USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1073 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot 150:sc= -1.02 USER MOD Set 1.2: A 47 THR OG1 : rot 46:sc= 0.951 USER MOD Set 1.3: A 50 ASN :FLIP amide:sc= 0.513 F(o=-3.6!,f=0.44) USER MOD Set 2.1: A 42 THR OG1 : rot -99:sc= 0.0829 USER MOD Set 2.2: A 82 HIS : no HD1:sc= -2.02 X(o=-2.1,f=-2!) USER MOD Set 2.3: A 132 THR OG1 : rot 46:sc= -0.181 USER MOD Set 3.1: A 31 ASN : amide:sc= -1.07! K(o=0.019!,f=-0.89) USER MOD Set 3.2: A 33 TYR OH : rot -107:sc= -0.345 USER MOD Set 3.3: A 98 TYR OH : rot 177:sc= 1.43 USER MOD Single : A 1 ARG N :NH3+ -132:sc= -1.73 (180deg=-3.97!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0546 USER MOD Single : A 9 GLN :FLIP amide:sc= -3.31 F(o=-8!,f=-3.3) USER MOD Single : A 14 GLN : amide:sc= -9.04! C(o=-9!,f=-11!) USER MOD Single : A 15 HIS :FLIP no HE2:sc= -0.444 F(o=-3.8!,f=-0.44) USER MOD Single : A 17 SER OG : rot -16:sc= 0.0818 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.714 F(o=-2.5,f=-0.71) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -112:sc= -0.197 (180deg=-1.72) USER MOD Single : A 32 ASN : amide:sc= -0.0888 K(o=-0.089,f=-1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.0253 X(o=-0.025,f=-0.36) USER MOD Single : A 40 GLN : amide:sc= -0.065 K(o=-0.065,f=-1.3) USER MOD Single : A 41 ASN :FLIP amide:sc= -6.32! C(o=-11!,f=-6.3!) USER MOD Single : A 53 ASN : amide:sc= -0.559 X(o=-0.56,f=-0.14) USER MOD Single : A 57 ASN : amide:sc= -0.856 K(o=-0.86,f=-1.9) USER MOD Single : A 58 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -3.37! C(o=-3.4!,f=-4.3!) USER MOD Single : A 65 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.36) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0348 X(o=-0.035,f=0.033) USER MOD Single : A 70 ASN : amide:sc= -0.19 K(o=-0.19,f=-0.9) USER MOD Single : A 72 HIS : no HE2:sc= -9.77! C(o=-9.8!,f=-12!) USER MOD Single : A 74 SER OG : rot 105:sc= -1.6 USER MOD Single : A 87 ASN : amide:sc= -12.7! C(o=-13!,f=-13!) USER MOD Single : A 91 GLN : amide:sc=-0.00176 X(o=-0.0018,f=0) USER MOD Single : A 92 ASN :FLIP amide:sc= -1.28 F(o=-2.4,f=-1.3) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 107 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 113 ASN : amide:sc=-0.00348 X(o=-0.0035,f=-0.25) USER MOD Single : A 119 SER OG : rot 20:sc= -0.588 USER MOD Single : A 122 TYR OH : rot 165:sc= -0.201 USER MOD Single : A 128 HIS : no HE2:sc= -2.95! X(o=-2.9!,f=-3.1) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.145 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.544 -9.537 -0.245 1.00 63.14 N ATOM 2 CA ARG A 1 7.602 -9.285 -1.217 1.00 23.35 C ATOM 3 C ARG A 1 8.166 -10.596 -1.759 1.00 31.42 C ATOM 4 O ARG A 1 9.344 -10.911 -1.586 1.00 60.55 O ATOM 5 CB ARG A 1 8.722 -8.461 -0.581 1.00 1.32 C ATOM 6 CG ARG A 1 8.220 -7.302 0.264 1.00 12.24 C ATOM 7 CD ARG A 1 9.369 -6.460 0.795 1.00 54.54 C ATOM 8 NE ARG A 1 8.908 -5.413 1.703 1.00 1.41 N ATOM 9 CZ ARG A 1 9.725 -4.660 2.432 1.00 71.22 C ATOM 10 NH1 ARG A 1 11.037 -4.837 2.358 1.00 14.51 N ATOM 11 NH2 ARG A 1 9.229 -3.728 3.237 1.00 72.41 N ATOM 0 H1 ARG A 1 5.720 -8.942 -0.467 1.00 63.14 H new ATOM 0 H2 ARG A 1 6.268 -10.539 -0.284 1.00 63.14 H new ATOM 0 H3 ARG A 1 6.888 -9.310 0.710 1.00 63.14 H new ATOM 0 HA ARG A 1 7.172 -8.723 -2.046 1.00 23.35 H new ATOM 0 HB2 ARG A 1 9.334 -9.114 0.040 1.00 1.32 H new ATOM 0 HB3 ARG A 1 9.368 -8.073 -1.368 1.00 1.32 H new ATOM 0 HG2 ARG A 1 7.555 -6.677 -0.332 1.00 12.24 H new ATOM 0 HG3 ARG A 1 7.633 -7.686 1.098 1.00 12.24 H new ATOM 0 HD2 ARG A 1 10.079 -7.103 1.315 1.00 54.54 H new ATOM 0 HD3 ARG A 1 9.902 -6.006 -0.041 1.00 54.54 H new ATOM 0 HE ARG A 1 7.904 -5.251 1.782 1.00 1.41 H new ATOM 0 HH11 ARG A 1 11.421 -5.552 1.741 1.00 14.51 H new ATOM 0 HH12 ARG A 1 11.662 -4.258 2.918 1.00 14.51 H new ATOM 0 HH21 ARG A 1 8.220 -3.590 3.296 1.00 72.41 H new ATOM 0 HH22 ARG A 1 9.857 -3.150 3.796 1.00 72.41 H new ATOM 25 N PRO A 2 7.307 -11.378 -2.428 1.00 71.13 N ATOM 26 CA PRO A 2 7.696 -12.666 -3.009 1.00 24.35 C ATOM 27 C PRO A 2 8.632 -12.506 -4.202 1.00 51.11 C ATOM 28 O PRO A 2 8.845 -11.405 -4.711 1.00 32.14 O ATOM 29 CB PRO A 2 6.363 -13.273 -3.453 1.00 62.11 C ATOM 30 CG PRO A 2 5.469 -12.103 -3.675 1.00 62.14 C ATOM 31 CD PRO A 2 5.889 -11.065 -2.672 1.00 13.23 C ATOM 0 HA PRO A 2 8.245 -13.283 -2.298 1.00 24.35 H new ATOM 0 HB2 PRO A 2 6.479 -13.861 -4.364 1.00 62.11 H new ATOM 0 HB3 PRO A 2 5.959 -13.941 -2.692 1.00 62.11 H new ATOM 0 HG2 PRO A 2 5.567 -11.725 -4.693 1.00 62.14 H new ATOM 0 HG3 PRO A 2 4.424 -12.379 -3.537 1.00 62.14 H new ATOM 0 HD2 PRO A 2 5.762 -10.055 -3.062 1.00 13.23 H new ATOM 0 HD3 PRO A 2 5.300 -11.130 -1.757 1.00 13.23 H new ATOM 39 N PRO A 3 9.205 -13.628 -4.661 1.00 5.43 N ATOM 40 CA PRO A 3 10.128 -13.637 -5.801 1.00 12.22 C ATOM 41 C PRO A 3 9.421 -13.342 -7.119 1.00 63.24 C ATOM 42 O PRO A 3 10.049 -13.318 -8.177 