USER MOD reduce.3.24.130724 H: found=0, std=0, add=1293, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1293 hydrogens (26 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 48 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 170 NDP O2D : rot 180:sc= 0.128 USER MOD Set 2.1: A 112 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 159 GLN : amide:sc= -0.0346 X(o=-0.035,f=-0.1) USER MOD Single : A 1 THR N :NH3+ 144:sc= 0.492 (180deg=0.023) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 7 GLN : amide:sc= -5.74! C(o=-5.7!,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.221 F(o=-1.1,f=-0.22) USER MOD Single : A 22 HIS : no HD1:sc=-0.00552 X(o=-0.0055,f=-0.087) USER MOD Single : A 28 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.24) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.564 K(o=-0.56,f=-1.7) USER MOD Single : A 34 THR OG1 : rot 3:sc= 0.71 USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= 0.795 (180deg=-0.148) USER MOD Single : A 39 MET CE :methyl 158:sc= -1.04 (180deg=-1.43) USER MOD Single : A 45 THR OG1 : rot 120:sc= -0.909 USER MOD Single : A 46 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -130:sc= -1.22 USER MOD Single : A 59 ASN :FLIP amide:sc= -1.37 F(o=-2,f=-1.4) USER MOD Single : A 63 THR OG1 : rot 109:sc= -0.481 USER MOD Single : A 64 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.017) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -3.16 K(o=-3.2,f=-7.5!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= -0.0112 (180deg=-0.194) USER MOD Single : A 88 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.38) USER MOD Single : A 89 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 150:sc= -2.11 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 106:sc= 0.855 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl -158:sc= -0.0553 (180deg=-0.329) USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 SER OG : rot 180:sc= -0.232 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 ASN : amide:sc= -1.37 K(o=-1.4,f=-4.3!) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.859 USER MOD Single : A 153 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-2.8!) USER MOD Single : A 154 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 TYR OH : rot 5:sc= 0.895 USER MOD Single : A 160 LYS NZ :NH3+ -114:sc= 0.733 (180deg=-0.00269) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 NDP O3B : rot 180:sc= 0 USER MOD Single : A 170 NDP O3D : rot 91:sc= -2.17! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -11.976 -3.654 4.225 1.00 1.00 N ATOM 2 CA THR A 1 -10.764 -3.101 4.883 1.00 1.00 C ATOM 3 C THR A 1 -9.512 -3.837 4.420 1.00 1.00 C ATOM 4 O THR A 1 -9.393 -5.056 4.591 1.00 1.00 O ATOM 5 CB THR A 1 -10.945 -3.222 6.401 1.00 1.00 C ATOM 6 OG1 THR A 1 -12.311 -3.354 6.741 1.00 1.00 O ATOM 7 CG2 THR A 1 -10.380 -2.034 7.164 1.00 1.00 C ATOM 0 H1 THR A 1 -12.772 -3.638 4.894 1.00 1.00 H new ATOM 0 H2 THR A 1 -12.212 -3.078 3.392 1.00 1.00 H new ATOM 0 H3 THR A 1 -11.793 -4.634 3.928 1.00 1.00 H new ATOM 0 HA THR A 1 -10.638 -2.053 4.610 1.00 1.00 H new ATOM 0 HB THR A 1 -10.390 -4.115 6.689 1.00 1.00 H new ATOM 0 HG1 THR A 1 -12.400 -3.431 7.714 1.00 1.00 H new ATOM 0 HG21 THR A 1 -10.539 -2.179 8.233 1.00 1.00 H new ATOM 0 HG22 THR A 1 -9.312 -1.948 6.964 1.00 1.00 H new ATOM 0 HG23 THR A 1 -10.884 -1.122 6.843 1.00 1.00 H new ATOM 17 N ALA A 2 -8.577 -3.095 3.849 1.00 1.00 N ATOM 18 CA ALA A 2 -7.337 -3.681 3.366 1.00 1.00 C ATOM 19 C ALA A 2 -6.169 -2.696 3.468 1.00 1.00 C ATOM 20 O ALA A 2 -6.339 -1.479 3.364 1.00 1.00 O ATOM 21 CB ALA A 2 -7.508 -4.144 1.924 1.00 1.00 C ATOM 0 H ALA A 2 -8.653 -2.088 3.709 1.00 1.00 H new ATOM 0 HA ALA A 2 -7.104 -4.538 3.998 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -6.575 -4.582 1.569 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -8.301 -4.890 1.873 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -7.770 -3.292 1.297 1.00 1.00 H new ATOM 27 N PHE A 3 -4.970 -3.232 3.665 1.00 1.00 N ATOM 28 CA PHE A 3 -3.770 -2.422 3.769 1.00 1.00 C ATOM 29 C PHE A 3 -2.870 -2.640 2.549 1.00 1.00 C ATOM 30 O PHE A 3 -2.553 -3.773 2.202 1.00 1.00 O ATOM 31 CB PHE A 3 -3.015 -2.757 5.053 1.00 1.00 C ATOM 32 CG PHE A 3 -3.474 -2.000 6.276 1.00 1.00 C ATOM 33 CD1 PHE A 3 -4.696 -1.344 6.291 1.00 1.00 C ATOM 34 CD2 PHE A 3 -2.682 -1.958 7.412 1.00 1.00 C ATOM 35 CE1 PHE A 3 -5.118 -0.662 7.415 1.00 1.00 C ATOM 36 CE2 PHE A 3 -3.099 -1.276 8.540 1.00 1.00 C ATOM 37 CZ PHE A 3 -4.318 -0.627 8.541 1.00 1.00 C ATOM 0 H PHE A 3 -4.806 -4.235 3.756 1.00 1.00 H new ATOM 0 HA PHE A 3 -4.062 -1.372 3.800 1.00 1.00 H new ATOM 0 HB2 PHE A 3 -3.113 -3.825 5.247 1.00 1.00 H new ATOM 0 HB3 PHE A 3 -1.955 -2.557 4.897 1.00 1.00 H new ATOM 0 HD1 PHE A 3 -5.325 -1.367 5.413 1.00 1.00 H new ATOM 0 HD2 PHE A 3 -1.728 -2.464 7.416 1.00 1.00 H new ATOM 0 HE1 PHE A 3 -6.072 -0.156 7.414 1.00 1.00 H new ATOM 0 HE2 PHE A 3 -2.472 -1.251 9.419 1.00 1.00 H new ATOM 0 HZ PHE A 3 -4.646 -0.093 9.421 1.00 1.00 H new ATOM 47 N LEU A 4 -2.471 -1.553 1.904 1.00 1.00 N ATOM 48 CA LEU A 4 -1.617 -1.638 0.719 1.00 1.00 C ATOM 49 C LEU A 4 -0.206 -1.132 1.005 1.00 1.00 C ATOM 50 O LEU A 4 -0.025 0.000 1.463 1.00 1.00 O ATOM 51 CB LEU A 4 -2.250 -0.828 -0.408 1.00 1.00 C ATOM 52 CG LEU A 4 -1.815 -1.250 -1.810 1.00 1.00 C ATOM 53 CD1 LEU A 4 -2.881 -0.895 -2.834 1.00 1.00 C ATOM 54 CD2 LEU A 4 -0.483 -0.601 -2.168 1.00 1.00 C ATOM 0 H LEU A 4 -2.722 -0.603 2.177 1.00 1.00 H new ATOM 0 HA LEU A 4 -1.533 -2.684 0.425 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -3.334 -0.914 -0.336 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -2.003 0.224 -0.266 1.00 1.00 H new ATOM 0 HG LEU A 4 -1.685 -2.332 -1.821 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -2.550 -1.204 -3.826 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -3.810 -1.408 -2.585 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -3.048 0.182 -2.827 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -0.185 -0.911 -3.170 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -0.587 0.484 -2.139 1.00 1.00 H new ATOM 0 HD23 LEU A 4 0.277 -0.911 -1.451 1.00 1.00 H new ATOM 66 N TRP A 5 0.793 -1.958 0.724 1.00 1.00 N ATOM 67 CA TRP A 5 2.178 -1.579 0.945 1.00 1.00 C ATOM 68 C TRP A 5 3.111 -2.231 -0.081 1.00 1.00 C ATOM 69 O TRP A 5 2.772 -3.247 -0.685 1.00 1.00 O ATOM 70 CB TRP A 5 2.610 -1.964 2.362 1.00 1.00 C ATOM 71 CG TRP A 5 3.109 -3.369 2.472 1.00 1.00 C ATOM 72 CD1 TRP A 5 4.357 -3.838 2.176 1.00 1.00 C ATOM 73 CD2 TRP A 5 2.351 -4.500 2.917 1.00 1.00 C ATOM 74 NE1 TRP A 5 4.419 -5.190 2.408 1.00 1.00 N ATOM 75 CE2 TRP A 5 3.202 -5.619 2.863 1.00 1.00 C ATOM 76 CE3 TRP A 5 1.034 -4.676 3.358 1.00 1.00 C ATOM 77 CZ2 TRP A 5 2.783 -6.893 3.231 1.00 1.00 C ATOM 78 CZ3 TRP A 5 0.619 -5.944 3.723 1.00 1.00 C ATOM 79 CH2 TRP A 5 1.491 -7.037 3.657 1.00 1.00 C ATOM 0 H TRP A 5 0.668 -2.895 0.342 1.00 1.00 H new ATOM 0 HA TRP A 5 2.250 -0.498 0.825 1.00 1.00 H new ATOM 0 HB2 TRP A 5 3.393 -1.282 2.693 1.00 1.00 H new ATOM 0 HB3 TRP A 5 1.766 -1.832 3.039 1.00 1.00 H new ATOM 0 HD1 TRP A 5 5.175 -3.234 1.813 1.00 1.00 H new ATOM 0 HE1 TRP A 5 5.239 -5.779 2.264 1.00 1.00 H new ATOM 0 HE3 TRP A 5 0.355 -3.838 3.412 1.00 1.00 H new ATOM 0 HZ2 TRP A 5 3.453 -7.738 3.182 1.00 1.00 H new ATOM 0 HZ3 TRP A 5 -0.395 -6.093 4.065 1.00 1.00 H new ATOM 0 HH2 TRP A 5 1.136 -8.015 3.949 1.00 1.00 H new ATOM 90 N ALA A 6 4.292 -1.659 -0.254 1.00 1.00 N ATOM 91 CA ALA A 6 5.286 -2.188 -1.183 1.00 1.00 C ATOM 92 C ALA A 6 6.615 -2.320 -0.453 1.00 1.00 C ATOM 93 O ALA A 6 6.939 -1.496 0.398 1.00 1.00 O ATOM 94 CB ALA A 6 5.439 -1.272 -2.401 1.00 1.00 C ATOM 0 H ALA A 6 4.591 -0.819 0.242 1.00 1.00 H new ATOM 0 HA ALA A 6 4.960 -3.164 -1.541 1.00 1.00 H new ATOM 0 HB1 ALA A 6 6.185 -1.688 -3.078 1.00 1.00 H new ATOM 0 HB2 ALA A 6 4.483 -1.193 -2.919 1.00 1.00 H new ATOM 0 HB3 ALA A 6 5.758 -0.282 -2.074 1.00 1.00 H new ATOM 100 N GLN A 7 7.361 -3.362 -0.774 1.00 1.00 N ATOM 101 CA GLN A 7 8.639 -3.596 -0.120 1.00 1.00 C ATOM 102 C GLN A 7 9.693 -4.077 -1.113 1.00 1.00 C ATOM 103 O GLN A 7 9.382 -4.736 -2.105 1.00 1.00 O ATOM 104 CB GLN A 7 8.446 -4.656 1.001 1.00 1.00 C ATOM 105 CG GLN A 7 9.627 -5.594 1.215 1.00 1.00 C ATOM 106 CD GLN A 7 9.538 -6.846 0.352 1.00 1.00 C ATOM 107 OE1 GLN A 7 9.721 -6.789 -0.863 1.00 1.00 O ATOM 108 NE2 GLN A 7 9.267 -7.983 0.983 1.00 1.00 N ATOM 0 H GLN A 7 7.108 -4.056 -1.478 1.00 1.00 H new ATOM 0 HA GLN A 7 8.990 -2.656 0.306 1.00 1.00 H new ATOM 0 HB2 GLN A 7 8.239 -4.138 1.937 1.00 1.00 H new ATOM 0 HB3 GLN A 7 7.565 -5.254 0.766 1.00 1.00 H new ATOM 0 HG2 GLN A 7 10.553 -5.065 0.989 1.00 1.00 H new ATOM 0 HG3 GLN A 7 9.673 -5.882 2.265 1.00 1.00 H new ATOM 0 HE21 GLN A 7 9.122 -7.984 1.993 1.00 1.00 H new ATOM 0 HE22 GLN A 7 9.204 -8.855 0.458 1.00 1.00 H new ATOM 117 N ASP A 8 10.955 -3.817 -0.803 1.00 1.00 N ATOM 118 CA ASP A 8 12.048 -4.294 -1.637 1.00 1.00 C ATOM 119 C ASP A 8 12.277 -5.766 -1.303 1.00 1.00 C ATOM 120 O ASP A 8 12.045 -6.192 -0.167 1.00 1.00 O ATOM 121 CB ASP A 8 13.327 -3.480 -1.412 1.00 1.00 C ATOM 122 CG ASP A 8 13.253 -2.096 -2.009 1.00 1.00 C ATOM 123 OD1 ASP A 8 12.522 -1.249 -1.455 1.00 1.00 O ATOM 124 OD2 ASP A 8 13.918 -1.857 -3.040 1.00 1.00 O ATOM 0 H ASP A 8 11.246 -3.282 0.015 1.00 1.00 H new ATOM 0 HA ASP A 8 11.787 -4.176 -2.689 1.00 1.00 H new ATOM 0 HB2 ASP A 8 13.517 -3.399 -0.342 1.00 1.00 H new ATOM 0 HB3 ASP A 8 14.173 -4.013 -1.846 1.00 1.00 H new ATOM 129 N ARG A 9 12.730 -6.549 -2.261 1.00 1.00 N ATOM 130 CA ARG A 9 12.955 -7.969 -2.024 1.00 1.00 C ATOM 131 C ARG A 9 13.986 -8.170 -0.927 1.00 1.00 C ATOM 132 O ARG A 9 13.833 -9.053 -0.076 1.00 1.00 O ATOM 133 CB ARG A 9 13.401 -8.667 -3.305 1.00 1.00 C ATOM 134 CG ARG A 9 14.885 -8.538 -3.594 1.00 1.00 C ATOM 135 CD ARG A 9 15.278 -9.238 -4.882 1.00 1.00 C ATOM 136 NE ARG A 9 14.158 -9.945 -5.486 1.00 1.00 N ATOM 137 CZ ARG A 9 13.757 -11.163 -5.125 1.00 1.00 C ATOM 138 NH1 ARG A 9 14.389 -11.824 -4.161 1.00 1.00 N ATOM 139 NH2 ARG A 9 12.716 -11.722 -5.725 1.00 1.00 N ATOM 0 H ARG A 9 12.950 -6.234 -3.206 1.00 1.00 H new ATOM 0 HA ARG A 9 12.013 -8.413 -1.701 1.00 1.00 H new ATOM 0 HB2 ARG A 9 13.145 -9.724 -3.238 1.00 1.00 H new ATOM 0 HB3 ARG A 9 12.841 -8.256 -4.145 1.00 1.00 H new ATOM 0 HG2 ARG A 9 15.151 -7.483 -3.659 1.00 1.00 H new ATOM 0 HG3 ARG A 9 15.453 -8.959 -2.765 1.00 1.00 H new ATOM 0 HD2 ARG A 9 15.666 -8.504 -5.589 1.00 1.00 H new ATOM 0 HD3 ARG A 9 16.084 -9.943 -4.679 1.00 1.00 H new ATOM 0 HE ARG A 9 13.647 -9.477 -6.235 1.00 1.00 H new ATOM 0 HH11 ARG A 9 15.188 -11.399 -3.691 1.00 1.00 H new ATOM 0 HH12 ARG A 9 14.075 -12.756 -3.891 1.00 1.00 H new ATOM 0 HH21 ARG A 9 12.222 -11.220 -6.463 1.00 1.00 H new ATOM 0 HH22 ARG A 9 12.409 -12.655 -5.449 1.00 1.00 H new ATOM 153 N ASP A 10 15.046 -7.355 -0.958 1.00 1.00 N ATOM 154 CA ASP A 10 16.113 -7.442 0.035 1.00 1.00 C ATOM 155 C ASP A 10 15.562 -7.233 1.436 1.00 1.00 C ATOM 156 O ASP A 10 16.102 -7.763 2.404 1.00 1.00 O ATOM 157 CB ASP A 10 17.195 -6.412 -0.287 1.00 1.00 C ATOM 158 CG ASP A 10 18.596 -6.994 -0.276 1.00 1.00 C ATOM 159 OD1 ASP A 10 19.139 -7.231 0.824 1.00 1.00 O ATOM 160 OD2 ASP A 10 19.148 -7.219 -1.374 1.00 1.00 O ATOM 0 H ASP A 10 15.184 -6.629 -1.661 1.00 1.00 H new ATOM 0 HA ASP A 10 16.554 -8.438 -0.000 1.00 1.00 H new ATOM 0 HB2 ASP A 10 16.996 -5.980 -1.268 1.00 1.00 H new ATOM 0 HB3 ASP A 10 17.141 -5.599 0.437 1.00 1.00 H new ATOM 165 N GLY A 11 14.475 -6.472 1.552 1.00 1.00 N ATOM 166 CA GLY A 11 13.869 -6.235 2.860 1.00 1.00 C ATOM 167 C GLY A 11 13.901 -4.780 3.273 1.00 1.00 C ATOM 168 O GLY A 11 14.221 -4.466 4.426 1.00 1.00 O ATOM 0 H GLY A 11 14.003 -6.016 0.771 1.00 1.00 H new ATOM 0 HA2 GLY A 11 12.835 -6.579 2.843 1.00 1.00 H new ATOM 0 HA3 GLY A 11 14.391 -6.831 3.609 1.00 1.00 H new ATOM 172 N LEU A 12 13.580 -3.891 2.350 1.00 1.00 N ATOM 173 CA LEU A 12 13.575 -2.462 2.634 1.00 1.00 C ATOM 174 C LEU A 12 12.253 -1.830 2.206 1.00 1.00 C ATOM 175 O LEU A 12 11.771 -2.089 1.116 1.00 1.00 O ATOM 176 CB LEU A 12 14.720 -1.785 1.902 1.00 1.00 C ATOM 177 CG LEU A 12 15.387 -0.660 2.688 1.00 1.00 C ATOM 178 CD1 LEU A 12 16.521 -1.208 3.555 1.00 1.00 C ATOM 179 CD2 LEU A 12 15.908 0.414 1.736 1.00 1.00 C ATOM 0 H LEU A 12 13.318 -4.132 1.394 1.00 1.00 H new ATOM 0 HA LEU A 12 13.697 -2.326 3.709 1.00 1.00 H new ATOM 0 HB2 LEU A 12 15.471 -2.535 1.654 1.00 1.00 H new ATOM 0 HB3 LEU A 12 14.347 -1.383 0.960 1.00 1.00 H new ATOM 0 HG LEU A 12 14.644 -0.209 3.346 1.00 1.00 H new ATOM 0 HD11 LEU A 12 16.984 -0.391 4.108 1.00 1.00 H new ATOM 0 HD12 LEU A 12 16.121 -1.940 4.257 1.00 1.00 H new ATOM 0 HD13 LEU A 12 17.267 -1.685 2.919 1.00 1.00 H new ATOM 0 HD21 LEU A 12 16.381 1.210 2.310 1.00 1.00 H new ATOM 0 HD22 LEU A 12 16.637 -0.026 1.056 1.00 1.00 H new ATOM 0 HD23 LEU A 12 15.078 0.825 1.162 1.00 1.00 H new ATOM 191 N ILE A 13 11.685 -0.993 3.070 1.00 1.00 N ATOM 192 CA ILE A 13 10.434 -0.319 2.763 1.00 1.00 C ATOM 193 C ILE A 13 10.663 1.187 2.555 1.00 1.00 C ATOM 194 O ILE A 13 9.933 1.836 1.809 1.00 1.00 O ATOM 195 CB ILE A 13 9.396 -0.508 3.876 1.00 1.00 C ATOM 196 CG1 ILE A 13 10.011 -0.183 5.237 1.00 1.00 C ATOM 197 CG2 ILE A 13 8.857 -1.935 3.859 1.00 1.00 C ATOM 198 CD1 ILE A 13 8.981 0.192 6.277 1.00 1.00 C ATOM 0 H ILE A 13 12.073 -0.768 3.986 1.00 1.00 H new ATOM 0 HA ILE A 13 10.053 -0.768 1.846 1.00 1.00 H new ATOM 0 HB ILE A 13 8.567 0.177 3.701 1.00 1.00 H new ATOM 0 HG12 ILE A 13 10.577 -1.046 5.589 1.00 1.00 H new ATOM 0 HG13 ILE A 13 10.719 0.638 5.123 1.00 1.00 H new ATOM 0 HG21 ILE A 13 8.121 -2.055 4.654 1.00 1.00 H new ATOM 0 HG22 ILE A 13 8.387 -2.135 2.896 1.00 1.00 H new ATOM 0 HG23 ILE A 13 9.677 -2.636 4.015 1.00 1.00 H new ATOM 0 HD11 ILE A 13 9.480 0.411 7.221 1.00 1.00 H new ATOM 0 HD12 ILE A 13 8.432 1.073 5.944 1.00 1.00 H new ATOM 0 HD13 ILE A 13 8.287 -0.637 6.417 1.00 1.00 H new ATOM 210 N GLY A 14 11.682 1.731 3.222 1.00 1.00 N ATOM 211 CA GLY A 14 11.982 3.138 3.084 1.00 1.00 C ATOM 212 C GLY A 14 13.296 3.533 3.746 1.00 1.00 C ATOM 213 O GLY A 14 13.822 2.805 4.582 1.00 1.00 O ATOM 0 H GLY A 14 12.300 1.219 3.852 1.00 1.00 H new ATOM 0 HA2 GLY A 14 12.024 3.393 2.025 1.00 1.00 H new ATOM 0 HA3 GLY A 14 11.171 3.721 3.521 1.00 1.00 H new ATOM 217 N LYS A 15 13.825 4.677 3.341 1.00 1.00 N ATOM 218 CA LYS A 15 15.088 5.175 3.879 1.00 1.00 C ATOM 219 C LYS A 15 14.905 6.571 4.460 1.00 1.00 C ATOM 220 O LYS A 15 14.656 7.534 3.727 1.00 1.00 O ATOM 221 CB LYS A 15 16.167 5.212 2.785 1.00 1.00 C ATOM 222 CG LYS A 15 17.542 5.560 3.326 1.00 1.00 C ATOM 223 CD LYS A 15 18.663 5.146 2.374 1.00 1.00 C ATOM 224 CE LYS A 15 19.044 6.274 1.437 1.00 1.00 C ATOM 225 NZ LYS A 15 20.311 5.982 0.716 1.00 1.00 N ATOM 0 H LYS A 15 13.400 5.282 2.639 1.00 1.00 H new ATOM 0 HA LYS A 15 15.408 4.496 4.670 1.00 1.00 H new ATOM 0 HB2 LYS A 15 16.211 4.241 2.291 1.00 1.00 H new ATOM 0 HB3 LYS A 15 15.884 5.942 2.027 1.00 1.00 H new ATOM 0 HG2 LYS A 15 17.598 6.634 3.505 1.00 1.00 H new ATOM 0 HG3 LYS A 15 17.686 5.069 4.288 1.00 1.00 H new ATOM 0 HD2 LYS A 15 19.536 4.840 2.950 1.00 1.00 H new ATOM 0 HD3 LYS A 15 18.346 4.280 1.792 1.00 1.00 H new ATOM 0 HE2 LYS A 15 18.243 6.435 0.716 1.00 1.00 H new ATOM 0 HE3 LYS A 15 19.152 7.198 2.004 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 20.541 6.775 0.084 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 21.080 5.853 1.404 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 20.199 5.113 0.155 1.00 1.00 H new ATOM 239 N ASP A 16 15.037 6.674 5.777 1.00 1.00 N ATOM 240 CA ASP A 16 14.885 7.953 6.457 1.00 1.00 C ATOM 241 C ASP A 16 13.508 8.565 6.199 1.00 1.00 C ATOM 242 O ASP A 16 13.385 9.761 5.920 1.00 1.00 O ATOM 243 CB ASP A 16 15.994 8.925 6.030 1.00 1.00 C ATOM 244 CG ASP A 16 16.456 9.833 7.167 1.00 1.00 C ATOM 245 OD1 ASP A 16 15.971 9.653 8.303 1.00 1.00 O ATOM 246 OD2 ASP A 16 17.304 10.715 6.917 1.00 1.00 O ATOM 0 H ASP A 16 15.248 5.889 6.393 1.00 1.00 H new ATOM 0 HA ASP A 16 14.972 7.771 7.528 1.00 1.00 H new ATOM 0 HB2 ASP A 16 16.846 8.356 5.657 1.00 1.00 H new ATOM 0 HB3 ASP A 16 15.634 9.539 5.204 1.00 1.00 H new ATOM 251 N GLY A 17 12.477 7.729 6.294 1.00 1.00 N ATOM 252 CA GLY A 17 11.114 8.188 6.064 1.00 1.00 C ATOM 253 C GLY A 17 10.905 8.705 4.658 1.00 1.00 C ATOM 254 O GLY A 17 10.125 9.622 4.432 1.00 1.00 O ATOM 0 H GLY A 17 12.560 6.739 6.527 1.00 1.00 H new ATOM 0 HA2 GLY A 17 10.421 7.368 6.252 1.00 1.00 H new ATOM 0 HA3 GLY A 17 10.875 8.977 6.777 1.00 1.00 H new ATOM 258 N HIS A 18 11.630 8.114 3.707 1.00 1.00 N ATOM 259 CA HIS A 18 11.523 8.523 2.305 1.00 1.00 C ATOM 260 C HIS A 18 11.579 7.308 1.378 1.00 1.00 C ATOM 261 O HIS A 18 11.614 6.166 1.828 1.00 1.00 O ATOM 262 CB HIS A 18 12.643 9.511 1.946 1.00 1.00 C ATOM 263 CG HIS A 18 12.184 10.627 1.054 1.00 1.00 C ATOM 264 ND1 HIS A 18 11.008 10.813 0.421 1.00 1.00 N flip ATOM 265 CD2 HIS A 18 12.978 11.701 0.715 1.00 1.00 C flip ATOM 266 CE1 HIS A 18 11.105 11.987 -0.285 1.00 1.00 C flip ATOM 267 NE2 HIS A 18 12.305 12.505 -0.091 1.00 1.00 N flip ATOM 0 H HIS A 18 12.292 7.357 3.879 1.00 1.00 H new ATOM 0 HA HIS A 18 10.561 9.017 2.170 1.00 1.00 H new ATOM 0 HB2 HIS A 18 13.054 9.933 2.863 1.00 1.00 H new ATOM 0 HB3 HIS A 18 13.451 8.970 1.454 1.00 1.00 H new ATOM 0 HD2 HIS A 18 13.991 11.861 1.054 1.00 1.00 H new ATOM 0 HE1 HIS A 18 10.327 12.417 -0.899 1.00 1.00 H new ATOM 0 HE2 HIS A 18 12.653 13.375 -0.494 1.00 1.00 H new ATOM 276 N LEU A 19 11.575 7.585 0.078 1.00 1.00 N ATOM 277 CA LEU A 19 11.607 6.552 -0.945 1.00 1.00 C ATOM 278 C LEU A 19 13.016 6.409 -1.542 1.00 1.00 C ATOM 279 O LEU A 19 13.440 7.258 -2.320 1.00 1.00 O ATOM 280 CB LEU A 19 10.619 6.902 -2.055 1.00 1.00 C ATOM 281 CG LEU A 19 9.207 6.345 -1.851 1.00 1.00 C ATOM 282 CD1 LEU A 19 8.181 7.232 -2.535 1.00 1.00 C ATOM 283 CD2 LEU A 19 9.128 4.928 -2.393 1.00 1.00 C ATOM 0 H LEU A 19 11.549 8.534 -0.294 1.00 1.00 H new ATOM 0 HA LEU A 19 11.330 5.604 -0.484 1.00 1.00 H new ATOM 0 HB2 LEU A 19 10.558 7.987 -2.141 1.00 1.00 H new ATOM 0 HB3 LEU A 19 11.009 6.529 -3.002 1.00 1.00 H new ATOM 0 HG LEU A 19 8.986 6.328 -0.784 1.00 1.00 H new ATOM 0 HD11 LEU A 19 7.183 6.821 -2.380 1.00 1.00 H new ATOM 0 HD12 LEU A 19 8.229 8.236 -2.114 1.00 1.00 H new ATOM 0 HD13 LEU A 19 8.393 7.276 -3.603 1.00 1.00 H new ATOM 0 HD21 LEU A 19 8.121 4.537 -2.245 1.00 1.00 H new ATOM 0 HD22 LEU A 19 9.363 4.932 -3.457 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.843 4.296 -1.866 1.00 1.00 H new ATOM 295 N PRO A 20 13.751 5.343 -1.200 1.00 1.00 N ATOM 296 CA PRO A 20 15.109 5.108 -1.723 1.00 1.00 C ATOM 297 C PRO A 20 15.086 4.656 -3.175 1.00 1.00 C ATOM 298 O PRO A 20 15.965 5.014 -3.961 1.00 1.00 O ATOM 299 CB PRO A 20 15.643 3.995 -0.826 1.00 1.00 C ATOM 300 CG PRO A 20 14.432 3.251 -0.380 1.00 1.00 C ATOM 301 CD PRO A 20 13.321 4.266 -0.295 1.00 1.00 C ATOM 0 HA PRO A 20 15.720 6.011 -1.710 1.00 1.00 H new ATOM 0 HB2 PRO A 20 16.329 3.345 -1.369 1.00 1.00 H new ATOM 0 HB3 PRO A 20 16.193 4.401 0.023 1.00 1.00 H new ATOM 0 HG2 PRO A 20 14.181 