068 1.00 0.00 N ATOM 939 CA LEU A 84 7.575 9.088 6.545 1.00 0.00 C ATOM 940 C LEU A 84 8.331 10.382 6.251 1.00 0.00 C ATOM 941 O LEU A 84 9.434 10.350 5.705 1.00 0.00 O ATOM 942 CB LEU A 84 7.504 8.231 5.281 1.00 0.00 C ATOM 943 CG LEU A 84 7.472 6.717 5.511 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.161 6.277 6.146 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.707 5.985 4.201 1.00 0.00 C ATOM 0 H LEU A 84 5.547 9.596 6.358 1.00 0.00 H new ATOM 0 HA LEU A 84 8.114 8.530 7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.613 8.515 4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.364 8.467 4.654 1.00 0.00 H new ATOM 0 HG LEU A 84 8.273 6.463 6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.173 5.197 6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.038 6.774 7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.332 6.544 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.682 4.909 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.928 6.255 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.680 6.265 3.797 1.00 0.00 H new ATOM 957 N ASN A 85 7.732 11.514 6.633 1.00 0.00 N ATOM 958 CA ASN A 85 8.320 12.839 6.402 1.00 0.00 C ATOM 959 C ASN A 85 8.455 13.130 4.913 1.00 0.00 C ATOM 960 O ASN A 85 9.421 13.753 4.472 1.00 0.00 O ATOM 961 CB ASN A 85 9.684 12.980 7.089 1.00 0.00 C ATOM 962 CG ASN A 85 9.584 13.019 8.600 1.00 0.00 C ATOM 963 OD1 ASN A 85 9.454 14.084 9.202 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.650 11.856 9.226 1.00 0.00 N ATOM 0 H ASN A 85 6.830 11.539 7.109 1.00 0.00 H new ATOM 0 HA ASN A 85 7.640 13.569 6.841 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.321 12.146 6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.169 13.891 6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.593 11.821 10.244 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.758 10.994 8.691 1.00 0.00 H new ATOM 971 N CYS A 86 7.480 12.674 4.143 1.00 0.00 N ATOM 972 CA CYS A 86 7.447 12.931 2.718 1.00 0.00 C ATOM 973 C CYS A 86 6.325 13.914 2.412 1.00 0.00 C ATOM 974 O CYS A 86 5.446 14.139 3.246 1.00 0.00 O ATOM 975 CB CYS A 86 7.230 11.626 1.944 1.00 0.00 C ATOM 976 SG CYS A 86 8.394 10.291 2.376 1.00 0.00 S ATOM 0 H CYS A 86 6.696 12.120 4.488 1.00 0.00 H new ATOM 0 HA CYS A 86 8.401 13.358 2.408 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.213 11.277 2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.313 11.833 0.877 1.00 0.00 H new ATOM 981 N GLY A 87 6.359 14.498 1.227 1.00 0.00 N ATOM 982 CA GLY A 87 5.340 15.449 0.843 1.00 0.00 C ATOM 983 C GLY A 87 4.064 14.779 0.380 1.00 0.00 C ATOM 984 O GLY A 87 3.912 13.560 0.503 1.00 0.00 O ATOM 0 H GLY A 87 7.076 14.330 0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.118 16.100 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.723 16.084 0.044 1.00 0.00 H new ATOM 988 N ASP A 88 3.162 15.583 -0.171 1.00 0.00 N ATOM 989 CA ASP A 88 1.846 15.119 -0.611 1.00 0.00 C ATOM 990 C ASP A 88 1.963 13.988 -1.629 1.00 0.00 C ATOM 991 O ASP A 88 2.922 13.929 -2.402 1.00 0.00 O ATOM 992 CB ASP A 88 1.058 16.277 -1.230 1.00 0.00 C ATOM 993 CG ASP A 88 0.887 17.444 -0.279 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.893 18.118 0.029 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.253 17.692 0.170 1.00 0.00 O ATOM 0 H ASP A 88 3.321 16.578 -0.327 1.00 0.00 H new ATOM 0 HA ASP A 88 1.321 14.741 0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.570 16.619 -2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.076 15.919 -1.539 1.00 0.00 H new ATOM 1000 N PRO A 89 0.985 13.070 -1.628 1.00 0.00 N ATOM 1001 CA PRO A 89 0.944 11.949 -2.563 1.00 0.00 C ATOM 1002 C PRO A 89 0.611 12.396 -3.984 1.00 0.00 C ATOM 1003 O PRO A 89 -0.501 12.858 -4.265 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.171 11.044 -2.021 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.527 11.589 -0.680 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.156 13.041 -0.707 1.00 0.00 C ATOM 0 HA PRO A 89 1.912 11.452 -2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.035 11.048 -2.686 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.168 10.011 -1.945 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.591 11.463 -0.478 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.012 11.064 0.109 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.978 13.662 -1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.115 13.407 0.283 1.00 0.00 H new ATOM 1014 N LEU A 90 1.585 12.251 -4.869 1.00 0.00 N ATOM 1015 CA LEU A 90 1.440 12.638 -6.265 1.00 0.00 C ATOM 1016 C LEU A 90 0.806 11.499 -7.055 1.00 0.00 C ATOM 1017 O LEU A 90 -0.036 11.718 -7.925 1.00 0.00 O ATOM 1018 CB LEU A 90 2.821 12.978 -6.851 1.00 0.00 C ATOM 1019 CG LEU A 90 2.842 14.014 -7.986 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.273 14.397 -8.329 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.144 13.483 -9.227 1.00 0.00 C ATOM 0 H LEU A 90 2.499 11.861 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 90 0.796 13.515 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.455 13.343 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.272 12.057 -7.220 1.00 0.00 H new ATOM 0 HG LEU A 90 2.306 14.897 -7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.270 15.131 -9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.756 14.824 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.820 13.510 -8.649 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.175 14.238 -10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.649 12.581 -9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.106 13.249 -8.989 1.00 0.00 H new ATOM 1033 N SER A 91 1.206 10.278 -6.737 1.00 0.00 N ATOM 1034 CA SER A 91 0.754 9.114 -7.478 1.00 0.00 C ATOM 1035 C SER A 91 0.558 