1.00 25.51 O ATOM 43 CB PRO A 3 10.681 -15.064 -5.798 1.00 44.30 C ATOM 44 CG PRO A 3 9.629 -15.878 -5.126 1.00 43.33 C ATOM 45 CD PRO A 3 8.998 -14.975 -4.102 1.00 51.14 C ATOM 0 HA PRO A 3 10.896 -12.868 -5.711 1.00 12.22 H new ATOM 0 HB2 PRO A 3 10.868 -15.418 -6.812 1.00 44.30 H new ATOM 0 HB3 PRO A 3 11.628 -15.120 -5.261 1.00 44.30 H new ATOM 0 HG2 PRO A 3 8.889 -16.230 -5.845 1.00 43.33 H new ATOM 0 HG3 PRO A 3 10.060 -16.761 -4.655 1.00 43.33 H new ATOM 0 HD2 PRO A 3 7.939 -15.196 -3.969 1.00 51.14 H new ATOM 0 HD3 PRO A 3 9.471 -15.082 -3.126 1.00 51.14 H new ATOM 53 N GLN A 4 8.113 -13.118 -7.048 1.00 4.44 N ATOM 54 CA GLN A 4 7.324 -12.825 -8.238 1.00 55.42 C ATOM 55 C GLN A 4 7.145 -11.321 -8.416 1.00 44.33 C ATOM 56 O GLN A 4 7.044 -10.826 -9.539 1.00 35.21 O ATOM 57 CB GLN A 4 5.956 -13.504 -8.148 1.00 22.54 C ATOM 58 CG GLN A 4 6.026 -15.022 -8.204 1.00 43.11 C ATOM 59 CD GLN A 4 4.716 -15.682 -7.823 1.00 12.33 C ATOM 60 OE1 GLN A 4 3.817 -15.829 -8.651 1.00 62.13 O ATOM 61 NE2 GLN A 4 4.600 -16.085 -6.562 1.00 40.13 N ATOM 0 H GLN A 4 7.578 -13.134 -6.180 1.00 4.44 H new ATOM 0 HA GLN A 4 7.860 -13.214 -9.103 1.00 55.42 H new ATOM 0 HB2 GLN A 4 5.471 -13.205 -7.219 1.00 22.54 H new ATOM 0 HB3 GLN A 4 5.328 -13.147 -8.964 1.00 22.54 H new ATOM 0 HG2 GLN A 4 6.305 -15.332 -9.211 1.00 43.11 H new ATOM 0 HG3 GLN A 4 6.812 -15.370 -7.534 1.00 43.11 H new ATOM 0 HE21 GLN A 4 5.370 -15.943 -5.908 1.00 40.13 H new ATOM 0 HE22 GLN A 4 3.741 -16.536 -6.248 1.00 40.13 H new ATOM 70 N PHE A 5 7.109 -10.598 -7.302 1.00 34.52 N ATOM 71 CA PHE A 5 6.941 -9.150 -7.335 1.00 75.35 C ATOM 72 C PHE A 5 8.010 -8.459 -6.494 1.00 4.51 C ATOM 73 O PHE A 5 8.337 -8.907 -5.393 1.00 43.15 O ATOM 74 CB PHE A 5 5.549 -8.764 -6.829 1.00 3.34 C ATOM 75 CG PHE A 5 4.446 -9.599 -7.413 1.00 2.24 C ATOM 76 CD1 PHE A 5 4.026 -9.401 -8.718 1.00 40.33 C ATOM 77 CD2 PHE A 5 3.830 -10.583 -6.656 1.00 60.33 C ATOM 78 CE1 PHE A 5 3.010 -10.167 -9.257 1.00 23.10 C ATOM 79 CE2 PHE A 5 2.814 -11.353 -7.190 1.00 3.10 C ATOM 80 CZ PHE A 5 2.405 -11.145 -8.493 1.00 32.22 C ATOM 0 H PHE A 5 7.194 -10.991 -6.365 1.00 34.52 H new ATOM 0 HA PHE A 5 7.048 -8.821 -8.369 1.00 75.35 H new ATOM 0 HB2 PHE A 5 5.527 -8.856 -5.743 1.00 3.34 H new ATOM 0 HB3 PHE A 5 5.364 -7.716 -7.064 1.00 3.34 H new ATOM 0 HD1 PHE A 5 4.498 -8.639 -9.321 1.00 40.33 H new ATOM 0 HD2 PHE A 5 4.147 -10.750 -5.637 1.00 60.33 H new ATOM 0 HE1 PHE A 5 2.690 -10.001 -10.275 1.00 23.10 H new ATOM 0 HE2 PHE A 5 2.341 -12.116 -6.590 1.00 3.10 H new ATOM 0 HZ PHE A 5 1.613 -11.747 -8.914 1.00 32.22 H new ATOM 90 N THR A 6 8.554 -7.366 -7.020 1.00 11.45 N ATOM 91 CA THR A 6 9.587 -6.613 -6.319 1.00 21.12 C ATOM 92 C THR A 6 9.031 -5.953 -5.062 1.00 62.51 C ATOM 93 O THR A 6 7.876 -6.170 -4.696 1.00 15.31 O ATOM 94 CB THR A 6 10.204 -5.529 -7.223 1.00 24.40 C ATOM 95 OG1 THR A 6 9.236 -5.077 -8.175 1.00 72.45 O ATOM 96 CG2 THR A 6 11.427 -6.065 -7.952 1.00 21.41 C ATOM 0 H THR A 6 8.296 -6.982 -7.929 1.00 11.45 H new ATOM 0 HA THR A 6 10.362 -7.327 -6.039 1.00 21.12 H new ATOM 0 HB THR A 6 10.512 -4.694 -6.594 1.00 24.40 H new ATOM 0 HG1 THR A 6 9.635 -4.387 -8.745 1.00 72.45 H new ATOM 0 HG21 THR A 6 11.846 -5.282 -8.584 1.00 21.41 H new ATOM 0 HG22 THR A 6 12.174 -6.382 -7.225 1.00 21.41 H new ATOM 0 HG23 THR A 6 11.139 -6.915 -8.570 1.00 21.41 H new ATOM 104 N ARG A 7 9.859 -5.148 -4.406 1.00 22.34 N ATOM 105 CA ARG A 7 9.449 -4.457 -3.189 1.00 64.30 C ATOM 106 C ARG A 7 8.496 -3.310 -3.511 1.00 24.33 C ATOM 107 O ARG A 7 7.674 -2.923 -2.681 1.00 41.41 O ATOM 108 CB ARG A 7 10.674 -3.923 -2.444 1.00 41.21 C ATOM 109 CG ARG A 7 11.615 -5.013 -1.959 1.00 43.51 C ATOM 110 CD ARG A 7 12.435 -4.550 -0.764 1.00 63.44 C ATOM 111 NE ARG A 7 13.527 -3.664 -1.160 1.00 51.32 N ATOM 112 CZ ARG A 7 14.676 -4.095 -1.669 1.00 12.32 C ATOM 113 NH1 ARG A 7 14.882 -5.392 -1.844 1.00 3.14 N ATOM 114 NH2 ARG A 7 15.621 -3.226 -2.004 1.00 22.30 N ATOM 0 H ARG A 7 10.818 -4.958 -4.696 1.00 22.34 H new ATOM 0 HA ARG A 7 8.928 -5.172 -2.552 1.00 64.30 H new ATOM 0 HB2 ARG A 7 11.222 -3.247 -3.101 1.00 41.21 H new ATOM 0 HB3 ARG A 7 10.341 -3.335 -1.589 1.00 41.21 H new ATOM 0 HG2 ARG A 7 11.039 -5.897 -1.686 1.00 43.51 H new ATOM 0 HG3 ARG A 7 12.283 -5.305 -2.769 1.00 43.51 H new ATOM 0 HD2 ARG A 7 11.786 -4.032 -0.058 1.00 63.44 H new ATOM 0 HD3 ARG A 7 12.842 -5.418 -0.245 1.00 63.44 H new ATOM 0 HE ARG A 7 13.400 -2.659 -1.039 1.00 51.32 H new ATOM 0 HH11 ARG A 7 14.157 -6.063 -1.588 1.00 3.14 H new ATOM 0 HH12 ARG A 7 15.765 -5.720 -2.235 1.00 3.14 H new ATOM 0 HH21 ARG A 7 15.465 -2.227 -1.871 1.00 22.30 H new ATOM 0 HH22 ARG A 7 16.503 -3.557 -2.395 1.00 22.30 H new ATOM 128 N ALA A 8 8.612 -2.772 -4.719 1.00 72.14 N ATOM 129 CA ALA A 8 7.760 -1.671 -5.152 1.00 2.45 C ATOM 130 C ALA A 8 6.529 -2.186 -5.889 1.00 41.00 C ATOM 131 O ALA A 8 5.417 -2.139 -5.365 1.00 72.53 O ATOM 132 CB ALA A 8 8.544 -0.711 -6.034 1.00 35.53 C ATOM 0 H ALA A 8 9.289 -3.081 -5.417 1.00 72.14 H new ATOM 0 HA ALA A 8 7.422 -1.136 -4.265 1.00 2.45 H new ATOM 0 HB1 ALA A 8 7.895 0.106 -6.350 1.00 35.53 H new ATOM 0 HB2 ALA A 8 9.388 -0.308 -5.473 1.00 35.53 H new ATOM 0 HB3 ALA A 8 8.912 -1.242 -6.912 1.00 35.53 H new ATOM 138 N GLN A 9 6.737 -2.676 -7.107 1.00 33.03 N ATOM 139 CA GLN A 9 5.643 -3.199 -7.916 1.00 54.52 C ATOM 140 C GLN A 9 4.686 -4.029 -7.067 1.00 74.14 C ATOM 141 O GLN A 9 3.490 -4.098 -7.350 1.00 62.54 O ATOM 142 CB GLN A 9 6.190 -4.046 -9.067 1.00 2.44 C ATOM 143 CG GLN A 9 6.254 -5.532 -8.751 1.00 1.44 C ATOM 144 CD GLN A 9 5.061 -6.295 -9.292 1.00 4.35 C ATOM 145 OE1 GLN A 9 4.058 -6.503 -8.447 1.00 41.55 O flip ATOM 146 NE2 GLN A 9 5.042 -6.695 -10.456 1.00 40.31 N flip ATOM 0 H GLN A 9 7.652 -2.722 -7.555 1.00 33.03 H new ATOM 0 HA GLN A 9 5.093 -2.353 -8.328 1.00 54.52 H new ATOM 0 HB2 GLN A 9 5.564 -3.897 -9.947 1.00 2.44 H new ATOM 0 HB3 GLN A 9 7.189 -3.694 -9.323 1.00 2.44 H new ATOM 0 HG2 GLN A 9 7.169 -5.950 -9.171 1.00 1.44 H new ATOM 0 HG3 GLN A 9 6.308 -5.668 -7.671 1.00 1.44 H new ATOM 0 HE21 GLN A 9 5.835 -6.513 -11.071 1.00 40.31 H new ATOM 0 HE22 GLN A 9 4.233 -7.209 -10.806 1.00 40.31 H new ATOM 155 N TRP A 10 5.221 -4.658 -6.027 1.00 34.31 N ATOM 156 CA TRP A 10 4.413 -5.485 -5.137 1.00 25.11 C ATOM 157 C TRP A 10 3.687 -4.628 -4.107 1.00 10.31 C ATOM 158 O TRP A 10 2.554 -4.924 -3.727 1.00 32.01 O ATOM 159 CB TRP A 10 5.292 -6.519 -4.431 1.00 45.50 C ATOM 160 CG TRP A 10 4.509 -7.565 -3.699 1.00 35.14 C ATOM 161 CD1 TRP A 10 4.688 -7.970 -2.407 1.00 21.20 C ATOM 162 CD2 TRP A 10 3.423 -8.340 -4.217 1.00 32.42 C ATOM 163 NE1 TRP A 10 3.779 -8.951 -2.091 1.00 70.42 N ATOM 164 CE2 TRP A 10 2.991 -9.196 -3.184 1.00 72.13 C ATOM 165 CE3 TRP A 10 2.771 -8.394 -5.453 1.00 32.21 C ATOM 166 CZ2 TRP A 10 1.939 -10.093 -3.352 1.00 51.21 C ATOM 167 CZ3 TRP A 10 1.727 -9.286 -5.617 1.00 44.13 C ATOM 168 CH2 TRP A 10 1.319 -10.125 -4.572 1.00 2.20 C ATOM 0 H TRP A 10 6.209 -4.612 -5.779 1.00 34.31 H new ATOM 0 HA TRP A 10 3.667 -6.003 -5.740 1.00 25.11 H new ATOM 0 HB2 TRP A 10 5.932 -7.004 -5.168 1.00 45.50 H new ATOM 0 HB3 TRP A 10 5.948 -6.007 -3.727 1.00 45.50 H new ATOM 0 HD1 TRP A 10 5.434 -7.577 -1.733 1.00 21.20 H new ATOM 0 HE1 TRP A 10 3.703 -9.421 -1.189 1.00 70.42 H new ATOM 0 HE3 TRP A 10 3.077 -7.751 -6.265 1.00 32.21 H new ATOM 0 HZ2 TRP A 10 1.623 -10.741 -2.548 1.00 51.21 H new ATOM 0 HZ3 TRP A 10 1.217 -9.337 -6.568 1.00 44.13 H new ATOM 0 HH2 TRP A 10 0.500 -10.810 -4.732 1.00 2.20 H new ATOM 179 N PHE A 11 4.345 -3.565 -3.658 1.00 41.25 N ATOM 180 CA PHE A 11 3.762 -2.664 -2.671 1.00 33.44 C ATOM 181 C PHE A 11 2.430 -2.105 -3.164 1.00 23.21 C ATOM 182 O PHE A 11 1.419 -2.174 -2.467 1.00 21.05 O ATOM 183 CB PHE A 11 4.726 -1.517 -2.362 1.00 62.43 C ATOM 184 CG PHE A 11 4.037 -0.257 -1.922 1.00 44.14 C ATOM 185 CD1 PHE A 11 3.516 0.625 -2.855 1.00 42.54 C ATOM 186 CD2 PHE A 11 3.911 0.045 -0.576 1.00 74.22 C ATOM 187 CE1 PHE A 11 2.883 1.787 -2.454 1.00 24.14 C ATOM 188 CE2 PHE A 11 3.277 1.204 -0.168 1.00 51.34 C ATOM 189 CZ PHE A 11 2.762 2.075 -1.109 1.00 1.31 C ATOM 0 H PHE A 11 5.283 -3.306 -3.962 1.00 41.25 H new ATOM 0 HA PHE A 11 3.582 -3.233 -1.759 1.00 33.44 H new ATOM 0 HB2 PHE A 11 5.418 -1.835 -1.582 1.00 62.43 H new ATOM 0 HB3 PHE A 11 5.322 -1.305 -3.250 1.00 62.43 H new ATOM 0 HD1 PHE A 11 3.605 0.402 -3.908 1.00 42.54 H new ATOM 0 HD2 PHE A 11 4.313 -0.632 0.163 1.00 74.22 H new ATOM 0 HE1 PHE A 11 2.484 2.468 -3.191 1.00 24.14 H new ATOM 0 HE2 PHE A 11 3.184 1.428 0.884 1.00 51.34 H new ATOM 0 HZ PHE A 11 2.265 2.980 -0.793 1.00 1.31 H new ATOM 199 N ALA A 12 2.439 -1.551 -4.373 1.00 22.51 N ATOM 200 CA ALA A 12 1.233 -0.982 -4.960 1.00 64.32 C ATOM 201 C ALA A 12 0.164 -2.051 -5.166 1.00 4.34 C ATOM 202 O ALA A 12 -1.030 -1.752 -5.193 1.00 43.53 O ATOM 203 CB ALA A 12 1.561 -0.302 -6.281 1.00 53.24 C ATOM 0 H ALA A 12 3.268 -1.485 -4.964 1.00 22.51 H new ATOM 0 HA ALA A 12 0.838 -0.239 -4.267 1.00 64.32 H new ATOM 0 HB1 ALA A 12 0.651 0.119 -6.709 1.00 53.24 H new ATOM 0 HB2 ALA A 12 2.284 0.495 -6.110 1.00 53.24 H new ATOM 0 HB3 ALA A 12 1.983 -1.032 -6.971 1.00 53.24 H new ATOM 209 N ILE A 13 0.601 -3.298 -5.309 1.00 41.13 N ATOM 210 CA ILE A 13 -0.318 -4.410 -5.511 1.00 24.32 C ATOM 211 C ILE A 13 -1.168 -4.654 -4.268 1.00 30.02 C ATOM 212 O ILE A 13 -2.349 -4.984 -4.368 1.00 10.14 O ATOM 213 CB ILE A 13 0.435 -5.706 -5.866 1.00 41.21 C ATOM 214 CG1 ILE A 13 0.596 -5.830 -7.382 1.00 75.12 C ATOM 215 CG2 ILE A 13 -0.297 -6.915 -5.305 1.00 33.45 C ATOM 216 CD1 ILE A 13 -0.397 -6.776 -8.019 1.00 72.33 C ATOM 0 H ILE A 13 1.586 -3.563 -5.289 1.00 41.13 H new ATOM 0 HA ILE A 13 -0.966 -4.136 -6.344 1.00 24.32 H new ATOM 0 HB ILE A 13 1.427 -5.666 -5.417 1.00 41.21 H new ATOM 0 HG12 ILE A 13 0.487 -4.844 -7.833 1.00 75.12 H new ATOM 0 HG13 ILE A 13 1.606 -6.172 -7.605 1.00 75.12 H