2.458 -1.084 1.00 1.00 H new ATOM 0 HG3 PRO A 20 14.601 2.777 0.587 1.00 1.00 H new ATOM 0 HD2 PRO A 20 12.367 3.840 -0.606 1.00 1.00 H new ATOM 0 HD3 PRO A 20 13.190 4.630 0.724 1.00 1.00 H new ATOM 309 N TRP A 21 14.079 3.876 -3.524 1.00 1.00 N ATOM 310 CA TRP A 21 13.929 3.368 -4.888 1.00 1.00 C ATOM 311 C TRP A 21 12.889 4.185 -5.659 1.00 1.00 C ATOM 312 O TRP A 21 11.938 4.711 -5.073 1.00 1.00 O ATOM 313 CB TRP A 21 13.503 1.894 -4.854 1.00 1.00 C ATOM 314 CG TRP A 21 12.020 1.700 -4.765 1.00 1.00 C ATOM 315 CD1 TRP A 21 11.134 1.674 -5.804 1.00 1.00 C ATOM 316 CD2 TRP A 21 11.250 1.519 -3.575 1.00 1.00 C ATOM 317 NE1 TRP A 21 9.857 1.494 -5.329 1.00 1.00 N ATOM 318 CE2 TRP A 21 9.903 1.395 -3.963 1.00 1.00 C ATOM 319 CE3 TRP A 21 11.571 1.451 -2.219 1.00 1.00 C ATOM 320 CZ2 TRP A 21 8.879 1.208 -3.040 1.00 1.00 C ATOM 321 CZ3 TRP A 21 10.554 1.266 -1.304 1.00 1.00 C ATOM 322 CH2 TRP A 21 9.222 1.147 -1.718 1.00 1.00 C ATOM 0 H TRP A 21 13.346 3.576 -2.882 1.00 1.00 H new ATOM 0 HA TRP A 21 14.890 3.457 -5.395 1.00 1.00 H new ATOM 0 HB2 TRP A 21 13.873 1.397 -5.751 1.00 1.00 H new ATOM 0 HB3 TRP A 21 13.976 1.407 -4.001 1.00 1.00 H new ATOM 0 HD1 TRP A 21 11.398 1.779 -6.846 1.00 1.00 H new ATOM 0 HE1 TRP A 21 9.013 1.443 -5.900 1.00 1.00 H new ATOM 0 HE3 TRP A 21 12.596 1.541 -1.891 1.00 1.00 H new ATOM 0 HZ2 TRP A 21 7.851 1.114 -3.356 1.00 1.00 H new ATOM 0 HZ3 TRP A 21 10.790 1.212 -0.251 1.00 1.00 H new ATOM 0 HH2 TRP A 21 8.449 1.004 -0.977 1.00 1.00 H new ATOM 333 N HIS A 22 13.068 4.283 -6.976 1.00 1.00 N ATOM 334 CA HIS A 22 12.139 5.025 -7.821 1.00 1.00 C ATOM 335 C HIS A 22 11.504 4.106 -8.874 1.00 1.00 C ATOM 336 O HIS A 22 12.152 3.746 -9.860 1.00 1.00 O ATOM 337 CB HIS A 22 12.864 6.182 -8.510 1.00 1.00 C ATOM 338 CG HIS A 22 11.945 7.103 -9.253 1.00 1.00 C ATOM 339 ND1 HIS A 22 10.731 7.512 -8.741 1.00 1.00 N ATOM 340 CD2 HIS A 22 12.057 7.694 -10.466 1.00 1.00 C ATOM 341 CE1 HIS A 22 10.137 8.313 -9.608 1.00 1.00 C ATOM 342 NE2 HIS A 22 10.921 8.440 -10.662 1.00 1.00 N ATOM 0 H HIS A 22 13.847 3.858 -7.478 1.00 1.00 H new ATOM 0 HA HIS A 22 11.346 5.424 -7.188 1.00 1.00 H new ATOM 0 HB2 HIS A 22 13.412 6.754 -7.762 1.00 1.00 H new ATOM 0 HB3 HIS A 22 13.600 5.777 -9.205 1.00 1.00 H new ATOM 0 HD2 HIS A 22 12.886 7.597 -11.152 1.00 1.00 H new ATOM 0 HE1 HIS A 22 9.174 8.784 -9.476 1.00 1.00 H new ATOM 0 HE2 HIS A 22 10.716 9.002 -11.489 1.00 1.00 H new ATOM 351 N LEU A 23 10.243 3.739 -8.654 1.00 1.00 N ATOM 352 CA LEU A 23 9.519 2.867 -9.590 1.00 1.00 C ATOM 353 C LEU A 23 8.126 3.431 -9.892 1.00 1.00 C ATOM 354 O LEU A 23 7.130 2.990 -9.307 1.00 1.00 O ATOM 355 CB LEU A 23 9.403 1.454 -9.011 1.00 1.00 C ATOM 356 CG LEU A 23 10.236 0.388 -9.725 1.00 1.00 C ATOM 357 CD1 LEU A 23 11.712 0.592 -9.438 1.00 1.00 C ATOM 358 CD2 LEU A 23 9.793 -1.011 -9.314 1.00 1.00 C ATOM 0 H LEU A 23 9.699 4.028 -7.841 1.00 1.00 H new ATOM 0 HA LEU A 23 10.080 2.823 -10.523 1.00 1.00 H new ATOM 0 HB2 LEU A 23 9.700 1.483 -7.963 1.00 1.00 H new ATOM 0 HB3 LEU A 23 8.356 1.152 -9.038 1.00 1.00 H new ATOM 0 HG LEU A 23 10.077 0.489 -10.799 1.00 1.00 H new ATOM 0 HD11 LEU A 23 12.292 -0.174 -9.953 1.00 1.00 H new ATOM 0 HD12 LEU A 23 12.018 1.577 -9.790 1.00 1.00 H new ATOM 0 HD13 LEU A 23 11.887 0.520 -8.365 1.00 1.00 H new ATOM 0 HD21 LEU A 23 10.399 -1.752 -9.834 1.00 1.00 H new ATOM 0 HD22 LEU A 23 9.918 -1.131 -8.238 1.00 1.00 H new ATOM 0 HD23 LEU A 23 8.744 -1.152 -9.575 1.00 1.00 H new ATOM 370 N PRO A 24 8.033 4.416 -10.808 1.00 1.00 N ATOM 371 CA PRO A 24 6.754 5.028 -11.168 1.00 1.00 C ATOM 372 C PRO A 24 5.734 3.994 -11.625 1.00 1.00 C ATOM 373 O PRO A 24 4.524 4.174 -11.433 1.00 1.00 O ATOM 374 CB PRO A 24 7.104 5.978 -12.322 1.00 1.00 C ATOM 375 CG PRO A 24 8.485 5.601 -12.760 1.00 1.00 C ATOM 376 CD PRO A 24 9.158 4.996 -11.559 1.00 1.00 C ATOM 0 HA PRO A 24 6.297 5.533 -10.317 1.00 1.00 H new ATOM 0 HB2 PRO A 24 6.393 5.875 -13.142 1.00 1.00 H new ATOM 0 HB3 PRO A 24 7.068 7.018 -11.997 1.00 1.00 H new ATOM 0 HG2 PRO A 24 8.451 4.890 -13.586 1.00 1.00 H new ATOM 0 HG3 PRO A 24 9.033 6.474 -13.114 1.00 1.00 H new ATOM 0 HD2 PRO A 24 9.887 4.238 -11.844 1.00 1.00 H new ATOM 0 HD3 PRO A 24 9.690 5.746 -10.974 1.00 1.00 H new ATOM 384 N ASP A 25 6.229 2.906 -12.214 1.00 1.00 N ATOM 385 CA ASP A 25 5.367 1.826 -12.686 1.00 1.00 C ATOM 386 C ASP A 25 4.414 1.387 -11.585 1.00 1.00 C ATOM 387 O ASP A 25 3.193 1.348 -11.781 1.00 1.00 O ATOM 388 CB ASP A 25 6.222 0.640 -13.139 1.00 1.00 C ATOM 389 CG ASP A 25 6.180 0.425 -14.650 1.00 1.00 C ATOM 390 OD1 ASP A 25 5.889 1.400 -15.376 1.00 1.00 O ATOM 391 OD2 ASP A 25 6.436 -0.712 -15.100 1.00 1.00 O ATOM 0 H ASP A 25 7.224 2.750 -12.375 1.00 1.00 H new ATOM 0 HA ASP A 25 4.780 2.190 -13.530 1.00 1.00 H new ATOM 0 HB2 ASP A 25 7.254 0.802 -12.828 1.00 1.00 H new ATOM 0 HB3 ASP A 25 5.876 -0.264 -12.638 1.00 1.00 H new ATOM 396 N ASP A 26 4.975 1.068 -10.432 1.00 1.00 N ATOM 397 CA ASP A 26 4.184 0.638 -9.279 1.00 1.00 C ATOM 398 C ASP A 26 3.287 1.767 -8.804 1.00 1.00 C ATOM 399 O ASP A 26 2.173 1.537 -8.365 1.00 1.00 O ATOM 400 CB ASP A 26 5.103 0.171 -8.141 1.00 1.00 C ATOM 401 CG ASP A 26 4.351 -0.606 -7.080 1.00 1.00 C ATOM 402 OD1 ASP A 26 3.118 -0.428 -6.989 1.00 1.00 O ATOM 403 OD2 ASP A 26 4.987 -1.384 -6.337 1.00 1.00 O ATOM 0 H ASP A 26 5.981 1.097 -10.263 1.00 1.00 H new ATOM 0 HA ASP A 26 3.557 -0.200 -9.583 1.00 1.00 H new ATOM 0 HB2 ASP A 26 5.898 -0.453 -8.551 1.00 1.00 H new ATOM 0 HB3 ASP A 26 5.581 1.037 -7.684 1.00 1.00 H new ATOM 408 N LEU A 27 3.794 2.998 -8.898 1.00 1.00 N ATOM 409 CA LEU A 27 3.034 4.179 -8.475 1.00 1.00 C ATOM 410 C LEU A 27 1.769 4.364 -9.314 1.00 1.00 C ATOM 411 O LEU A 27 0.710 4.676 -8.787 1.00 1.00 O ATOM 412 CB LEU A 27 3.906 5.441 -8.556 1.00 1.00 C ATOM 413 CG LEU A 27 4.715 5.761 -7.302 1.00 1.00 C ATOM 414 CD1 LEU A 27 3.881 6.589 -6.340 1.00 1.00 C ATOM 415 CD2 LEU A 27 5.197 4.478 -6.640 1.00 1.00 C ATOM 0 H LEU A 27 4.724 3.204 -9.262 1.00 1.00 H new ATOM 0 HA LEU A 27 2.733 4.019 -7.440 1.00 1.00 H new ATOM 0 HB2 LEU A 27 4.595 5.333 -9.394 1.00 1.00 H new ATOM 0 HB3 LEU A 27 3.263 6.292 -8.780 1.00 1.00 H new ATOM 0 HG LEU A 27 5.591 6.344 -7.586 1.00 1.00 H new ATOM 0 HD11 LEU A 27 4.468 6.812 -5.449 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.587 7.521 -6.823 1.00 1.00 H new ATOM 0 HD13 LEU A 27 2.989 6.030 -6.057 1.00 1.00 H new ATOM 0 HD21 LEU A 27 5.772 4.723 -5.747 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.338 3.867 -6.362 1.00 1.00 H new ATOM 0 HD23 LEU A 27 5.826 3.924 -7.336 1.00 1.00 H new ATOM 427 N HIS A 28 1.897 4.160 -10.627 1.00 1.00 N ATOM 428 CA HIS A 28 0.774 4.307 -11.535 1.00 1.00 C ATOM 429 C HIS A 28 -0.349 3.362 -11.139 1.00 1.00 C ATOM 430 O HIS A 28 -1.519 3.733 -11.142 1.00 1.00 O ATOM 431 CB HIS A 28 1.209 4.016 -12.972 1.00 1.00 C ATOM 432 CG HIS A 28 1.155 5.212 -13.865 1.00 1.00 C ATOM 433 ND1 HIS A 28 1.883 5.308 -15.032 1.00 1.00 N ATOM 434 CD2 HIS A 28 0.464 6.372 -13.759 1.00 1.00 C ATOM 435 CE1 HIS A 28 1.643 6.474 -15.605 1.00 1.00 C ATOM 436 NE2 HIS A 28 0.785 7.137 -14.853 1.00 1.00 N ATOM 0 H HIS A 28 2.771 3.892 -11.079 1.00 1.00 H new ATOM 0 HA HIS A 28 0.415 5.334 -11.475 1.00 1.00 H new ATOM 0 HB2 HIS A 28 2.226 3.625 -12.963 1.00 1.00 H new ATOM 0 HB3 HIS A 28 0.571 3.235 -13.385 1.00 1.00 H new ATOM 0 HD2 HIS A 28 -0.213 6.644 -12.963 1.00 1.00 H new ATOM 0 HE1 HIS A 28 2.075 6.825 -16.531 1.00 1.00 H new ATOM 0 HE2 HIS A 28 0.419 8.068 -15.052 1.00 1.00 H new ATOM 445 N TYR A 29 0.017 2.140 -10.784 1.00 1.00 N ATOM 446 CA TYR A 29 -0.956 1.140 -10.372 1.00 1.00 C ATOM 447 C TYR A 29 -1.694 1.616 -9.131 1.00 1.00 C ATOM 448 O TYR A 29 -2.910 1.495 -9.040 1.00 1.00 O ATOM 449 CB TYR A 29 -0.259 -0.190 -10.094 1.00 1.00 C ATOM 450 CG TYR A 29 -1.213 -1.364 -10.075 1.00 1.00 C ATOM 451 CD1 TYR A 29 -1.649 -1.949 -11.257 1.00 1.00 C ATOM 452 CD2 TYR A 29 -1.680 -1.884 -8.874 1.00 1.00 C ATOM 453 CE1 TYR A 29 -2.523 -3.020 -11.243 1.00 1.00 C ATOM 454 CE2 TYR A 29 -2.555 -2.955 -8.853 1.00 1.00 C ATOM 455 CZ TYR A 29 -2.972 -3.519 -10.039 1.00 1.00 C ATOM 456 OH TYR A 29 -3.846 -4.580 -10.017 1.00 1.00 O ATOM 0 H TYR A 29 0.984 1.816 -10.773 1.00 1.00 H new ATOM 0 HA TYR A 29 -1.676 0.994 -11.177 1.00 1.00 H new ATOM 0 HB2 TYR A 29 0.503 -0.360 -10.854 1.00 1.00 H new ATOM 0 HB3 TYR A 29 0.255 -0.131 -9.135 1.00 1.00 H new ATOM 0 HD1 TYR A 29 -1.300 -1.561 -12.202 1.00 1.00 H new ATOM 0 HD2 TYR A 29 -1.355 -1.445 -7.942 1.00 1.00 H new ATOM 0 HE1 TYR A 29 -2.852 -3.464 -12.171 1.00 1.00 H new ATOM 0 HE2 TYR A 29 -2.910 -3.347 -7.911 1.00 1.00 H new ATOM 0 HH TYR A 29 -4.061 -4.807 -9.088 1.00 1.00 H new ATOM 466 N PHE A 30 -0.939 2.142 -8.175 1.00 1.00 N ATOM 467 CA PHE A 30 -1.496 2.622 -6.916 1.00 1.00 C ATOM 468 C PHE A 30 -2.490 3.755 -7.130 1.00 1.00 C ATOM 469 O PHE A 30 -3.581 3.765 -6.543 1.00 1.00 O ATOM 470 CB PHE A 30 -0.370 3.089 -5.989 1.00 1.00 C ATOM 471 CG PHE A 30 -0.703 3.025 -4.527 1.00 1.00 C ATOM 472 CD1 PHE A 30 -1.996 2.778 -4.098 1.00 1.00 C ATOM 473 CD2 PHE A 30 0.290 3.218 -3.580 1.00 1.00 C ATOM 474 CE1 PHE A 30 -2.295 2.723 -2.750 1.00 1.00 C ATOM 475 CE2 PHE A 30 -0.004 3.166 -2.230 1.00 1.00 C ATOM 476 CZ PHE A 30 -1.297 2.918 -1.814 1.00 1.00 C ATOM 0 H PHE A 30 0.073 2.248 -8.249 1.00 1.00 H new ATOM 0 HA PHE A 30 -2.032 1.792 -6.456 1.00 1.00 H new ATOM 0 HB2 PHE A 30 0.514 2.479 -6.175 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -0.108 4.116 -6.245 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -2.780 2.627 -4.825 1.00 1.00 H new ATOM 0 HD2 PHE A 30 1.303 3.411 -3.900 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -3.307 2.528 -2.428 1.00 1.00 H new ATOM 0 HE2 PHE A 30 0.778 3.319 -1.501 1.00 1.00 H new ATOM 0 HZ PHE A 30 -1.528 2.876 -0.760 1.00 1.00 H new ATOM 486 N ARG A 31 -2.123 4.711 -7.977 1.00 1.00 N ATOM 487 CA ARG A 31 -2.986 5.857 -8.268 1.00 1.00 C ATOM 488 C ARG A 31 -4.307 5.412 -8.889 1.00 1.00 C ATOM 489 O ARG A 31 -5.375 5.914 -8.527 1.00 1.00 O ATOM 490 CB ARG A 31 -2.276 6.828 -9.205 1.00 1.00 C ATOM 491 CG ARG A 31 -0.906 7.263 -8.722 1.00 1.00 C ATOM 492 CD ARG A 31 -0.944 8.657 -8.117 1.00 1.00 C ATOM 493 NE ARG A 31 -1.246 9.680 -9.117 1.00 1.00 N ATOM 494 CZ ARG A 31 -1.115 10.990 -8.912 1.00 1.00 C ATOM 495 NH1 ARG A 31 -0.677 11.450 -7.745 1.00 1.00 N ATOM 496 NH2 ARG A 31 -1.424 11.845 -9.876 1.00 1.00 N ATOM 0 H ARG A 31 -1.233 4.717 -8.476 1.00 1.00 H new ATOM 0 HA ARG A 31 -3.203 6.359 -7.325 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -2.173 6.361 -10.185 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -2.901 7.712 -9.337 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -0.539 6.554 -7.981 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -0.203 7.246 -9.555 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -1.695 8.689 -7.327 1.00 1.00 H new ATOM 0 HD3 ARG A 31 0.017 8.877 -7.652 1.00 1.00 H new ATOM 0 HE ARG A 31 -1.578 9.371 -10.030 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -0.438 10.799 -6.997 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -0.580 12.454 -7.597 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -1.762 11.500 -10.774 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -1.324 12.848 -9.720 1.00 1.00 H new ATOM 510 N ALA A 32 -4.232 4.472 -9.819 1.00 1.00 N ATOM 511 CA ALA A 32 -5.431 3.961 -10.483 1.00 1.00 C ATOM 512 C ALA A 32 -6.330 3.250 -9.476 1.00 1.00 C ATOM 513 O ALA A 32 -7.553 3.346 -9.533 1.00 1.00 O ATOM 514 CB ALA A 32 -5.048 3.038 -11.631 1.00 1.00 C ATOM 0 H ALA A 32 -3.360 4.046 -10.133 1.00 1.00 H new ATOM 0 HA ALA A 32 -5.990 4.799 -10.900 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -5.951 2.666 -12.115 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -4.448 3.588 -12.356 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -4.470 2.198 -11.245 1.00 1.00 H new ATOM 520 N GLN A 33 -5.711 2.538 -8.546 1.00 1.00 N ATOM 521 CA GLN A 33 -6.448 1.818 -7.515 1.00 1.00 C ATOM 522 C GLN A 33 -7.191 2.781 -6.596 1.00 1.00 C ATOM 523 O GLN A 33 -8.294 2.497 -6.145 1.00 1.00 O ATOM 524 CB GLN A 33 -5.495 0.953 -6.691 1.00 1.00 C ATOM 525 CG GLN A 33 -5.532 -0.512 -7.079 1.00 1.00 C ATOM 526 CD GLN A 33 -5.043 -1.424 -5.982 1.00 1.00 C ATOM 527 OE1 GLN A 33 -3.843 -1.520 -5.724 1.00 1.00 O ATOM 528 NE2 GLN A 33 -5.973 -2.113 -5.330 1.00 1.00 N ATOM 0 H GLN A 33 -4.697 2.443 -8.483 1.00 1.00 H new ATOM 0 HA GLN A 33 -7.180 1.180 -8.011 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -4.479 1.328 -6.810 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -5.748 1.049 -5.635 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -6.553 -0.786 -7.344 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -4.920 -0.662 -7.969 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -6.956 -2.002 -5.577 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -5.704 -2.752 -4.582 1.00 1.00 H new ATOM 537 N THR A 34 -6.560 3.905 -6.281 1.00 1.00 N ATOM 538 CA THR A 34 -7.134 4.882 -5.352 1.00 1.00 C ATOM 539 C THR A 34 -8.195 5.767 -6.012 1.00 1.00 C ATOM 540 O THR A 34 -8.725 6.680 -5.375 1.00 1.00 O ATOM 541 CB THR A 34 -6.025 5.751 -4.742 1.00 1.00 C ATOM 542 OG1 THR A 34 -5.242 6.347 -5.754 1.00 1.00 O ATOM 543 CG2 THR A 34 -5.098 4.979 -3.832 1.00 1.00 C ATOM 0 H THR A 34 -5.648 4.167 -6.654 1.00 1.00 H new ATOM 0 HA THR A 34 -7.632 4.318 -4.563 1.00 1.00 H new ATOM 0 HB THR A 34 -6.540 6.508 -4.150 1.00 1.00 H new ATOM 0 HG1 THR A 34 -5.607 6.111 -6.632 1.00 1.00 H new ATOM 0 HG21 THR A 34 -4.337 5.650 -3.434 1.00 1.00 H new ATOM 0 HG22 THR A 34 -5.670 4.550 -3.009 1.00 1.00 H new ATOM 0 HG23 THR A 34 -4.617 4.180 -4.396 1.00 1.00 H new ATOM 551 N VAL A 35 -8.538 5.489 -7.264 1.00 1.00 N ATOM 552 CA VAL A 35 -9.565 6.277 -7.934 1.00 1.00 C ATOM 553 C VAL A 35 -10.936 5.682 -7.662 1.00 1.00 C ATOM 554 O VAL A 35 -11.150 4.479 -7.817 1.00 1.00 O ATOM 555 CB VAL A 35 -9.359 6.375 -9.452 1.00 1.00 C ATOM 556 CG1 VAL A 35 -9.661 5.053 -10.127 1.00 1.00 C ATOM 557 CG2 VAL A 35 -10.228 7.482 -10.039 1.00 1.00 C ATOM 0 H VAL A 35 -8.131 4.741 -7.826 1.00 1.00 H new ATOM 0 HA VAL A 35 -9.491 7.286 -7.527 1.00 1.00 H new ATOM 0 HB VAL A 35 -8.313 6.619 -9.635 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -9.507 5.150 -11.202 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -8.997 4.283 -9.733 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -10.696 4.773 -9.932 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -10.069 7.537 -11.116 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -11.277 7.266 -9.838 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -9.960 8.435 -9.584 1.00 1.00 H new ATOM 567 N GLY A 36 -11.831 6.536 -7.221 1.00 1.00 N ATOM 568 CA GLY A 36 -13.173 6.104 -6.885 1.00 1.00 C ATOM 569 C GLY A 36 -13.224 5.386 -5.542 1.00 1.00 C ATOM 570 O GLY A 36 -14.168 4.632 -5.277 1.00 1.00 O ATOM 0 H GLY A 36 -11.657 7.532 -7.086 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -13.836 6.969 -6.859 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -13.546 5.440 -7.665 1.00 1.00 H new ATOM 574 N LYS A 37 -12.202 5.601 -4.711 1.00 1.00 N ATOM 575 CA LYS A 37 -12.127 4.948 -3.408 1.00 1.00 C ATOM 576 C LYS A 37 -11.561 5.878 -2.341 1.00 1.00 C ATOM 577 O LYS A 37 -10.877 6.862 -2.650 1.00 1.00 O ATOM 578 CB LYS A 37 -11.273 3.686 -3.500 1.00 1.00 C ATOM 579 CG LYS A 37 -11.733 2.711 -4.571 1.00 1.00 C ATOM 580 CD LYS A 37 -11.142 1.329 -4.348 1.00 1.00 C ATOM 581 CE LYS A 37 -11.324 0.438 -5.570 1.00 1.00 C ATOM 582 NZ LYS A 37 -10.709 1.035 -6.796 1.00 1.00 N ATOM 0 H LYS A 37 -11.419 6.220 -4.919 1.00 1.00 H new ATOM 0 HA LYS A 37 -13.143 4.681 -3.116 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -10.240 3.971 -3.701 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -11.282 3.181 -2.534 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.821 2.649 -4.566 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.439 3.081 -5.553 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -10.080 1.419 -4.118 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -11.617 0.864 -3.484 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -10.876 -0.537 -5.378 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -12.387 0.272 -5.742 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -10.471 0.278 -7.469 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -11.383 1.692 -7.238 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -9.844 1.550 -6.535 1.00 1.00 H new ATOM 596 N ILE A 38 -11.843 5.579 -1.082 1.00 1.00 N ATOM 597 CA ILE A 38 -11.368 6.400 0.021 1.00 1.00 C ATOM 598 C ILE A 38 -10.175 5.748 0.702 1.00 1.00 C ATOM 599 O ILE A 38 -10.226 4.580 1.073 1.00 1.00 O ATOM 600 CB ILE A 38 -12.481 6.619 1.063 1.00 1.00 C ATOM 601 CG1 ILE A 38 -13.737 7.154 0.384 1.00 1.00 C ATOM 602 CG2 ILE A 38 -12.010 7.573 2.144 1.00 1.00 C ATOM 603 CD1 ILE A 38 -15.003 6.433 0.803 1.00 1.00 C ATOM 0 H ILE A 38 -12.399 4.772 -0.799 1.00 1.00 H new ATOM 0 HA ILE A 38 -11.069 7.363 -0.393 1.00 1.00 H new ATOM 0 HB ILE A 38 -12.720 5.663 1.530 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -13.840 8.215 0.612 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -13.621 7.070 -0.696 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -12.807 7.718 2.873 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -11.134 7.156 2.641 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -11.750 8.532 1.695 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -15.857 6.865 0.282 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -14.920 5.376 0.550 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -15.143 6.539 1.879 1.00 1.00 H new ATOM 615 N MET A 39 -9.092 6.509 0.845 1.00 1.00 N ATOM 616 CA MET A 39 -7.882 5.985 1.458 1.00 1.00 C ATOM 617 C MET A 39 -7.349 6.899 2.564 1.00 1.00 C ATOM 618 O MET A 39 -7.514 8.119 2.518 1.00 1.00 O ATOM 619 CB MET A 39 -6.803 5.783 0.390 1.00 1.00 C ATOM 620 CG MET A 39 -5.871 6.977 0.244 1.00 1.00 C ATOM 621 SD MET A 39 -4.763 6.819 -1.163 1.00 1.00 S ATOM 622 CE MET A 39 -3.437 5.858 -0.431 1.00 1.00 C ATOM 0 H MET A 39 -9.031 7.482 0.546 1.00 1.00 H new ATOM 0 HA MET A 39 -8.137 5.030 1.917 1.00 1.00 H new ATOM 0 HB2 MET A 39 -6.215 4.900 0.640 1.00 1.00 H new ATOM 0 HB3 MET A 39 -7.283 5.586 -0.569 1.00 1.00 H new ATOM 0 HG2 MET A 39 -6.464 7.885 0.135 1.00 1.00 H new ATOM 0 HG3 MET A 39 -5.283 7.088 1.155 1.00 1.00 H new ATOM 0 HE1 MET A 39 -2.880 5.348 -1.217 1.00 1.00 H new ATOM 0 HE2 MET A 39 -2.767 6.521 0.117 1.00 1.00 H new ATOM 0 HE3 MET A 39 -3.857 5.120 0.253 1.00 1.00 H new ATOM 632 N VAL A 40 -6.697 6.283 3.562 1.00 1.00 N ATOM 633 CA VAL A 40 -6.115 7.012 4.679 1.00 1.00 C ATOM 634 C VAL A 40 -4.610 6.817 4.720 1.00 1.00 C ATOM 635 O VAL A 40 -4.128 5.686 4.648 1.00 1.00 O ATOM 636 CB VAL A 40 -6.694 6.557 6.034 1.00 1.00 C ATOM 637 CG1 VAL A 40 -6.311 7.545 7.130 1.00 1.00 C ATOM 638 CG2 VAL A 40 -8.200 6.386 5.948 1.00 1.00 C ATOM 0 H VAL A 40 -6.564 5.273 3.610 1.00 1.00 H new ATOM 0 HA VAL A 40 -6.360 8.062 4.522 1.00 1.00 H new ATOM 0 HB VAL A 40 -6.267 5.586 