7.918 -6.550 1.00 0.00 C ATOM 1036 O SER A 91 1.131 7.862 -5.460 1.00 0.00 O ATOM 1037 CB SER A 91 1.756 8.777 -8.583 1.00 0.00 C ATOM 1038 OG SER A 91 1.936 9.885 -9.449 1.00 0.00 O ATOM 0 H SER A 91 1.844 10.068 -5.969 1.00 0.00 H new ATOM 0 HA SER A 91 -0.209 9.346 -7.933 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.712 8.495 -8.141 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.402 7.917 -9.152 1.00 0.00 H new ATOM 0 HG SER A 91 2.581 9.652 -10.149 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.260 6.976 -6.995 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.585 5.784 -6.226 1.00 0.00 C ATOM 1046 C LEU A 92 -0.966 4.674 -7.202 1.00 0.00 C ATOM 1047 O LEU A 92 -1.080 4.924 -8.403 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.759 6.078 -5.276 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.134 4.965 -4.290 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.111 4.862 -3.170 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.524 5.202 -3.718 1.00 0.00 C ATOM 0 H LEU A 92 -0.720 7.017 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 92 0.273 5.476 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.519 6.974 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.637 6.310 -5.879 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.139 4.021 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.401 4.065 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.131 4.639 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.067 5.807 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.772 4.402 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.544 6.158 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.253 5.216 -4.528 1.00 0.00 H new ATOM 1063 N GLY A 93 -1.145 3.462 -6.705 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.633 2.390 -7.550 1.00 0.00 C ATOM 1065 C GLY A 93 -0.633 1.265 -7.691 1.00 0.00 C ATOM 1066 O GLY A 93 -0.137 0.758 -6.691 1.00 0.00 O ATOM 0 H GLY A 93 -0.963 3.200 -5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.561 1.997 -7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.869 2.788 -8.537 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.321 0.844 -8.925 1.00 0.00 N ATOM 1071 CA PRO A 94 0.632 -0.231 -9.171 1.00 0.00 C ATOM 1072 C PRO A 94 2.077 0.264 -9.225 1.00 0.00 C ATOM 1073 O PRO A 94 2.385 1.259 -9.889 1.00 0.00 O ATOM 1074 CB PRO A 94 0.190 -0.756 -10.535 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.341 0.444 -11.243 1.00 0.00 C ATOM 1076 CD PRO A 94 -0.886 1.371 -10.182 1.00 0.00 C ATOM 0 HA PRO A 94 0.630 -0.979 -8.379 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.024 -1.201 -11.078 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.573 -1.528 -10.435 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.446 0.934 -11.817 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.122 0.162 -11.949 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.579 2.402 -10.357 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -1.976 1.362 -10.165 1.00 0.00 H new ATOM 1084 N PHE A 95 2.961 -0.421 -8.521 1.00 0.00 N ATOM 1085 CA PHE A 95 4.376 -0.098 -8.564 1.00 0.00 C ATOM 1086 C PHE A 95 5.185 -1.347 -8.898 1.00 0.00 C ATOM 1087 O PHE A 95 5.406 -2.197 -8.032 1.00 0.00 O ATOM 1088 CB PHE A 95 4.836 0.493 -7.230 1.00 0.00 C ATOM 1089 CG PHE A 95 6.177 1.174 -7.297 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.283 2.473 -7.769 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.326 0.521 -6.883 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.511 3.107 -7.827 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.555 1.151 -6.942 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.648 2.444 -7.414 1.00 0.00 C ATOM 0 H PHE A 95 2.724 -1.205 -7.913 1.00 0.00 H new ATOM 0 HA PHE A 95 4.539 0.648 -9.342 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.091 1.211 -6.885 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.880 -0.303 -6.487 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.396 2.996 -8.095 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.261 -0.491 -6.510 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.580 4.120 -8.195 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.444 0.630 -6.618 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.608 2.936 -7.460 1.00 0.00 H new ATOM 1104 N LEU A 96 5.590 -1.451 -10.169 1.00 0.00 N ATOM 1105 CA LEU A 96 6.386 -2.576 -10.675 1.00 0.00 C ATOM 1106 C LEU A 96 5.528 -3.829 -10.845 1.00 0.00 C ATOM 1107 O LEU A 96 4.403 -3.909 -10.347 1.00 0.00 O ATOM 1108 CB LEU A 96 7.586 -2.871 -9.761 1.00 0.00 C ATOM 1109 CG LEU A 96 8.607 -1.735 -9.640 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.749 -2.136 -8.718 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.141 -1.344 -11.011 1.00 0.00 C ATOM 0 H LEU A 96 5.373 -0.753 -10.880 1.00 0.00 H new ATOM 0 HA LEU A 96 6.768 -2.286 -11.654 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.214 -3.111 -8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.097 -3.759 -10.133 1.00 0.00 H new ATOM 0 HG LEU A 96 8.104 -0.870 -9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.463 -1.316 -8.645 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.355 -2.362 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.249 -3.018 -9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.864 -0.536 -10.903 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.625 -2.205 -11.472 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.316 -1.011 -11.641 1.00 0.00 H new ATOM 1123 N LYS A 97 6.063 -4.804 -11.565 1.00 0.00 N ATOM 1124 CA LYS A 97 5.355 -6.048 -11.818 1.00 0.00 C ATOM 1125 C LYS A 97 5.924 -7.140 -10.920 1.00 0.00 C ATOM 1126 O LYS A 97 6.765 -7.940 -11.334 1.00 0.00 O ATOM 1127 CB LYS A 97 5.456 -6.431 -13.300 1.00 0.00 C ATOM 1128 CG LYS A 97 4.651 -7.665 -13.669 1.00 0.00 C ATOM 1129 CD LYS A 97 4.633 -7.904 -15.172 1.00 0.00 C ATOM 1130 CE LYS A 97 3.879 -6.803 -15.906 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.735 -7.103 -17.357 1.00 0.00 N ATOM 0 H LYS A 97 6.991 -4.756 -11.986 1.00 0.00 H new ATOM 0 HA LYS A 97 4.297 -5.922 -11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.116 -5.592 -13.907 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.503 -6.603 -13.551 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.073 -8.536 -13.168 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.629 -7.553 -13.307 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.656 -7.956 -15.545 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.168 -8.867 -15.382 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.892 -6.680 -15.461 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.405 -5.857 -15.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.217 -6.330 -17.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.677 -7.196 -17.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.211 -7.993 -17.477 1.00 0.00 H new ATOM 1144 N THR A 98 5.454 -7.134 -9.681 1.00 0.00 N ATOM 1145 CA THR A 98 5.987 -7.975 -8.621 1.00 0.00 C ATOM 1146 C THR A 98 5.922 -9.462 -8.961 1.00 0.00 C ATOM 1147 O THR A 98 6.956 -10.134 -8.996 1.00 0.00 O ATOM 1148 CB THR A 98 5.204 -7.720 -7.322 1.00 0.00 C ATOM 1149 OG1 THR A 98 4.818 -6.337 -7.267 1.00 0.00 O ATOM 1150 CG2 THR A 98 6.043 -8.069 -6.098 1.00 0.00 C ATOM 0 H THR A 98 4.683 -6.538 -9.381 1.00 0.00 H new ATOM 0 HA THR A 98 7.038 -7.712 -8.499 1.00 0.00 H new ATOM 0 HB THR A 98 4.319 -8.356 -7.318 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.615 -6.091 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.464 -7.879 -5.194 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.321 -9.122 -6.136 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.944 -7.456 -6.088 1.00 0.00 H new ATOM 1158 N TYR A 99 4.717 -9.967 -9.223 1.00 0.00 N ATOM 1159 CA TYR A 99 4.516 -11.405 -9.423 1.00 0.00 C ATOM 1160 C TYR A 99 5.098 -12.198 -8.256 1.00 0.00 C ATOM 1161 O TYR A 99 5.911 -13.103 -8.441 1.00 0.00 O ATOM 1162 CB TYR A 99 5.141 -11.871 -10.741 1.00 0.00 C ATOM 1163 CG TYR A 99 4.161 -11.931 -11.891 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.847 -10.797 -12.627 1.00 0.00 C ATOM 1165 CD2 TYR A 99 3.543 -13.127 -12.236 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.944 -10.853 -13.672 1.00 0.00 C ATOM 1167 CE2 TYR A 99 2.640 -13.190 -13.279 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.344 -12.050 -13.993 1.00 0.00 C ATOM 1169 OH TYR A 99 1.444 -12.107 -15.033 1.00 0.00 O ATOM 0 H TYR A 99 3.868 -9.407 -9.302 1.00 0.00 H new ATOM 0 HA TYR A 99 3.442 -11.587 -9.470 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.956 -11.197 -11.005 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.578 -12.859 -10.596 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.316 -9.856 -12.379 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.773 -14.023 -11.679 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.710 -9.961 -14.235 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.169 -14.128 -13.533 1.00 0.00 H new ATOM 0 HH TYR A 99 1.113 -13.024 -15.129 1.00 0.00 H new ATOM 1179 N THR A 100 4.696 -11.834 -7.048 1.00 0.00 N ATOM 1180 CA THR A 100 5.175 -12.501 -5.849 1.00 0.00 C ATOM 1181 C THR A 100 4.052 -12.606 -4.818 1.00 0.00 C ATOM 1182 O THR A 100 3.877 -11.720 -3.977 1.00 0.00 O ATOM 1183 CB THR A 100 6.380 -11.750 -5.241 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.350 -11.477 -6.260 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.033 -12.567 -4.136 1.00 0.00 C ATOM 0 H THR A 100 4.036 -11.076 -6.873 1.00 0.00 H new ATOM 0 HA THR A 100 5.500 -13.503 -6.127 1.00 0.00 H new ATOM 0 HB THR A 100 6.014 -10.815 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.111 -10.999 -5.868 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.878 -12.014 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.306 -12.757 -3.346 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.383 -13.516 -4.543 1.00 0.00 H new ATOM 1193 N PRO A 101 3.256 -13.684 -4.892 1.00 0.00 N ATOM 1194 CA PRO A 101 2.124 -13.890 -3.987 1.00 0.00 C ATOM 1195 C PRO A 101 2.568 -14.155 -2.549 1.00 0.00 C ATOM 1196 O PRO A 101 1.899 -13.759 -1.600 1.00 0.00 O ATOM 1197 CB PRO A 101 1.414 -15.115 -4.570 1.00 0.00 C ATOM 1198 CG PRO A 101 2.461 -15.837 -5.345 1.00 0.00 C ATOM 1199 CD PRO A 101 3.389 -14.780 -5.873 1.00 0.00 C ATOM 0 HA PRO A 101 1.488 -13.007 -3.926 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.003 -15.745 -3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.582 -14.821 -5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.996 -16.545 -4.712 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.018 -16.409 -6.160 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.416 -15.141 -5.935 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.103 -14.459 -6.875 1.00 0.00 H new ATOM 1207 N GLN A 102 3.729 -14.780 -2.398 1.00 0.00 N ATOM 1208 CA GLN A 102 4.235 -15.174 -1.085 1.00 0.00 C ATOM 1209 C GLN A 102 4.930 -13.994 -0.395 1.00 0.00 C ATOM 1210 O GLN A 102 5.972 -14.144 0.242 1.00 0.00 O ATOM 1211 CB GLN A 102 5.190 -16.364 -1.239 1.00 0.00 C ATOM 1212 CG GLN A 102 5.526 -17.064 0.069 1.00 0.00 C ATOM 1213 CD GLN A 102 4.303 -17.625 0.769 1.00 0.00 C ATOM 1214 OE1 GLN A 102 3.326 -18.020 0.130 1.00 0.00 O ATOM 1215 NE2 GLN A 102 4.345 -17.661 2.090 1.00 0.00 N ATOM 0 H GLN A 102 4.343 -15.027 -3.174 1.00 0.00 H new ATOM 0 HA GLN A 102 3.398 -15.476 -0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.745 -17.087 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.114 -16.017 -1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.229 -17.873 -0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.028 -16.361 0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.172 -17.325 2.583 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.550 -18.025 2.616 1.00 0.00 H new ATOM 1224 N SER A 103 4.335 -12.818 -0.536 1.00 0.00 N ATOM 1225 CA SER A 103 4.850 -11.594 0.068 1.00 0.00 C ATOM 1226 C SER A 103 3.762 -10.528 0.098 1.00 0.00 C ATOM 1227 O SER A 103 3.739 -9.666 0.978 1.00 0.00 O ATOM 1228 CB SER A 103 6.061 -11.055 -0.711 1.00 0.00 C ATOM 1229 OG SER A 103 7.135 -11.981 -0.727 1.00 0.00 O ATOM 0 H SER A 103 3.479 -12.684 -1.074 1.00 0.00 H new ATOM 0 HA SER A 103 5.165 -11.832 1.084 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.762 -10.828 -1.734 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.395 -10.120 -0.261 1.00 0.00 H new ATOM 0 HG SER A 103 6.971 -12.684 -0.064 1.00 0.00 H new ATOM 1235 N SER A 104 2.853 -10.598 -0.866 1.00 0.00 N ATOM 1236 CA SER A 104 1.834 -9.579 -1.023 1.00 0.00 C ATOM 1237 C SER A 104 0.498 -10.014 -0.410 1.00 0.00 C ATOM 1238 O SER A 104 0.177 -11.204 -0.351 1.00 0.00 O ATOM 1239 CB SER A 104 1.675 -9.254 -2.509 1.00 0.00 C ATOM 1240 OG SER A 104 1.576 -10.440 -3.280 1.00 0.00 O ATOM 0 H SER A 104 2.804 -11.353 -1.550 1.00 0.00 H new ATOM 0 HA SER A 104 2.149 -8.684 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.785 -8.643 -2.658 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.526 -8.665 -2.849 1.00 0.00 H new ATOM 0 HG SER A 104 2.473 -10.799 -3.444 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.263 -9.034 0.055 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.571 -9.273 0.648 1.00 0.00 C ATOM 1248 C ILE A 105 -2.639 -8.458 -0.080 1.00 0.00 C ATOM 1249 O ILE A 105 -2.367 -7.362 -0.580 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.596 -8.909 2.153 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.063 -7.488 2.358 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.795 -9.918 2.972 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.077 -7.024 3.794 1.00 0.00 C ATOM 0 H ILE A 105 0.009 -8.051 0.032 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.780 -10.338 0.547 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.628 -8.946 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.041 -7.437 1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.658 -6.799 1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.828 -9.640 4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.224 -10.912 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.240 -9.924 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.684 -6.009 3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.099 -7.040 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.458 -7.688 4.397 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.846 -8.998 -0.146 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.967 -8.311 -0.771 1.00 0.00 C ATOM 1267 C ILE A 106 -6.062 -8.063 0.257 1.00 0.00 C ATOM 1268 O ILE A 106 -6.580 -9.000 0.865 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.542 -9.112 -1.965 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.536 -9.126 -3.113 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -6.870 -8.524 -2.431 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -4.974 -9.957 -4.302 1.00 0.00 C ATOM 0 H ILE A 106 -4.076 -9.918 0.229 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.598 -7.360 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.725 -10.135 -1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.361 -8.102 -3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.584 -9.509 -2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.251 -9.106 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.589 -8.555 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.721 -7.491 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.207 -9.917 -5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.121 -10.991 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.909 -9.561 -4.698 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.394 -6.804 0.462 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.407 -6.433 1.438 1.00 0.00 C ATOM 1286 C CYS A 107 -8.768 -6.271 0.769 1.00 0.00 C ATOM 1287 O CYS A 107 -8.852 -5.973 -0.420 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.004 -5.136 2.147 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.404 -5.237 3.011 1.00 0.00 S ATOM 0 H CYS A 107 -5.977 -6.016 -0.034 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.484 -7.230 2.177 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.960 -4.331 1.414 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.779 -4.870 2.866 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.827 -6.489 1.529 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.182 -6.292 1.042 1.00 0.00 C ATOM 1296 C TYR A 108 -11.973 -5.428 2.012 1.00 0.00 C ATOM 1297 O TYR A 108 -11.602 -5.297 3.179 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.886 -7.633 0.814 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.574 -8.249 -0.530 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -12.163 -7.754 -1.685 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.688 -9.314 -0.650 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.883 -8.301 -2.919 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.403 -9.866 -1.884 1.00 0.00 C ATOM 1304 CZ TYR A 108 -11.004 -9.355 -3.016 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.727 -9.900 -4.248 1.00 0.00 O ATOM 0 H TYR A 108 -9.773 -6.806 2.497 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.127 -5.777 0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.594 -8.328 