new ATOM 0 HG21 ILE A 13 0.248 -7.823 -5.564 1.00 33.45 H new ATOM 0 HG22 ILE A 13 -0.363 -6.829 -4.220 1.00 33.45 H new ATOM 0 HG23 ILE A 13 -1.301 -6.961 -5.727 1.00 33.45 H new ATOM 0 HD11 ILE A 13 -0.224 -6.815 -9.095 1.00 72.33 H new ATOM 0 HD12 ILE A 13 -0.273 -7.773 -7.596 1.00 72.33 H new ATOM 0 HD13 ILE A 13 -1.410 -6.423 -7.827 1.00 72.33 H new ATOM 228 N GLN A 14 -0.558 -4.487 -3.099 1.00 21.44 N ATOM 229 CA GLN A 14 -1.260 -4.687 -1.836 1.00 64.33 C ATOM 230 C GLN A 14 -1.596 -3.352 -1.183 1.00 11.22 C ATOM 231 O GLN A 14 -2.230 -3.307 -0.128 1.00 2.45 O ATOM 232 CB GLN A 14 -0.411 -5.534 -0.886 1.00 71.11 C ATOM 233 CG GLN A 14 0.523 -6.499 -1.600 1.00 23.15 C ATOM 234 CD GLN A 14 1.490 -7.182 -0.654 1.00 44.32 C ATOM 235 OE1 GLN A 14 1.080 -7.869 0.283 1.00 0.43 O ATOM 236 NE2 GLN A 14 2.784 -6.998 -0.894 1.00 32.23 N ATOM 0 H GLN A 14 0.420 -4.214 -3.000 1.00 21.44 H new ATOM 0 HA GLN A 14 -2.192 -5.212 -2.046 1.00 64.33 H new ATOM 0 HB2 GLN A 14 0.179 -4.872 -0.252 1.00 71.11 H new ATOM 0 HB3 GLN A 14 -1.071 -6.100 -0.229 1.00 71.11 H new ATOM 0 HG2 GLN A 14 -0.068 -7.255 -2.118 1.00 23.15 H new ATOM 0 HG3 GLN A 14 1.086 -5.958 -2.361 1.00 23.15 H new ATOM 0 HE21 GLN A 14 3.080 -6.421 -1.681 1.00 32.23 H new ATOM 0 HE22 GLN A 14 3.482 -7.434 -0.291 1.00 32.23 H new ATOM 245 N HIS A 15 -1.168 -2.264 -1.816 1.00 32.35 N ATOM 246 CA HIS A 15 -1.425 -0.926 -1.295 1.00 53.13 C ATOM 247 C HIS A 15 -2.147 -0.069 -2.332 1.00 20.13 C ATOM 248 O HIS A 15 -2.600 1.036 -2.031 1.00 3.14 O ATOM 249 CB HIS A 15 -0.114 -0.255 -0.886 1.00 41.22 C ATOM 250 CG HIS A 15 0.440 -0.762 0.409 1.00 2.43 C ATOM 251 ND1 HIS A 15 1.606 -1.391 0.688 1.00 44.11 N flip ATOM 252 CD2 HIS A 15 -0.229 -0.647 1.610 1.00 13.33 C flip ATOM 253 CE1 HIS A 15 1.621 -1.641 2.038 1.00 2.44 C flip ATOM 254 NE2 HIS A 15 0.503 -1.182 2.571 1.00 15.34 N flip ATOM 0 H HIS A 15 -0.642 -2.283 -2.690 1.00 32.35 H new ATOM 0 HA HIS A 15 -2.065 -1.021 -0.418 1.00 53.13 H new ATOM 0 HB2 HIS A 15 0.624 -0.409 -1.673 1.00 41.22 H new ATOM 0 HB3 HIS A 15 -0.275 0.820 -0.807 1.00 41.22 H new ATOM 0 HD1 HIS A 15 2.337 -1.634 0.020 1.00 44.11 H new ATOM 0 HD2 HIS A 15 -1.199 -0.191 1.744 1.00 13.33 H new ATOM 0 HE1 HIS A 15 2.417 -2.133 2.577 1.00 2.44 H new ATOM 263 N ILE A 16 -2.251 -0.587 -3.551 1.00 55.33 N ATOM 264 CA ILE A 16 -2.918 0.131 -4.630 1.00 22.14 C ATOM 265 C ILE A 16 -3.758 -0.815 -5.483 1.00 15.33 C ATOM 266 O ILE A 16 -3.332 -1.925 -5.799 1.00 63.01 O ATOM 267 CB ILE A 16 -1.905 0.856 -5.535 1.00 33.11 C ATOM 268 CG1 ILE A 16 -1.701 2.295 -5.058 1.00 12.42 C ATOM 269 CG2 ILE A 16 -2.375 0.832 -6.982 1.00 50.42 C ATOM 270 CD1 ILE A 16 -0.320 2.839 -5.351 1.00 54.21 C ATOM 0 H ILE A 16 -1.882 -1.500 -3.816 1.00 55.33 H new ATOM 0 HA ILE A 16 -3.568 0.870 -4.162 1.00 22.14 H new ATOM 0 HB ILE A 16 -0.949 0.335 -5.476 1.00 33.11 H new ATOM 0 HG12 ILE A 16 -2.443 2.936 -5.534 1.00 12.42 H new ATOM 0 HG13 ILE A 16 -1.881 2.342 -3.984 1.00 12.42 H new ATOM 0 HG21 ILE A 16 -1.648 1.348 -7.609 1.00 50.42 H new ATOM 0 HG22 ILE A 16 -2.473 -0.201 -7.316 1.00 50.42 H new ATOM 0 HG23 ILE A 16 -3.341 1.331 -7.059 1.00 50.42 H new ATOM 0 HD11 ILE A 16 -0.247 3.863 -4.985 1.00 54.21 H new ATOM 0 HD12 ILE A 16 0.427 2.222 -4.853 1.00 54.21 H new ATOM 0 HD13 ILE A 16 -0.144 2.825 -6.427 1.00 54.21 H new ATOM 282 N SER A 17 -4.953 -0.367 -5.851 1.00 74.11 N ATOM 283 CA SER A 17 -5.854 -1.174 -6.665 1.00 55.15 C ATOM 284 C SER A 17 -6.970 -0.315 -7.255 1.00 23.51 C ATOM 285 O SER A 17 -7.905 0.076 -6.554 1.00 22.04 O ATOM 286 CB SER A 17 -6.454 -2.306 -5.831 1.00 22.34 C ATOM 287 OG SER A 17 -7.574 -1.856 -5.089 1.00 33.01 O ATOM 0 H SER A 17 -5.320 0.551 -5.599 1.00 74.11 H new ATOM 0 HA SER A 17 -5.277 -1.603 -7.484 1.00 55.15 H new ATOM 0 HB2 SER A 17 -6.753 -3.125 -6.486 1.00 22.34 H new ATOM 0 HB3 SER A 17 -5.699 -2.701 -5.151 1.00 22.34 H new ATOM 0 HG SER A 17 -7.579 -0.876 -5.066 1.00 33.01 H new ATOM 293 N LEU A 18 -6.866 -0.025 -8.547 1.00 65.00 N ATOM 294 CA LEU A 18 -7.865 0.787 -9.232 1.00 63.44 C ATOM 295 C LEU A 18 -9.271 0.257 -8.970 1.00 61.51 C ATOM 296 O LEU A 18 -10.152 0.995 -8.532 1.00 0.10 O ATOM 297 CB LEU A 18 -7.588 0.808 -10.737 1.00 14.44 C ATOM 298 CG LEU A 18 -6.123 0.673 -11.152 1.00 25.34 C ATOM 299 CD1 LEU A 18 -5.961 0.949 -12.638 1.00 55.43 C ATOM 300 CD2 LEU A 18 -5.248 1.612 -10.334 1.00 24.22 C ATOM 0 H LEU A 18 -6.099 -0.340 -9.142 1.00 65.00 H new ATOM 0 HA LEU A 18 -7.801 1.803 -8.842 1.00 63.44 H new ATOM 0 HB2 LEU A 18 -8.152 -0.001 -11.201 1.00 14.44 H new ATOM 0 HB3 LEU A 18 -7.976 1.742 -11.144 1.00 14.44 H new ATOM 0 HG LEU A 18 -5.803 -0.351 -10.957 1.00 25.34 H new ATOM 0 HD11 LEU A 18 -4.911 0.848 -12.915 1.00 55.43 H new ATOM 0 HD12 LEU A 18 -6.557 0.236 -13.208 1.00 55.43 H new ATOM 0 HD13 LEU A 18 -6.299 1.962 -12.859 1.00 55.43 H new ATOM 0 HD21 LEU A 18 -4.208 1.502 -10.643 1.00 24.22 H new ATOM 0 HD22 LEU A 