6.287 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -6.726 7.212 8.081 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -5.225 7.600 7.207 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -6.708 8.531 6.886 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -8.586 6.065 6.916 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -8.659 7.335 5.672 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -8.438 5.635 5.195 1.00 1.00 H new ATOM 648 N VAL A 41 -3.865 7.918 4.820 1.00 1.00 N ATOM 649 CA VAL A 41 -2.407 7.849 4.861 1.00 1.00 C ATOM 650 C VAL A 41 -1.849 8.447 6.149 1.00 1.00 C ATOM 651 O VAL A 41 -2.208 9.566 6.538 1.00 1.00 O ATOM 652 CB VAL A 41 -1.768 8.580 3.668 1.00 1.00 C ATOM 653 CG1 VAL A 41 -0.455 7.918 3.287 1.00 1.00 C ATOM 654 CG2 VAL A 41 -2.718 8.610 2.487 1.00 1.00 C ATOM 0 H VAL A 41 -4.246 8.863 4.874 1.00 1.00 H new ATOM 0 HA VAL A 41 -2.155 6.790 4.814 1.00 1.00 H new ATOM 0 HB VAL A 41 -1.563 9.609 3.962 1.00 1.00 H new ATOM 0 HG11 VAL A 41 -0.014 8.445 2.441 1.00 1.00 H new ATOM 0 HG12 VAL A 41 0.230 7.954 4.134 1.00 1.00 H new ATOM 0 HG13 VAL A 41 -0.638 6.879 3.011 1.00 1.00 H new ATOM 0 HG21 VAL A 41 -2.247 9.132 1.654 1.00 1.00 H new ATOM 0 HG22 VAL A 41 -2.958 7.590 2.187 1.00 1.00 H new ATOM 0 HG23 VAL A 41 -3.633 9.130 2.769 1.00 1.00 H new ATOM 664 N GLY A 42 -0.962 7.705 6.802 1.00 1.00 N ATOM 665 CA GLY A 42 -0.362 8.190 8.031 1.00 1.00 C ATOM 666 C GLY A 42 0.513 9.408 7.784 1.00 1.00 C ATOM 667 O GLY A 42 1.036 9.592 6.684 1.00 1.00 O ATOM 0 H GLY A 42 -0.649 6.781 6.505 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -1.146 8.443 8.744 1.00 1.00 H new ATOM 0 HA3 GLY A 42 0.235 7.398 8.482 1.00 1.00 H new ATOM 671 N ARG A 43 0.659 10.256 8.797 1.00 1.00 N ATOM 672 CA ARG A 43 1.456 11.465 8.646 1.00 1.00 C ATOM 673 C ARG A 43 2.917 11.143 8.318 1.00 1.00 C ATOM 674 O ARG A 43 3.512 11.733 7.430 1.00 1.00 O ATOM 675 CB ARG A 43 1.403 12.286 9.925 1.00 1.00 C ATOM 676 CG ARG A 43 1.504 13.784 9.691 1.00 1.00 C ATOM 677 CD ARG A 43 2.950 14.212 9.499 1.00 1.00 C ATOM 678 NE ARG A 43 3.191 14.794 8.178 1.00 1.00 N ATOM 679 CZ ARG A 43 4.307 15.441 7.844 1.00 1.00 C ATOM 680 NH1 ARG A 43 5.280 15.605 8.732 1.00 1.00 N ATOM 681 NH2 ARG A 43 4.454 15.928 6.619 1.00 1.00 N ATOM 0 H ARG A 43 0.241 10.130 9.719 1.00 1.00 H new ATOM 0 HA ARG A 43 1.034 12.033 7.817 1.00 1.00 H new ATOM 0 HB2 ARG A 43 0.471 12.070 10.447 1.00 1.00 H new ATOM 0 HB3 ARG A 43 2.215 11.974 10.581 1.00 1.00 H new ATOM 0 HG2 ARG A 43 0.921 14.058 8.812 1.00 1.00 H new ATOM 0 HG3 ARG A 43 1.073 14.317 10.538 1.00 1.00 H new ATOM 0 HD2 ARG A 43 3.215 14.939 10.267 1.00 1.00 H new ATOM 0 HD3 ARG A 43 3.602 13.350 9.637 1.00 1.00 H new ATOM 0 HE ARG A 43 2.462 14.699 7.471 1.00 1.00 H new ATOM 0 HH11 ARG A 43 5.176 15.235 9.677 1.00 1.00 H new ATOM 0 HH12 ARG A 43 6.132 16.101 8.470 1.00 1.00 H new ATOM 0 HH21 ARG A 43 3.712 15.808 5.930 1.00 1.00 H new ATOM 0 HH22 ARG A 43 5.309 16.423 6.366 1.00 1.00 H new ATOM 695 N ARG A 44 3.487 10.167 8.993 1.00 1.00 N ATOM 696 CA ARG A 44 4.872 9.811 8.727 1.00 1.00 C ATOM 697 C ARG A 44 5.009 9.368 7.284 1.00 1.00 C ATOM 698 O ARG A 44 6.008 9.647 6.622 1.00 1.00 O ATOM 699 CB ARG A 44 5.345 8.706 9.677 1.00 1.00 C ATOM 700 CG ARG A 44 6.048 9.231 10.920 1.00 1.00 C ATOM 701 CD ARG A 44 7.353 9.922 10.566 1.00 1.00 C ATOM 702 NE ARG A 44 7.425 11.281 11.101 1.00 1.00 N ATOM 703 CZ ARG A 44 7.480 11.571 12.400 1.00 1.00 C ATOM 704 NH1 ARG A 44 7.451 10.601 13.304 1.00 1.00 N ATOM 705 NH2 ARG A 44 7.566 12.835 12.793 1.00 1.00 N ATOM 0 H ARG A 44 3.028 9.614 9.716 1.00 1.00 H new ATOM 0 HA ARG A 44 5.501 10.685 8.897 1.00 1.00 H new ATOM 0 HB2 ARG A 44 4.486 8.108 9.981 1.00 1.00 H new ATOM 0 HB3 ARG A 44 6.022 8.042 9.140 1.00 1.00 H new ATOM 0 HG2 ARG A 44 5.394 9.930 11.442 1.00 1.00 H new ATOM 0 HG3 ARG A 44 6.245 8.406 11.605 1.00 1.00 H new ATOM 0 HD2 ARG A 44 8.188 9.337 10.953 1.00 1.00 H new ATOM 0 HD3 ARG A 44 7.462 9.955 9.482 1.00 1.00 H new ATOM 0 HE ARG A 44 7.434 12.056 10.438 1.00 1.00 H new ATOM 0 HH11 ARG A 44 7.386 9.628 13.006 1.00 1.00 H new ATOM 0 HH12 ARG A 44 7.493 10.828 14.297 1.00 1.00 H new ATOM 0 HH21 ARG A 44 7.590 13.584 12.101 1.00 1.00 H new ATOM 0 HH22 ARG A 44 7.608 13.058 13.787 1.00 1.00 H new ATOM 719 N THR A 45 3.993 8.686 6.797 1.00 1.00 N ATOM 720 CA THR A 45 3.976 8.202 5.425 1.00 1.00 C ATOM 721 C THR A 45 3.990 9.369 4.442 1.00 1.00 C ATOM 722 O THR A 45 4.730 9.348 3.462 1.00 1.00 O ATOM 723 CB THR A 45 2.760 7.305 5.170 1.00 1.00 C ATOM 724 OG1 THR A 45 2.707 6.255 6.121 1.00 1.00 O ATOM 725 CG2 THR A 45 2.758 6.670 3.794 1.00 1.00 C ATOM 0 H THR A 45 3.159 8.451 7.334 1.00 1.00 H new ATOM 0 HA THR A 45 4.875 7.606 5.271 1.00 1.00 H new ATOM 0 HB THR A 45 1.895 7.963 5.251 1.00 1.00 H new ATOM 0 HG1 THR A 45 1.870 6.314 6.627 1.00 1.00 H new ATOM 0 HG21 THR A 45 1.870 6.049 3.681 1.00 1.00 H new ATOM 0 HG22 THR A 45 2.754 7.450 3.033 1.00 1.00 H new ATOM 0 HG23 THR A 45 3.649 6.054 3.676 1.00 1.00 H new ATOM 733 N TYR A 46 3.166 10.379 4.709 1.00 1.00 N ATOM 734 CA TYR A 46 3.077 11.555 3.850 1.00 1.00 C ATOM 735 C TYR A 46 4.469 12.084 3.516 1.00 1.00 C ATOM 736 O TYR A 46 4.764 12.450 2.376 1.00 1.00 O ATOM 737 CB TYR A 46 2.255 12.647 4.530 1.00 1.00 C ATOM 738 CG TYR A 46 0.852 12.781 3.998 1.00 1.00 C ATOM 739 CD1 TYR A 46 0.199 11.705 3.413 1.00 1.00 C ATOM 740 CD2 TYR A 46 0.174 13.989 4.091 1.00 1.00 C ATOM 741 CE1 TYR A 46 -1.091 11.828 2.933 1.00 1.00 C ATOM 742 CE2 TYR A 46 -1.115 14.122 3.613 1.00 1.00 C ATOM 743 CZ TYR A 46 -1.742 13.039 3.035 1.00 1.00 C ATOM 744 OH TYR A 46 -3.030 13.167 2.571 1.00 1.00 O ATOM 0 H TYR A 46 2.547 10.405 5.519 1.00 1.00 H new ATOM 0 HA TYR A 46 2.583 11.264 2.923 1.00 1.00 H new ATOM 0 HB2 TYR A 46 2.209 12.440 5.599 1.00 1.00 H new ATOM 0 HB3 TYR A 46 2.769 13.601 4.412 1.00 1.00 H new ATOM 0 HD1 TYR A 46 0.708 10.756 3.332 1.00 1.00 H new ATOM 0 HD2 TYR A 46 0.663 14.839 4.545 1.00 1.00 H new ATOM 0 HE1 TYR A 46 -1.586 10.981 2.481 1.00 1.00 H new ATOM 0 HE2 TYR A 46 -1.629 15.069 3.692 1.00 1.00 H new ATOM 0 HH TYR A 46 -3.493 12.307 2.651 1.00 1.00 H new ATOM 754 N GLU A 47 5.324 12.122 4.526 1.00 1.00 N ATOM 755 CA GLU A 47 6.684 12.606 4.353 1.00 1.00 C ATOM 756 C GLU A 47 7.363 11.877 3.196 1.00 1.00 C ATOM 757 O GLU A 47 8.167 12.459 2.477 1.00 1.00 O ATOM 758 CB GLU A 47 7.491 12.415 5.632 1.00 1.00 C ATOM 759 CG GLU A 47 7.148 13.401 6.736 1.00 1.00 C ATOM 760 CD GLU A 47 8.265 14.403 6.984 1.00 1.00 C ATOM 761 OE1 GLU A 47 9.308 14.003 7.545 1.00 1.00 O ATOM 762 OE2 GLU A 47 8.098 15.584 6.612 1.00 1.00 O ATOM 0 H GLU A 47 5.100 11.823 5.475 1.00 1.00 H new ATOM 0 HA GLU A 47 6.640 13.671 4.125 1.00 1.00 H new ATOM 0 HB2 GLU A 47 7.331 11.402 6.002 1.00 1.00 H new ATOM 0 HB3 GLU A 47 8.551 12.505 5.396 1.00 1.00 H new ATOM 0 HG2 GLU A 47 6.236 13.936 6.472 1.00 1.00 H new ATOM 0 HG3 GLU A 47 6.942 12.855 7.657 1.00 1.00 H new ATOM 769 N SER A 48 7.028 10.598 3.020 1.00 1.00 N ATOM 770 CA SER A 48 7.611 9.788 1.959 1.00 1.00 C ATOM 771 C SER A 48 6.880 10.030 0.637 1.00 1.00 C ATOM 772 O SER A 48 7.499 10.048 -0.426 1.00 1.00 O ATOM 773 CB SER A 48 7.542 8.305 2.341 1.00 1.00 C ATOM 774 OG SER A 48 8.015 7.475 1.299 1.00 1.00 O ATOM 0 H SER A 48 6.353 10.103 3.603 1.00 1.00 H new ATOM 0 HA SER A 48 8.655 10.074 1.831 1.00 1.00 H new ATOM 0 HB2 SER A 48 8.133 8.133 3.240 1.00 1.00 H new ATOM 0 HB3 SER A 48 6.513 8.038 2.580 1.00 1.00 H new ATOM 0 HG SER A 48 7.958 6.537 1.577 1.00 1.00 H new ATOM 780 N PHE A 49 5.561 10.205 0.709 1.00 1.00 N ATOM 781 CA PHE A 49 4.747 10.435 -0.494 1.00 1.00 C ATOM 782 C PHE A 49 5.380 11.475 -1.417 1.00 1.00 C ATOM 783 O PHE A 49 5.416 12.671 -1.096 1.00 1.00 O ATOM 784 CB PHE A 49 3.344 10.907 -0.096 1.00 1.00 C ATOM 785 CG PHE A 49 2.354 9.783 0.076 1.00 1.00 C ATOM 786 CD1 PHE A 49 2.779 8.517 0.452 1.00 1.00 C ATOM 787 CD2 PHE A 49 1.001 9.993 -0.131 1.00 1.00 C ATOM 788 CE1 PHE A 49 1.872 7.486 0.616 1.00 1.00 C ATOM 789 CE2 PHE A 49 0.091 8.968 0.034 1.00 1.00 C ATOM 790 CZ PHE A 49 0.527 7.712 0.406 1.00 1.00 C ATOM 0 H PHE A 49 5.031 10.193 1.581 1.00 1.00 H new ATOM 0 HA PHE A 49 4.687 9.489 -1.032 1.00 1.00 H new ATOM 0 HB2 PHE A 49 3.410 11.468 0.836 1.00 1.00 H new ATOM 0 HB3 PHE A 49 2.972 11.594 -0.856 1.00 1.00 H new ATOM 0 HD1 PHE A 49 3.830 8.335 0.619 1.00 1.00 H new ATOM 0 HD2 PHE A 49 0.653 10.972 -0.426 1.00 1.00 H new ATOM 0 HE1 PHE A 49 2.216 6.505 0.908 1.00 1.00 H new ATOM 0 HE2 PHE A 49 -0.961 9.149 -0.128 1.00 1.00 H new ATOM 0 HZ PHE A 49 -0.183 6.908 0.532 1.00 1.00 H new ATOM 800 N PRO A 50 5.892 11.044 -2.585 1.00 1.00 N ATOM 801 CA PRO A 50 6.525 11.949 -3.558 1.00 1.00 C ATOM 802 C PRO A 50 5.528 12.929 -4.154 1.00 1.00 C ATOM 803 O PRO A 50 5.884 14.056 -4.516 1.00 1.00 O ATOM 804 CB PRO A 50 7.043 11.002 -4.654 1.00 1.00 C ATOM 805 CG PRO A 50 7.048 9.655 -4.022 1.00 1.00 C ATOM 806 CD PRO A 50 5.898 9.652 -3.065 1.00 1.00 C ATOM 0 HA PRO A 50 7.303 12.557 -3.097 1.00 1.00 H new ATOM 0 HB2 PRO A 50 6.399 11.024 -5.533 1.00 1.00 H new ATOM 0 HB3 PRO A 50 8.042 11.288 -4.984 1.00 1.00 H new ATOM 0 HG2 PRO A 50 6.936 8.871 -4.771 1.00 1.00 H new ATOM 0 HG3 PRO A 50 7.989 9.469 -3.504 1.00 1.00 H new ATOM 0 HD2 PRO A 50 4.961 9.386 -3.554 1.00 1.00 H new ATOM 0 HD3 PRO A 50 6.046 8.941 -2.252 1.00 1.00 H new ATOM 814 N LYS A 51 4.279 12.497 -4.261 1.00 1.00 N ATOM 815 CA LYS A 51 3.218 13.333 -4.821 1.00 1.00 C ATOM 816 C LYS A 51 2.013 13.353 -3.893 1.00 1.00 C ATOM 817 O LYS A 51 1.076 12.570 -4.056 1.00 1.00 O ATOM 818 CB LYS A 51 2.804 12.828 -6.205 1.00 1.00 C ATOM 819 CG LYS A 51 3.907 12.934 -7.255 1.00 1.00 C ATOM 820 CD LYS A 51 3.334 13.247 -8.637 1.00 1.00 C ATOM 821 CE LYS A 51 4.133 12.559 -9.736 1.00 1.00 C ATOM 822 NZ LYS A 51 5.508 13.112 -9.843 1.00 1.00 N ATOM 0 H LYS A 51 3.972 11.570 -3.967 1.00 1.00 H new ATOM 0 HA LYS A 51 3.603 14.348 -4.922 1.00 1.00 H new ATOM 0 HB2 LYS A 51 2.492 11.787 -6.123 1.00 1.00 H new ATOM 0 HB3 LYS A 51 1.937 13.395 -6.544 1.00 1.00 H new ATOM 0 HG2 LYS A 51 4.612 13.714 -6.967 1.00 1.00 H new ATOM 0 HG3 LYS A 51 4.465 11.998 -7.294 1.00 1.00 H new ATOM 0 HD2 LYS A 51 2.294 12.924 -8.684 1.00 1.00 H new ATOM 0 HD3 LYS A 51 3.340 14.325 -8.800 1.00 1.00 H new ATOM 0 HE2 LYS A 51 4.186 11.489 -9.533 1.00 1.00 H new ATOM 0 HE3 LYS A 51 3.618 12.677 -10.689 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 6.022 12.620 -10.601 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 5.458 14.128 -10.062 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 6.008 12.976 -8.941 1.00 1.00 H new ATOM 836 N ARG A 52 2.043 14.248 -2.918 1.00 1.00 N ATOM 837 CA ARG A 52 0.956 14.376 -1.965 1.00 1.00 C ATOM 838 C ARG A 52 0.474 15.830 -1.902 1.00 1.00 C ATOM 839 O ARG A 52 1.283 16.757 -1.879 1.00 1.00 O ATOM 840 CB ARG A 52 1.422 13.925 -0.579 1.00 1.00 C ATOM 841 CG ARG A 52 0.499 14.338 0.558 1.00 1.00 C ATOM 842 CD ARG A 52 1.150 15.374 1.465 1.00 1.00 C ATOM 843 NE ARG A 52 1.699 16.508 0.715 1.00 1.00 N ATOM 844 CZ ARG A 52 2.980 16.681 0.405 1.00 1.00 C ATOM 845 NH1 ARG A 52 3.876 15.749 0.709 1.00 1.00 N ATOM 846 NH2 ARG A 52 3.368 17.789 -0.212 1.00 1.00 N ATOM 0 H ARG A 52 2.814 14.899 -2.767 1.00 1.00 H new ATOM 0 HA ARG A 52 0.130 13.744 -2.289 1.00 1.00 H new ATOM 0 HB2 ARG A 52 1.519 12.839 -0.577 1.00 1.00 H new ATOM 0 HB3 ARG A 52 2.415 14.334 -0.392 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -0.425 14.744 0.147 1.00 1.00 H new ATOM 0 HG3 ARG A 52 0.229 13.460 1.144 1.00 1.00 H new ATOM 0 HD2 ARG A 52 0.414 15.738 2.182 1.00 1.00 H new ATOM 0 HD3 ARG A 52 1.947 14.901 2.038 1.00 1.00 H new ATOM 0 HE ARG A 52 1.043 17.225 0.405 1.00 1.00 H new ATOM 0 HH11 ARG A 52 3.583 14.895 1.183 1.00 1.00 H new ATOM 0 HH12 ARG A 52 4.858 15.887 0.469 1.00 1.00 H new ATOM 0 HH21 ARG A 52 2.684 18.508 -0.448 1.00 1.00 H new ATOM 0 HH22 ARG A 52 4.351 17.923 -0.450 1.00 1.00 H new ATOM 860 N PRO A 53 -0.856 16.061 -1.883 1.00 1.00 N ATOM 861 CA PRO A 53 -1.876 15.005 -1.911 1.00 1.00 C ATOM 862 C PRO A 53 -2.238 14.557 -3.319 1.00 1.00 C ATOM 863 O PRO A 53 -1.597 14.958 -4.297 1.00 1.00 O ATOM 864 CB PRO A 53 -3.061 15.701 -1.261 1.00 1.00 C ATOM 865 CG PRO A 53 -2.946 17.109 -1.731 1.00 1.00 C ATOM 866 CD PRO A 53 -1.470 17.398 -1.824 1.00 1.00 C ATOM 0 HA PRO A 53 -1.542 14.093 -1.416 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -4.006 15.253 -1.568 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -3.016 15.637 -0.174 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -3.430 17.238 -2.699 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -3.434 17.793 -1.037 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -1.232 17.987 -2.710 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -1.117 17.963 -0.961 1.00 1.00 H new ATOM 874 N LEU A 54 -3.274 13.722 -3.416 1.00 1.00 N ATOM 875 CA LEU A 54 -3.734 13.200 -4.701 1.00 1.00 C ATOM 876 C LEU A 54 -4.895 14.035 -5.248 1.00 1.00 C ATOM 877 O LEU A 54 -5.732 14.533 -4.483 1.00 1.00 O ATOM 878 CB LEU A 54 -4.184 11.749 -4.540 1.00 1.00 C ATOM 879 CG LEU A 54 -3.095 10.765 -4.105 1.00 1.00 C ATOM 880 CD1 LEU A 54 -3.159 10.527 -2.609 1.00 1.00 C ATOM 881 CD2 LEU A 54 -3.229 9.449 -4.869 1.00 1.00 C ATOM 0 H LEU A 54 -3.812 13.392 -2.615 1.00 1.00 H new ATOM 0 HA LEU A 54 -2.905 13.253 -5.406 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -4.992 11.717 -3.809 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -4.599 11.408 -5.489 1.00 1.00 H new ATOM 0 HG LEU A 54 -2.123 11.199 -4.339 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -2.377 9.825 -2.319 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -3.012 11.471 -2.084 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -4.133 10.114 -2.348 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -2.447 8.761 -4.548 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -4.206 9.009 -4.667 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -3.130 9.637 -5.938 1.00 1.00 H new ATOM 893 N PRO A 55 -4.960 14.201 -6.580 1.00 1.00 N ATOM 894 CA PRO A 55 -6.019 14.977 -7.231 1.00 1.00 C ATOM 895 C PRO A 55 -7.335 14.211 -7.329 1.00 1.00 C ATOM 896 O PRO A 55 -7.360 13.039 -7.696 1.00 1.00 O ATOM 897 CB PRO A 55 -5.436 15.237 -8.618 1.00 1.00 C ATOM 898 CG PRO A 55 -4.590 14.041 -8.888 1.00 1.00 C ATOM 899 CD PRO A 55 -4.004 13.644 -7.568 1.00 1.00 C ATOM 0 HA PRO A 55 -6.273 15.881 -6.677 1.00 1.00 H new ATOM 0 HB2 PRO A 55 -6.221 15.347 -9.366 1.00 1.00 H new ATOM 0 HB3 PRO A 55 -4.847 16.154 -8.637 1.00 1.00 H new ATOM 0 HG2 PRO A 55 -5.184 13.231 -9.311 1.00 1.00 H new ATOM 0 HG3 PRO A 55 -3.806 14.272 -9.609 1.00 1.00 H new ATOM 0 HD2 PRO A 55 -3.919 12.561 -7.477 1.00 1.00 H new ATOM 0 HD3 PRO A 55 -3.004 14.055 -7.434 1.00 1.00 H new ATOM 907 N GLU A 56 -8.427 14.878 -6.984 1.00 1.00 N ATOM 908 CA GLU A 56 -9.755 14.260 -7.026 1.00 1.00 C ATOM 909 C GLU A 56 -9.767 12.929 -6.277 1.00 1.00 C ATOM 910 O GLU A 56 -10.128 11.903 -6.831 1.00 1.00 O ATOM 911 CB GLU A 56 -10.196 14.051 -8.472 1.00 1.00 C ATOM 912 CG GLU A 56 -10.467 15.346 -9.213 1.00 1.00 C ATOM 913 CD GLU A 56 -9.817 15.388 -10.586 1.00 1.00 C ATOM 914 OE1 GLU A 56 -9.693 14.316 -11.215 1.00 1.00 O ATOM 915 OE2 GLU A 56 -9.423 16.489 -11.025 1.00 1.00 O ATOM 0 H GLU A 56 -8.425 15.849 -6.671 1.00 1.00 H new ATOM 0 HA GLU A 56 -10.456 14.934 -6.534 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -9.424 13.493 -9.002 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -11.098 13.439 -8.484 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -11.543 15.478 -9.322 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -10.102 16.183 -8.618 1.00 1.00 H new ATOM 922 N ARG A 57 -9.352 12.956 -5.013 1.00 1.00 N ATOM 923 CA ARG A 57 -9.305 11.745 -4.211 1.00 1.00 C ATOM 924 C ARG A 57 -9.646 12.054 -2.760 1.00 1.00 C ATOM 925 O ARG A 57 -9.122 13.001 -2.173 1.00 1.00 O ATOM 926 CB ARG A 57 -7.911 11.120 -4.287 1.00 1.00 C ATOM 927 CG ARG A 57 -7.880 9.725 -4.870 1.00 1.00 C ATOM 928 CD ARG A 57 -7.819 9.753 -6.385 1.00 1.00 C ATOM 929 NE ARG A 57 -6.452 9.643 -6.888 1.00 1.00 N ATOM 930 CZ ARG A 57 -6.141 9.602 -8.182 1.00 1.00 C ATOM 931 NH1 ARG A 57 -7.095 9.647 -9.102 1.00 1.00 N ATOM 932 NH2 ARG A 57 -4.871 9.520 -8.556 1.00 1.00 N ATOM 0 H ARG A 57 -9.046 13.799 -4.528 1.00 1.00 H new ATOM 0 HA ARG A 57 -10.039 11.042 -4.605 1.00 1.00 H new ATOM 0 HB2 ARG A 57 -7.270 11.765 -4.887 1.00 1.00 H new ATOM 0 HB3 ARG A 57 -7.485 11.091 -3.284 1.00 1.00 H new ATOM 0 HG2 ARG A 57 -7.016 9.187 -4.481 1.00 1.00 H new ATOM 0 HG3 ARG A 57 -8.767 9.177 -4.551 1.00 1.00 H new ATOM 0 HD2 ARG A 57 -8.418 8.935 -6.785 1.00 1.00 H new ATOM 0 HD3 ARG A 57 -8.263 10.680 -6.747 1.00 1.00 H new ATOM 0 HE ARG A 57 -5.692 9.595 -6.209 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -8.073 9.713 -8.820 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -6.851 9.615 -10.092 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -4.133 9.488 -7.852 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -4.632 9.489 -9.547 1.00 1.00 H new ATOM 946 N THR A 58 -10.529 11.246 -2.186 1.00 1.00 N ATOM 947 CA THR A 58 -10.938 11.428 -0.804 1.00 1.00 C ATOM 948 C THR A 58 -9.893 10.871 0.161 1.00 1.00 C ATOM 949 O THR A 58 -10.050 9.770 0.688 1.00 1.00 O ATOM 950 CB THR A 58 -12.288 10.751 -0.549 1.00 1.00 C ATOM 951 OG1 THR A 58 -12.191 9.352 -0.787 1.00 1.00 O ATOM 952 CG2 THR A 58 -13.410 11.287 -1.417 1.00 1.00 C ATOM 0 H THR A 58 -10.974 10.459 -2.658 1.00 1.00 H new ATOM 0 HA THR A 58 -11.035 12.499 -0.628 1.00 1.00 H new ATOM 0 HB THR A 58 -12.529 10.967 0.492 1.00 1.00 H new ATOM 0 HG1 THR A 58 -12.922 9.069 -1.375 1.00 1.00 H new ATOM 0 HG21 THR A 58 -14.335 10.761 -1.181 1.00 1.00 H new ATOM 0 HG22 THR A 58 -13.540 12.352 -1.227 1.00 1.00 H new ATOM 0 HG23 THR A 58 -13.163 11.133 -2.467 1.00 1.00 H new ATOM 960 N ASN A 59 -8.827 11.637 0.391 1.00 1.00 N ATOM 961 CA ASN A 59 -7.753 11.229 1.295 1.00 1.00 C ATOM 962 C ASN A 59 -7.877 11.929 2.640 1.00 1.00 C ATOM 963 O ASN A 59 -8.245 13.100 2.700 1.00 1.00 O ATOM 964 CB ASN A 59 -6.391 11.517 0.677 1.00 1.00 C ATOM 965 CG ASN A 59 -5.859 10.333 -0.100 1.00 1.00 C ATOM 966 OD1 ASN A 59 -6.566 9.962 -1.160 1.00 1.00 O flip ATOM 967 ND2 ASN A 59 -4.818 9.766 0.230 1.00 1.00 N flip ATOM 0 H ASN A 59 -8.684 12.550 -0.040 1.00 1.00 H new ATOM 0 HA ASN A 59 -7.843 10.155 1.457 1.00 1.00 H new ATOM 0 HB2 ASN A 59 -6.468 12.380 0.015 1.00 1.00 H new ATOM 0 HB3 ASN A 59 -5.684 11.781 1.464 1.00 1.00 H new ATOM 0 HD21 ASN A 59 -4.304 10.082 1.052 1.00 1.00 H new ATOM 0 HD22 ASN A 59 -4.469 8.980 -0.319 1.00 1.00 H new ATOM 974 N VAL A 60 -7.577 11.214 3.715 1.00 1.00 N ATOM 975 CA VAL A 60 -7.664 11.781 5.055 1.00 1.00 C ATOM 976 C VAL A 60 -6.320 11.699 5.762 1.00 1.00 C ATOM 977 O VAL A 60 -5.721 10.627 5.839 1.00 1.00 O ATOM 978 CB VAL A 60 -8.736 11.068 5.901 1.00 1.00 C ATOM 979 CG1 VAL A 60 -10.056 10.983 5.126 1.00 1.00 C ATOM 980 CG2 VAL A 60 -8.262 9.690 6.323 1.00 1.00 C ATOM 0 H VAL A 60 -7.271 10.241 3.687 1.00 1.00 H new ATOM 0 HA VAL A 60 -7.950 