1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.963 -7.489 0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.853 -6.926 -1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.216 -9.716 0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.352 -7.903 -3.807 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.713 -10.693 -1.962 1.00 0.00 H new ATOM 0 HH TYR A 108 -10.087 -10.635 -4.144 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.057 -4.841 1.525 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.841 -3.933 2.336 1.00 0.00 C ATOM 1317 C GLY A 109 -13.923 -2.554 1.713 1.00 0.00 C ATOM 1318 O GLY A 109 -13.993 -2.424 0.488 1.00 0.00 O ATOM 0 H GLY A 109 -13.409 -4.979 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.846 -4.335 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.399 -3.858 3.329 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.908 -1.528 2.548 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.978 -0.156 2.074 1.00 0.00 C ATOM 1324 C GLN A 110 -12.570 0.390 1.839 1.00 0.00 C ATOM 1325 O GLN A 110 -11.627 -0.004 2.523 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.726 0.704 3.093 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.028 2.109 2.603 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.787 2.111 1.290 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -15.187 2.141 0.213 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -17.104 2.061 1.369 1.00 0.00 N ATOM 0 H GLN A 110 -13.848 -1.620 3.562 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.519 -0.129 1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -15.662 0.211 3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.134 0.767 4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.611 2.637 3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.094 2.657 2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.560 2.038 2.281 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.666 2.046 0.518 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.442 1.287 0.864 1.00 0.00 N ATOM 1340 CA LEU A 111 -11.152 1.872 0.496 1.00 0.00 C ATOM 1341 C LEU A 111 -10.438 2.465 1.709 1.00 0.00 C ATOM 1342 O LEU A 111 -10.899 3.444 2.296 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.363 2.962 -0.563 1.00 0.00 C ATOM 1344 CG LEU A 111 -10.099 3.707 -1.017 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -9.162 2.780 -1.776 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.470 4.914 -1.870 1.00 0.00 C ATOM 0 H LEU A 111 -13.226 1.629 0.308 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.525 1.077 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.828 2.507 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.071 3.692 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.575 4.059 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.275 3.333 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.867 1.953 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.672 2.389 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.563 5.431 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.021 4.582 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.092 5.594 -1.288 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.314 1.859 2.078 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.536 2.349 3.203 1.00 0.00 C ATOM 1360 C GLY A 112 -8.684 1.476 4.434 1.00 0.00 C ATOM 1361 O GLY A 112 -7.945 1.631 5.407 1.00 0.00 O ATOM 0 H GLY A 112 -8.927 1.035 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.484 2.398 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.849 3.365 3.442 1.00 0.00 H new ATOM 1365 N SER A 113 -9.638 0.557 4.390 1.00 0.00 N ATOM 1366 CA SER A 113 -9.899 -0.333 5.509 1.00 0.00 C ATOM 1367 C SER A 113 -9.055 -1.603 5.389 1.00 0.00 C ATOM 1368 O SER A 113 -9.311 -2.459 4.546 1.00 0.00 O ATOM 1369 CB SER A 113 -11.391 -0.682 5.566 1.00 0.00 C ATOM 1370 OG SER A 113 -11.729 -1.341 6.775 1.00 0.00 O ATOM 0 H SER A 113 -10.247 0.409 3.585 1.00 0.00 H new ATOM 0 HA SER A 113 -9.624 0.175 6.433 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.982 0.229 5.470 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.648 -1.319 4.720 1.00 0.00 H new ATOM 0 HG SER A 113 -12.687 -1.547 6.778 1.00 0.00 H new ATOM 1376 N PHE A 114 -8.047 -1.710 6.240 1.00 0.00 N ATOM 1377 CA PHE A 114 -7.165 -2.874 6.263 1.00 0.00 C ATOM 1378 C PHE A 114 -7.662 -3.881 7.292 1.00 0.00 C ATOM 1379 O PHE A 114 -6.876 -4.554 7.955 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.727 -2.458 6.600 1.00 0.00 C ATOM 1381 CG PHE A 114 -5.018 -1.719 5.498 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -5.139 -0.342 5.372 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.222 -2.401 4.590 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.482 0.335 4.363 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.562 -1.726 3.581 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.691 -0.357 3.467 1.00 0.00 C ATOM 0 H PHE A 114 -7.815 -0.998 6.933 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.173 -3.332 5.274 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.743 -1.829 7.490 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -5.153 -3.350 6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.754 0.206 6.071 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.117 -3.473 4.673 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.587 1.406 4.275 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.945 -2.270 2.881 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.175 0.172 2.679 1.00 0.00 H new ATOM 1396 N SER A 115 -8.975 -3.969 7.419 1.00 0.00 N ATOM 1397 CA SER A 115 -9.594 -4.810 8.427 1.00 0.00 C ATOM 1398 C SER A 115 -9.635 -6.271 7.980 1.00 0.00 C ATOM 1399 O SER A 115 -9.488 -7.185 8.790 1.00 