18 -5.568 2.641 -10.496 1.00 24.22 H new ATOM 0 HD23 LEU A 18 -5.340 1.366 -9.276 1.00 24.22 H new ATOM 312 N ASN A 19 -9.472 -1.030 -9.239 1.00 55.34 N ATOM 313 CA ASN A 19 -10.771 -1.659 -9.031 1.00 24.12 C ATOM 314 C ASN A 19 -10.685 -2.743 -7.959 1.00 42.44 C ATOM 315 O ASN A 19 -10.552 -3.931 -8.252 1.00 0.33 O ATOM 316 CB ASN A 19 -11.285 -2.262 -10.340 1.00 1.02 C ATOM 317 CG ASN A 19 -10.160 -2.741 -11.237 1.00 60.33 C ATOM 318 OD1 ASN A 19 -9.479 -1.802 -11.884 1.00 10.14 O flip ATOM 319 ND2 ASN A 19 -9.905 -3.940 -11.347 1.00 75.12 N flip ATOM 0 H ASN A 19 -8.753 -1.656 -9.601 1.00 55.34 H new ATOM 0 HA ASN A 19 -11.468 -0.892 -8.693 1.00 24.12 H new ATOM 0 HB2 ASN A 19 -11.948 -3.097 -10.116 1.00 1.02 H new ATOM 0 HB3 ASN A 19 -11.878 -1.518 -10.872 1.00 1.02 H new ATOM 0 HD21 ASN A 19 -10.454 -4.628 -10.831 1.00 75.12 H new ATOM 0 HD22 ASN A 19 -9.145 -4.246 -11.954 1.00 75.12 H new ATOM 326 N PRO A 20 -10.763 -2.324 -6.687 1.00 50.43 N ATOM 327 CA PRO A 20 -10.697 -3.241 -5.546 1.00 61.14 C ATOM 328 C PRO A 20 -11.939 -4.120 -5.436 1.00 41.41 C ATOM 329 O PRO A 20 -13.028 -3.656 -5.098 1.00 33.10 O ATOM 330 CB PRO A 20 -10.597 -2.302 -4.341 1.00 72.14 C ATOM 331 CG PRO A 20 -11.228 -1.032 -4.798 1.00 35.14 C ATOM 332 CD PRO A 20 -10.922 -0.921 -6.266 1.00 30.25 C ATOM 0 HA PRO A 20 -9.863 -3.938 -5.631 1.00 61.14 H new ATOM 0 HB2 PRO A 20 -11.116 -2.713 -3.475 1.00 72.14 H new ATOM 0 HB3 PRO A 20 -9.559 -2.145 -4.046 1.00 72.14 H new ATOM 0 HG2 PRO A 20 -12.304 -1.046 -4.624 1.00 35.14 H new ATOM 0 HG3 PRO A 20 -10.828 -0.179 -4.251 1.00 35.14 H new ATOM 0 HD2 PRO A 20 -11.728 -0.427 -6.809 1.00 30.25 H new ATOM 0 HD3 PRO A 20 -10.016 -0.342 -6.445 1.00 30.25 H new ATOM 340 N PRO A 21 -11.773 -5.419 -5.727 1.00 55.44 N ATOM 341 CA PRO A 21 -12.870 -6.389 -5.667 1.00 15.30 C ATOM 342 C PRO A 21 -13.321 -6.666 -4.238 1.00 15.25 C ATOM 343 O PRO A 21 -13.039 -5.888 -3.326 1.00 2.12 O ATOM 344 CB PRO A 21 -12.264 -7.648 -6.290 1.00 72.12 C ATOM 345 CG PRO A 21 -10.798 -7.513 -6.068 1.00 40.35 C ATOM 346 CD PRO A 21 -10.503 -6.039 -6.137 1.00 20.31 C ATOM 0 HA PRO A 21 -13.761 -6.029 -6.181 1.00 15.30 H new ATOM 0 HB2 PRO A 21 -12.654 -8.550 -5.819 1.00 72.12 H new ATOM 0 HB3 PRO A 21 -12.499 -7.716 -7.352 1.00 72.12 H new ATOM 0 HG2 PRO A 21 -10.510 -7.924 -5.100 1.00 40.35 H new ATOM 0 HG3 PRO A 21 -10.236 -8.059 -6.826 1.00 40.35 H new ATOM 0 HD2 PRO A 21 -9.686 -5.761 -5.471 1.00 20.31 H new ATOM 0 HD3 PRO A 21 -10.213 -5.734 -7.142 1.00 20.31 H new ATOM 354 N ARG A 22 -14.023 -7.778 -4.048 1.00 13.34 N ATOM 355 CA ARG A 22 -14.513 -8.157 -2.728 1.00 72.03 C ATOM 356 C ARG A 22 -13.354 -8.433 -1.776 1.00 21.22 C ATOM 357 O ARG A 22 -12.714 -9.483 -1.847 1.00 74.53 O ATOM 358 CB ARG A 22 -15.410 -9.392 -2.829 1.00 20.13 C ATOM 359 CG ARG A 22 -16.788 -9.100 -3.401 1.00 23.04 C ATOM 360 CD ARG A 22 -17.703 -8.478 -2.358 1.00 71.52 C ATOM 361 NE ARG A 22 -18.046 -9.423 -1.298 1.00 55.01 N ATOM 362 CZ ARG A 22 -18.997 -9.203 -0.397 1.00 75.55 C ATOM 363 NH1 ARG A 22 -19.696 -8.076 -0.427 1.00 73.24 N ATOM 364 NH2 ARG A 22 -19.251 -10.110 0.537 1.00 23.41 N ATOM 0 H ARG A 22 -14.265 -8.433 -4.792 1.00 13.34 H new ATOM 0 HA ARG A 22 -15.095 -7.325 -2.332 1.00 72.03 H new ATOM 0 HB2 ARG A 22 -14.918 -10.138 -3.453 1.00 20.13 H new ATOM 0 HB3 ARG A 22 -15.523 -9.830 -1.837 1.00 20.13 H new ATOM 0 HG2 ARG A 22 -16.694 -8.426 -4.253 1.00 23.04 H new ATOM 0 HG3 ARG A 22 -17.232 -10.023 -3.772 1.00 23.04 H new ATOM 0 HD2 ARG A 22 -17.216 -7.606 -1.922 1.00 71.52 H new ATOM 0 HD3 ARG A 22 -18.615 -8.126 -2.840 1.00 71.52 H new ATOM 0 HE ARG A 22 -17.527 -10.300 -1.247 1.00 55.01 H new ATOM 0 HH11 ARG A 22 -19.504 -7.376 -1.143 1.00 73.24 H new ATOM 0 HH12 ARG A 22 -20.426 -7.910 0.266 1.00 73.24 H new ATOM 0 HH21 ARG A 22 -18.716 -10.978 0.564 1.00 23.41 H new ATOM 0 HH22 ARG A 22 -19.982 -9.940 1.228 1.00 23.41 H new ATOM 378 N CYS A 23 -13.088 -7.485 -0.885 1.00 15.41 N ATOM 379 CA CYS A 23 -12.005 -7.624 0.081 1.00 15.32 C ATOM 380 C CYS A 23 -11.740 -9.093 0.393 1.00 24.32 C ATOM 381 O CYS A 23 -10.590 -9.521 0.497 1.00 41.23 O ATOM 382 CB CYS A 23 -12.343 -6.871 1.370 1.00 20.51 C ATOM 383 SG CYS A 23 -10.886 -6.326 2.318 1.00 63.52 S ATOM 0 H CYS A 23 -13.608 -6.611 -0.812 1.00 15.41 H new ATOM 0 HA CYS A 23 -11.104 -7.195 -0.357 1.00 15.32 H new ATOM 0 HB2 CYS A 23 -12.948 -5.999 1.121 1.00 20.51 H new ATOM 0 HB3 CYS A 23 -12.955 -7.513 2.003 1.00 20.51 H new ATOM 388 N THR A 24 -12.812 -9.865 0.540 1.00 15.21 N ATOM 389 CA THR A 24 -12.698 -11.287 0.840 1.00 43.31 C ATOM 390 C THR A 24 -11.709 -11.968 -0.099 1.00 4.13 C ATOM 391 O THR A 24 -10.767 -12.624 0.346 1.00 61.13 O ATOM 392 CB THR A 24 -14.060 -11.996 0.735 1.00 15.33 C ATOM 393 OG1 THR A 24 -14.851 -11.713 1.895 1.00 3.44 O ATOM 394 CG2 THR A 24 -13.879 -13.499 0.592 1.00 10.22 C ATOM 0 H THR A 24 -13.771 -9.528 0.456 1.00 15.21 H new ATOM 0 HA THR A 