12.827 4.946 1.00 1.00 H new ATOM 0 HB VAL A 60 -8.908 11.652 6.806 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -10.804 10.477 5.736 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -10.403 11.988 4.887 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -9.901 10.423 4.204 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -9.036 9.206 6.919 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -8.057 9.089 5.437 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -7.352 9.784 6.916 1.00 1.00 H new ATOM 990 N VAL A 61 -5.859 12.826 6.295 1.00 1.00 N ATOM 991 CA VAL A 61 -4.593 12.843 7.001 1.00 1.00 C ATOM 992 C VAL A 61 -4.761 12.205 8.366 1.00 1.00 C ATOM 993 O VAL A 61 -5.715 12.497 9.069 1.00 1.00 O ATOM 994 CB VAL A 61 -4.042 14.277 7.181 1.00 1.00 C ATOM 995 CG1 VAL A 61 -3.369 14.421 8.538 1.00 1.00 C ATOM 996 CG2 VAL A 61 -3.063 14.622 6.058 1.00 1.00 C ATOM 0 H VAL A 61 -6.339 13.725 6.250 1.00 1.00 H new ATOM 0 HA VAL A 61 -3.879 12.281 6.399 1.00 1.00 H new ATOM 0 HB VAL A 61 -4.878 14.975 7.134 1.00 1.00 H new ATOM 0 HG11 VAL A 61 -2.987 15.436 8.649 1.00 1.00 H new ATOM 0 HG12 VAL A 61 -4.093 14.218 9.327 1.00 1.00 H new ATOM 0 HG13 VAL A 61 -2.544 13.712 8.612 1.00 1.00 H new ATOM 0 HG21 VAL A 61 -2.686 15.635 6.202 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -2.230 13.919 6.073 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -3.574 14.558 5.097 1.00 1.00 H new ATOM 1006 N LEU A 62 -3.839 11.333 8.755 1.00 1.00 N ATOM 1007 CA LEU A 62 -3.936 10.693 10.061 1.00 1.00 C ATOM 1008 C LEU A 62 -3.025 11.399 11.049 1.00 1.00 C ATOM 1009 O LEU A 62 -1.831 11.507 10.813 1.00 1.00 O ATOM 1010 CB LEU A 62 -3.542 9.217 9.950 1.00 1.00 C ATOM 1011 CG LEU A 62 -4.574 8.237 10.491 1.00 1.00 C ATOM 1012 CD1 LEU A 62 -4.130 6.805 10.236 1.00 1.00 C ATOM 1013 CD2 LEU A 62 -4.814 8.480 11.974 1.00 1.00 C ATOM 0 H LEU A 62 -3.031 11.057 8.198 1.00 1.00 H new ATOM 0 HA LEU A 62 -4.965 10.759 10.415 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -3.355 8.984 8.902 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -2.603 9.065 10.483 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.516 8.397 9.967 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.878 6.117 10.629 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -4.017 6.645 9.164 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -3.176 6.626 10.733 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -5.554 7.771 12.344 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -3.880 8.348 12.520 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -5.180 9.496 12.122 1.00 1.00 H new ATOM 1025 N THR A 63 -3.612 11.872 12.152 1.00 1.00 N ATOM 1026 CA THR A 63 -2.844 12.575 13.170 1.00 1.00 C ATOM 1027 C THR A 63 -3.217 12.103 14.562 1.00 1.00 C ATOM 1028 O THR A 63 -4.299 11.590 14.779 1.00 1.00 O ATOM 1029 CB THR A 63 -3.059 14.091 13.062 1.00 1.00 C ATOM 1030 OG1 THR A 63 -4.445 14.401 13.058 1.00 1.00 O ATOM 1031 CG2 THR A 63 -2.434 14.707 11.821 1.00 1.00 C ATOM 0 H THR A 63 -4.607 11.780 12.357 1.00 1.00 H new ATOM 0 HA THR A 63 -1.791 12.352 12.999 1.00 1.00 H new ATOM 0 HB THR A 63 -2.564 14.516 13.935 1.00 1.00 H new ATOM 0 HG1 THR A 63 -4.688 14.825 13.907 1.00 1.00 H new ATOM 0 HG21 THR A 63 -2.626 15.780 11.811 1.00 1.00 H new ATOM 0 HG22 THR A 63 -1.358 14.531 11.830 1.00 1.00 H new ATOM 0 HG23 THR A 63 -2.869 14.253 10.931 1.00 1.00 H new ATOM 1039 N HIS A 64 -2.305 12.294 15.494 1.00 1.00 N ATOM 1040 CA HIS A 64 -2.537 11.892 16.874 1.00 1.00 C ATOM 1041 C HIS A 64 -3.660 12.731 17.483 1.00 1.00 C ATOM 1042 O HIS A 64 -4.513 12.218 18.205 1.00 1.00 O ATOM 1043 CB HIS A 64 -1.255 12.039 17.711 1.00 1.00 C ATOM 1044 CG HIS A 64 -0.544 10.753 17.962 1.00 1.00 C ATOM 1045 ND1 HIS A 64 -0.047 10.391 19.196 1.00 1.00 N ATOM 1046 CD2 HIS A 64 -0.254 9.727 17.127 1.00 1.00 C ATOM 1047 CE1 HIS A 64 0.519 9.199 19.108 1.00 1.00 C ATOM 1048 NE2 HIS A 64 0.405 8.775 17.863 1.00 1.00 N ATOM 0 H HIS A 64 -1.396 12.724 15.325 1.00 1.00 H new ATOM 0 HA HIS A 64 -2.831 10.842 16.880 1.00 1.00 H new ATOM 0 HB2 HIS A 64 -0.577 12.724 17.201 1.00 1.00 H new ATOM 0 HB3 HIS A 64 -1.508 12.495 18.668 1.00 1.00 H new ATOM 0 HD2 HIS A 64 -0.497 9.669 16.076 1.00 1.00 H new ATOM 0 HE1 HIS A 64 0.994 8.664 19.917 1.00 1.00 H new ATOM 0 HE2 HIS A 64 0.751 7.884 17.506 1.00 1.00 H new ATOM 1057 N GLN A 65 -3.632 14.029 17.190 1.00 1.00 N ATOM 1058 CA GLN A 65 -4.632 14.956 17.703 1.00 1.00 C ATOM 1059 C GLN A 65 -5.628 15.395 16.622 1.00 1.00 C ATOM 1060 O GLN A 65 -5.237 15.763 15.523 1.00 1.00 O ATOM 1061 CB GLN A 65 -3.957 16.192 18.297 1.00 1.00 C ATOM 1062 CG GLN A 65 -3.115 15.899 19.526 1.00 1.00 C ATOM 1063 CD GLN A 65 -2.688 17.151 20.244 1.00 1.00 C ATOM 1064 OE1 GLN A 65 -1.580 17.649 20.048 1.00 1.00 O ATOM 1065 NE2 GLN A 65 -3.572 17.682 21.082 1.00 1.00 N ATOM 0 H GLN A 65 -2.924 14.462 16.597 1.00 1.00 H new ATOM 0 HA GLN A 65 -5.186 14.425 18.477 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -3.325 16.651 17.536 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -4.723 16.922 18.558 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -3.683 15.268 20.209 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -2.231 15.334 19.231 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -4.480 17.237 21.215 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -3.343 18.535 21.592 1.00 1.00 H new ATOM 1074 N GLU A 66 -6.913 15.351 16.954 1.00 1.00 N ATOM 1075 CA GLU A 66 -7.982 15.743 16.031 1.00 1.00 C ATOM 1076 C GLU A 66 -7.928 17.243 15.746 1.00 1.00 C ATOM 1077 O GLU A 66 -8.264 17.704 14.663 1.00 1.00 O ATOM 1078 CB GLU A 66 -9.349 15.369 16.599 1.00 1.00 C ATOM 1079 CG GLU A 66 -9.584 15.942 17.990 1.00 1.00 C ATOM 1080 CD GLU A 66 -10.556 17.105 17.995 1.00 1.00 C ATOM 1081 OE1 GLU A 66 -11.753 16.866 17.730 1.00 1.00 O ATOM 1082 OE2 GLU A 66 -10.129 18.247 18.261 1.00 1.00 O ATOM 0 H GLU A 66 -7.247 15.044 17.867 1.00 1.00 H new ATOM 0 HA GLU A 66 -7.832 15.204 15.095 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -10.128 15.728 15.926 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -9.437 14.283 16.638 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -9.964 15.155 18.642 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -8.632 16.270 18.408 1.00 1.00 H new ATOM 1089 N ASP A 67 -7.555 17.997 16.764 1.00 1.00 N ATOM 1090 CA ASP A 67 -7.493 19.448 16.673 1.00 1.00 C ATOM 1091 C ASP A 67 -6.432 19.911 15.670 1.00 1.00 C ATOM 1092 O ASP A 67 -6.597 20.949 15.037 1.00 1.00 O ATOM 1093 CB ASP A 67 -7.209 20.071 18.043 1.00 1.00 C ATOM 1094 CG ASP A 67 -8.144 21.225 18.344 1.00 1.00 C ATOM 1095 OD1 ASP A 67 -8.336 22.080 17.452 1.00 1.00 O ATOM 1096 OD2 ASP A 67 -8.696 21.268 19.463 1.00 1.00 O ATOM 0 H ASP A 67 -7.287 17.624 17.675 1.00 1.00 H new ATOM 0 HA ASP A 67 -8.468 19.784 16.320 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -7.311 19.310 18.816 1.00 1.00 H new ATOM 0 HB3 ASP A 67 -6.177 20.422 18.076 1.00 1.00 H new ATOM 1101 N TYR A 68 -5.332 19.176 15.549 1.00 1.00 N ATOM 1102 CA TYR A 68 -4.259 19.577 14.633 1.00 1.00 C ATOM 1103 C TYR A 68 -4.774 19.668 13.199 1.00 1.00 C ATOM 1104 O TYR A 68 -5.497 18.788 12.725 1.00 1.00 O ATOM 1105 CB TYR A 68 -3.108 18.569 14.710 1.00 1.00 C ATOM 1106 CG TYR A 68 -1.857 19.118 15.347 1.00 1.00 C ATOM 1107 CD1 TYR A 68 -1.658 19.037 16.721 1.00 1.00 C ATOM 1108 CD2 TYR A 68 -0.874 19.729 14.575 1.00 1.00 C ATOM 1109 CE1 TYR A 68 -0.516 19.547 17.307 1.00 1.00 C ATOM 1110 CE2 TYR A 68 0.271 20.241 15.155 1.00 1.00 C ATOM 1111 CZ TYR A 68 0.445 20.148 16.520 1.00 1.00 C ATOM 1112 OH TYR A 68 1.585 20.646 17.110 1.00 1.00 O ATOM 0 H TYR A 68 -5.156 18.312 16.062 1.00 1.00 H new ATOM 0 HA TYR A 68 -3.900 20.562 14.932 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -3.439 17.697 15.274 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -2.871 18.226 13.703 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -2.409 18.568 17.340 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -1.008 19.804 13.506 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -0.376 19.476 18.376 1.00 1.00 H new ATOM 0 HE2 TYR A 68 1.026 20.712 14.542 1.00 1.00 H new ATOM 0 HH TYR A 68 2.165 21.037 16.423 1.00 1.00 H new ATOM 1122 N GLN A 69 -4.393 20.759 12.533 1.00 1.00 N ATOM 1123 CA GLN A 69 -4.807 21.022 11.167 1.00 1.00 C ATOM 1124 C GLN A 69 -3.987 20.234 10.146 1.00 1.00 C ATOM 1125 O GLN A 69 -2.773 20.121 10.260 1.00 1.00 O ATOM 1126 CB GLN A 69 -4.657 22.511 10.905 1.00 1.00 C ATOM 1127 CG GLN A 69 -5.986 23.227 10.721 1.00 1.00 C ATOM 1128 CD GLN A 69 -5.821 24.653 10.242 1.00 1.00 C ATOM 1129 OE1 GLN A 69 -4.752 25.309 10.676 1.00 1.00 O flip ATOM 1130 NE2 GLN A 69 -6.661 25.166 9.503 1.00 1.00 N flip ATOM 0 H GLN A 69 -3.790 21.480 12.930 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.843 20.703 11.054 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -4.119 22.967 11.736 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.048 22.656 10.013 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -6.595 22.676 10.004 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -6.528 23.226 11.667 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -7.468 24.624 9.194 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.551 26.134 9.200 1.00 1.00 H new ATOM 1139 N ALA A 70 -4.664 19.712 9.144 1.00 1.00 N ATOM 1140 CA ALA A 70 -4.022 18.960 8.072 1.00 1.00 C ATOM 1141 C ALA A 70 -4.453 19.539 6.724 1.00 1.00 C ATOM 1142 O ALA A 70 -5.574 20.027 6.585 1.00 1.00 O ATOM 1143 CB ALA A 70 -4.368 17.488 8.155 1.00 1.00 C ATOM 0 H ALA A 70 -5.676 19.794 9.045 1.00 1.00 H new ATOM 0 HA ALA A 70 -2.941 19.048 8.176 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -3.876 16.952 7.344 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -4.030 17.088 9.111 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -5.447 17.363 8.070 1.00 1.00 H new ATOM 1149 N GLN A 71 -3.556 19.504 5.743 1.00 1.00 N ATOM 1150 CA GLN A 71 -3.857 20.049 4.425 1.00 1.00 C ATOM 1151 C GLN A 71 -4.115 18.973 3.377 1.00 1.00 C ATOM 1152 O GLN A 71 -3.344 18.038 3.211 1.00 1.00 O ATOM 1153 CB GLN A 71 -2.694 20.931 3.943 1.00 1.00 C ATOM 1154 CG GLN A 71 -3.124 22.032 3.001 1.00 1.00 C ATOM 1155 CD GLN A 71 -3.227 23.373 3.694 1.00 1.00 C ATOM 1156 OE1 GLN A 71 -2.369 24.240 3.527 1.00 1.00 O ATOM 1157 NE2 GLN A 71 -4.287 23.556 4.472 1.00 1.00 N ATOM 0 H GLN A 71 -2.621 19.107 5.835 1.00 1.00 H new ATOM 0 HA GLN A 71 -4.771 20.632 4.537 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -2.202 21.375 4.808 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -1.955 20.304 3.444 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -2.411 22.104 2.180 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -4.089 21.777 2.564 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -4.974 22.810 4.582 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -4.415 24.443 4.960 1.00 1.00 H new ATOM 1166 N GLY A 72 -5.203 19.140 2.654 1.00 1.00 N ATOM 1167 CA GLY A 72 -5.545 18.226 1.582 1.00 1.00 C ATOM 1168 C GLY A 72 -6.182 16.936 2.051 1.00 1.00 C ATOM 1169 O GLY A 72 -6.634 16.146 1.223 1.00 1.00 O ATOM 0 H GLY A 72 -5.868 19.902 2.789 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -6.227 18.727 0.895 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -4.642 17.989 1.019 1.00 1.00 H new ATOM 1173 N ALA A 73 -6.230 16.699 3.364 1.00 1.00 N ATOM 1174 CA ALA A 73 -6.840 15.474 3.867 1.00 1.00 C ATOM 1175 C ALA A 73 -7.489 15.651 5.247 1.00 1.00 C ATOM 1176 O ALA A 73 -6.954 16.332 6.115 1.00 1.00 O ATOM 1177 CB ALA A 73 -5.805 14.371 3.904 1.00 1.00 C ATOM 0 H ALA A 73 -5.862 17.325 4.081 1.00 1.00 H new ATOM 0 HA ALA A 73 -7.645 15.206 3.182 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -6.262 13.456 4.280 1.00 1.00 H new ATOM 0 HB2 ALA A 73 -5.421 14.198 2.899 1.00 1.00 H new ATOM 0 HB3 ALA A 73 -4.985 14.663 4.560 1.00 1.00 H new ATOM 1183 N VAL A 74 -8.625 14.988 5.451 1.00 1.00 N ATOM 1184 CA VAL A 74 -9.347 15.050 6.731 1.00 1.00 C ATOM 1185 C VAL A 74 -8.533 14.459 7.874 1.00 1.00 C ATOM 1186 O VAL A 74 -7.885 13.423 7.718 1.00 1.00 O ATOM 1187 CB VAL A 74 -10.686 14.291 6.631 1.00 1.00 C ATOM 1188 CG1 VAL A 74 -11.341 14.203 8.005 1.00 1.00 C ATOM 1189 CG2 VAL A 74 -11.610 14.973 5.640 1.00 1.00 C ATOM 0 H VAL A 74 -9.071 14.399 4.748 1.00 1.00 H new ATOM 0 HA VAL A 74 -9.527 16.104 6.942 1.00 1.00 H new ATOM 0 HB VAL A 74 -10.491 13.280 6.273 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -12.286 13.665 7.924 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -10.679 13.673 8.690 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -11.527 15.208 8.385 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -12.550 14.424 5.582 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -11.805 15.994 5.968 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -11.139 14.992 4.657 1.00 1.00 H new ATOM 1199 N VAL A 75 -8.554 15.128 9.025 1.00 1.00 N ATOM 1200 CA VAL A 75 -7.789 14.660 10.185 1.00 1.00 C ATOM 1201 C VAL A 75 -8.646 13.849 11.158 1.00 1.00 C ATOM 1202 O VAL A 75 -9.590 14.356 11.750 1.00 1.00 O ATOM 1203 CB VAL A 75 -7.171 15.847 10.951 1.00 1.00 C ATOM 1204 CG1 VAL A 75 -7.175 15.589 12.447 1.00 1.00 C ATOM 1205 CG2 VAL A 75 -5.756 16.142 10.469 1.00 1.00 C ATOM 0 H VAL A 75 -9.084 15.985 9.182 1.00 1.00 H new ATOM 0 HA VAL A 75 -7.003 14.016 9.791 1.00 1.00 H new ATOM 0 HB VAL A 75 -7.788 16.723 10.749 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -6.734 16.441 12.964 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -8.200 15.448 12.789 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -6.594 14.693 12.663 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -5.349 16.984 11.029 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -5.128 15.265 10.625 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -5.777 16.389 9.407 1.00 1.00 H new ATOM 1215 N VAL A 76 -8.267 12.595 11.321 1.00 1.00 N ATOM 1216 CA VAL A 76 -8.929 11.687 12.241 1.00 1.00 C ATOM 1217 C VAL A 76 -7.908 11.083 13.215 1.00 1.00 C ATOM 1218 O VAL A 76 -6.851 10.600 12.794 1.00 1.00 O ATOM 1219 CB VAL A 76 -9.664 10.561 11.484 1.00 1.00 C ATOM 1220 CG1 VAL A 76 -10.742 9.957 12.367 1.00 1.00 C ATOM 1221 CG2 VAL A 76 -10.271 11.091 10.192 1.00 1.00 C ATOM 0 H VAL A 76 -7.487 12.175 10.816 1.00 1.00 H new ATOM 0 HA VAL A 76 -9.668 12.258 12.802 1.00 1.00 H new ATOM 0 HB VAL A 76 -8.943 9.785 11.229 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -11.255 9.163 11.824 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -10.286 9.545 13.267 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -11.460 10.729 12.645 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -10.785 10.282 9.673 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -10.983 11.884 10.423 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -9.481 11.487 9.554 1.00 1.00 H new ATOM 1231 N HIS A 77 -8.205 11.136 14.518 1.00 1.00 N ATOM 1232 CA HIS A 77 -7.291 10.598 15.522 1.00 1.00 C ATOM 1233 C HIS A 77 -7.733 9.222 16.044 1.00 1.00 C ATOM 1234 O HIS A 77 -6.986 8.572 16.772 1.00 1.00 O ATOM 1235 CB HIS A 77 -7.112 11.578 16.690 1.00 1.00 C ATOM 1236 CG HIS A 77 -8.377 11.957 17.414 1.00 1.00 C ATOM 1237 ND1 HIS A 77 -9.625 11.463 17.098 1.00 1.00 N ATOM 1238 CD2 HIS A 77 -8.562 12.809 18.450 1.00 1.00 C ATOM 1239 CE1 HIS A 77 -10.524 11.994 17.907 1.00 1.00 C ATOM 1240 NE2 HIS A 77 -9.905 12.813 18.738 1.00 1.00 N ATOM 0 H HIS A 77 -9.061 11.542 14.895 1.00 1.00 H new ATOM 0 HA HIS A 77 -6.331 10.464 15.024 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -6.420 11.138 17.408 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -6.644 12.487 16.311 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -7.797 13.379 18.955 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -11.585 11.793 17.892 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -10.352 13.360 19.474 1.00 1.00 H new ATOM 1249 N ASP A 78 -8.943 8.791 15.683 1.00 1.00 N ATOM 1250 CA ASP A 78 -9.437 7.500 16.136 1.00 1.00 C ATOM 1251 C ASP A 78 -9.272 6.422 15.068 1.00 1.00 C ATOM 1252 O ASP A 78 -9.966 6.421 14.050 1.00 1.00 O ATOM 1253 CB ASP A 78 -10.908 7.623 16.540 1.00 1.00 C ATOM 1254 CG ASP A 78 -11.075 8.282 17.901 1.00 1.00 C ATOM 1255 OD1 ASP A 78 -10.139 8.987 18.336 1.00 1.00 O ATOM 1256 OD2 ASP A 78 -12.131 8.080 18.536 1.00 1.00 O ATOM 0 H ASP A 78 -9.587 9.312 15.087 1.00 1.00 H new ATOM 0 HA ASP A 78 -8.844 7.198 16.999 1.00 1.00 H new ATOM 0 HB2 ASP A 78 -11.442 8.204 15.788 1.00 1.00 H new ATOM 0 HB3 ASP A 78 -11.362 6.632 16.559 1.00 1.00 H new ATOM 1261 N VAL A 79 -8.351 5.503 15.326 1.00 1.00 N ATOM 1262 CA VAL A 79 -8.094 4.400 14.411 1.00 1.00 C ATOM 1263 C VAL A 79 -9.342 3.518 14.288 1.00 1.00 C ATOM 1264 O VAL A 79 -9.708 3.077 13.194 1.00 1.00 O ATOM 1265 CB VAL A 79 -6.896 3.536 14.878 1.00 1.00 C ATOM 1266 CG1 VAL A 79 -5.637 4.390 14.981 1.00 1.00 C ATOM 1267 CG2 VAL A 79 -7.204 2.878 16.201 1.00 1.00 C ATOM 0 H VAL A 79 -7.769 5.500 16.163 1.00 1.00 H new ATOM 0 HA VAL A 79 -7.846 4.829 13.440 1.00 1.00 H new ATOM 0 HB VAL A 79 -6.722 2.753 14.140 1.00 1.00 H new ATOM 0 HG11 VAL A 79 -4.803 3.770 15.310 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -5.408 4.819 14.006 1.00 1.00 H new ATOM 0 HG13 VAL A 79 -5.799 5.192 15.701 1.00 1.00 H new ATOM 0 HG21 VAL A 79 -6.352 2.275 16.514 1.00 1.00 H new ATOM 0 HG22 VAL A 79 -7.402 3.644 16.951 1.00 1.00 H new ATOM 0 HG23 VAL A 79 -8.081 2.239 16.094 1.00 1.00 H new ATOM 1277 N ALA A 80 -9.966 3.251 15.438 1.00 1.00 N ATOM 1278 CA ALA A 80 -11.150 2.415 15.509 1.00 1.00 C ATOM 1279 C ALA A 80 -12.321 3.028 14.758 1.00 1.00 C ATOM 1280 O ALA A 80 -13.107 2.321 14.121 1.00 1.00 O ATOM 1281 CB ALA A 80 -11.519 2.173 16.965 1.00 1.00 C ATOM 0 H ALA A 80 -9.659 3.612 16.341 1.00 1.00 H new ATOM 0 HA ALA A 80 -10.922 1.464 15.029 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -12.408 1.545 17.015 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -10.693 1.674 17.472 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -11.720 3.127 17.453 1.00 1.00 H new ATOM 1287 N ALA A 81 -12.446 4.339 14.834 1.00 1.00 N ATOM 1288 CA ALA A 81 -13.545 5.034 14.152 1.00 1.00 C ATOM 1289 C ALA A 81 -13.437 4.838 12.642 1.00 1.00 C ATOM 1290 O ALA A 81 -14.453 4.661 11.969 1.00 1.00 O ATOM 1291 CB ALA A 81 -13.530 6.512 14.500 1.00 1.00 C ATOM 0 H ALA A 81 -11.813 4.948 15.353 1.00 1.00 H new ATOM 0 HA ALA A 81 -14.491 4.610 14.489 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -14.350 7.015 13.987 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -13.646 6.633 15.577 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -12.583 6.950 14.186 1.00 1.00 H new ATOM 1297 N VAL A 82 -12.221 4.855 12.119 1.00 1.00 N ATOM 1298 CA VAL A 82 -12.006 4.663 10.692 1.00 1.00 C ATOM 1299 C VAL A 82 -12.484 3.281 10.265 1.00 1.00 C ATOM 1300 O VAL A 82 -13.145 3.134 9.232 1.00 1.00 O ATOM 1301 CB VAL A 82 -10.522 4.836 10.310 1.00 1.00 C ATOM 1302 CG1 VAL A 82 -10.295 4.440 8.852 1.00 1.00 C ATOM 1303 CG2 