0.00 O ATOM 1400 CB SER A 115 -11.003 -4.298 8.712 1.00 0.00 C ATOM 1401 OG SER A 115 -10.989 -2.892 8.911 1.00 0.00 O ATOM 0 H SER A 115 -9.637 -3.463 6.831 1.00 0.00 H new ATOM 0 HA SER A 115 -8.998 -4.763 9.338 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.662 -4.547 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.404 -4.793 9.596 1.00 0.00 H new ATOM 0 HG SER A 115 -11.388 -2.448 8.134 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.826 -6.488 6.685 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.870 -7.837 6.141 1.00 0.00 C ATOM 1409 C ASN A 116 -8.881 -7.967 4.996 1.00 0.00 C ATOM 1410 O ASN A 116 -9.154 -7.530 3.883 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.279 -8.190 5.647 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.382 -9.633 5.184 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.171 -9.944 4.011 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -11.713 -10.522 6.106 1.00 0.00 N ATOM 0 H ASN A 116 -9.953 -5.748 5.994 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.601 -8.531 6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.997 -8.016 6.448 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.551 -7.527 4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.802 -11.507 5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.879 -10.223 7.067 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.727 -8.545 5.272 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.730 -8.747 4.239 1.00 0.00 C ATOM 1423 C CYS A 117 -6.353 -10.221 4.158 1.00 0.00 C ATOM 1424 O CYS A 117 -6.187 -10.886 5.183 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.494 -7.884 4.510 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.862 -6.118 4.783 1.00 0.00 S ATOM 0 H CYS A 117 -7.458 -8.881 6.197 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.150 -8.444 3.280 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.976 -8.275 5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.809 -7.975 3.667 1.00 0.00 H new ATOM 1431 N SER A 118 -6.254 -10.729 2.940 1.00 0.00 N ATOM 1432 CA SER A 118 -5.910 -12.121 2.709 1.00 0.00 C ATOM 1433 C SER A 118 -4.562 -12.215 2.011 1.00 0.00 C ATOM 1434 O SER A 118 -4.210 -11.351 1.208 1.00 0.00 O ATOM 1435 CB SER A 118 -6.995 -12.784 1.859 1.00 0.00 C ATOM 1436 OG SER A 118 -8.268 -12.651 2.473 1.00 0.00 O ATOM 0 H SER A 118 -6.409 -10.190 2.088 1.00 0.00 H new ATOM 0 HA SER A 118 -5.843 -12.639 3.666 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.015 -12.330 0.868 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.761 -13.840 1.721 1.00 0.00 H new ATOM 0 HG SER A 118 -8.948 -13.080 1.913 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.805 -13.251 2.333 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.515 -13.472 1.703 1.00 0.00 C ATOM 1444 C HIS A 119 -2.729 -13.930 0.267 1.00 0.00 C ATOM 1445 O HIS A 119 -3.454 -14.896 0.023 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.710 -14.511 2.482 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.293 -14.647 2.021 1.00 0.00 C ATOM 1448 ND1 HIS A 119 0.809 -13.929 2.333 1.00 0.00 N flip ATOM 1449 CD2 HIS A 119 0.122 -15.621 1.140 1.00 0.00 C flip ATOM 1450 CE1 HIS A 119 1.859 -14.480 1.643 1.00 0.00 C flip ATOM 1451 NE2 HIS A 119 1.416 -15.501 0.933 1.00 0.00 N flip ATOM 0 H HIS A 119 -4.062 -13.952 3.028 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.950 -12.540 1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.714 -14.243 3.538 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.204 -15.479 2.397 1.00 0.00 H new ATOM 0 HD1 HIS A 119 0.852 -13.128 2.963 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -0.515 -16.367 0.689 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.882 -14.135 1.675 1.00 0.00 H new ATOM 1459 N SER A 120 -2.097 -13.239 -0.671 1.00 0.00 N ATOM 1460 CA SER A 120 -2.325 -13.484 -2.086 1.00 0.00 C ATOM 1461 C SER A 120 -1.801 -14.853 -2.492 1.00 0.00 C ATOM 1462 O SER A 120 -0.659 -15.206 -2.203 1.00 0.00 O ATOM 1463 CB SER A 120 -1.658 -12.397 -2.936 1.00 0.00 C ATOM 1464 OG SER A 120 -2.000 -12.537 -4.306 1.00 0.00 O ATOM 0 H SER A 120 -1.420 -12.502 -0.475 1.00 0.00 H new ATOM 0 HA SER A 120 -3.401 -13.458 -2.260 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.965 -11.414 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.576 -12.454 -2.821 1.00 0.00 H new ATOM 0 HG SER A 120 -1.252 -12.946 -4.790 1.00 0.00 H new ATOM 1470 N ARG A 121 -2.647 -15.629 -3.149 1.00 0.00 N ATOM 1471 CA ARG A 121 -2.241 -16.922 -3.668 1.00 0.00 C ATOM 1472 C ARG A 121 -2.096 -16.838 -5.186 1.00 0.00 C ATOM 1473 O ARG A 121 -1.848 -17.833 -5.869 1.00 0.00 O ATOM 1474 CB ARG A 121 -3.259 -17.998 -3.273 1.00 0.00 C ATOM 1475 CG ARG A 121 -2.824 -19.411 -3.630 1.00 0.00 C ATOM 1476 CD ARG A 121 -1.492 -19.770 -2.982 1.00 0.00 C ATOM 1477 NE ARG A 121 -0.873 -20.930 -3.617 1.00 0.00 N ATOM 1478 CZ ARG A 121 -0.649 -22.083 -2.999 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -1.026 -22.248 -1.740 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -0.051 -23.074 -3.636 1.00 0.00 N ATOM 0 H ARG A 121 -3.620 -15.385 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 121 -1.278 -17.199 -3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.435 -17.942 -2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.209 -17.785 -3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.588 -20.119 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.739 -19.503 -4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.816 -18.917 -3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.647 -19.976 -1.923 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.596 -20.849 -4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.490 -21.488 -1.243 