24 -12.336 -11.365 1.865 1.00 43.31 H new ATOM 0 HB THR A 24 -14.571 -11.622 -0.152 1.00 15.33 H new ATOM 0 HG1 THR A 24 -15.716 -12.166 1.819 1.00 3.44 H new ATOM 0 HG21 THR A 24 -14.856 -13.978 0.520 1.00 10.22 H new ATOM 0 HG22 THR A 24 -13.303 -13.712 -0.308 1.00 10.22 H new ATOM 0 HG23 THR A 24 -13.349 -13.886 1.462 1.00 10.22 H new ATOM 402 N ILE A 25 -11.929 -11.808 -1.400 1.00 41.20 N ATOM 403 CA ILE A 25 -11.056 -12.407 -2.401 1.00 30.02 C ATOM 404 C ILE A 25 -9.938 -11.449 -2.800 1.00 14.22 C ATOM 405 O ILE A 25 -8.827 -11.873 -3.114 1.00 51.03 O ATOM 406 CB ILE A 25 -11.842 -12.814 -3.662 1.00 24.12 C ATOM 407 CG1 ILE A 25 -13.239 -13.305 -3.281 1.00 60.43 C ATOM 408 CG2 ILE A 25 -11.088 -13.888 -4.432 1.00 43.32 C ATOM 409 CD1 ILE A 25 -14.193 -13.381 -4.454 1.00 63.01 C ATOM 0 H ILE A 25 -12.704 -11.269 -1.785 1.00 41.20 H new ATOM 0 HA ILE A 25 -10.623 -13.299 -1.949 1.00 30.02 H new ATOM 0 HB ILE A 25 -11.947 -11.940 -4.305 1.00 24.12 H new ATOM 0 HG12 ILE A 25 -13.157 -14.292 -2.825 1.00 60.43 H new ATOM 0 HG13 ILE A 25 -13.656 -12.639 -2.526 1.00 60.43 H new ATOM 0 HG21 ILE A 25 -11.656 -14.165 -5.320 1.00 43.32 H new ATOM 0 HG22 ILE A 25 -10.112 -13.505 -4.730 1.00 43.32 H new ATOM 0 HG23 ILE A 25 -10.955 -14.765 -3.798 1.00 43.32 H new ATOM 0 HD11 ILE A 25 -15.164 -13.737 -4.110 1.00 63.01 H new ATOM 0 HD12 ILE A 25 -14.305 -12.391 -4.897 1.00 63.01 H new ATOM 0 HD13 ILE A 25 -13.798 -14.070 -5.200 1.00 63.01 H new ATOM 421 N ALA A 26 -10.240 -10.155 -2.781 1.00 73.13 N ATOM 422 CA ALA A 26 -9.261 -9.136 -3.136 1.00 62.40 C ATOM 423 C ALA A 26 -7.884 -9.482 -2.581 1.00 4.21 C ATOM 424 O ALA A 26 -6.865 -9.250 -3.231 1.00 1.40 O ATOM 425 CB ALA A 26 -9.709 -7.773 -2.630 1.00 33.53 C ATOM 0 H ALA A 26 -11.156 -9.788 -2.523 1.00 73.13 H new ATOM 0 HA ALA A 26 -9.188 -9.101 -4.223 1.00 62.40 H new ATOM 0 HB1 ALA A 26 -8.968 -7.022 -2.903 1.00 33.53 H new ATOM 0 HB2 ALA A 26 -10.668 -7.516 -3.079 1.00 33.53 H new ATOM 0 HB3 ALA A 26 -9.812 -7.804 -1.545 1.00 33.53 H new ATOM 431 N MET A 27 -7.860 -10.038 -1.374 1.00 2.30 N ATOM 432 CA MET A 27 -6.607 -10.415 -0.731 1.00 63.32 C ATOM 433 C MET A 27 -6.192 -11.827 -1.135 1.00 35.21 C ATOM 434 O MET A 27 -5.546 -12.538 -0.365 1.00 63.35 O ATOM 435 CB MET A 27 -6.742 -10.326 0.790 1.00 22.44 C ATOM 436 CG MET A 27 -7.416 -9.051 1.267 1.00 41.40 C ATOM 437 SD MET A 27 -6.828 -8.517 2.886 1.00 32.34 S ATOM 438 CE MET A 27 -5.125 -8.109 2.510 1.00 62.22 C ATOM 0 H MET A 27 -8.694 -10.237 -0.822 1.00 2.30 H new ATOM 0 HA MET A 27 -5.835 -9.720 -1.061 1.00 63.32 H new ATOM 0 HB2 MET A 27 -7.312 -11.184 1.147 1.00 22.44 H new ATOM 0 HB3 MET A 27 -5.751 -10.393 1.239 1.00 22.44 H new ATOM 0 HG2 MET A 27 -7.239 -8.258 0.541 1.00 41.40 H new ATOM 0 HG3 MET A 27 -8.494 -9.209 1.310 1.00 41.40 H new ATOM 0 HE1 MET A 27 -4.463 -8.822 3.002 1.00 62.22 H new ATOM 0 HE2 MET A 27 -4.970 -8.154 1.432 1.00 62.22 H new ATOM 0 HE3 MET A 27 -4.905 -7.103 2.867 1.00 62.22 H new ATOM 448 N ARG A 28 -6.569 -12.227 -2.345 1.00 54.14 N ATOM 449 CA ARG A 28 -6.238 -13.554 -2.849 1.00 53.45 C ATOM 450 C ARG A 28 -4.906 -13.535 -3.592 1.00 23.32 C ATOM 451 O ARG A 28 -4.035 -14.370 -3.345 1.00 52.22 O ATOM 452 CB ARG A 28 -7.344 -14.060 -3.777 1.00 33.32 C ATOM 453 CG ARG A 28 -7.593 -13.162 -4.978 1.00 2.42 C ATOM 454 CD ARG A 28 -6.752 -13.584 -6.172 1.00 62.14 C ATOM 455 NE ARG A 28 -6.417 -12.453 -7.033 1.00 62.41 N ATOM 456 CZ ARG A 28 -6.120 -12.573 -8.322 1.00 0.32 C ATOM 457 NH1 ARG A 28 -6.115 -13.768 -8.896 1.00 34.02 N ATOM 458 NH2 ARG A 28 -5.825 -11.497 -9.040 1.00 13.11 N ATOM 0 H ARG A 28 -7.104 -11.651 -2.995 1.00 54.14 H new ATOM 0 HA ARG A 28 -6.151 -14.228 -1.997 1.00 53.45 H new ATOM 0 HB2 ARG A 28 -7.082 -15.058 -4.129 1.00 33.32 H new ATOM 0 HB3 ARG A 28 -8.269 -14.155 -3.208 1.00 33.32 H new ATOM 0 HG2 ARG A 28 -8.649 -13.195 -5.246 1.00 2.42 H new ATOM 0 HG3 ARG A 28 -7.362 -12.129 -4.716 1.00 2.42 H new ATOM 0 HD2 ARG A 28 -5.835 -14.056 -5.820 1.00 62.14 H new ATOM 0 HD3 ARG A 28 -7.294 -14.332 -6.751 1.00 62.14 H new ATOM 0 HE ARG A 28 -6.411 -11.520 -6.622 1.00 62.41 H new ATOM 0 HH11 ARG A 28 -6.340 -14.598 -8.348 1.00 34.02 H new ATOM 0 HH12 ARG A 28 -5.887 -13.857 -9.886 1.00 34.02 H new ATOM 0 HH21 ARG A 28 -5.826 -10.576 -8.602 1.00 13.11 H new ATOM 0 HH22 ARG A 28 -5.597 -11.591 -10.030 1.00 13.11 H new ATOM 472 N ALA A 29 -4.754 -12.580 -4.504 1.00 14.24 N ATOM 473 CA ALA A 29 -3.529 -12.453 -5.281 1.00 23.31 C ATOM 474 C ALA A 29 -2.403 -11.864 -4.438 1.00 53.42 C ATOM 475 O ALA A 29 -1.228 -12.155 -4.663 1.00 53.05 O ATOM 476 CB ALA A 29 -3.772 -11.596 -6.514 1.00 31.12 C ATOM 0 H ALA A 29 -5.466 -11.883 -4.722 1.00 14.24 H new ATOM 0 HA ALA A 29 -3.225 -13.450 -5.600 1.00 23.31 H new ATOM 0 HB1 ALA A 29 -2.848 -11.510 -7.085 1.00 31.12 H new ATOM 0 HB2 ALA A 29 -4.540 -12.060 -7.134 1.00 31.12 H new ATOM 0 HB3 ALA A 29 -4.103 -10.604 -6.208 1.00 31.12 