VAL A 82 -10.054 6.256 10.541 1.00 1.00 C ATOM 0 H VAL A 82 -11.368 5.000 12.660 1.00 1.00 H new ATOM 0 HA VAL A 82 -12.583 5.427 10.171 1.00 1.00 H new ATOM 0 HB VAL A 82 -9.937 4.178 10.953 1.00 1.00 H new ATOM 0 HG11 VAL A 82 -9.242 4.568 8.600 1.00 1.00 H new ATOM 0 HG12 VAL A 82 -10.578 3.397 8.710 1.00 1.00 H new ATOM 0 HG13 VAL A 82 -10.903 5.072 8.204 1.00 1.00 H new ATOM 0 HG21 VAL A 82 -9.004 6.343 10.262 1.00 1.00 H new ATOM 0 HG22 VAL A 82 -10.649 6.938 9.934 1.00 1.00 H new ATOM 0 HG23 VAL A 82 -10.172 6.511 11.594 1.00 1.00 H new ATOM 1313 N PHE A 83 -12.161 2.274 11.066 1.00 1.00 N ATOM 1314 CA PHE A 83 -12.563 0.908 10.790 1.00 1.00 C ATOM 1315 C PHE A 83 -14.088 0.775 10.753 1.00 1.00 C ATOM 1316 O PHE A 83 -14.649 0.140 9.863 1.00 1.00 O ATOM 1317 CB PHE A 83 -11.988 -0.048 11.838 1.00 1.00 C ATOM 1318 CG PHE A 83 -12.026 -1.490 11.413 1.00 1.00 C ATOM 1319 CD1 PHE A 83 -10.963 -2.037 10.711 1.00 1.00 C ATOM 1320 CD2 PHE A 83 -13.116 -2.294 11.707 1.00 1.00 C ATOM 1321 CE1 PHE A 83 -10.987 -3.360 10.310 1.00 1.00 C ATOM 1322 CE2 PHE A 83 -13.147 -3.617 11.307 1.00 1.00 C ATOM 1323 CZ PHE A 83 -12.080 -4.150 10.609 1.00 1.00 C ATOM 0 H PHE A 83 -11.615 2.384 11.921 1.00 1.00 H new ATOM 0 HA PHE A 83 -12.168 0.643 9.810 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -10.957 0.234 12.050 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -12.546 0.064 12.767 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -10.107 -1.423 10.475 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -13.951 -1.882 12.255 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -10.153 -3.775 9.764 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -14.003 -4.233 11.540 1.00 1.00 H new ATOM 0 HZ PHE A 83 -12.101 -5.184 10.297 1.00 1.00 H new ATOM 1333 N ALA A 84 -14.722 1.374 11.751 1.00 1.00 N ATOM 1334 CA ALA A 84 -16.172 1.336 11.874 1.00 1.00 C ATOM 1335 C ALA A 84 -16.876 2.019 10.709 1.00 1.00 C ATOM 1336 O ALA A 84 -17.912 1.556 10.249 1.00 1.00 O ATOM 1337 CB ALA A 84 -16.576 1.965 13.192 1.00 1.00 C ATOM 0 H ALA A 84 -14.252 1.895 12.491 1.00 1.00 H new ATOM 0 HA ALA A 84 -16.485 0.292 11.850 1.00 1.00 H new ATOM 0 HB1 ALA A 84 -17.661 1.939 13.290 1.00 1.00 H new ATOM 0 HB2 ALA A 84 -16.124 1.409 14.014 1.00 1.00 H new ATOM 0 HB3 ALA A 84 -16.233 2.999 13.222 1.00 1.00 H new ATOM 1343 N TYR A 85 -16.315 3.118 10.228 1.00 1.00 N ATOM 1344 CA TYR A 85 -16.923 3.852 9.116 1.00 1.00 C ATOM 1345 C TYR A 85 -17.019 2.981 7.875 1.00 1.00 C ATOM 1346 O TYR A 85 -18.074 2.920 7.246 1.00 1.00 O ATOM 1347 CB TYR A 85 -16.132 5.111 8.808 1.00 1.00 C ATOM 1348 CG TYR A 85 -16.768 6.362 9.350 1.00 1.00 C ATOM 1349 CD1 TYR A 85 -17.825 6.967 8.679 1.00 1.00 C ATOM 1350 CD2 TYR A 85 -16.321 6.944 10.529 1.00 1.00 C ATOM 1351 CE1 TYR A 85 -18.416 8.117 9.167 1.00 1.00 C ATOM 1352 CE2 TYR A 85 -16.907 8.094 11.024 1.00 1.00 C ATOM 1353 CZ TYR A 85 -17.954 8.676 10.340 1.00 1.00 C ATOM 1354 OH TYR A 85 -18.538 9.817 10.839 1.00 1.00 O ATOM 0 H TYR A 85 -15.448 3.522 10.582 1.00 1.00 H new ATOM 0 HA TYR A 85 -17.932 4.135 9.417 1.00 1.00 H new ATOM 0 HB2 TYR A 85 -15.129 5.012 9.224 1.00 1.00 H new ATOM 0 HB3 TYR A 85 -16.021 5.207 7.728 1.00 1.00 H new ATOM 0 HD1 TYR A 85 -18.190 6.531 7.761 1.00 1.00 H new ATOM 0 HD2 TYR A 85 -15.502 6.491 11.068 1.00 1.00 H new ATOM 0 HE1 TYR A 85 -19.235 8.575 8.633 1.00 1.00 H new ATOM 0 HE2 TYR A 85 -16.547 8.535 11.942 1.00 1.00 H new ATOM 0 HH TYR A 85 -18.092 10.075 11.672 1.00 1.00 H new ATOM 1364 N ALA A 86 -15.936 2.305 7.545 1.00 1.00 N ATOM 1365 CA ALA A 86 -15.922 1.429 6.379 1.00 1.00 C ATOM 1366 C ALA A 86 -16.907 0.282 6.574 1.00 1.00 C ATOM 1367 O ALA A 86 -17.578 -0.148 5.627 1.00 1.00 O ATOM 1368 CB ALA A 86 -14.516 0.911 6.141 1.00 1.00 C ATOM 0 H ALA A 86 -15.057 2.342 8.061 1.00 1.00 H new ATOM 0 HA ALA A 86 -16.232 1.992 5.499 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -14.512 0.257 5.269 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -13.843 1.751 5.968 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -14.181 0.352 7.015 1.00 1.00 H new ATOM 1374 N LYS A 87 -16.993 -0.209 7.813 1.00 1.00 N ATOM 1375 CA LYS A 87 -17.889 -1.309 8.142 1.00 1.00 C ATOM 1376 C LYS A 87 -19.329 -0.887 7.902 1.00 1.00 C ATOM 1377 O LYS A 87 -20.148 -1.687 7.447 1.00 1.00 O ATOM 1378 CB LYS A 87 -17.720 -1.737 9.607 1.00 1.00 C ATOM 1379 CG LYS A 87 -18.499 -2.988 9.974 1.00 1.00 C ATOM 1380 CD LYS A 87 -19.379 -2.777 11.187 1.00 1.00 C ATOM 1381 CE LYS A 87 -18.566 -2.825 12.483 1.00 1.00 C ATOM 1382 NZ LYS A 87 -18.110 -4.208 12.788 1.00 1.00 N ATOM 0 H LYS A 87 -16.450 0.142 8.602 1.00 1.00 H new ATOM 0 HA LYS A 87 -17.640 -2.155 7.502 1.00 1.00 H new ATOM 0 HB2 LYS A 87 -16.662 -1.908 9.806 1.00 1.00 H new ATOM 0 HB3 LYS A 87 -18.038 -0.919 10.254 1.00 1.00 H new ATOM 0 HG2 LYS A 87 -19.116 -3.291 9.128 1.00 1.00 H new ATOM 0 HG3 LYS A 87 -17.803 -3.803 10.170 1.00 1.00 H new ATOM 0 HD2 LYS A 87 -19.884 -1.814 11.108 1.00 1.00 H new ATOM 0 HD3 LYS A 87 -20.154 -3.543 11.214 1.00 1.00 H new ATOM 0 HE2 LYS A 87 -17.702 -2.166 12.397 1.00 1.00 H new ATOM 0 HE3 LYS A 87 -19.172 -2.450 13.308 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 -17.822 -4.266 13.786 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 -18.887 -4.876 12.612 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 -17.302 -4.449 12.180 1.00 1.00 H new ATOM 1396 N GLN A 88 -19.624 0.370 8.207 1.00 1.00 N ATOM 1397 CA GLN A 88 -20.971 0.902 8.032 1.00 1.00 C ATOM 1398 C GLN A 88 -21.367 0.892 6.565 1.00 1.00 C ATOM 1399 O GLN A 88 -22.514 0.581 6.238 1.00 1.00 O ATOM 1400 CB GLN A 88 -21.078 2.321 8.580 1.00 1.00 C ATOM 1401 CG GLN A 88 -21.212 2.384 10.086 1.00 1.00 C ATOM 1402 CD GLN A 88 -22.352 1.536 10.604 1.00 1.00 C ATOM 1403 OE1 GLN A 88 -23.510 1.952 10.570 1.00 1.00 O ATOM 1404 NE2 GLN A 88 -22.034 0.345 11.099 1.00 1.00 N ATOM 0 H GLN A 88 -18.950 1.040 8.577 1.00 1.00 H new ATOM 0 HA GLN A 88 -21.652 0.259 8.590 1.00 1.00 H new ATOM 0 HB2 GLN A 88 -20.195 2.885 8.279 1.00 1.00 H new ATOM 0 HB3 GLN A 88 -21.939 2.812 8.127 1.00 1.00 H new ATOM 0 HG2 GLN A 88 -20.280 2.053 10.544 1.00 1.00 H new ATOM 0 HG3 GLN A 88 -21.366 3.419 10.390 1.00 1.00 H new ATOM 0 HE21 GLN A 88 -21.061 0.040 11.108 1.00 1.00 H new ATOM 0 HE22 GLN A 88 -22.763 -0.264 11.470 1.00 1.00 H new ATOM 1413 N HIS A 89 -20.425 1.221 5.696 1.00 1.00 N ATOM 1414 CA HIS A 89 -20.678 1.244 4.263 1.00 1.00 C ATOM 1415 C HIS A 89 -19.869 0.165 3.543 1.00 1.00 C ATOM 1416 O HIS A 89 -18.741 0.413 3.114 1.00 1.00 O ATOM 1417 CB HIS A 89 -20.354 2.621 3.685 1.00 1.00 C ATOM 1418 CG HIS A 89 -21.219 3.715 4.238 1.00 1.00 C ATOM 1419 ND1 HIS A 89 -22.130 4.413 3.474 1.00 1.00 N ATOM 1420 CD2 HIS A 89 -21.298 4.236 5.484 1.00 1.00 C ATOM 1421 CE1 HIS A 89 -22.731 5.318 4.226 1.00 1.00 C ATOM 1422 NE2 HIS A 89 -22.245 5.230 5.450 1.00 1.00 N ATOM 0 H HIS A 89 -19.473 1.477 5.959 1.00 1.00 H new ATOM 0 HA HIS A 89 -21.737 1.036 4.106 1.00 1.00 H new ATOM 0 HB2 HIS A 89 -19.309 2.856 3.888 1.00 1.00 H new ATOM 0 HB3 HIS A 89 -20.469 2.589 2.602 1.00 1.00 H new ATOM 0 HD2 HIS A 89 -20.723 3.928 6.345 1.00 1.00 H new ATOM 0 HE1 HIS A 89 -23.490 6.011 3.896 1.00 1.00 H new ATOM 0 HE2 HIS A 89 -22.527 5.807 6.242 1.00 1.00 H new ATOM 1431 N PRO A 90 -20.438 -1.041 3.383 1.00 1.00 N ATOM 1432 CA PRO A 90 -19.748 -2.157 2.711 1.00 1.00 C ATOM 1433 C PRO A 90 -19.360 -1.815 1.277 1.00 1.00 C ATOM 1434 O PRO A 90 -18.350 -2.293 0.756 1.00 1.00 O ATOM 1435 CB PRO A 90 -20.792 -3.272 2.721 1.00 1.00 C ATOM 1436 CG PRO A 90 -21.747 -2.903 3.804 1.00 1.00 C ATOM 1437 CD PRO A 90 -21.774 -1.404 3.839 1.00 1.00 C ATOM 0 HA PRO A 90 -18.814 -2.419 3.209 1.00 1.00 H new ATOM 0 HB2 PRO A 90 -21.298 -3.346 1.758 1.00 1.00 H new ATOM 0 HB3 PRO A 90 -20.332 -4.241 2.915 1.00 1.00 H new ATOM 0 HG2 PRO A 90 -22.739 -3.306 3.603 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -21.426 -3.310 4.763 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -22.547 -0.999 3.186 1.00 1.00 H new ATOM 0 HD3 PRO A 90 -21.974 -1.027 4.842 1.00 1.00 H new ATOM 1445 N ASP A 91 -20.169 -0.982 0.642 1.00 1.00 N ATOM 1446 CA ASP A 91 -19.910 -0.568 -0.732 1.00 1.00 C ATOM 1447 C ASP A 91 -18.623 0.242 -0.808 1.00 1.00 C ATOM 1448 O ASP A 91 -17.881 0.159 -1.789 1.00 1.00 O ATOM 1449 CB ASP A 91 -21.087 0.260 -1.263 1.00 1.00 C ATOM 1450 CG ASP A 91 -21.567 -0.228 -2.618 1.00 1.00 C ATOM 1451 OD1 ASP A 91 -21.028 0.233 -3.645 1.00 1.00 O ATOM 1452 OD2 ASP A 91 -22.487 -1.073 -2.647 1.00 1.00 O ATOM 0 H ASP A 91 -21.010 -0.578 1.054 1.00 1.00 H new ATOM 0 HA ASP A 91 -19.797 -1.459 -1.350 1.00 1.00 H new ATOM 0 HB2 ASP A 91 -21.911 0.216 -0.550 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -20.788 1.305 -1.340 1.00 1.00 H new ATOM 1457 N GLN A 92 -18.356 1.029 0.241 1.00 1.00 N ATOM 1458 CA GLN A 92 -17.153 1.858 0.306 1.00 1.00 C ATOM 1459 C GLN A 92 -15.938 1.017 0.652 1.00 1.00 C ATOM 1460 O GLN A 92 -15.994 0.150 1.527 1.00 1.00 O ATOM 1461 CB GLN A 92 -17.337 2.964 1.344 1.00 1.00 C ATOM 1462 CG GLN A 92 -17.796 4.288 0.748 1.00 1.00 C ATOM 1463 CD GLN A 92 -19.169 4.205 0.103 1.00 1.00 C ATOM 1464 OE1 GLN A 92 -19.310 3.683 -1.002 1.00 1.00 O ATOM 1465 NE2 GLN A 92 -20.183 4.714 0.789 1.00 1.00 N ATOM 0 H GLN A 92 -18.961 1.107 1.058 1.00 1.00 H new ATOM 0 HA GLN A 92 -16.991 2.309 -0.673 1.00 1.00 H new ATOM 0 HB2 GLN A 92 -18.065 2.637 2.086 1.00 1.00 H new ATOM 0 HB3 GLN A 92 -16.394 3.119 1.869 1.00 1.00 H new ATOM 0 HG2 GLN A 92 -17.814 5.046 1.531 1.00 1.00 H new ATOM 0 HG3 GLN A 92 -17.070 4.616 0.004 1.00 1.00 H new ATOM 0 HE21 GLN A 92 -20.019 5.138 1.702 1.00 1.00 H new ATOM 0 HE22 GLN A 92 -21.127 4.682 0.403 1.00 1.00 H new ATOM 1474 N GLU A 93 -14.845 1.266 -0.053 1.00 1.00 N ATOM 1475 CA GLU A 93 -13.612 0.522 0.172 1.00 1.00 C ATOM 1476 C GLU A 93 -12.551 1.436 0.783 1.00 1.00 C ATOM 1477 O GLU A 93 -12.240 2.496 0.229 1.00 1.00 O ATOM 1478 CB GLU A 93 -13.100 -0.068 -1.150 1.00 1.00 C ATOM 1479 CG GLU A 93 -13.106 -1.579 -1.174 1.00 1.00 C ATOM 1480 CD GLU A 93 -12.159 -2.161 -2.205 1.00 1.00 C ATOM 1481 OE1 GLU A 93 -11.753 -1.419 -3.123 1.00 1.00 O ATOM 1482 OE2 GLU A 93 -11.825 -3.360 -2.096 1.00 1.00 O ATOM 0 H GLU A 93 -14.785 1.975 -0.784 1.00 1.00 H new ATOM 0 HA GLU A 93 -13.817 -0.294 0.865 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -13.717 0.304 -1.968 1.00 1.00 H new ATOM 0 HB3 GLU A 93 -12.085 0.287 -1.329 1.00 1.00 H new ATOM 0 HG2 GLU A 93 -12.834 -1.953 -0.187 1.00 1.00 H new ATOM 0 HG3 GLU A 93 -14.117 -1.929 -1.380 1.00 1.00 H new ATOM 1489 N LEU A 94 -12.014 1.029 1.930 1.00 1.00 N ATOM 1490 CA LEU A 94 -11.015 1.822 2.612 1.00 1.00 C ATOM 1491 C LEU A 94 -9.627 1.215 2.480 1.00 1.00 C ATOM 1492 O LEU A 94 -9.413 0.039 2.776 1.00 1.00 O ATOM 1493 CB LEU A 94 -11.371 1.983 4.082 1.00 1.00 C ATOM 1494 CG LEU A 94 -11.811 3.385 4.486 1.00 1.00 C ATOM 1495 CD1 LEU A 94 -13.202 3.668 3.961 1.00 1.00 C ATOM 1496 CD2 LEU A 94 -11.763 3.540 6.001 1.00 1.00 C ATOM 0 H LEU A 94 -12.258 0.157 2.399 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.001 2.803 2.136 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.170 1.283 4.326 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -10.506 1.702 4.683 1.00 1.00 H new ATOM 0 HG LEU A 94 -11.124 4.109 4.048 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -13.505 4.673 4.256 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -13.203 3.594 2.874 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -13.902 2.942 4.375 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -12.080 4.547 6.274 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -12.430 2.812 6.463 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.745 3.373 6.352 1.00 1.00 H new ATOM 1508 N VAL A 95 -8.689 2.030 2.017 1.00 1.00 N ATOM 1509 CA VAL A 95 -7.308 1.606 1.833 1.00 1.00 C ATOM 1510 C VAL A 95 -6.367 2.485 2.652 1.00 1.00 C ATOM 1511 O VAL A 95 -6.460 3.712 2.598 1.00 1.00 O ATOM 1512 CB VAL A 95 -6.901 1.672 0.348 1.00 1.00 C ATOM 1513 CG1 VAL A 95 -5.536 1.025 0.134 1.00 1.00 C ATOM 1514 CG2 VAL A 95 -7.948 1.005 -0.531 1.00 1.00 C ATOM 0 H VAL A 95 -8.863 3.001 1.759 1.00 1.00 H new ATOM 0 HA VAL A 95 -7.231 0.574 2.174 1.00 1.00 H new ATOM 0 HB VAL A 95 -6.834 2.722 0.063 1.00 1.00 H new ATOM 0 HG11 VAL A 95 -5.268 1.082 -0.921 1.00 1.00 H new ATOM 0 HG12 VAL A 95 -4.788 1.550 0.728 1.00 1.00 H new ATOM 0 HG13 VAL A 95 -5.576 -0.020 0.442 1.00 1.00 H new ATOM 0 HG21 VAL A 95 -7.638 1.064 -1.574 1.00 1.00 H new ATOM 0 HG22 VAL A 95 -8.053 -0.041 -0.242 1.00 1.00 H new ATOM 0 HG23 VAL A 95 -8.904 1.513 -0.407 1.00 1.00 H new ATOM 1524 N ILE A 96 -5.494 1.869 3.422 1.00 1.00 N ATOM 1525 CA ILE A 96 -4.581 2.633 4.258 1.00 1.00 C ATOM 1526 C ILE A 96 -3.144 2.563 3.722 1.00 1.00 C ATOM 1527 O ILE A 96 -2.556 1.494 3.615 1.00 1.00 O ATOM 1528 CB ILE A 96 -4.616 2.120 5.712 1.00 1.00 C ATOM 1529 CG1 ILE A 96 -5.528 3.000 6.569 1.00 1.00 C ATOM 1530 CG2 ILE A 96 -3.215 2.080 6.320 1.00 1.00 C ATOM 1531 CD1 ILE A 96 -6.933 3.123 6.036 1.00 1.00 C ATOM 0 H ILE A 96 -5.395 0.856 3.489 1.00 1.00 H new ATOM 0 HA ILE A 96 -4.910 3.672 4.236 1.00 1.00 H new ATOM 0 HB ILE A 96 -5.012 1.105 5.694 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -5.567 2.591 7.579 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -5.090 3.995 6.645 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -3.274 1.714 7.345 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -2.582 1.414 5.733 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -2.788 3.083 6.317 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -7.518 3.762 6.697 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -6.907 3.561 5.038 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -7.391 2.135 5.987 1.00 1.00 H new ATOM 1543 N ALA A 97 -2.586 3.734 3.404 1.00 1.00 N ATOM 1544 CA ALA A 97 -1.221 3.815 2.892 1.00 1.00 C ATOM 1545 C ALA A 97 -0.253 4.200 3.998 1.00 1.00 C ATOM 1546 O ALA A 97 0.175 5.348 4.081 1.00 1.00 O ATOM 1547 CB ALA A 97 -1.138 4.805 1.740 1.00 1.00 C ATOM 0 H ALA A 97 -3.058 4.634 3.492 1.00 1.00 H new ATOM 0 HA ALA A 97 -0.939 2.830 2.519 1.00 1.00 H new ATOM 0 HB1 ALA A 97 -0.113 4.851 1.373 1.00 1.00 H new ATOM 0 HB2 ALA A 97 -1.798 4.482 0.935 1.00 1.00 H new ATOM 0 HB3 ALA A 97 -1.444 5.792 2.086 1.00 1.00 H new ATOM 1553 N GLY A 98 0.076 3.233 4.829 1.00 1.00 N ATOM 1554 CA GLY A 98 0.999 3.471 5.929 1.00 1.00 C ATOM 1555 C GLY A 98 0.335 4.124 7.121 1.00 1.00 C ATOM 1556 O GLY A 98 -0.868 4.384 7.092 1.00 1.00 O ATOM 0 H GLY A 98 -0.278 2.278 4.768 1.00 1.00 H new ATOM 0 HA2 GLY A 98 1.440 2.524 6.239 1.00 1.00 H new ATOM 0 HA3 GLY A 98 1.815 4.104 5.582 1.00 1.00 H new ATOM 1560 N GLY A 99 1.102 4.379 8.189 1.00 1.00 N ATOM 1561 CA GLY A 99 2.527 4.054 8.213 1.00 1.00 C ATOM 1562 C GLY A 99 2.806 2.617 8.612 1.00 1.00 C ATOM 1563 O GLY A 99 1.888 1.850 8.884 1.00 1.00 O ATOM 0 H GLY A 99 0.756 4.810 9.046 1.00 1.00 H new ATOM 0 HA2 GLY A 99 2.952 4.239 7.226 1.00 1.00 H new ATOM 0 HA3 GLY A 99 3.034 4.722 8.909 1.00 1.00 H new ATOM 1567 N ALA A 100 4.095 2.246 8.636 1.00 1.00 N ATOM 1568 CA ALA A 100 4.505 0.892 8.984 1.00 1.00 C ATOM 1569 C ALA A 100 4.133 0.526 10.426 1.00 1.00 C ATOM 1570 O ALA A 100 3.736 -0.607 10.701 1.00 1.00 O ATOM 1571 CB ALA A 100 6.008 0.734 8.771 1.00 1.00 C ATOM 0 H ALA A 100 4.869 2.873 8.416 1.00 1.00 H new ATOM 0 HA ALA A 100 3.967 0.207 8.328 1.00 1.00 H new ATOM 0 HB1 ALA A 100 6.308 -0.281 9.033 1.00 1.00 H new ATOM 0 HB2 ALA A 100 6.249 0.925 7.725 1.00 1.00 H new ATOM 0 HB3 ALA A 100 6.542 1.445 9.402 1.00 1.00 H new ATOM 1577 N GLN A 101 4.243 1.487 11.327 1.00 1.00 N ATOM 1578 CA GLN A 101 3.919 1.253 12.729 1.00 1.00 C ATOM 1579 C GLN A 101 2.458 0.891 12.879 1.00 1.00 C ATOM 1580 O GLN A 101 2.093 0.014 13.651 1.00 1.00 O ATOM 1581 CB GLN A 101 4.259 2.484 13.574 1.00 1.00 C ATOM 1582 CG GLN A 101 5.735 2.586 13.956 1.00 1.00 C ATOM 1583 CD GLN A 101 6.002 2.195 15.396 1.00 1.00 C ATOM 1584 OE1 GLN A 101 6.107 1.014 15.728 1.00 1.00 O ATOM 1585 NE2 GLN A 101 6.120 3.194 16.263 1.00 1.00 N ATOM 0 H GLN A 101 4.553 2.436 11.116 1.00 1.00 H new ATOM 0 HA GLN A 101 4.520 0.417 13.087 1.00 1.00 H new ATOM 0 HB2 GLN A 101 3.974 3.380 13.023 1.00 1.00 H new ATOM 0 HB3 GLN A 101 3.659 2.465 14.484 1.00 1.00 H new ATOM 0 HG2 GLN A 101 6.320 1.945 13.297 1.00 1.00 H new ATOM 0 HG3 GLN A 101 6.077 3.608 13.793 1.00 1.00 H new ATOM 0 HE21 GLN A 101 6.026 4.159 15.945 1.00 1.00 H new ATOM 0 HE22 GLN A 101 6.305 2.997 17.247 1.00 1.00 H new ATOM 1594 N ILE A 102 1.630 1.568 12.099 1.00 1.00 N ATOM 1595 CA ILE A 102 0.203 1.319 12.099 1.00 1.00 C ATOM 1596 C ILE A 102 -0.085 -0.100 11.591 1.00 1.00 C ATOM 1597 O ILE A 102 -0.958 -0.794 12.109 1.00 1.00 O ATOM 1598 CB ILE A 102 -0.557 2.340 11.219 1.00 1.00 C ATOM 1599 CG1 ILE A 102 -0.656 3.682 11.945 1.00 1.00 C ATOM 1600 CG2 ILE A 102 -1.949 1.835 10.857 1.00 1.00 C ATOM 1601 CD1 ILE A 102 0.527 4.584 11.696 1.00 1.00 C ATOM 0 H ILE A 102 1.928 2.300 11.454 1.00 1.00 H new ATOM 0 HA ILE A 102 -0.147 1.425 13.126 1.00 1.00 H new ATOM 0 HB ILE A 102 0.002 2.470 10.293 1.00 1.00 H new ATOM 0 HG12 ILE A 102 -1.566 4.192 11.629 1.00 1.00 H new ATOM 0 HG13 ILE A 102 -0.748 3.502 13.016 1.00 1.00 H new ATOM 0 HG21 ILE A 102 -2.455 2.576 10.239 1.00 1.00 H new ATOM 0 HG22 ILE A 102 -1.864 0.899 10.305 1.00 1.00 H new ATOM 0 HG23 ILE A 102 -2.524 1.669 11.768 1.00 1.00 H new ATOM 0 HD11 ILE A 102 0.393 5.519 12.240 1.00 1.00 H new ATOM 0 HD12 ILE A 102 1.438 4.092 12.038 1.00 1.00 H new ATOM 0 HD13 ILE A 102 0.607 4.793 10.629 1.00 1.00 H new ATOM 1613 N PHE A 103 0.632 -0.494 10.531 1.00 1.00 N ATOM 1614 CA PHE A 103 0.446 -1.804 9.902 1.00 1.00 C ATOM 1615 C PHE A 103 0.727 -2.949 10.859 1.00 1.00 C ATOM 1616 O PHE A 103 -0.038 -3.904 10.919 1.00 1.00 O ATOM 1617 CB PHE A 103 1.343 -1.925 8.679 1.00 1.00 C ATOM 1618 CG PHE A 103 0.746 -1.307 7.453 1.00 1.00 C ATOM 1619 CD1 PHE A 103 0.191 -0.039 7.511 1.00 1.00 C ATOM 1620 CD2 PHE A 103 0.752 -1.979 6.243 1.00 1.00 C ATOM 1621 CE1 PHE A 103 -0.349 0.547 6.382 1.00 1.00 C ATOM 1622 CE2 PHE A 103 0.215 -1.398 5.111 1.00 1.00 C ATOM 1623 CZ PHE A 103 -0.336 -0.133 5.180 1.00 1.00 C ATOM 0 H PHE A 103 1.350 0.081 10.090 1.00 1.00 H new ATOM 0 HA PHE A 103 -0.600 -1.874 9.605 1.00 1.00 H new ATOM 0 HB2 PHE A 103 2.301 -1.449 8.889 1.00 1.00 H new ATOM 0 HB3 PHE A 103 1.546 -2.979 8.486 1.00 1.00 H new ATOM 0 HD1 PHE A 103 0.180 0.497 8.448 1.00 1.00 H new ATOM 0 HD2 PHE A 103 1.181 -2.968 6.183 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -0.781 1.535 6.440 1.00 1.00 H new ATOM 0 HE2 PHE A 103 0.226 -1.932 4.172 1.00 1.00 H new ATOM 0 HZ PHE A 103 -0.756 0.323 4.296 1.00 1.00 H new ATOM 1633 N THR A 104 1.819 -2.878 11.605 1.00 1.00 N ATOM 1634 CA THR A 104 2.151 -3.947 12.536 1.00 1.00 C ATOM 1635 C THR A 104 1.068 -4.085 13.609 1.00 1.00 C ATOM 1636 O THR A 104 0.628 -5.189 13.915 1.00 1.00 O ATOM 1637 CB THR A 104 3.504 -3.694 13.179 1.00 1.00 C ATOM 1638 OG1 THR A 104 3.749 -4.639 14.202 1.00 1.00 O ATOM 