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.852 -23.135 -1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.240 -22.954 -4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.119 -23.959 -3.158 1.00 0.00 H new ATOM 1493 N ASN A 122 -2.225 -15.629 -5.709 1.00 0.00 N ATOM 1494 CA ASN A 122 -2.180 -15.418 -7.147 1.00 0.00 C ATOM 1495 C ASN A 122 -0.933 -14.633 -7.531 1.00 0.00 C ATOM 1496 O ASN A 122 -0.613 -13.612 -6.924 1.00 0.00 O ATOM 1497 CB ASN A 122 -3.435 -14.682 -7.623 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.567 -14.684 -9.133 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -3.083 -15.595 -9.810 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.218 -13.668 -9.672 1.00 0.00 N ATOM 0 H ASN A 122 -2.361 -14.780 -5.160 1.00 0.00 H new ATOM 0 HA ASN A 122 -2.144 -16.392 -7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.316 -15.149 -7.183 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -3.408 -13.653 -7.265 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.336 -13.617 -10.684 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.603 -12.935 -9.076 1.00 0.00 H new ATOM 1507 N ASP A 123 -0.228 -15.137 -8.538 1.00 0.00 N ATOM 1508 CA ASP A 123 1.005 -14.520 -9.020 1.00 0.00 C ATOM 1509 C ASP A 123 0.739 -13.189 -9.713 1.00 0.00 C ATOM 1510 O ASP A 123 1.592 -12.301 -9.705 1.00 0.00 O ATOM 1511 CB ASP A 123 1.741 -15.467 -9.976 1.00 0.00 C ATOM 1512 CG ASP A 123 0.819 -16.104 -10.998 1.00 0.00 C ATOM 1513 OD1 ASP A 123 0.588 -15.504 -12.062 1.00 0.00 O ATOM 1514 OD2 ASP A 123 0.315 -17.215 -10.729 1.00 0.00 O ATOM 0 H ASP A 123 -0.493 -15.983 -9.043 1.00 0.00 H new ATOM 0 HA ASP A 123 1.632 -14.326 -8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.525 -14.915 -10.495 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.232 -16.250 -9.398 1.00 0.00 H new ATOM 1519 N MET A 124 -0.441 -13.049 -10.307 1.00 0.00 N ATOM 1520 CA MET A 124 -0.815 -11.804 -10.969 1.00 0.00 C ATOM 1521 C MET A 124 -1.182 -10.739 -9.941 1.00 0.00 C ATOM 1522 O MET A 124 -2.353 -10.411 -9.750 1.00 0.00 O ATOM 1523 CB MET A 124 -1.976 -12.017 -11.945 1.00 0.00 C ATOM 1524 CG MET A 124 -1.602 -12.808 -13.191 1.00 0.00 C ATOM 1525 SD MET A 124 -2.953 -12.890 -14.385 1.00 0.00 S ATOM 1526 CE MET A 124 -3.211 -11.146 -14.715 1.00 0.00 C ATOM 0 H MET A 124 -1.153 -13.779 -10.344 1.00 0.00 H new ATOM 0 HA MET A 124 0.048 -11.462 -11.540 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.782 -12.536 -11.426 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.365 -11.045 -12.248 1.00 0.00 H new ATOM 0 HG2 MET A 124 -0.732 -12.350 -13.662 1.00 0.00 H new ATOM 0 HG3 MET A 124 -1.313 -13.819 -12.903 1.00 0.00 H new ATOM 0 HE1 MET A 124 -3.627 -11.023 -15.715 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.904 -10.735 -13.981 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.259 -10.619 -14.650 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.168 -10.215 -9.276 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.349 -9.157 -8.302 1.00 0.00 C ATOM 1538 C CYS A 125 0.699 -8.074 -8.500 1.00 0.00 C ATOM 1539 O CYS A 125 1.901 -8.355 -8.577 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.273 -9.710 -6.873 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.015 -8.436 -5.590 1.00 0.00 S ATOM 0 H CYS A 125 0.801 -10.511 -9.396 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.338 -8.724 -8.450 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.195 -10.248 -6.654 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.540 -10.434 -6.818 1.00 0.00 H new ATOM 1546 N HIS A 126 0.234 -6.843 -8.621 1.00 0.00 N ATOM 1547 CA HIS A 126 1.116 -5.695 -8.681 1.00 0.00 C ATOM 1548 C HIS A 126 1.084 -4.969 -7.347 1.00 0.00 C ATOM 1549 O HIS A 126 0.015 -4.559 -6.884 1.00 0.00 O ATOM 1550 CB HIS A 126 0.701 -4.745 -9.810 1.00 0.00 C ATOM 1551 CG HIS A 126 1.018 -5.262 -11.183 1.00 0.00 C ATOM 1552 ND1 HIS A 126 1.718 -4.532 -12.121 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.728 -6.445 -11.777 1.00 0.00 C ATOM 1554 CE1 HIS A 126 1.846 -5.241 -13.226 1.00 0.00 C ATOM 1555 NE2 HIS A 126 1.254 -6.405 -13.045 1.00 0.00 N ATOM 0 H HIS A 126 -0.758 -6.614 -8.680 1.00 0.00 H new ATOM 0 HA HIS A 126 2.130 -6.039 -8.887 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.371 -4.559 -9.740 1.00 0.00 H new ATOM 0 HB3 HIS A 126 1.201 -3.787 -9.668 1.00 0.00 H new ATOM 0 HD2 HIS A 126 0.184 -7.267 -11.335 1.00 0.00 H new ATOM 0 HE1 HIS A 126 2.350 -4.922 -14.126 1.00 0.00 H new ATOM 0 HE2 HIS A 126 1.196 -7.154 -13.735 1.00 0.00 H new ATOM 1563 N SER A 127 2.244 -4.839 -6.718 1.00 0.00 N ATOM 1564 CA SER A 127 2.342 -4.191 -5.418 1.00 0.00 C ATOM 1565 C SER A 127 1.844 -2.756 -5.490 1.00 0.00 C ATOM 1566 O SER A 127 2.045 -2.066 -6.491 1.00 0.00 O ATOM 1567 CB SER A 127 3.790 -4.219 -4.930 1.00 0.00 C ATOM 1568 OG SER A 127 4.247 -5.554 -4.807 1.00 0.00 O ATOM 0 H SER A 127 3.133 -5.175 -7.089 1.00 0.00 H new ATOM 0 HA SER A 127 1.715 -4.736 -4.713 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.426 -3.674 -5.628 1.00 0.00 H new ATOM 0 HB3 SER A 127 3.865 -3.713 -3.968 1.00 0.00 H new ATOM 0 HG SER A 127 3.686 -6.034 -4.162 1.00 0.00 H new ATOM 1574 N LEU A 128 1.176 -2.327 -4.432 1.00 0.00 N ATOM 1575 CA LEU A 128 0.652 -0.980 -4.357 1.00 0.00 C ATOM 1576 C LEU A 128 1.793 -0.001 -4.119 1.00 0.00 C ATOM 1577 O LEU A 128 2.515 -0.098 -3.124 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.400 -0.882 -3.245 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.216 0.417 -3.213 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.588 0.158 -2.616 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.493 1.481 -2.403 1.00 0.00 C ATOM 0 H LEU A 128 0.985 -2.899 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 128 0.168 -0.726 -5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.089 -1.720 -3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.102 -0.998 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.333 0.775 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.158 1.087 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.115 -0.580 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.477 -0.219 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -1.086 2.395 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.351 1.127 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.478 1.685 -2.854 1.00 0.00 H new ATOM 1593 N GLY A 129 1.955 0.924 -5.048 1.00 0.00 N ATOM 1594 CA GLY A 129 3.013 1.898 -4.949 1.00 0.00 C ATOM 1595 C GLY A 129 2.489 3.255 -4.560 1.00 0.00 C ATOM 1596 O GLY A 129 1.350 3.602 -4.877 1.00 0.00 O ATOM 0 H GLY A 129 1.366 1.017 -5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.745 1.566 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.532 1.969 -5.905 1.00 0.00 H new ATOM 1600 N LEU A 130 3.311 4.014 -3.866 1.00 0.00 N ATOM 1601 CA LEU A 130 2.928 5.335 -3.415 1.00 0.00 C ATOM 1602 C LEU A 130 4.041 6.327 -3.723 1.00 0.00 C ATOM 1603 O LEU A 130 5.183 6.142 -3.301 1.00 0.00 O ATOM 1604 CB LEU A 130 2.629 5.297 -1.912 1.00 0.00 C ATOM 1605 CG LEU A 130 2.247 6.631 -1.266 1.00 0.00 C ATOM 1606 CD1 LEU A 130 1.005 7.222 -1.921 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.025 6.441 0.226 1.00 0.00 C ATOM 0 H LEU A 130 4.256 3.736 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 130 2.028 5.656 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.818 4.589 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.507 4.906 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 130 3.068 7.333 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.757 8.169 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.198 7.391 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.171 6.530 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.754 7.395 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.221 5.722 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.941 6.069 0.686 1.00 0.00 H new ATOM 1619 N THR A 131 3.714 7.355 -4.491 1.00 0.00 N ATOM 1620 CA THR A 131 4.682 8.373 -4.857 1.00 0.00 C ATOM 1621 C THR A 131 4.391 9.674 -4.122 1.00 0.00 C ATOM 1622 O THR A 131 3.542 10.461 -4.539 1.00 0.00 O ATOM 1623 CB THR A 131 4.667 8.631 -6.376 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.804 7.391 -7.077 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.790 9.574 -6.784 1.00 0.00 C ATOM 0 H THR A 131 2.780 7.505 -4.874 1.00 0.00 H new ATOM 0 HA THR A 131 5.669 8.008 -4.572 1.00 0.00 H new ATOM 0 HB THR A 131 3.716 9.098 -6.633 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.792 7.558 -8.043 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.754 9.738 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.671 10.527 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.750 9.134 -6.515 1.00 0.00 H new ATOM 1633 N CYS A 132 5.083 9.882 -3.021 1.00 0.00 N ATOM 1634 CA CYS A 132 4.950 11.104 -2.250 1.00 0.00 C ATOM 1635 C CYS A 132 6.025 12.087 -2.696 1.00 0.00 C ATOM 1636 O CYS A 132 7.115 11.669 -3.090 1.00 0.00 O ATOM 1637 CB CYS A 132 5.103 10.792 -0.760 1.00 0.00 C ATOM 1638 SG CYS A 132 4.249 9.271 -0.233 1.00 0.00 S ATOM 0 H CYS A 132 5.750 9.214 -2.636 1.00 0.00 H new ATOM 0 HA CYS A 132 3.966 11.544 -2.414 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.163 10.702 -0.525 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.718 11.632 -0.182 1.00 0.00 H new ATOM 1643 N LEU A 133 5.712 13.381 -2.671 1.00 0.00 N ATOM 1644 CA LEU A 133 6.673 14.407 -3.065 1.00 0.00 C ATOM 1645 C LEU A 133 7.905 14.375 -2.162 1.00 0.00 C ATOM 1646 O LEU A 133 7.893 14.916 -1.056 1.00 0.00 O ATOM 1647 CB LEU A 133 6.027 15.797 -3.018 1.00 0.00 C ATOM 1648 CG LEU A 133 4.974 16.067 -4.094 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.311 17.414 -3.861 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.603 16.025 -5.478 1.00 0.00 C ATOM 0 H LEU A 133 4.803 13.742 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 133 6.986 14.197 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.565 15.932 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.813 16.547 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 133 4.214 15.288 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.564 17.591 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.828 17.418 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.064 18.201 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 133 4.839 16.219 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.382 16.784 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.040 15.041 -5.650 1.00 0.00 H new ATOM 1662 N GLU A 134 8.954 13.730 -2.640 1.00 0.00 N ATOM 1663 CA GLU A 134 10.188 13.599 -1.881 1.00 0.00 C ATOM 1664 C GLU A 134 11.120 14.760 -2.201 1.00 0.00 C ATOM 1665 O GLU A 134 11.699 14.768 -3.308 1.00 0.00 O ATOM 1666 CB GLU A 134 10.874 12.270 -2.209 1.00 0.00 C ATOM 1667 CG GLU A 134 12.114 12.000 -1.376 1.00 0.00 C ATOM 1668 CD GLU A 134 12.910 10.822 -1.890 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.539 9.662 -1.602 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.912 11.047 -2.601 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.263 15.661 -1.347 1.00 0.00 O ATOM 0 H GLU A 134 8.977 13.285 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 134 9.950 13.616 -0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.163 11.458 -2.059 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.148 12.263 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.746 12.888 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.821 11.813 -0.343 1.00 0.00 H new