H new ATOM 482 N ILE A 30 -2.769 -11.032 -3.469 1.00 33.33 N ATOM 483 CA ILE A 30 -1.789 -10.402 -2.592 1.00 61.34 C ATOM 484 C ILE A 30 -1.236 -11.399 -1.580 1.00 50.31 C ATOM 485 O ILE A 30 -0.084 -11.820 -1.675 1.00 30.35 O ATOM 486 CB ILE A 30 -2.397 -9.205 -1.838 1.00 2.40 C ATOM 487 CG1 ILE A 30 -2.517 -7.996 -2.769 1.00 50.42 C ATOM 488 CG2 ILE A 30 -1.551 -8.861 -0.621 1.00 42.31 C ATOM 489 CD1 ILE A 30 -3.588 -8.152 -3.826 1.00 65.12 C ATOM 0 H ILE A 30 -3.737 -10.778 -3.271 1.00 33.33 H new ATOM 0 HA ILE A 30 -0.978 -10.047 -3.228 1.00 61.34 H new ATOM 0 HB ILE A 30 -3.396 -9.478 -1.497 1.00 2.40 H new ATOM 0 HG12 ILE A 30 -2.732 -7.109 -2.173 1.00 50.42 H new ATOM 0 HG13 ILE A 30 -1.557 -7.827 -3.258 1.00 50.42 H new ATOM 0 HG21 ILE A 30 -1.993 -8.013 -0.098 1.00 42.31 H new ATOM 0 HG22 ILE A 30 -1.511 -9.720 0.049 1.00 42.31 H new ATOM 0 HG23 ILE A 30 -0.541 -8.603 -0.941 1.00 42.31 H new ATOM 0 HD11 ILE A 30 -3.617 -7.258 -4.449 1.00 65.12 H new ATOM 0 HD12 ILE A 30 -3.364 -9.020 -4.446 1.00 65.12 H new ATOM 0 HD13 ILE A 30 -4.556 -8.290 -3.345 1.00 65.12 H new ATOM 501 N ASN A 31 -2.065 -11.772 -0.611 1.00 74.51 N ATOM 502 CA ASN A 31 -1.660 -12.721 0.420 1.00 31.50 C ATOM 503 C ASN A 31 -0.867 -13.875 -0.186 1.00 22.52 C ATOM 504 O ASN A 31 -0.083 -14.529 0.500 1.00 20.45 O ATOM 505 CB ASN A 31 -2.887 -13.261 1.156 1.00 34.15 C ATOM 506 CG ASN A 31 -3.320 -12.360 2.297 1.00 14.40 C ATOM 507 OD1 ASN A 31 -2.521 -12.015 3.168 1.00 43.00 O ATOM 508 ND2 ASN A 31 -4.590 -11.974 2.297 1.00 73.53 N ATOM 0 H ASN A 31 -3.022 -11.432 -0.518 1.00 74.51 H new ATOM 0 HA ASN A 31 -1.021 -12.197 1.131 1.00 31.50 H new ATOM 0 HB2 ASN A 31 -3.711 -13.371 0.451 1.00 34.15 H new ATOM 0 HB3 ASN A 31 -2.666 -14.255 1.545 1.00 34.15 H new ATOM 0 HD21 ASN A 31 -4.939 -11.367 3.039 1.00 73.53 H new ATOM 0 HD22 ASN A 31 -5.217 -12.284 1.555 1.00 73.53 H new ATOM 515 N ASN A 32 -1.078 -14.119 -1.475 1.00 70.11 N ATOM 516 CA ASN A 32 -0.384 -15.194 -2.174 1.00 1.22 C ATOM 517 C ASN A 32 1.119 -15.132 -1.911 1.00 35.41 C ATOM 518 O ASN A 32 1.836 -16.112 -2.118 1.00 52.31 O ATOM 519 CB ASN A 32 -0.653 -15.112 -3.677 1.00 52.24 C ATOM 520 CG ASN A 32 -0.479 -16.450 -4.370 1.00 51.41 C ATOM 521 OD1 ASN A 32 -0.818 -17.496 -3.819 1.00 31.45 O ATOM 522 ND2 ASN A 32 0.054 -16.421 -5.586 1.00 42.52 N ATOM 0 H ASN A 32 -1.725 -13.586 -2.057 1.00 70.11 H new ATOM 0 HA ASN A 32 -0.763 -16.143 -1.796 1.00 1.22 H new ATOM 0 HB2 ASN A 32 -1.668 -14.750 -3.842 1.00 52.24 H new ATOM 0 HB3 ASN A 32 0.023 -14.383 -4.125 1.00 52.24 H new ATOM 0 HD21 ASN A 32 0.197 -17.290 -6.101 1.00 42.52 H new ATOM 0 HD22 ASN A 32 0.321 -15.530 -6.005 1.00 42.52 H new ATOM 529 N TYR A 33 1.586 -13.977 -1.453 1.00 43.42 N ATOM 530 CA TYR A 33 3.003 -13.786 -1.164 1.00 32.33 C ATOM 531 C TYR A 33 3.476 -14.768 -0.096 1.00 64.24 C ATOM 532 O TYR A 33 4.631 -15.196 -0.099 1.00 60.14 O ATOM 533 CB TYR A 33 3.262 -12.350 -0.703 1.00 61.42 C ATOM 534 CG TYR A 33 2.424 -11.935 0.484 1.00 51.13 C ATOM 535 CD1 TYR A 33 2.611 -12.519 1.731 1.00 1.20 C ATOM 536 CD2 TYR A 33 1.445 -10.956 0.360 1.00 44.31 C ATOM 537 CE1 TYR A 33 1.848 -12.142 2.818 1.00 23.25 C ATOM 538 CE2 TYR A 33 0.677 -10.572 1.443 1.00 44.23 C ATOM 539 CZ TYR A 33 0.883 -11.169 2.669 1.00 13.54 C ATOM 540 OH TYR A 33 0.121 -10.790 3.751 1.00 53.51 O ATOM 0 H TYR A 33 1.005 -13.158 -1.274 1.00 43.42 H new ATOM 0 HA TYR A 33 3.564 -13.973 -2.080 1.00 32.33 H new ATOM 0 HB2 TYR A 33 4.316 -12.244 -0.448 1.00 61.42 H new ATOM 0 HB3 TYR A 33 3.065 -11.670 -1.532 1.00 61.42 H new ATOM 0 HD1 TYR A 33 3.367 -13.281 1.852 1.00 1.20 H new ATOM 0 HD2 TYR A 33 1.282 -10.487 -0.599 1.00 44.31 H new ATOM 0 HE1 TYR A 33 2.006 -12.607 3.780 1.00 23.25 H new ATOM 0 HE2 TYR A 33 -0.079 -9.809 1.330 1.00 44.23 H new ATOM 0 HH TYR A 33 -0.786 -11.149 3.654 1.00 53.51 H new ATOM 550 N ARG A 34 2.577 -15.120 0.816 1.00 11.23 N ATOM 551 CA ARG A 34 2.903 -16.050 1.890 1.00 21.25 C ATOM 552 C ARG A 34 1.731 -16.986 2.173 1.00 33.44 C ATOM 553 O ARG A 34 0.695 -16.916 1.511 1.00 31.44 O ATOM 554 CB ARG A 34 3.276 -15.285 3.161 1.00 40.22 C ATOM 555 CG ARG A 34 4.704 -14.765 3.161 1.00 0.43 C ATOM 556 CD ARG A 34 4.867 -13.588 4.110 1.00 3.30 C ATOM 557 NE ARG A 34 5.075 -14.021 5.489 1.00 25.32 N ATOM 558 CZ ARG A 34 6.233 -14.487 5.947 1.00 32.10 C ATOM 559 NH1 ARG A 34 7.280 -14.579 5.139 1.00 14.23 N ATOM 560 NH2 ARG A 34 6.343 -14.861 7.214 1.00 21.33 N ATOM 0 H ARG A 34 1.617 -14.775 0.833 1.00 11.23 H new ATOM 0 HA ARG A 34 3.756 -16.649 1.571 1.00 21.25 H new ATOM 0 HB2 ARG A 34 2.592 -14.445 3.283 1.00 40.22 H new ATOM 0 HB3 ARG A 34 3.136 -15.938 4.022 1.00 40.22 H new ATOM 0 HG2 ARG A 34 5.384 -15.566 3.452 1.00 0.43 H new ATOM 0 HG3 ARG A 34 4.982 -14.462 2.152 1.00 0.43 H new ATOM 0 HD2 ARG A 34 5.712 -12.979 3.790 1.00 3.30 H new ATOM 0 HD3 ARG A 34 3.981 -12.956 4.059 1.00 3.30 H new ATOM 0 HE ARG A 34 4.289 -13.963 