1639 CG2 THR A 104 3.651 -2.318 13.791 1.00 1.00 C ATOM 0 H THR A 104 2.482 -2.103 11.586 1.00 1.00 H new ATOM 0 HA THR A 104 2.203 -4.881 11.977 1.00 1.00 H new ATOM 0 HB THR A 104 4.222 -3.780 12.363 1.00 1.00 H new ATOM 0 HG1 THR A 104 4.625 -4.464 14.606 1.00 1.00 H new ATOM 0 HG21 THR A 104 4.644 -2.219 14.228 1.00 1.00 H new ATOM 0 HG22 THR A 104 3.517 -1.560 13.019 1.00 1.00 H new ATOM 0 HG23 THR A 104 2.898 -2.183 14.567 1.00 1.00 H new ATOM 1647 N ALA A 105 0.647 -2.954 14.169 1.00 1.00 N ATOM 1648 CA ALA A 105 -0.392 -2.927 15.195 1.00 1.00 C ATOM 1649 C ALA A 105 -1.726 -3.409 14.647 1.00 1.00 C ATOM 1650 O ALA A 105 -2.497 -4.061 15.355 1.00 1.00 O ATOM 1651 CB ALA A 105 -0.540 -1.529 15.766 1.00 1.00 C ATOM 0 H ALA A 105 1.014 -2.034 13.926 1.00 1.00 H new ATOM 0 HA ALA A 105 -0.087 -3.606 15.991 1.00 1.00 H new ATOM 0 HB1 ALA A 105 -1.319 -1.528 16.529 1.00 1.00 H new ATOM 0 HB2 ALA A 105 0.404 -1.216 16.211 1.00 1.00 H new ATOM 0 HB3 ALA A 105 -0.812 -0.837 14.969 1.00 1.00 H new ATOM 1657 N PHE A 106 -1.998 -3.051 13.387 1.00 1.00 N ATOM 1658 CA PHE A 106 -3.250 -3.408 12.724 1.00 1.00 C ATOM 1659 C PHE A 106 -3.067 -4.530 11.708 1.00 1.00 C ATOM 1660 O PHE A 106 -3.904 -4.703 10.826 1.00 1.00 O ATOM 1661 CB PHE A 106 -3.858 -2.179 12.036 1.00 1.00 C ATOM 1662 CG PHE A 106 -4.865 -1.450 12.876 1.00 1.00 C ATOM 1663 CD1 PHE A 106 -4.513 -0.965 14.124 1.00 1.00 C ATOM 1664 CD2 PHE A 106 -6.160 -1.249 12.423 1.00 1.00 C ATOM 1665 CE1 PHE A 106 -5.433 -0.295 14.907 1.00 1.00 C ATOM 1666 CE2 PHE A 106 -7.084 -0.580 13.203 1.00 1.00 C ATOM 1667 CZ PHE A 106 -6.720 -0.101 14.446 1.00 1.00 C ATOM 0 H PHE A 106 -1.359 -2.510 12.805 1.00 1.00 H new ATOM 0 HA PHE A 106 -3.929 -3.770 13.497 1.00 1.00 H new ATOM 0 HB2 PHE A 106 -3.056 -1.491 11.768 1.00 1.00 H new ATOM 0 HB3 PHE A 106 -4.333 -2.493 11.107 1.00 1.00 H new ATOM 0 HD1 PHE A 106 -3.507 -1.112 14.490 1.00 1.00 H new ATOM 0 HD2 PHE A 106 -6.450 -1.619 11.451 1.00 1.00 H new ATOM 0 HE1 PHE A 106 -5.146 0.077 15.879 1.00 1.00 H new ATOM 0 HE2 PHE A 106 -8.091 -0.432 12.841 1.00 1.00 H new ATOM 0 HZ PHE A 106 -7.440 0.424 15.056 1.00 1.00 H new ATOM 1677 N LYS A 107 -1.983 -5.290 11.826 1.00 1.00 N ATOM 1678 CA LYS A 107 -1.723 -6.387 10.902 1.00 1.00 C ATOM 1679 C LYS A 107 -2.835 -7.433 10.985 1.00 1.00 C ATOM 1680 O LYS A 107 -3.319 -7.937 9.961 1.00 1.00 O ATOM 1681 CB LYS A 107 -0.358 -7.036 11.198 1.00 1.00 C ATOM 1682 CG LYS A 107 -0.203 -7.519 12.643 1.00 1.00 C ATOM 1683 CD LYS A 107 -0.460 -9.015 12.751 1.00 1.00 C ATOM 1684 CE LYS A 107 0.685 -9.815 12.154 1.00 1.00 C ATOM 1685 NZ LYS A 107 1.702 -10.175 13.183 1.00 1.00 N ATOM 0 H LYS A 107 -1.274 -5.167 12.549 1.00 1.00 H new ATOM 0 HA LYS A 107 -1.701 -5.981 9.890 1.00 1.00 H new ATOM 0 HB2 LYS A 107 -0.215 -7.881 10.525 1.00 1.00 H new ATOM 0 HB3 LYS A 107 0.431 -6.317 10.979 1.00 1.00 H new ATOM 0 HG2 LYS A 107 0.802 -7.293 13.000 1.00 1.00 H new ATOM 0 HG3 LYS A 107 -0.898 -6.980 13.286 1.00 1.00 H new ATOM 0 HD2 LYS A 107 -0.591 -9.289 13.798 1.00 1.00 H new ATOM 0 HD3 LYS A 107 -1.388 -9.265 12.237 1.00 1.00 H new ATOM 0 HE2 LYS A 107 0.294 -10.723 11.696 1.00 1.00 H new ATOM 0 HE3 LYS A 107 1.159 -9.236 11.361 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 2.468 -10.720 12.738 1.00 1.00 H new ATOM 0 HZ2 LYS A 107 2.093 -9.308 13.603 1.00 1.00 H new ATOM 0 HZ3 LYS A 107 1.255 -10.749 13.927 1.00 1.00 H new ATOM 1699 N ASP A 108 -3.260 -7.746 12.199 1.00 1.00 N ATOM 1700 CA ASP A 108 -4.329 -8.718 12.396 1.00 1.00 C ATOM 1701 C ASP A 108 -5.712 -8.058 12.397 1.00 1.00 C ATOM 1702 O ASP A 108 -6.734 -8.737 12.520 1.00 1.00 O ATOM 1703 CB ASP A 108 -4.107 -9.478 13.702 1.00 1.00 C ATOM 1704 CG ASP A 108 -3.746 -10.928 13.471 1.00 1.00 C ATOM 1705 OD1 ASP A 108 -4.628 -11.703 13.046 1.00 1.00 O ATOM 1706 OD2 ASP A 108 -2.573 -11.289 13.708 1.00 1.00 O ATOM 0 H ASP A 108 -2.885 -7.345 13.059 1.00 1.00 H new ATOM 0 HA ASP A 108 -4.301 -9.415 11.558 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -3.312 -8.995 14.270 1.00 1.00 H new ATOM 0 HB3 ASP A 108 -5.011 -9.424 14.309 1.00 1.00 H new ATOM 1711 N ASP A 109 -5.750 -6.724 12.278 1.00 1.00 N ATOM 1712 CA ASP A 109 -7.017 -5.998 12.276 1.00 1.00 C ATOM 1713 C ASP A 109 -7.608 -5.819 10.870 1.00 1.00 C ATOM 1714 O ASP A 109 -8.688 -5.249 10.716 1.00 1.00 O ATOM 1715 CB ASP A 109 -6.815 -4.620 12.900 1.00 1.00 C ATOM 1716 CG ASP A 109 -6.687 -4.698 14.408 1.00 1.00 C ATOM 1717 OD1 ASP A 109 -5.690 -5.268 14.899 1.00 1.00 O ATOM 1718 OD2 ASP A 109 -7.592 -4.185 15.100 1.00 1.00 O ATOM 0 H ASP A 109 -4.923 -6.134 12.183 1.00 1.00 H new ATOM 0 HA ASP A 109 -7.721 -6.596 12.854 1.00 1.00 H new ATOM 0 HB2 ASP A 109 -5.919 -4.160 12.483 1.00 1.00 H new ATOM 0 HB3 ASP A 109 -7.655 -3.976 12.639 1.00 1.00 H new ATOM 1723 N VAL A 110 -6.901 -6.303 9.849 1.00 1.00 N ATOM 1724 CA VAL A 110 -7.392 -6.169 8.477 1.00 1.00 C ATOM 1725 C VAL A 110 -7.616 -7.526 7.820 1.00 1.00 C ATOM 1726 O VAL A 110 -6.730 -8.387 7.836 1.00 1.00 O ATOM 1727 CB VAL A 110 -6.409 -5.367 7.608 1.00 1.00 C ATOM 1728 CG1 VAL A 110 -7.095 -4.152 6.991 1.00 1.00 C ATOM 1729 CG2 VAL A 110 -5.196 -4.960 8.422 1.00 1.00 C ATOM 0 H VAL A 110 -6.005 -6.782 9.941 1.00 1.00 H new ATOM 0 HA VAL A 110 -8.343 -5.640 8.544 1.00 1.00 H new ATOM 0 HB VAL A 110 -6.070 -6.004 6.791 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -6.379 -3.601 6.381 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -7.926 -4.481 6.367 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -7.470 -3.505 7.784 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -4.509 -4.393 7.793 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -5.512 -4.342 9.262 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -4.693 -5.852 8.796 1.00 1.00 H new ATOM 1739 N ASP A 111 -8.800 -7.710 7.255 1.00 1.00 N ATOM 1740 CA ASP A 111 -9.147 -8.967 6.596 1.00 1.00 C ATOM 1741 C ASP A 111 -8.289 -9.228 5.368 1.00 1.00 C ATOM 1742 O ASP A 111 -7.971 -10.383 5.069 1.00 1.00 O ATOM 1743 CB ASP A 111 -10.626 -8.954 6.196 1.00 1.00 C ATOM 1744 CG ASP A 111 -11.240 -10.337 6.275 1.00 1.00 C ATOM 1745 OD1 ASP A 111 -11.152 -11.087 5.279 1.00 1.00 O ATOM 1746 OD2 ASP A 111 -11.812 -10.669 7.334 1.00 1.00 O ATOM 0 H ASP A 111 -9.539 -7.007 7.238 1.00 1.00 H new ATOM 0 HA ASP A 111 -8.958 -9.771 7.308 1.00 1.00 H new ATOM 0 HB2 ASP A 111 -11.174 -8.275 6.849 1.00 1.00 H new ATOM 0 HB3 ASP A 111 -10.725 -8.569 5.181 1.00 1.00 H new ATOM 1751 N THR A 112 -7.934 -8.176 4.647 1.00 1.00 N ATOM 1752 CA THR A 112 -7.128 -8.342 3.437 1.00 1.00 C ATOM 1753 C THR A 112 -5.800 -7.577 3.522 1.00 1.00 C ATOM 1754 O THR A 112 -5.772 -6.375 3.781 1.00 1.00 O ATOM 1755 CB THR A 112 -7.921 -7.872 2.206 1.00 1.00 C ATOM 1756 OG1 THR A 112 -9.207 -8.471 2.185 1.00 1.00 O ATOM 1757 CG2 THR A 112 -7.238 -8.182 0.897 1.00 1.00 C ATOM 0 H THR A 112 -8.183 -7.212 4.869 1.00 1.00 H new ATOM 0 HA THR A 112 -6.895 -9.403 3.342 1.00 1.00 H new ATOM 0 HB THR A 112 -7.993 -6.789 2.301 1.00 1.00 H new ATOM 0 HG1 THR A 112 -9.700 -8.161 1.397 1.00 1.00 H new ATOM 0 HG21 THR A 112 -7.853 -7.823 0.072 1.00 1.00 H new ATOM 0 HG22 THR A 112 -6.267 -7.688 0.868 1.00 1.00 H new ATOM 0 HG23 THR A 112 -7.100 -9.259 0.805 1.00 1.00 H new ATOM 1765 N LEU A 113 -4.708 -8.295 3.262 1.00 1.00 N ATOM 1766 CA LEU A 113 -3.372 -7.694 3.267 1.00 1.00 C ATOM 1767 C LEU A 113 -2.768 -7.707 1.865 1.00 1.00 C ATOM 1768 O LEU A 113 -2.714 -8.747 1.212 1.00 1.00 O ATOM 1769 CB LEU A 113 -2.456 -8.456 4.232 1.00 1.00 C ATOM 1770 CG LEU A 113 -2.919 -8.485 5.691 1.00 1.00 C ATOM 1771 CD1 LEU A 113 -3.615 -9.803 6.014 1.00 1.00 C ATOM 1772 CD2 LEU A 113 -1.744 -8.259 6.630 1.00 1.00 C ATOM 0 H LEU A 113 -4.720 -9.292 3.046 1.00 1.00 H new ATOM 0 HA LEU A 113 -3.464 -6.659 3.597 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -2.358 -9.483 3.879 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -1.463 -8.009 4.192 1.00 1.00 H new ATOM 0 HG LEU A 113 -3.636 -7.677 5.835 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.935 -9.800 7.056 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.485 -9.923 5.368 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -2.924 -10.629 5.849 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.093 -8.283 7.662 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -1.002 -9.043 6.480 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -1.293 -7.289 6.422 1.00 1.00 H new ATOM 1784 N LEU A 114 -2.322 -6.552 1.399 1.00 1.00 N ATOM 1785 CA LEU A 114 -1.732 -6.451 0.067 1.00 1.00 C ATOM 1786 C LEU A 114 -0.213 -6.264 0.153 1.00 1.00 C ATOM 1787 O LEU A 114 0.271 -5.334 0.800 1.00 1.00 O ATOM 1788 CB LEU A 114 -2.355 -5.295 -0.702 1.00 1.00 C ATOM 1789 CG LEU A 114 -2.834 -5.652 -2.092 1.00 1.00 C ATOM 1790 CD1 LEU A 114 -1.661 -6.096 -2.954 1.00 1.00 C ATOM 1791 CD2 LEU A 114 -3.903 -6.740 -2.026 1.00 1.00 C ATOM 0 H LEU A 114 -2.355 -5.674 1.917 1.00 1.00 H new ATOM 0 HA LEU A 114 -1.935 -7.381 -0.463 1.00 1.00 H new ATOM 0 HB2 LEU A 114 -3.197 -4.907 -0.130 1.00 1.00 H new ATOM 0 HB3 LEU A 114 -1.624 -4.490 -0.779 1.00 1.00 H new ATOM 0 HG LEU A 114 -3.280 -4.768 -2.547 1.00 1.00 H new ATOM 0 HD11 LEU A 114 -2.018 -6.350 -3.952 1.00 1.00 H new ATOM 0 HD12 LEU A 114 -0.934 -5.287 -3.024 1.00 1.00 H new ATOM 0 HD13 LEU A 114 -1.189 -6.970 -2.504 1.00 1.00 H new ATOM 0 HD21 LEU A 114 -4.236 -6.984 -3.035 1.00 1.00 H new ATOM 0 HD22 LEU A 114 -3.487 -7.631 -1.555 1.00 1.00 H new ATOM 0 HD23 LEU A 114 -4.750 -6.383 -1.441 1.00 1.00 H new ATOM 1803 N VAL A 115 0.523 -7.152 -0.520 1.00 1.00 N ATOM 1804 CA VAL A 115 1.976 -7.100 -0.533 1.00 1.00 C ATOM 1805 C VAL A 115 2.524 -7.038 -1.953 1.00 1.00 C ATOM 1806 O VAL A 115 2.140 -7.829 -2.809 1.00 1.00 O ATOM 1807 CB VAL A 115 2.586 -8.330 0.178 1.00 1.00 C ATOM 1808 CG1 VAL A 115 2.169 -9.605 -0.532 1.00 1.00 C ATOM 1809 CG2 VAL A 115 4.103 -8.209 0.229 1.00 1.00 C ATOM 0 H VAL A 115 0.127 -7.918 -1.065 1.00 1.00 H new ATOM 0 HA VAL A 115 2.258 -6.192 -0.001 1.00 1.00 H new ATOM 0 HB VAL A 115 2.212 -8.370 1.201 1.00 1.00 H new ATOM 0 HG11 VAL A 115 2.605 -10.464 -0.022 1.00 1.00 H new ATOM 0 HG12 VAL A 115 1.082 -9.689 -0.521 1.00 1.00 H new ATOM 0 HG13 VAL A 115 2.520 -9.579 -1.564 1.00 1.00 H new ATOM 0 HG21 VAL A 115 4.521 -9.081 0.732 1.00 1.00 H new ATOM 0 HG22 VAL A 115 4.498 -8.151 -0.785 1.00 1.00 H new ATOM 0 HG23 VAL A 115 4.378 -7.308 0.777 1.00 1.00 H new ATOM 1819 N THR A 116 3.430 -6.096 -2.183 1.00 1.00 N ATOM 1820 CA THR A 116 4.054 -5.937 -3.492 1.00 1.00 C ATOM 1821 C THR A 116 5.556 -6.173 -3.382 1.00 1.00 C ATOM 1822 O THR A 116 6.221 -5.583 -2.537 1.00 1.00 O ATOM 1823 CB THR A 116 3.755 -4.547 -4.074 1.00 1.00 C ATOM 1824 OG1 THR A 116 4.772 -3.631 -3.721 1.00 1.00 O ATOM 1825 CG2 THR A 116 2.440 -3.961 -3.615 1.00 1.00 C ATOM 0 H THR A 116 3.750 -5.430 -1.480 1.00 1.00 H new ATOM 0 HA THR A 116 3.635 -6.677 -4.174 1.00 1.00 H new ATOM 0 HB THR A 116 3.704 -4.699 -5.152 1.00 1.00 H new ATOM 0 HG1 THR A 116 4.859 -2.952 -4.422 1.00 1.00 H new ATOM 0 HG21 THR A 116 2.301 -2.980 -4.069 1.00 1.00 H new ATOM 0 HG22 THR A 116 1.624 -4.618 -3.915 1.00 1.00 H new ATOM 0 HG23 THR A 116 2.445 -3.862 -2.530 1.00 1.00 H new ATOM 1833 N ARG A 117 6.083 -7.050 -4.233 1.00 1.00 N ATOM 1834 CA ARG A 117 7.509 -7.376 -4.218 1.00 1.00 C ATOM 1835 C ARG A 117 8.246 -6.739 -5.384 1.00 1.00 C ATOM 1836 O ARG A 117 7.791 -6.799 -6.528 1.00 1.00 O ATOM 1837 CB ARG A 117 7.703 -8.890 -4.281 1.00 1.00 C ATOM 1838 CG ARG A 117 8.655 -9.431 -3.226 1.00 1.00 C ATOM 1839 CD ARG A 117 8.577 -10.944 -3.127 1.00 1.00 C ATOM 1840 NE ARG A 117 8.004 -11.384 -1.855 1.00 1.00 N ATOM 1841 CZ ARG A 117 7.997 -12.649 -1.441 1.00 1.00 C ATOM 1842 NH1 ARG A 117 8.520 -13.606 -2.197 1.00 1.00 N ATOM 1843 NH2 ARG A 117 7.464 -12.958 -0.267 1.00 1.00 N ATOM 0 H ARG A 117 5.545 -7.548 -4.942 1.00 1.00 H new ATOM 0 HA ARG A 117 7.920 -6.980 -3.289 1.00 1.00 H new ATOM 0 HB2 ARG A 117 6.734 -9.376 -4.166 1.00 1.00 H new ATOM 0 HB3 ARG A 117 8.079 -9.158 -5.268 1.00 1.00 H new ATOM 0 HG2 ARG A 117 9.675 -9.134 -3.469 1.00 1.00 H new ATOM 0 HG3 ARG A 117 8.416 -8.990 -2.258 1.00 1.00 H new ATOM 0 HD2 ARG A 117 7.974 -11.330 -3.949 1.00 1.00 H new ATOM 0 HD3 ARG A 117 9.576 -11.366 -3.239 1.00 1.00 H new ATOM 0 HE ARG A 117 7.585 -10.679 -1.249 1.00 1.00 H new ATOM 0 HH11 ARG A 117 8.931 -13.374 -3.101 1.00 1.00 H new ATOM 0 HH12 ARG A 117 8.511 -14.573 -1.874 1.00 1.00 H new ATOM 0 HH21 ARG A 117 7.060 -12.227 0.318 1.00 1.00 H new ATOM 0 HH22 ARG A 117 7.458 -13.927 0.051 1.00 1.00 H new ATOM 1857 N LEU A 118 9.386 -6.120 -5.086 1.00 1.00 N ATOM 1858 CA LEU A 118 10.199 -5.461 -6.106 1.00 1.00 C ATOM 1859 C LEU A 118 11.482 -6.228 -6.379 1.00 1.00 C ATOM 1860 O LEU A 118 12.216 -6.542 -5.453 1.00 1.00 O ATOM 1861 CB LEU A 118 10.536 -4.034 -5.669 1.00 1.00 C ATOM 1862 CG LEU A 118 9.338 -3.196 -5.255 1.00 1.00 C ATOM 1863 CD1 LEU A 118 9.796 -1.830 -4.748 1.00 1.00 C ATOM 1864 CD2 LEU A 118 8.377 -3.040 -6.419 1.00 1.00 C ATOM 0 H LEU A 118 9.769 -6.061 -4.143 1.00 1.00 H new ATOM 0 HA LEU A 118 9.617 -5.435 -7.027 1.00 1.00 H new ATOM 0 HB2 LEU A 118 11.236 -4.080 -4.834 1.00 1.00 H new ATOM 0 HB3 LEU A 118 11.049 -3.530 -6.488 1.00 1.00 H new ATOM 0 HG LEU A 118 8.817 -3.706 -4.445 1.00 1.00 H new ATOM 0 HD11 LEU A 118 8.927 -1.241 -4.455 1.00 1.00 H new ATOM 0 HD12 LEU A 118 10.452 -1.962 -3.887 1.00 1.00 H new ATOM 0 HD13 LEU A 118 10.337 -1.311 -5.539 1.00 1.00 H new ATOM 0 HD21 LEU A 118 7.524 -2.438 -6.108 1.00 1.00 H new ATOM 0 HD22 LEU A 118 8.886 -2.548 -7.248 1.00 1.00 H new ATOM 0 HD23 LEU A 118 8.030 -4.023 -6.739 1.00 1.00 H new ATOM 1876 N ALA A 119 11.741 -6.529 -7.648 1.00 1.00 N ATOM 1877 CA ALA A 119 12.936 -7.264 -8.030 1.00 1.00 C ATOM 1878 C ALA A 119 14.193 -6.487 -7.675 1.00 1.00 C ATOM 1879 O ALA A 119 15.189 -7.057 -7.245 1.00 1.00 O ATOM 1880 CB ALA A 119 12.900 -7.578 -9.513 1.00 1.00 C ATOM 0 H ALA A 119 11.136 -6.273 -8.429 1.00 1.00 H new ATOM 0 HA ALA A 119 12.957 -8.201 -7.473 1.00 1.00 H new ATOM 0 HB1 ALA A 119 13.799 -8.129 -9.790 1.00 1.00 H new ATOM 0 HB2 ALA A 119 12.021 -8.183 -9.736 1.00 1.00 H new ATOM 0 HB3 ALA A 119 12.854 -6.649 -10.081 1.00 1.00 H new ATOM 1886 N GLY A 120 14.146 -5.177 -7.859 1.00 1.00 N ATOM 1887 CA GLY A 120 15.297 -4.342 -7.551 1.00 1.00 C ATOM 1888 C GLY A 120 15.582 -4.298 -6.061 1.00 1.00 C ATOM 1889 O GLY A 120 14.721 -4.650 -5.251 1.00 1.00 O ATOM 0 H GLY A 120 13.334 -4.673 -8.216 1.00 1.00 H new ATOM 0 HA2 GLY A 120 16.173 -4.722 -8.077 1.00 1.00 H new ATOM 0 HA3 GLY A 120 15.120 -3.331 -7.917 1.00 1.00 H new ATOM 1893 N SER A 121 16.785 -3.876 -5.697 1.00 1.00 N ATOM 1894 CA SER A 121 17.162 -3.798 -4.299 1.00 1.00 C ATOM 1895 C SER A 121 17.835 -2.469 -3.972 1.00 1.00 C ATOM 1896 O SER A 121 18.494 -1.868 -4.821 1.00 1.00 O ATOM 1897 CB SER A 121 18.091 -4.952 -3.949 1.00 1.00 C ATOM 1898 OG SER A 121 17.529 -6.197 -4.323 1.00 1.00 O ATOM 0 H SER A 121 17.512 -3.584 -6.350 1.00 1.00 H new ATOM 0 HA SER A 121 16.253 -3.866 -3.702 1.00 1.00 H new ATOM 0 HB2 SER A 121 19.048 -4.817 -4.453 1.00 1.00 H new ATOM 0 HB3 SER A 121 18.291 -4.948 -2.878 1.00 1.00 H new ATOM 0 HG SER A 121 18.148 -6.919 -4.088 1.00 1.00 H new ATOM 1904 N PHE A 122 17.655 -2.006 -2.739 1.00 1.00 N ATOM 1905 CA PHE A 122 18.232 -0.745 -2.300 1.00 1.00 C ATOM 1906 C PHE A 122 18.668 -0.810 -0.839 1.00 1.00 C ATOM 1907 O PHE A 122 18.153 -1.627 -0.077 1.00 1.00 O ATOM 1908 CB PHE A 122 17.236 0.396 -2.500 1.00 1.00 C ATOM 1909 CG PHE A 122 17.492 1.227 -3.726 1.00 1.00 C ATOM 1910 CD1 PHE A 122 18.363 2.304 -3.686 1.00 1.00 C ATOM 1911 CD2 PHE A 122 16.856 0.927 -4.921 1.00 1.00 C ATOM 1912 CE1 PHE A 122 18.595 3.067 -4.814 1.00 1.00 C ATOM 1913 CE2 PHE A 122 17.084 1.687 -6.052 1.00 1.00 C ATOM 1914 CZ PHE A 122 17.955 2.758 -5.999 1.00 1.00 C ATOM 0 H PHE A 122 17.111 -2.490 -2.025 1.00 1.00 H new ATOM 0 HA PHE A 122 19.117 -0.556 -2.908 1.00 1.00 H new ATOM 0 HB2 PHE A 122 16.230 -0.020 -2.560 1.00 1.00 H new ATOM 0 HB3 PHE A 122 17.261 1.044 -1.624 1.00 1.00 H new ATOM 0 HD1 PHE A 122 18.866 2.550 -2.762 1.00 1.00 H new ATOM 0 HD2 PHE A 122 16.175 0.090 -4.968 1.00 1.00 H new ATOM 0 HE1 PHE A 122 19.276 3.904 -4.770 1.00 1.00 H new ATOM 0 HE2 PHE A 122 16.582 1.444 -6.977 1.00 1.00 H new ATOM 0 HZ PHE A 122 18.135 3.353 -6.882 1.00 1.00 H new ATOM 1924 N GLU A 123 19.614 0.038 -0.479 1.00 1.00 N ATOM 1925 CA GLU A 123 20.119 0.077 0.876 1.00 1.00 C ATOM 1926 C GLU A 123 19.346 1.095 1.709 1.00 1.00 C ATOM 1927 O GLU A 123 18.998 2.167 1.210 1.00 1.00 O ATOM 1928 CB GLU A 123 21.614 0.407 0.879 1.00 1.00 C ATOM 1929 CG GLU A 123 22.484 -0.716 0.322 1.00 1.00 C ATOM 1930 CD GLU A 123 23.899 -0.268 0.042 1.00 1.00 C ATOM 1931 OE1 GLU A 123 24.675 -0.059 0.997 1.00 1.00 O ATOM 1932 OE2 GLU A 123 24.231 -0.127 -1.154 1.00 1.00 O ATOM 0 H GLU A 123 20.048 0.711 -1.111 1.00 1.00 H new ATOM 0 HA GLU A 123 19.980 -0.907 1.323 1.00 1.00 H new ATOM 0 HB2 GLU A 123 21.780 1.310 0.292 1.00 1.00 H new ATOM 0 HB3 GLU A 123 21.928 0.628 1.899 1.00 1.00 H new ATOM 0 HG2 GLU A 123 22.502 -1.543 1.032 1.00 1.00 H new ATOM 0 HG3 GLU A 123 22.038 -1.095 -0.598 1.00 1.00 H new ATOM 1939 N GLY A 124 19.074 0.752 2.958 1.00 1.00 N ATOM 1940 CA GLY A 124 18.329 1.650 3.819 1.00 1.00 C ATOM 1941 C GLY A 124 18.418 1.271 5.282 1.00 1.00 C ATOM 1942 O GLY A 124 18.861 0.172 5.625 1.00 1.00 O ATOM 0 H GLY A 124 19.354 -0.128 3.391 1.00 1.00 H new ATOM 0 HA2 GLY A 124 18.704 2.665 3.688 1.00 1.00 H new ATOM 0 HA3 GLY A 124 17.283 1.655 3.513 1.00 1.00 H new ATOM 1946 N ASP A 125 17.972 2.171 6.142 1.00 1.00 N ATOM 1947 CA ASP A 125 17.981 1.927 7.583 1.00 1.00 C ATOM 1948 C ASP A 125 16.657 1.342 8.092 1.00 1.00 C ATOM 1949 O ASP A 125 16.502 1.126 9.286 1.00 1.00 O ATOM 1950 CB ASP A 125 18.291 3.224 8.339 1.00 1.00 C ATOM 1951 CG ASP A 125 19.778 3.457 8.487 1.00 1.00 C ATOM 1952 OD1 ASP A 125 20.552 2.895 7.683 1.00 1.00 O ATOM 1953 OD2 ASP A 125 20.172 4.192 9.416 1.00 1.00 O ATOM 0 H ASP A 125 17.598 3.080 5.871 1.00 1.00 H new ATOM 0 HA ASP A 125 18.760 1.189 7.771 1.00 1.00 H new ATOM 0 HB2 ASP A 125 17.844 4.066 7.811 1.00 1.00 H new ATOM 0 HB3 ASP A 125 17.831 3.186 9.326 1.00 1.00 H new ATOM 1958 N THR A 126 15.705 1.109 7.187 1.00 1.00 N ATOM 1959 CA THR A 126 14.408 0.581 7.565 1.00 1.00 C ATOM 1960 C THR A 126 14.149 -0.773 6.909 1.00 1.00 C ATOM 1961 O THR A 126 14.282 -0.924 5.691 1.00 1.00 O ATOM 1962 CB THR A 126 13.305 1.582 7.197 1.00 1.00 C ATOM 1963 OG1 THR A 126 13.778 2.907 7.300 1.00 1.00 O ATOM 1964 CG2 THR A 126 12.066 1.446 8.059 1.00 1.00 C ATOM 0 H THR A 126 15.815 1.280 6.188 1.00 1.00 H new ATOM 0 HA THR A 126 14.401 0.431 8.645 1.00 1.00 H new ATOM 0 HB THR A 126 13.029 1.352 6.168 1.00 1.00 H new ATOM 0 HG1 THR A 126 13.921 3.274 6.403 1.00 1.00 H new ATOM 0 HG21 THR A 126 11.324 2.182 7.748 1.00 1.00 H new ATOM 0 HG22 THR A 126 11.653 0.444 7.946 1.00 1.00 H new ATOM 0 HG23 THR A 126 12.329 1.615 9.103 1.00 1.00 H new ATOM 1972 N LYS A 127 13.776 -1.752 7.725 1.00 1.00 N ATOM 1973 CA LYS A 127 13.489 -3.094 7.241 1.00 1.00 C ATOM 1974 C LYS A 127 12.075 -3.509 7.601 1.00 1.00 C ATOM 1975 O LYS A 127 11.571 -3.167 8.672 1.00 1.00 O ATOM 1976 CB LYS A 127 14.482 -4.098 7.827 1.00 1.00 C ATOM 1977 CG LYS A 127 15.846 -4.054 7.161 1.00 1.00 C ATOM 1978 CD LYS A 127 16.266 -5.426 6.659 1.00 1.00 C ATOM 1979 CE LYS A 127 17.395 -5.336 5.647 1.00 1.00 C ATOM 1980 NZ LYS A 127 17.823 -6.678 5.157 1.00 1.00 N ATOM 0 H LYS A 127 13.665 -1.638 8.733 1.00 1.00 H new ATOM 0 HA LYS A 127 13.586 -3.085 6.155 1.00 1.00 H new ATOM 0 HB2 LYS A 127 14.600 -3.902 8.893 1.00 1.00 H new ATOM 0 HB3 LYS A 127 14.071 -5.103 7.731 1.00 1.00 H new ATOM 0 HG2 LYS A 127 15.822 -3.352 6.327 1.00 1.00 H new ATOM 0 HG3 LYS A 127 16.586 -3.683 7.870 1.00 1.00 H new ATOM 0 HD2 LYS A 127 16.582 -6.040 7.502 1.00 1.00 H new ATOM 0 HD3 LYS A 127 15.410 -5.924 6.205 1.00 1.00 H new ATOM 0 HE2 LYS A 127 17.074 -4.728 4.801 1.00 1.00 H new ATOM 0 HE3 LYS A 127 18.247 -4.828 6.100 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 18.595 -6.566 4.469 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 18.154 -7.251 5.959 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 17.019 -7.154 4.701 1.00 1.00 H new ATOM 1994 N MET A 128 11.427 -4.244 6.704 1.00 1.00 N ATOM 1995 CA MET A 128 10.060 -4.693 6.938 1.00 1.00 C ATOM 1996 C MET A 128 10.035 -5.852 7.925 1.00 1.00 C ATOM 1997 O MET A 128 10.913 -6.714 7.891 1.00 1.00 O ATOM 1998 CB MET A 128 9.413 -5.109 5.618 1.00 1.00 C ATOM 1999 CG MET A 128 9.639 -6.565 5.237 1.00 1.00 C ATOM 2000 SD MET A 128 11.393 -6.966 5.026 1.00 1.00 S ATOM 2001 CE MET A 128 11.426 -8.670 5.587 1.00 1.00 C ATOM 0 H MET A 128 11.824 -4.540 5.812 1.00 1.00 H new ATOM 0 HA MET A 128 9.493 -3.867 7.367 1.00 1.00 H new ATOM 0 HB2 MET A 128 8.340 -4.925 5.679 1.00 1.00 H new ATOM 0 HB3 MET A 128 9.800 -4.474 4.822 1.00 1.00 H new ATOM 0 HG2 MET A 128 9.213 -7.208 6.007 1.00 1.00 H new ATOM 0 HG3 MET A 128 9.107 -6.781 4.311 1.00 1.00 H new ATOM 0 HE1 MET A 128 12.440 -8.934 5.889 1.00 1.00 H new ATOM 0 HE2 MET A 128 10.753 -8.787 6.436 1.00 1.00 H new ATOM 0 HE3 MET A 128 11.106 -9.326 4.777 1.00 1.00 H new ATOM 2011 N ILE A 129 9.038 -5.855 8.806 1.00 1.00 N ATOM 2012 CA ILE A 129 8.889 -6.910 9.811 1.00 1.00 C ATOM 2013 C ILE A 129 8.559 -8.258 9.180 1.00 1.00 C ATOM 2014 O ILE A 129 8.028 -8.340 8.078 1.00 1.00 O ATOM 2015 CB ILE A 129 7.829 -6.579 10.889 1.00 1.00 C ATOM 2016 CG1 ILE A 129 6.785 -5.574 10.377 1.00 1.00 C ATOM 2017 CG2 ILE A 129 8.496 -6.042 12.152 1.00 1.00 C ATOM 2018 CD1 ILE A 129 6.099 -5.999 9.093 1.00 1.00 C ATOM 0 H ILE A 129 8.316 -5.135 8.846 1.00 1.00 H new ATOM 0 HA ILE A 129 9.861 -6.971 10.301 1.00 1.00 H new ATOM 0 HB ILE A 129 7.310 -7.508 11.126 1.00 1.00 H new ATOM 0 HG12 ILE A 129 6.030 -5.425 11.149 1.00 1.00 H new ATOM 0 HG13 ILE A 129 7.270 -4.611 10.216 1.00 1.00 H new ATOM 0 HG21 ILE A 129 7.734 -5.815 12.898 1.00 1.00 H new ATOM 0 HG22 ILE A 129 9.180 -6.792 12.549 1.00 1.00 H new ATOM 0 HG23 ILE A 129 9.051 -5.135 11.913 1.00 1.00 H new ATOM 0 HD11 ILE A 129 5.377 -5.238 8.797 1.00 1.00 H new ATOM 0 HD12 ILE A 129 6.843 -6.119 8.306 1.00 1.00 H new ATOM 0 HD13 ILE A 129 5.583 -6.946 9.252 1.00 1.00 H new ATOM 2030 N PRO A 130 8.862 -9.355 9.898 1.00 1.00 N ATOM 2031 CA PRO A 130 8.600 -10.713 9.412 1.00 1.00 C ATOM 2032 C PRO A 130 7.124 -10.982 9.142 1.00 1.00 C ATOM 2033 O PRO A 130 6.264 -10.501 9.864 1.00 1.00 O ATOM 2034 CB PRO A 130 9.098 -11.599 10.562 1.00 1.00 C ATOM 2035 CG PRO A 130 9.159 -10.713 11.747 1.00 1.00 C ATOM 2036 CD PRO A 130 9.480 -9.347 11.226 1.00 1.00 C ATOM 0 HA PRO A 130 9.092 -10.896 8.456 1.00 1.00 H new ATOM 0 HB2 PRO A 130 8.422 -12.437 10.733 1.00 1.00 H new ATOM 0 HB3 PRO A 130 10.078 -12.021 10.337 1.00 1.00 H new ATOM 0 HG2 PRO A 130 8.210 -10.713 12.283 1.00 1.00 H new ATOM 0 HG3 PRO A 130 9.921 -11.052 12.449 1.00 1.00 H new ATOM 0 HD2 PRO A 130 9.065 -8.564 11.861 1.00 1.00 H new ATOM 0 HD3 PRO A 130 10.555 -9.177 11.171 1.00 1.00 H new ATOM 2044 N LEU A 131 6.866 -11.767 8.097 1.00 1.00 N ATOM 2045 CA LEU A 131 5.509 -12.127 7.723 1.00 1.00 C ATOM 2046 C LEU A 131 5.223 -13.584 8.071 1.00 1.00 C ATOM 2047 O LEU A 131 5.983 -14.486 7.701 1.00 1.00 O ATOM 2048 CB LEU A 131 5.308 -11.881 6.229 1.00 1.00 C ATOM 2049 CG LEU A 131 4.826 -10.484 5.857 1.00 1.00 C ATOM 2050 CD1 LEU A 131 5.846 -9.439 6.269 1.00 1.00 C ATOM 2051 CD2 LEU A 131 4.532 -10.401 4.368 1.00 1.00 C ATOM 0 H LEU A 131 7.587 -12.165 7.495 1.00 1.00 H new ATOM 0 HA LEU A 131 4.810 -11.506 8.283 1.00 1.00 H new ATOM 0 HB2 LEU A 131 6.251 -12.070 5.716 1.00 1.00 H new ATOM 0 HB3 LEU A 131 4.589 -12.608 5.852 1.00 1.00 H new ATOM 0 HG LEU A 131 3.901 -10.282 6.397 1.00 1.00 H new ATOM 0 HD11 LEU A 131 5.483 -8.448 5.995 1.00 1.00 H new ATOM 0 HD12 LEU A 131 5.998 -9.484 7.347 1.00 1.00 H new ATOM 0 HD13 LEU A 131 6.791 -9.633 5.761 1.00 1.00 H new ATOM 0 HD21 LEU A 131 4.189 -9.396 4.120 1.00 1.00 H new ATOM 0 HD22 LEU A 131 5.438 -10.624 3.805 1.00 1.00 H new ATOM 0 HD23 LEU A 131 3.757 -11.123 4.109 1.00 1.00 H new ATOM 2063 N ASN A 132 4.118 -13.823 8.769 1.00 1.00 N ATOM 2064 CA ASN A 132 3.767 -15.184 9.131 1.00 1.00 C ATOM 2065 C ASN A 132 2.919 -15.825 8.046 1.00 1.00 C ATOM 2066 O ASN A 132 1.740 -15.505 7.876 1.00 1.00 O ATOM 2067 CB ASN A 132 3.026 -15.211 10.467 1.00 1.00 C ATOM 2068 CG ASN A 132 3.927 -14.829 11.638 1.00 1.00 C ATOM 2069 OD1 ASN A 132 5.050 -15.322 11.757 1.00 1.00 O ATOM 2070 ND2 ASN A 132 3.438 -13.944 12.499 1.00 1.00 N ATOM 0 H ASN A 132 3.465 -13.107 9.088 1.00 1.00 H new ATOM 0 HA ASN A 132 4.689 -15.757 9.234 1.00 1.00 H new ATOM 0 HB2 ASN A 132 2.180 -14.525 10.424 1.00 1.00 H new ATOM 0 HB3 ASN A 132 2.620 -16.209 10.634 1.00 1.00 H new ATOM 0 HD21 ASN A 132 3.998 -13.647 13.298 1.00 1.00 H new ATOM 0 HD22 ASN A 132 2.502 -13.562 12.361 1.00 1.00 H new ATOM 2077 N TRP A 133 3.535 -16.720 7.311 1.00 1.00 N ATOM 2078 CA TRP A 133 2.871 -17.427 6.221 1.00 1.00 C ATOM 2079 C TRP A 133 1.660 -18.225 6.704 1.00 1.00 C ATOM 2080 O TRP A 133 0.631 -18.259 6.037 1.00 1.00 O ATOM 2081 CB TRP A 133 3.841 -18.367 5.537 1.00 1.00 C ATOM 2082 CG TRP A 133 4.953 -17.651 4.842 1.00 1.00 C ATOM 2083 CD1 TRP A 133 5.272 -16.330 4.952 1.00 1.00 C ATOM 2084 CD2 TRP A 133 5.895 -18.220 3.931 1.00 1.00 C ATOM 2085 NE1 TRP A 133 6.359 -16.042 4.163 1.00 1.00 N ATOM 2086 CE2 TRP A 133 6.759 -17.187 3.526 1.00 1.00 C ATOM 2087 CE3 TRP A 133 6.092 -19.504 3.418 1.00 1.00 C ATOM 2088 CZ2 TRP A 133 7.803 -17.398 2.633 1.00 1.00 C ATOM 2089 CZ3 TRP A 133 7.130 -19.713 2.531 1.00 1.00 C ATOM 2090 CH2 TRP A 133 7.974 -18.665 2.147 1.00 1.00 C ATOM 0 H TRP A 133 4.511 -16.985 7.445 1.00 1.00 H new ATOM 0 HA TRP A 133 2.522 -16.670 5.518 1.00 1.00 H new ATOM 0 HB2 TRP A 133 4.261 -19.049 6.277 1.00 1.00 H new ATOM 0 HB3 TRP A 133 3.300 -18.976 4.813 1.00 1.00 H new ATOM 0 HD1 TRP A 133 4.747 -15.615 5.569 1.00 1.00 H new ATOM 0 HE1 TRP A 133 6.797 -15.126 4.067 1.00 1.00 H new ATOM 0 HE3 TRP A 133 5.445 -20.318 3.709 1.00 1.00 H new ATOM 0 HZ2 TRP A 133 8.455 -16.591 2.334 1.00 1.00 H new ATOM 0 HZ3 TRP A 133 7.293 -20.701 2.127 1.00 1.00 H new ATOM 0 HH2 TRP A 133 8.777 -18.861 1.452 1.00 1.00 H new ATOM 2101 N ASP A 134 1.793 -18.875 7.851 1.00 1.00 N ATOM 2102 CA ASP A 134 0.708 -19.678 8.399 1.00 1.00 C ATOM 2103 C ASP A 134 -0.509 -18.837 8.773 1.00 1.00 C ATOM 2104 O ASP A 134 -1.642 -19.289 8.638 1.00 1.00 O ATOM 2105 CB ASP A 134 1.190 -20.449 9.629 1.00 1.00 C ATOM 2106 CG ASP A 134 1.991 -21.673 9.267 1.00 1.00 C ATOM 2107 OD1 ASP A 134 1.372 -22.690 8.885 1.00 1.00 O ATOM 2108 OD2 ASP A 134 3.236 -21.624 9.355 1.00 1.00 O ATOM 0 H ASP A 134 2.640 -18.863 8.420 1.00 1.00 H new ATOM 0 HA ASP A 134 0.403 -20.373 7.617 1.00 1.00 H new ATOM 0 HB2 ASP A 134 1.798 -19.792 10.250 1.00 1.00 H new ATOM 0 HB3 ASP A 134 0.329 -20.746 10.228 1.00 1.00 H new ATOM 2113 N ASP A 135 -0.273 -17.617 9.252 1.00 1.00 N ATOM 2114 CA ASP A 135 -1.356 -16.727 9.670 1.00 1.00 C ATOM 2115 C ASP A 135 -2.256 -16.301 8.509 1.00 1.00 C ATOM 2116 O ASP A 135 -3.465 -16.120 8.674 1.00 1.00 O ATOM 2117 CB ASP A 135 -0.759 -15.513 10.377 1.00 1.00 C ATOM 2118 CG ASP A 135 -1.359 -15.294 11.756 1.00 1.00 C ATOM 2119 OD1 ASP A 135 -0.958 -16.008 12.699 1.00 1.00 O ATOM 2120 OD2 ASP A 135 -2.229 -14.408 11.890 1.00 1.00 O ATOM 0 H ASP A 135 0.661 -17.221 9.361 1.00 1.00 H new ATOM 0 HA ASP A 135 -1.998 -17.277 10.358 1.00 1.00 H new ATOM 0 HB2 ASP A 135 0.319 -15.643 10.469 1.00 1.00 H new ATOM 0 HB3 ASP A 135 -0.922 -14.624 9.767 1.00 1.00 H new ATOM 2125 N PHE A 136 -1.669 -16.117 7.339 1.00 1.00 N ATOM 2126 CA PHE A 136 -2.432 -15.692 6.172 1.00 1.00 C ATOM 2127 C PHE A 136 -2.154 -16.536 4.929 1.00 1.00 C ATOM 2128 O PHE A 136 -1.052 -17.051 4.729 1.00 1.00 O ATOM 2129 CB PHE A 136 -2.127 -14.230 5.864 1.00 1.00 C ATOM 2130 CG PHE A 136 -2.697 -13.289 6.874 1.00 1.00 C ATOM 2131 CD1 PHE A 136 -4.042 -12.957 6.841 1.00 1.00 C ATOM 2132 CD2 PHE A 136 -1.899 -12.740 7.866 1.00 1.00 C ATOM 2133 CE1 PHE A 136 -4.580 -12.094 7.778 1.00 1.00 C ATOM 2134 CE2 PHE A 136 -2.432 -11.878 8.805 1.00 1.00 C ATOM 2135 CZ PHE A 136 -3.774 -11.555 8.761 1.00 1.00 C ATOM 0 H PHE A 136 -0.673 -16.254 7.169 1.00 1.00 H new ATOM 0 HA PHE A 136 -3.485 -15.825 6.422 1.00 1.00 H new ATOM 0 HB2 PHE A 136 -1.047 -14.092 5.816 1.00 1.00 H new ATOM 0 HB3 PHE A 136 -2.524 -13.982 4.880 1.00 1.00 H new ATOM 0 HD1 PHE A 136 -4.677 -13.377 6.075 1.00 1.00 H new ATOM 0 HD2 PHE A 136 -0.849 -12.989 7.905 1.00 1.00 H new ATOM 0 HE1 PHE A 136 -5.630 -11.842 7.741 1.00 1.00 H new ATOM 0 HE2 PHE A 136 -1.800 -11.457 9.573 1.00 1.00 H new ATOM 0 HZ PHE A 136 -4.192 -10.882 9.494 1.00 1.00 H new ATOM 2145 N THR A 137 -3.167 -16.657 4.072 1.00 1.00 N ATOM 2146 CA THR A 137 -3.033 -17.409 2.838 1.00 1.00 C ATOM 2147 C THR A 137 -3.282 -16.501 1.640 1.00 1.00 C ATOM 2148 O THR A 137 -4.278 -15.783 1.598 1.00 1.00 O ATOM 2149 CB THR A 137 -4.027 -18.567 2.811 1.00 1.00 C ATOM 2150 OG1 THR A 137 -4.050 -19.180 1.529 1.00 1.00 O ATOM 2151 CG2 THR A 137 -5.433 -18.144 3.136 1.00 1.00 C ATOM 0 H THR A 137 -4.087 -16.241 4.215 1.00 1.00 H new ATOM 0 HA THR A 137 -2.019 -17.806 2.786 1.00 1.00 H new ATOM 0 HB THR A 137 -3.684 -19.264 3.576 1.00 1.00 H new ATOM 0 HG1 THR A 137 -4.692 -19.921 1.532 1.00 1.00 H new ATOM 0 HG21 THR A 137 -6.091 -19.012 3.100 1.00 1.00 H new ATOM 0 HG22 THR A 137 -5.460 -17.709 4.135 1.00 1.00 H new ATOM 0 HG23 THR A 137 -5.768 -17.404 2.409 1.00 1.00 H new ATOM 2159 N LYS A 138 -2.370 -16.509 0.677 1.00 1.00 N ATOM 2160 CA LYS A 138 -2.526 -15.655 -0.491 1.00 1.00 C ATOM 2161 C LYS A 138 -3.728 -16.084 -1.313 1.00 1.00 C ATOM 2162 O LYS A 138 -3.827 -17.230 -1.759 1.00 1.00 O ATOM 2163 CB LYS A 138 -1.266 -15.689 -1.347 1.00 1.00 C ATOM 2164 CG LYS A 138 -0.988 -17.051 -1.965 1.00 1.00 C ATOM 2165 CD LYS A 138 0.349 -17.066 -2.695 1.00 1.00 C ATOM 2166 CE LYS A 138 0.762 -18.483 -3.078 1.00 1.00 C ATOM 2167 NZ LYS A 138 2.226 -18.674 -2.984 1.00 1.00 N ATOM 0 H LYS A 138 -1.529 -17.086 0.680 1.00 1.00 H new ATOM 0 HA LYS A 138 -2.689 -14.634 -0.147 1.00 1.00 H new ATOM 0 HB2 LYS A 138 -1.357 -14.950 -2.143 1.00 1.00 H new ATOM 0 HB3 LYS A 138 -0.413 -15.396 -0.735 1.00 1.00 H new ATOM 0 HG2 LYS A 138 -0.988 -17.813 -1.186 1.00 1.00 H new ATOM 0 HG3 LYS A 138 -1.787 -17.307 -2.661 1.00 1.00 H new ATOM 0 HD2 LYS A 138 0.282 -16.451 -3.592 1.00 1.00 H new ATOM 0 HD3 LYS A 138 1.116 -16.622 -2.061 1.00 1.00 H new ATOM 0 HE2 LYS A 138 0.260 -19.197 -2.425 1.00 1.00 H new ATOM 0 HE3 LYS A 138 0.433 -18.695 -4.095 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 2.467 -19.650 -3.252 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 2.705 -18.010 -3.626 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 2.537 -18.497 -2.008 1.00 1.00 H new ATOM 2181 N VAL A 139 -4.636 -15.150 -1.536 1.00 1.00 N ATOM 2182 CA VAL A 139 -5.821 -15.423 -2.333 1.00 1.00 C ATOM 2183 C VAL A 139 -5.421 -15.743 -3.761 1.00 1.00 C ATOM 2184 O VAL A 139 -5.950 -16.672 -4.383 1.00 1.00 O ATOM 2185 CB VAL A 139 -6.847 -14.264 -2.327 1.00 1.00 C ATOM 2186 CG1 VAL A 139 -7.791 -14.398 -1.135 1.00 1.00 C ATOM 2187 CG2 VAL A 139 -6.168 -12.899 -2.325 1.00 1.00 C ATOM 0 H VAL A 139 -4.576 -14.197 -1.177 1.00 1.00 H new ATOM 0 HA VAL A 139 -6.312 -16.280 -1.873 1.00 1.00 H new ATOM 0 HB VAL A 139 -7.426 -14.334 -3.248 1.00 1.00 H new ATOM 0 HG11 VAL A 139 -8.507 -13.576 -1.144 1.00 1.00 H new ATOM 0 HG12 VAL A 139 -8.326 -15.346 -1.199 1.00 1.00 H new ATOM 0 HG13 VAL A 139 -7.215 -14.368 -0.210 1.00 1.00 H new ATOM 0 HG21 VAL A 139 -6.926 -12.116 -2.321 1.00 1.00 H new ATOM 0 HG22 VAL A 139 -5.544 -12.805 -1.437 1.00 1.00 H new ATOM 0 HG23 VAL A 139 -5.548 -12.800 -3.216 1.00 1.00 H new ATOM 2197 N SER A 140 -4.475 -14.948 -4.285 1.00 1.00 N ATOM 2198 CA SER A 140 -3.988 -15.125 -5.648 1.00 1.00 C ATOM 2199 C SER A 140 -2.616 -14.479 -5.822 1.00 1.00 C ATOM 2200 O SER A 140 -2.192 -13.669 -4.988 1.00 1.00 O ATOM 2201 CB SER A 140 -4.971 -14.526 -6.663 1.00 1.00 C ATOM 2202 OG SER A 140 -6.210 -14.207 -6.069 1.00 1.00 O ATOM 0 H SER A 140 -4.037 -14.178 -3.779 1.00 1.00 H new ATOM 0 HA SER A 140 -3.901 -16.196 -5.831 1.00 1.00 H new ATOM 0 HB2 SER A 140 -4.537 -13.628 -7.102 1.00 1.00 H new ATOM 0 HB3 SER A 140 -5.130 -15.234 -7.476 1.00 1.00 H new ATOM 0 HG SER A 140 -6.809 -13.827 -6.745 1.00 1.00 H new ATOM 2208 N SER A 141 -1.938 -14.819 -6.903 1.00 1.00 N ATOM 2209 CA SER A 141 -0.615 -14.272 -7.181 1.00 1.00 C ATOM 2210 C SER A 141 -0.508 -13.812 -8.629 1.00 1.00 C ATOM 2211 O SER A 141 -1.140 -14.381 -9.513 1.00 1.00 O ATOM 2212 CB SER A 141 0.464 -15.323 -6.894 1.00 1.00 C ATOM 2213 OG SER A 141 -0.120 -16.609 -6.698 1.00 1.00 O ATOM 0 H SER A 141 -2.280 -15.473 -7.607 1.00 1.00 H new ATOM 0 HA SER A 141 -0.464 -13.411 -6.530 1.00 1.00 H new ATOM 0 HB2 SER A 141 1.170 -15.362 -7.724 1.00 1.00 H new ATOM 0 HB3 SER A 141 1.030 -15.037 -6.007 1.00 1.00 H new ATOM 0 HG SER A 141 0.586 -17.265 -6.518 1.00 1.00 H new ATOM 2219 N ARG A 142 0.297 -12.778 -8.864 1.00 1.00 N ATOM 2220 CA ARG A 142 0.481 -12.239 -10.207 1.00 1.00 C ATOM 2221 C ARG A 142 1.962 -12.055 -10.514 1.00 1.00 C ATOM 2222 O ARG A 142 2.763 -11.717 -9.632 1.00 1.00 O ATOM 2223 CB ARG A 142 -0.267 -10.912 -10.362 1.00 1.00 C ATOM 2224 CG ARG A 142 -0.248 -10.360 -11.775 1.00 1.00 C ATOM 2225 CD ARG A 142 -1.388 -10.925 -12.607 1.00 1.00 C ATOM 2226 NE ARG A 142 -1.039 -11.018 -14.024 1.00 1.00 N ATOM 2227 CZ ARG A 142 -1.907 -11.317 -14.989 1.00 1.00 C ATOM 2228 NH1 ARG A 142 -3.190 -11.505 -14.706 1.00 1.00 N ATOM 2229 NH2 ARG A 142 -1.491 -11.421 -16.244 1.00 1.00 N ATOM 0 H ARG A 142 0.832 -12.297 -8.141 1.00 1.00 H new ATOM 0 HA ARG A 142 0.068 -12.952 -10.920 1.00 1.00 H new ATOM 0 HB2 ARG A 142 -1.302 -11.051 -10.050 1.00 1.00 H new ATOM 0 HB3 ARG A 142 0.173 -10.177 -9.689 1.00 1.00 H new ATOM 0 HG2 ARG A 142 -0.323 -9.273 -11.744 1.00 1.00 H new ATOM 0 HG3 ARG A 142 0.704 -10.601 -12.248 1.00 1.00 H new ATOM 0 HD2 ARG A 142 -1.654 -11.914 -12.234 1.00 1.00 H new ATOM 0 HD3 ARG A 142 -2.269 -10.293 -12.491 1.00 1.00 H new ATOM 0 HE ARG A 142 -0.070 -10.843 -14.290 1.00 1.00 H new ATOM 0 HH11 ARG A 142 -3.518 -11.421 -13.744 1.00 1.00 H new ATOM 0 HH12 ARG A 142 -3.848 -11.734 -15.451 1.00 1.00 H new ATOM 0 HH21 ARG A 142 -0.507 -11.272 -16.469 1.00 1.00 H new ATOM 0 HH22 ARG A 142 -2.155 -11.650 -16.984 1.00 1.00 H new ATOM 2243 N THR A 143 2.327 -12.292 -11.771 1.00 1.00 N ATOM 2244 CA THR A 143 3.715 -12.167 -12.192 1.00 1.00 C ATOM 2245 C THR A 143 3.866 -11.098 -13.285 1.00 1.00 C ATOM 2246 O THR A 143 3.135 -11.102 -14.283 1.00 1.00 O ATOM 2247 CB THR A 143 4.228 -13.517 -12.715 1.00 1.00 C ATOM 2248 OG1 THR A 143 4.100 -14.521 -11.732 1.00 1.00 O ATOM 2249 CG2 THR A 143 5.669 -13.487 -13.169 1.00 1.00 C ATOM 0 H THR A 143 1.683 -12.570 -12.511 1.00 1.00 H new ATOM 0 HA THR A 143 4.305 -11.862 -11.328 1.00 1.00 H new ATOM 0 HB THR A 143 3.605 -13.737 -13.582 1.00 1.00 H new ATOM 0 HG1 THR A 143 4.431 -15.372 -12.088 1.00 1.00 H new ATOM 0 HG21 THR A 143 5.959 -14.476 -13.525 1.00 1.00 H new ATOM 0 HG22 THR A 143 5.781 -12.764 -13.977 1.00 1.00 H new ATOM 0 HG23 THR A 143 6.308 -13.200 -12.334 1.00 1.00 H new ATOM 2257 N VAL A 144 4.814 -10.200 -13.090 1.00 1.00 N ATOM 2258 CA VAL A 144 5.076 -9.135 -14.049 1.00 1.00 C ATOM 2259 C VAL A 144 6.500 -9.254 -14.604 1.00 1.00 C ATOM 2260 O VAL A 144 7.460 -9.368 -13.838 1.00 1.00 O ATOM 2261 CB VAL A 144 4.886 -7.744 -13.413 1.00 1.00 C ATOM 2262 CG1 VAL A 144 4.910 -6.666 -14.478 1.00 1.00 C ATOM 2263 CG2 VAL A 144 3.605 -7.683 -12.615 1.00 1.00 C ATOM 0 H VAL A 144 5.421 -10.185 -12.271 1.00 1.00 H new ATOM 0 HA VAL A 144 4.358 -9.243 -14.862 1.00 1.00 H new ATOM 0 HB VAL A 144 5.714 -7.568 -12.727 1.00 1.00 H new ATOM 0 HG11 VAL A 144 4.774 -5.690 -14.011 1.00 1.00 H new ATOM 0 HG12 VAL A 144 5.868 -6.690 -14.998 1.00 1.00 H new ATOM 0 HG13 VAL A 144 4.105 -6.842 -15.192 1.00 1.00 H new ATOM 0 HG21 VAL A 144 3.496 -6.691 -12.177 1.00 1.00 H new ATOM 0 HG22 VAL A 144 2.758 -7.886 -13.270 1.00 1.00 H new ATOM 0 HG23 VAL A 144 3.635 -8.429 -11.821 1.00 1.00 H new ATOM 2273 N GLU A 145 6.640 -9.225 -15.928 1.00 1.00 N ATOM 2274 CA GLU A 145 7.943 -9.347 -16.571 1.00 1.00 C ATOM 2275 C GLU A 145 8.284 -8.115 -17.407 1.00 1.00 C ATOM 2276 O GLU A 145 7.416 -7.502 -18.029 1.00 1.00 O ATOM 2277 CB GLU A 145 7.973 -10.606 -17.440 1.00 1.00 C ATOM 2278 CG GLU A 145 7.296 -11.803 -16.789 1.00 1.00 C ATOM 2279 CD GLU A 145 7.583 -13.111 -17.518 1.00 1.00 C ATOM 2280 OE1 GLU A 145 7.760 -13.075 -18.754 1.00 1.00 O ATOM 2281 OE2 GLU A 145 7.641 -14.164 -16.849 1.00 1.00 O ATOM 0 H GLU A 145 5.861 -9.117 -16.578 1.00 1.00 H new ATOM 0 HA GLU A 145 8.698 -9.425 -15.789 1.00 1.00 H new ATOM 0 HB2 GLU A 145 7.485 -10.394 -18.391 1.00 1.00 H new ATOM 0 HB3 GLU A 145 9.009 -10.860 -17.663 1.00 1.00 H new ATOM 0 HG2 GLU A 145 7.632 -11.887 -15.755 1.00 1.00 H new ATOM 0 HG3 GLU A 145 6.219 -11.636 -16.762 1.00 1.00 H new ATOM 2288 N ASP A 146 9.574 -7.739 -17.424 1.00 1.00 N ATOM 2289 CA ASP A 146 10.023 -6.564 -18.174 1.00 1.00 C ATOM 2290 C ASP A 146 11.490 -6.695 -18.591 1.00 1.00 C ATOM 2291 O ASP A 146 12.184 -7.629 -18.194 1.00 1.00 O ATOM 2292 CB ASP A 146 9.825 -5.304 -17.326 1.00 1.00 C ATOM 2293 CG ASP A 146 8.790 -4.363 -17.920 1.00 1.00 C ATOM 2294 OD1 ASP A 146 8.904 -4.027 -19.118 1.00 1.00 O ATOM 2295 OD2 ASP A 146 7.859 -3.974 -17.186 1.00 1.00 O ATOM 0 H ASP A 146 10.317 -8.232 -16.928 1.00 1.00 H new ATOM 0 HA ASP A 146 9.425 -6.489 -19.082 1.00 1.00 H new ATOM 0 HB2 ASP A 146 9.517 -5.591 -16.321 1.00 1.00 H new ATOM 0 HB3 ASP A 146 10.776 -4.780 -17.231 1.00 1.00 H new ATOM 2300 N THR A 147 11.940 -5.746 -19.401 1.00 1.00 N ATOM 2301 CA THR A 147 13.318 -5.748 -19.897 1.00 1.00 C ATOM 2302 C THR A 147 14.316 -5.622 -18.761 1.00 1.00 C ATOM 2303 O THR A 147 15.310 -6.357 -18.708 1.00 1.00 O ATOM 2304 CB THR A 147 13.524 -4.589 -20.887 1.00 1.00 C ATOM 2305 OG1 THR A 147 14.807 -4.678 -21.497 1.00 1.00 O ATOM 2306 CG2 THR A 147 13.399 -3.228 -20.263 1.00 1.00 C ATOM 0 H THR A 147 11.375 -4.964 -19.731 1.00 1.00 H new ATOM 0 HA THR A 147 13.487 -6.700 -20.401 1.00 1.00 H new ATOM 0 HB THR A 147 12.726 -4.694 -21.622 1.00 1.00 H new ATOM 0 HG1 THR A 147 14.923 -3.935 -22.125 1.00 1.00 H new ATOM 0 HG21 THR A 147 13.557 -2.463 -21.023 1.00 1.00 H new ATOM 0 HG22 THR A 147 12.403 -3.114 -19.835 1.00 1.00 H new ATOM 0 HG23 THR A 147 14.146 -3.118 -19.477 1.00 1.00 H new ATOM 2314 N ASN A 148 14.054 -4.700 -17.838 1.00 1.00 N ATOM 2315 CA ASN A 148 14.946 -4.481 -16.688 1.00 1.00 C ATOM 2316 C ASN A 148 14.566 -5.400 -15.525 1.00 1.00 C ATOM 2317 O ASN A 148 13.397 -5.490 -15.152 1.00 1.00 O ATOM 2318 CB ASN A 148 14.864 -3.015 -16.250 1.00 1.00 C ATOM 2319 CG ASN A 148 16.186 -2.482 -15.709 1.00 1.00 C ATOM 2320 OD1 ASN A 148 17.254 -2.979 -16.068 1.00 1.00 O ATOM 2321 ND2 ASN A 148 16.118 -1.474 -14.849 1.00 1.00 N ATOM 0 H ASN A 148 13.236 -4.091 -17.858 1.00 1.00 H new ATOM 0 HA ASN A 148 15.968 -4.715 -16.986 1.00 1.00 H new ATOM 0 HB2 ASN A 148 14.552 -2.405 -17.098 1.00 1.00 H new ATOM 0 HB3 ASN A 148 14.096 -2.913 -15.483 1.00 1.00 H new ATOM 0 HD21 ASN A 148 16.973 -1.079 -14.457 1.00 1.00 H new ATOM 0 HD22 ASN A 148 15.211 -1.094 -14.580 1.00 1.00 H new ATOM 2328 N PRO A 149 15.542 -6.121 -14.940 1.00 1.00 N ATOM 2329 CA PRO A 149 15.259 -7.036 -13.832 1.00 1.00 C ATOM 2330 C PRO A 149 14.584 -6.330 -12.662 1.00 1.00 C ATOM 2331 O PRO A 149 13.688 -6.879 -12.027 1.00 1.00 O ATOM 2332 CB PRO A 149 16.647 -7.546 -13.399 1.00 1.00 C ATOM 2333 CG PRO A 149 17.626 -6.622 -14.039 1.00 1.00 C ATOM 2334 CD PRO A 149 16.967 -6.115 -15.298 1.00 1.00 C ATOM 0 HA PRO A 149 14.577 -7.829 -14.138 1.00 1.00 H new ATOM 0 HB2 PRO A 149 16.748 -7.535 -12.314 1.00 1.00 H new ATOM 0 HB3 PRO A 149 16.807 -8.574 -13.724 1.00 1.00 H new ATOM 0 HG2 PRO A 149 17.876 -5.797 -13.372 1.00 1.00 H new ATOM 0 HG3 PRO A 149 18.557 -7.140 -14.269 1.00 1.00 H new ATOM 0 HD2 PRO A 149 17.314 -5.116 -15.563 1.00 1.00 H new ATOM 0 HD3 PRO A 149 17.173 -6.761 -16.152 1.00 1.00 H new ATOM 2342 N ALA A 150 15.012 -5.087 -12.408 1.00 1.00 N ATOM 2343 CA ALA A 150 14.447 -4.281 -11.330 1.00 1.00 C ATOM 2344 C ALA A 150 12.972 -3.987 -11.595 1.00 1.00 C ATOM 2345 O ALA A 150 12.154 -3.952 -10.668 1.00 1.00 O ATOM 2346 CB ALA A 150 15.229 -2.977 -11.181 1.00 1.00 C ATOM 0 H ALA A 150 15.749 -4.621 -12.938 1.00 1.00 H new ATOM 0 HA ALA A 150 14.523 -4.845 -10.400 1.00 1.00 H new ATOM 0 HB1 ALA A 150 14.798 -2.385 -10.374 1.00 1.00 H new ATOM 0 HB2 ALA A 150 16.270 -3.202 -10.950 1.00 1.00 H new ATOM 0 HB3 ALA A 150 15.177 -2.413 -12.112 1.00 1.00 H new ATOM 2352 N LEU A 151 12.645 -3.745 -12.866 1.00 1.00 N ATOM 2353 CA LEU A 151 11.281 -3.423 -13.278 1.00 1.00 C ATOM 2354 C LEU A 151 10.329 -4.576 -13.013 1.00 1.00 C ATOM 2355 O LEU A 151 9.172 -4.353 -12.645 1.00 1.00 O ATOM 2356 CB LEU A 151 11.247 -3.061 -14.769 1.00 1.00 C ATOM 2357 CG LEU A 151 11.491 -1.591 -15.084 1.00 1.00 C ATOM 2358 CD1 LEU A 151 11.376 -1.337 -16.577 1.00 1.00 C ATOM 2359 CD2 LEU A 151 10.519 -0.719 -14.316 1.00 1.00 C ATOM 0 H LEU A 151 13.316 -3.767 -13.634 1.00 1.00 H new ATOM 0 HA LEU A 151 10.954 -2.568 -12.686 1.00 1.00 H new ATOM 0 HB2 LEU A 151 11.997 -3.657 -15.289 1.00 1.00 H new ATOM 0 HB3 LEU A 151 10.276 -3.347 -15.174 1.00 1.00 H new ATOM 0 HG LEU A 151 12.504 -1.334 -14.773 1.00 1.00 H new ATOM 0 HD11 LEU A 151 11.554 -0.281 -16.781 1.00 1.00 H new ATOM 0 HD12 LEU A 151 12.115 -1.938 -17.106 1.00 1.00 H new ATOM 0 HD13 LEU A 151 10.377 -1.609 -16.916 1.00 1.00 H new ATOM 0 HD21 LEU A 151 10.706 0.329 -14.551 1.00 1.00 H new ATOM 0 HD22 LEU A 151 9.498 -0.978 -14.597 1.00 1.00 H new ATOM 0 HD23 LEU A 151 10.653 -0.880 -13.246 1.00 1.00 H new ATOM 2371 N THR A 152 10.790 -5.792 -13.223 1.00 1.00 N ATOM 2372 CA THR A 152 9.954 -6.970 -13.013 1.00 1.00 C ATOM 2373 C THR A 152 9.594 -7.110 -11.541 1.00 1.00 C ATOM 2374 O THR A 152 10.435 -6.971 -10.662 1.00 1.00 O ATOM 2375 CB THR A 152 10.691 -8.211 -13.493 1.00 1.00 C ATOM 2376 OG1 THR A 152 10.457 -8.436 -14.872 1.00 1.00 O ATOM 2377 CG2 THR A 152 10.299 -9.469 -12.739 1.00 1.00 C ATOM 0 H THR A 152 11.738 -5.997 -13.539 1.00 1.00 H new ATOM 0 HA THR A 152 9.032 -6.857 -13.583 1.00 1.00 H new ATOM 0 HB THR A 152 11.746 -8.012 -13.306 1.00 1.00 H new ATOM 0 HG1 THR A 152 10.942 -9.238 -15.159 1.00 1.00 H new ATOM 0 HG21 THR A 152 10.861 -10.317 -13.130 1.00 1.00 H new ATOM 0 HG22 THR A 152 10.523 -9.343 -11.680 1.00 1.00 H new ATOM 0 HG23 THR A 152 9.232 -9.651 -12.865 1.00 1.00 H new ATOM 2385 N HIS A 153 8.325 -7.393 -11.285 1.00 1.00 N ATOM 2386 CA HIS A 153 7.844 -7.562 -9.924 1.00 1.00 C ATOM 2387 C HIS A 153 6.658 -8.501 -9.879 1.00 1.00 C ATOM 2388 O HIS A 153 6.048 -8.788 -10.901 1.00 1.00 O ATOM 2389 CB HIS A 153 7.466 -6.205 -9.329 1.00 1.00 C ATOM 2390 CG HIS A 153 6.781 -5.300 -10.301 1.00 1.00 C ATOM 2391 ND1 HIS A 153 7.371 -4.157 -10.799 1.00 1.00 N ATOM 2392 CD2 HIS A 153 5.555 -5.368 -10.871 1.00 1.00 C ATOM 2393 CE1 HIS A 153 6.536 -3.562 -11.633 1.00 1.00 C ATOM 2394 NE2 HIS A 153 5.428 -4.277 -11.695 1.00 1.00 N ATOM 0 H HIS A 153 7.610 -7.510 -12.003 1.00 1.00 H new ATOM 0 HA HIS A 153 8.646 -8.001 -9.331 1.00 1.00 H new ATOM 0 HB2 HIS A 153 6.814 -6.362 -8.469 1.00 1.00 H new ATOM 0 HB3 HIS A 153 8.367 -5.715 -8.960 1.00 1.00 H new ATOM 0 HD1 HIS A 153 8.305 -3.823 -10.561 1.00 1.00 H new ATOM 0 HD2 HIS A 153 4.815 -6.137 -10.708 1.00 1.00 H new ATOM 0 HE1 HIS A 153 6.728 -2.646 -12.172 1.00 1.00 H new ATOM 2403 N THR A 154 6.339 -8.989 -8.679 1.00 1.00 N ATOM 2404 CA THR A 154 5.219 -9.902 -8.496 1.00 1.00 C ATOM 2405 C THR A 154 4.186 -9.280 -7.558 1.00 1.00 C ATOM 2406 O THR A 154 4.517 -8.851 -6.454 1.00 1.00 O ATOM 2407 CB THR A 154 5.708 -11.242 -7.923 1.00 1.00 C ATOM 2408 OG1 THR A 154 6.983 -11.107 -7.342 1.00 1.00 O ATOM 2409 CG2 THR A 154 5.792 -12.338 -8.949 1.00 1.00 C ATOM 0 H THR A 154 6.843 -8.765 -7.821 1.00 1.00 H new ATOM 0 HA THR A 154 4.756 -10.085 -9.466 1.00 1.00 H new ATOM 0 HB THR A 154 4.962 -11.519 -7.178 1.00 1.00 H new ATOM 0 HG1 THR A 154 7.272 -11.972 -6.983 1.00 1.00 H new ATOM 0 HG21 THR A 154 6.144 -13.254 -8.475 1.00 1.00 H new ATOM 0 HG22 THR A 154 4.806 -12.509 -9.381 1.00 1.00 H new ATOM 0 HG23 THR A 154 6.487 -12.047 -9.736 1.00 1.00 H new ATOM 2417 N TYR A 155 2.922 -9.270 -7.994 1.00 1.00 N ATOM 2418 CA TYR A 155 1.838 -8.725 -7.182 1.00 1.00 C ATOM 2419 C TYR A 155 1.005 -9.846 -6.589 1.00 1.00 C ATOM 2420 O TYR A 155 0.574 -10.754 -7.299 1.00 1.00 O ATOM 2421 CB TYR A 155 0.943 -7.807 -8.034 1.00 1.00 C ATOM 2422 CG TYR A 155 1.010 -6.348 -7.627 1.00 1.00 C ATOM 2423 CD1 TYR A 155 2.125 -5.577 -7.929 1.00 1.00 C ATOM 2424 CD2 TYR A 155 -0.037 -5.750 -6.939 1.00 1.00 C ATOM 2425 CE1 TYR A 155 2.194 -4.247 -7.555 1.00 1.00 C ATOM 2426 CE2 TYR A 155 0.023 -4.421 -6.562 1.00 1.00 C ATOM 2427 CZ TYR A 155 1.141 -3.674 -6.873 1.00 1.00 C ATOM 2428 OH TYR A 155 1.201 -2.354 -6.498 1.00 1.00 O ATOM 0 H TYR A 155 2.629 -9.632 -8.901 1.00 1.00 H new ATOM 0 HA TYR A 155 2.276 -8.143 -6.371 1.00 1.00 H new ATOM 0 HB2 TYR A 155 1.235 -7.898 -9.080 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -0.089 -8.149 -7.960 1.00 1.00 H new ATOM 0 HD1 TYR A 155 2.951 -6.023 -8.464 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -0.913 -6.332 -6.694 1.00 1.00 H new ATOM 0 HE1 TYR A 155 3.068 -3.660 -7.796 1.00 1.00 H new ATOM 0 HE2 TYR A 155 -0.800 -3.970 -6.027 1.00 1.00 H new ATOM 0 HH TYR A 155 2.019 -1.949 -6.855 1.00 1.00 H new ATOM 2438 N GLU A 156 0.800 -9.793 -5.275 1.00 1.00 N ATOM 2439 CA GLU A 156 0.027 -10.826 -4.594 1.00 1.00 C ATOM 2440 C GLU A 156 -0.963 -10.229 -3.587 1.00 1.00 C ATOM 2441 O GLU A 156 -0.680 -9.213 -2.953 1.00 1.00 O ATOM 2442 CB GLU A 156 0.964 -11.809 -3.881 1.00 1.00 C ATOM 2443 CG GLU A 156 2.254 -12.072 -4.623 1.00 1.00 C ATOM 2444 CD GLU A 156 2.887 -13.390 -4.227 1.00 1.00 C ATOM 2445 OE1 GLU A 156 2.880 -13.709 -3.020 1.00 1.00 O ATOM 2446 OE2 GLU A 156 3.413 -14.090 -5.118 1.00 1.00 O ATOM 0 H GLU A 156 1.154 -9.054 -4.667 1.00 1.00 H new ATOM 0 HA GLU A 156 -0.547 -11.356 -5.354 1.00 1.00 H new ATOM 0 HB2 GLU A 156 1.199 -11.419 -2.891 1.00 1.00 H new ATOM 0 HB3 GLU A 156 0.441 -12.754 -3.735 1.00 1.00 H new ATOM 0 HG2 GLU A 156 2.060 -12.073 -5.696 1.00 1.00 H new ATOM 0 HG3 GLU A 156 2.955 -11.261 -4.426 1.00 1.00 H new ATOM 2453 N VAL A 157 -2.105 -10.888 -3.423 1.00 1.00 N ATOM 2454 CA VAL A 157 -3.119 -10.450 -2.481 1.00 1.00 C ATOM 2455 C VAL A 157 -3.327 -11.525 -1.405 1.00 1.00 C ATOM 2456 O VAL A 157 -3.508 -12.708 -1.719 1.00 1.00 O ATOM 2457 CB VAL A 157 -4.459 -10.147 -3.187 1.00 1.00 C ATOM 2458 CG1 VAL A 157 -5.512 -9.680 -2.182 1.00 1.00 C ATOM 2459 CG2 VAL A 157 -4.259 -9.100 -4.284 1.00 1.00 C ATOM 0 H VAL A 157 -2.349 -11.734 -3.937 1.00 1.00 H new ATOM 0 HA VAL A 157 -2.770 -9.527 -2.017 1.00 1.00 H new ATOM 0 HB VAL A 157 -4.818 -11.067 -3.648 1.00 1.00 H new ATOM 0 HG11 VAL A 157 -6.446 -9.473 -2.704 1.00 1.00 H new ATOM 0 HG12 VAL A 157 -5.677 -10.460 -1.439 1.00 1.00 H new ATOM 0 HG13 VAL A 157 -5.165 -8.774 -1.686 1.00 1.00 H new ATOM 0 HG21 VAL A 157 -5.212 -8.898 -4.772 1.00 1.00 H new ATOM 0 HG22 VAL A 157 -3.874 -8.180 -3.843 1.00 1.00 H new ATOM 0 HG23 VAL A 157 -3.547 -9.475 -5.020 1.00 1.00 H new ATOM 2469 N TRP A 158 -3.265 -11.119 -0.147 1.00 1.00 N ATOM 2470 CA TRP A 158 -3.401 -12.044 0.972 1.00 1.00 C ATOM 2471 C TRP A 158 -4.663 -11.792 1.788 1.00 1.00 C ATOM 2472 O TRP A 158 -5.066 -10.645 2.026 1.00 1.00 O ATOM 2473 CB TRP A 158 -2.170 -11.971 1.873 1.00 1.00 C ATOM 2474 CG TRP A 158 -0.906 -12.412 1.197 1.00 1.00 C ATOM 2475 CD1 TRP A 158 -0.282 -11.805 0.145 1.00 1.00 C ATOM 2476 CD2 TRP A 158 -0.110 -13.555 1.531 1.00 1.00 C ATOM 2477 NE1 TRP A 158 0.852 -12.502 -0.197 1.00 1.00 N ATOM 2478 CE2 TRP A 158 0.980 -13.580 0.639 1.00 1.00 C ATOM 2479 CE3 TRP A 158 -0.212 -14.560 2.497 1.00 1.00 C ATOM 2480 CZ2 TRP A 158 1.958 -14.570 0.687 1.00 1.00 C ATOM 2481 CZ3 TRP A 158 0.760 -15.542 2.543 1.00 1.00 C ATOM 2482 CH2 TRP A 158 1.832 -15.541 1.642 1.00 1.00 C ATOM 0 H TRP A 158 -3.120 -10.148 0.128 1.00 1.00 H new ATOM 0 HA TRP A 158 -3.485 -13.045 0.549 1.00 1.00 H new ATOM 0 HB2 TRP A 158 -2.047 -10.946 2.224 1.00 1.00 H new ATOM 0 HB3 TRP A 158 -2.337 -12.591 2.754 1.00 1.00 H new ATOM 0 HD1 TRP A 158 -0.629 -10.908 -0.347 1.00 1.00 H new ATOM 0 HE1 TRP A 158 1.494 -12.257 -0.951 1.00 1.00 H new ATOM 0 HE3 TRP A 158 -1.036 -14.569 3.195 1.00 1.00 H new ATOM 0 HZ2 TRP A 158 2.787 -14.571 -0.005 1.00 1.00 H new ATOM 0 HZ3 TRP A 158 0.691 -16.323 3.286 1.00 1.00 H new ATOM 0 HH2 TRP A 158 2.574 -16.323 1.702 1.00 1.00 H new ATOM 2493 N GLN A 159 -5.272 -12.880 2.259 1.00 1.00 N ATOM 2494 CA GLN A 159 -6.467 -12.807 3.088 1.00 1.00 C ATOM 2495 C GLN A 159 -6.379 -13.877 4.181 1.00 1.00 C ATOM 2496 O GLN A 159 -5.691 -14.885 4.017 1.00 1.00 O ATOM 2497 CB GLN A 159 -7.733 -13.002 2.253 1.00 1.00 C ATOM 2498 CG GLN A 159 -8.042 -11.849 1.312 1.00 1.00 C ATOM 2499 CD GLN A 159 -9.525 -11.506 1.251 1.00 1.00 C ATOM 2500 OE1 GLN A 159 -10.140 -11.215 2.276 1.00 1.00 O ATOM 2501 NE2 GLN A 159 -10.103 -11.546 0.056 1.00 1.00 N ATOM 0 H GLN A 159 -4.950 -13.830 2.076 1.00 1.00 H new ATOM 0 HA GLN A 159 -6.524 -11.818 3.542 1.00 1.00 H new ATOM 0 HB2 GLN A 159 -7.632 -13.916 1.668 1.00 1.00 H new ATOM 0 HB3 GLN A 159 -8.579 -13.145 2.925 1.00 1.00 H new ATOM 0 HG2 GLN A 159 -7.485 -10.968 1.631 1.00 1.00 H new ATOM 0 HG3 GLN A 159 -7.693 -12.102 0.311 1.00 1.00 H new ATOM 0 HE21 GLN A 159 -9.554 -11.792 -0.768 1.00 1.00 H new ATOM 0 HE22 GLN A 159 -11.095 -11.330 -0.038 1.00 1.00 H new ATOM 2510 N LYS A 160 -7.072 -13.654 5.294 1.00 1.00 N ATOM 2511 CA LYS A 160 -7.051 -14.599 6.411 1.00 1.00 C ATOM 2512 C LYS A 160 -7.704 -15.923 6.015 1.00 1.00 C ATOM 2513 O LYS A 160 -8.764 -15.916 5.403 1.00 1.00 O ATOM 2514 CB LYS A 160 -7.774 -14.028 7.625 1.00 1.00 C ATOM 2515 CG LYS A 160 -7.646 -14.889 8.872 1.00 1.00 C ATOM 2516 CD LYS A 160 -6.294 -14.688 9.548 1.00 1.00 C ATOM 2517 CE LYS A 160 -6.266 -15.298 10.935 1.00 1.00 C ATOM 2518 NZ LYS A 160 -5.078 -16.176 11.124 1.00 1.00 N ATOM 0 H LYS A 160 -7.654 -12.831 5.448 1.00 1.00 H new ATOM 0 HA LYS A 160 -6.007 -14.775 6.669 1.00 1.00 H new ATOM 0 HB2 LYS A 160 -7.380 -13.034 7.838 1.00 1.00 H new ATOM 0 HB3 LYS A 160 -8.830 -13.907 7.384 1.00 1.00 H new ATOM 0 HG2 LYS A 160 -8.445 -14.641 9.571 1.00 1.00 H new ATOM 0 HG3 LYS A 160 -7.769 -15.939 8.606 1.00 1.00 H new ATOM 0 HD2 LYS A 160 -5.511 -15.137 8.937 1.00 1.00 H new ATOM 0 HD3 LYS A 160 -6.075 -13.622 9.614 1.00 1.00 H new ATOM 0 HE2 LYS A 160 -6.255 -14.504 11.682 1.00 1.00 H new ATOM 0 HE3 LYS A 160 -7.176 -15.876 11.097 1.00 1.00 H new ATOM 0 HZ1 LYS A 160 -5.390 -17.161 11.242 1.00 1.00 H new ATOM 0 HZ2 LYS A 160 -4.459 -16.106 10.292 1.00 1.00 H new ATOM 0 HZ3 LYS A 160 -4.555 -15.875 11.971 1.00 1.00 H new ATOM 2532 N LYS A 161 -7.081 -17.038 6.365 1.00 1.00 N ATOM 2533 CA LYS A 161 -7.628 -18.347 6.024 1.00 1.00 C ATOM 2534 C LYS A 161 -8.923 -18.630 6.780 1.00 1.00 C ATOM 2535 O LYS A 161 -9.022 -18.402 7.982 1.00 1.00 O ATOM 2536 CB LYS A 161 -6.600 -19.441 6.327 1.00 1.00 C ATOM 2537 CG LYS A 161 -6.339 -19.649 7.818 1.00 1.00 C ATOM 2538 CD LYS A 161 -6.898 -20.984 8.306 1.00 1.00 C ATOM 2539 CE LYS A 161 -6.421 -21.311 9.712 1.00 1.00 C ATOM 2540 NZ LYS A 161 -7.555 -21.318 10.689 1.00 1.00 N ATOM 0 H LYS A 161 -6.202 -17.066 6.882 1.00 1.00 H new ATOM 0 HA LYS A 161 -7.855 -18.344 4.958 1.00 1.00 H new ATOM 0 HB2 LYS A 161 -6.945 -20.380 5.894 1.00 1.00 H new ATOM 0 HB3 LYS A 161 -5.660 -19.189 5.835 1.00 1.00 H new ATOM 0 HG2 LYS A 161 -5.266 -19.611 8.009 1.00 1.00 H new ATOM 0 HG3 LYS A 161 -6.792 -18.835 8.384 1.00 1.00 H new ATOM 0 HD2 LYS A 161 -7.987 -20.951 8.289 1.00 1.00 H new ATOM 0 HD3 LYS A 161 -6.593 -21.778 7.624 1.00 1.00 H new ATOM 0 HE2 LYS A 161 -5.932 -22.285 9.714 1.00 1.00 H new ATOM 0 HE3 LYS A 161 -5.676 -20.579 10.024 1.00 1.00 H new ATOM 0 HZ1 LYS A 161 -7.194 -21.544 11.638 1.00 1.00 H new ATOM 0 HZ2 LYS A 161 -8.006 -20.381 10.704 1.00 1.00 H new ATOM 0 HZ3 LYS A 161 -8.254 -22.034 10.404 1.00 1.00 H new ATOM 2554 N ALA A 162 -9.908 -19.148 6.057 1.00 1.00 N ATOM 2555 CA ALA A 162 -11.198 -19.467 6.655 1.00 1.00 C ATOM 2556 C ALA A 162 -11.272 -20.923 7.073 1.00 1.00 C ATOM 2557 O ALA A 162 -10.449 -21.719 6.562 1.00 1.00 O ATOM 2558 CB ALA A 162 -12.330 -19.110 5.702 1.00 1.00 C ATOM 2559 OXT ALA A 162 -12.132 -21.264 7.904 1.00 1.00 O ATOM 0 H ALA A 162 -9.839 -19.355 5.061 1.00 1.00 H new ATOM 0 HA ALA A 162 -11.308 -18.866 7.558 1.00 1.00 H new ATOM 0 HB1 ALA A 162 -13.286 -19.355 6.165 1.00 1.00 H new ATOM 0 HB2 ALA A 162 -12.297 -18.043 5.481 1.00 1.00 H new ATOM 0 HB3 ALA A 162 -12.219 -19.676 4.777 1.00 1.00 H new TER 2565 ALA A 162 HETATM 2566 PA NDP A 170 4.286 6.216 12.215 1.00 1.00 P HETATM 2567 O1A NDP A 170 4.864 6.115 13.575 1.00 1.00 O HETATM 2568 O2A NDP A 170 3.394 5.132 11.773 1.00 1.00 O HETATM 2569 O5B NDP A 170 3.611 7.636 11.962 1.00 1.00 O HETATM 2570 C5B NDP A 170 2.280 7.739 11.415 1.00 1.00 C HETATM 2571 C4B NDP A 170 1.669 9.075 11.768 1.00 1.00 C HETATM 2572 O4B NDP A 170 0.222 8.973 11.707 1.00 1.00 O HETATM 2573 C3B NDP A 170 1.994 9.576 13.168 1.00 1.00 C HETATM 2574 O3B NDP A 170 3.122 10.440 13.153 1.00 1.00 O HETATM 2575 C2B NDP A 170 0.747 10.368 13.534 1.00 1.00 C HETATM 2576 O2B NDP A 170 0.754 11.683 12.999 1.00 1.00 O HETATM 2577 C1B NDP A 170 -0.350 9.522 12.880 1.00 1.00 C HETATM 2578 N9A NDP A 170 -0.819 8.421 13.718 1.00 1.00 N HETATM 2579 C8A NDP A 170 -0.170 7.247 14.006 1.00 1.00 C HETATM 2580 N7A NDP A 170 -0.854 6.440 14.781 1.00 1.00 N HETATM 2581 C5A NDP A 170 -2.032 7.134 15.029 1.00 1.00 C HETATM 2582 C6A NDP A 170 -3.150 6.849 15.833 1.00 1.00 C HETATM 2583 N6A NDP A 170 -3.291 5.725 16.530 1.00 1.00 N HETATM 2584 N1A NDP A 170 -4.127 7.778 15.901 1.00 1.00 N HETATM 2585 C2A NDP A 170 -3.976 8.928 15.215 1.00 1.00 C HETATM 2586 N3A NDP A 170 -2.974 9.308 14.432 1.00 1.00 N HETATM 2587 C4A NDP A 170 -2.023 8.353 14.380 1.00 1.00 C HETATM 2588 O3 NDP A 170 5.517 6.355 11.130 1.00 1.00 O HETATM 2589 PN NDP A 170 7.050 5.766 11.025 1.00 1.00 P HETATM 2590 O1N NDP A 170 7.924 6.558 11.917 1.00 1.00 O HETATM 2591 O2N NDP A 170 6.992 4.309 11.250 1.00 1.00 O HETATM 2592 O5D NDP A 170 7.312 6.113 9.494 1.00 1.00 O HETATM 2593 C5D NDP A 170 6.593 5.427 8.447 1.00 1.00 C HETATM 2594 C4D NDP A 170 7.388 5.444 7.163 1.00 1.00 C HETATM 2595 O4D NDP A 170 7.673 4.068 6.796 1.00 1.00 O HETATM 2596 C3D NDP A 170 6.661 6.030 5.966 1.00 1.00 C HETATM 2597 O3D NDP A 170 6.903 7.432 5.866 1.00 1.00 O HETATM 2598 C2D NDP A 170 7.276 5.275 4.792 1.00 1.00 C HETATM 2599 O2D NDP A 170 8.510 5.845 4.316 1.00 1.00 O HETATM 2600 C1D NDP A 170 7.511 3.894 5.402 1.00 1.00 C HETATM 2601 N1N NDP A 170 6.408 2.956 5.181 1.00 1.00 N HETATM 2602 C2N NDP A 170 6.403 1.757 4.608 1.00 1.00 C HETATM 2603 C3N NDP A 170 5.392 0.965 4.464 1.00 1.00 C HETATM 2604 C7N NDP A 170 5.804 -0.225 3.778 1.00 1.00 C HETATM 2605 O7N NDP A 170 5.567 -1.184 4.641 1.00 1.00 O HETATM 2606 N7N NDP A 170 6.347 -0.399 2.553 1.00 1.00 N HETATM 2607 C4N NDP A 170 4.069 1.419 4.986 1.00 1.00 C HETATM 2608 C5N NDP A 170 3.997 2.709 5.620 1.00 1.00 C HETATM 2609 C6N NDP A 170 5.094 3.528 5.758 1.00 1.00 C HETATM 2610 P2B NDP A 170 1.243 13.103 13.745 1.00 1.00 P HETATM 2611 O1X NDP A 170 2.468 13.404 12.806 1.00 1.00 O HETATM 2612 O2X NDP A 170 0.082 14.017 13.372 1.00 1.00 O HETATM 2613 O3X NDP A 170 1.739 12.539 15.079 1.00 1.00 O HETATM 0 HO3N NDP A 170 7.685 7.589 5.297 1.00 1.00 H new HETATM 0 HO3A NDP A 170 3.309 10.749 14.064 1.00 1.00 H new HETATM 0 HO2N NDP A 170 8.849 5.312 3.566 1.00 1.00 H new HETATM 0 H72N NDP A 170 6.580 -1.337 2.227 1.00 1.00 H new HETATM 0 H71N NDP A 170 6.524 0.408 1.954 1.00 1.00 H new HETATM 0 H62A NDP A 170 -4.127 5.577 17.096 1.00 1.00 H new HETATM 0 H61A NDP A 170 -2.563 5.011 16.499 1.00 1.00 H new HETATM 0 H52N NDP A 170 6.396 4.398 8.747 1.00 1.00 H new HETATM 0 H52A NDP A 170 2.315 7.622 10.332 1.00 1.00 H new HETATM 0 H51N NDP A 170 5.625 5.904 8.289 1.00 1.00 H new HETATM 0 H51A NDP A 170 1.657 6.933 11.803 1.00 1.00 H new HETATM 0 H42N NDP A 170 3.364 1.416 4.155 1.00 1.00 H new HETATM 0 H41N NDP A 170 3.720 0.675 5.703 1.00 1.00 H new HETATM 0 H8A NDP A 170 0.823 7.007 13.626 1.00 1.00 H new HETATM 0 H6N NDP A 170 5.040 4.505 6.238 1.00 1.00 H new HETATM 0 H5N NDP A 170 3.036 3.050 6.006 1.00 1.00 H new HETATM 0 H4D NDP A 170 8.262 6.062 7.369 1.00 1.00 H new HETATM 0 H4B NDP A 170 2.093 9.775 11.047 1.00 1.00 H new HETATM 0 H3D NDP A 170 5.577 5.925 6.019 1.00 1.00 H new HETATM 0 H3B NDP A 170 2.235 8.771 13.863 1.00 1.00 H new HETATM 0 H2N NDP A 170 7.356 1.403 4.216 1.00 1.00 H new HETATM 0 H2D NDP A 170 6.637 5.289 3.909 1.00 1.00 H new HETATM 0 H2B NDP A 170 0.636 10.519 14.608 1.00 1.00 H new HETATM 0 H2A NDP A 170 -4.790 9.646 15.317 1.00 1.00 H new HETATM 0 H1D NDP A 170 8.389 3.466 4.919 1.00 1.00 H new HETATM 0 H1B NDP A 170 -1.214 10.159 12.694 1.00 1.00 H new