6.136 1.00 25.32 H new ATOM 0 HH11 ARG A 34 7.198 -14.292 4.164 1.00 14.23 H new ATOM 0 HH12 ARG A 34 8.167 -14.937 5.493 1.00 14.23 H new ATOM 0 HH21 ARG A 34 5.539 -14.791 7.838 1.00 21.33 H new ATOM 0 HH22 ARG A 34 7.232 -15.218 7.565 1.00 21.33 H new ATOM 574 N TRP A 35 1.903 -17.861 3.158 1.00 54.51 N ATOM 575 CA TRP A 35 0.859 -18.810 3.528 1.00 53.03 C ATOM 576 C TRP A 35 0.096 -18.330 4.758 1.00 51.33 C ATOM 577 O TRP A 35 -0.591 -19.110 5.417 1.00 53.34 O ATOM 578 CB TRP A 35 1.467 -20.188 3.795 1.00 74.13 C ATOM 579 CG TRP A 35 1.558 -21.045 2.569 1.00 52.31 C ATOM 580 CD1 TRP A 35 2.594 -21.095 1.680 1.00 22.42 C ATOM 581 CD2 TRP A 35 0.575 -21.971 2.095 1.00 50.31 C ATOM 582 NE1 TRP A 35 2.314 -21.998 0.683 1.00 63.11 N ATOM 583 CE2 TRP A 35 1.081 -22.550 0.915 1.00 44.23 C ATOM 584 CE3 TRP A 35 -0.683 -22.370 2.554 1.00 13.34 C ATOM 585 CZ2 TRP A 35 0.372 -23.504 0.190 1.00 12.42 C ATOM 586 CZ3 TRP A 35 -1.386 -23.316 1.833 1.00 23.53 C ATOM 587 CH2 TRP A 35 -0.858 -23.875 0.662 1.00 43.53 C ATOM 0 H TRP A 35 2.755 -17.933 3.714 1.00 54.51 H new ATOM 0 HA TRP A 35 0.158 -18.884 2.696 1.00 53.03 H new ATOM 0 HB2 TRP A 35 2.464 -20.062 4.216 1.00 74.13 H new ATOM 0 HB3 TRP A 35 0.867 -20.703 4.546 1.00 74.13 H new ATOM 0 HD1 TRP A 35 3.500 -20.511 1.750 1.00 22.42 H new ATOM 0 HE1 TRP A 35 2.925 -22.221 -0.103 1.00 63.11 H new ATOM 0 HE3 TRP A 35 -1.098 -21.946 3.456 1.00 13.34 H new ATOM 0 HZ2 TRP A 35 0.778 -23.936 -0.713 1.00 12.42 H new ATOM 0 HZ3 TRP A 35 -2.360 -23.630 2.178 1.00 23.53 H new ATOM 0 HH2 TRP A 35 -1.432 -24.613 0.121 1.00 43.53 H new ATOM 598 N ARG A 36 0.223 -17.042 5.061 1.00 70.11 N ATOM 599 CA ARG A 36 -0.455 -16.459 6.213 1.00 5.41 C ATOM 600 C ARG A 36 -1.404 -15.345 5.780 1.00 64.32 C ATOM 601 O ARG A 36 -1.361 -14.889 4.637 1.00 73.33 O ATOM 602 CB ARG A 36 0.568 -15.912 7.210 1.00 65.03 C ATOM 603 CG ARG A 36 1.231 -16.988 8.055 1.00 50.33 C ATOM 604 CD ARG A 36 2.645 -16.592 8.453 1.00 31.54 C ATOM 605 NE ARG A 36 3.043 -17.192 9.724 1.00 52.23 N ATOM 606 CZ ARG A 36 2.761 -16.659 10.908 1.00 20.44 C ATOM 607 NH1 ARG A 36 2.082 -15.523 10.982 1.00 34.12 N ATOM 608 NH2 ARG A 36 3.158 -17.264 12.020 1.00 41.14 N ATOM 0 H ARG A 36 0.788 -16.383 4.526 1.00 70.11 H new ATOM 0 HA ARG A 36 -1.039 -17.244 6.694 1.00 5.41 H new ATOM 0 HB2 ARG A 36 1.337 -15.365 6.665 1.00 65.03 H new ATOM 0 HB3 ARG A 36 0.075 -15.197 7.869 1.00 65.03 H new ATOM 0 HG2 ARG A 36 0.636 -17.166 8.951 1.00 50.33 H new ATOM 0 HG3 ARG A 36 1.257 -17.925 7.498 1.00 50.33 H new ATOM 0 HD2 ARG A 36 3.341 -16.900 7.673 1.00 31.54 H new ATOM 0 HD3 ARG A 36 2.710 -15.507 8.528 1.00 31.54 H new ATOM 0 HE ARG A 36 3.566 -18.068 9.701 1.00 52.23 H new ATOM 0 HH11 ARG A 36 1.775 -15.056 10.129 1.00 34.12 H new ATOM 0 HH12 ARG A 36 1.867 -15.116 11.892 1.00 34.12 H new ATOM 0 HH21 ARG A 36 3.680 -18.139 11.966 1.00 41.14 H new ATOM 0 HH22 ARG A 36 2.941 -16.854 12.929 1.00 41.14 H new ATOM 622 N CYS A 37 -2.259 -14.912 6.700 1.00 62.41 N ATOM 623 CA CYS A 37 -3.219 -13.853 6.414 1.00 62.51 C ATOM 624 C CYS A 37 -2.740 -12.518 6.976 1.00 61.24 C ATOM 625 O CYS A 37 -1.779 -12.463 7.742 1.00 4.23 O ATOM 626 CB CYS A 37 -4.588 -14.204 7.002 1.00 25.14 C ATOM 627 SG CYS A 37 -5.995 -13.536 6.060 1.00 75.20 S ATOM 0 H CYS A 37 -2.307 -15.279 7.651 1.00 62.41 H new ATOM 0 HA CYS A 37 -3.308 -13.761 5.332 1.00 62.51 H new ATOM 0 HB2 CYS A 37 -4.682 -15.289 7.054 1.00 25.14 H new ATOM 0 HB3 CYS A 37 -4.639 -13.830 8.025 1.00 25.14 H new ATOM 632 N LYS A 38 -3.416 -11.442 6.588 1.00 21.51 N ATOM 633 CA LYS A 38 -3.063 -10.106 7.052 1.00 44.42 C ATOM 634 C LYS A 38 -4.067 -9.605 8.085 1.00 63.11 C ATOM 635 O LYS A 38 -5.232 -10.000 8.073 1.00 20.23 O ATOM 636 CB LYS A 38 -3.000 -9.134 5.872 1.00 72.35 C ATOM 637 CG LYS A 38 -1.995 -8.011 6.062 1.00 30.30 C ATOM 638 CD LYS A 38 -0.570 -8.538 6.096 1.00 32.12 C ATOM 639 CE LYS A 38 0.442 -7.404 6.150 1.00 43.55 C ATOM 640 NZ LYS A 38 0.456 -6.735 7.480 1.00 51.33 N ATOM 0 H LYS A 38 -4.213 -11.470 5.952 1.00 21.51 H new ATOM 0 HA LYS A 38 -2.081 -10.160 7.523 1.00 44.42 H new ATOM 0 HB2 LYS A 38 -2.746 -9.688 4.969 1.00 72.35 H new ATOM 0 HB3 LYS A 38 -3.989 -8.703 5.714 1.00 72.35 H new ATOM 0 HG2 LYS A 38 -2.098 -7.289 5.252 1.00 30.30 H new ATOM 0 HG3 LYS A 38 -2.210 -7.482 6.990 1.00 30.30 H new ATOM 0 HD2 LYS A 38 -0.441 -9.184 6.964 1.00 32.12 H new ATOM 0 HD3 LYS A 38 -0.386 -9.150 5.213 1.00 32.12 H new ATOM 0 HE2 LYS A 38 1.436 -7.794 5.929 1.00 43.55 H new ATOM 0 HE3 LYS A 38 0.208 -6.671 5.378 1.00 43.55 H new ATOM 0 HZ1 LYS A 38 1.159 -5.968 7.476 1.00 51.33 H new ATOM 0 HZ2 LYS A 38 -0.485 -6.341 7.680 1.00 51.33 H new ATOM 0 HZ3 LYS A 38 0.705 -7.428 8.215 1.00 51.33 H new ATOM 654 N ASN A 39 -3.608 -8.731 8.974 1.00 2.22 N ATOM 655 CA ASN A 39 -4.466 -8.175 10.013 1.00 35.13 C ATOM 656 C ASN A 39 -5.175 -6.918 9.519 1.00 51.24 C ATOM 657 O ASN A 39 -6.215 -6.530 10.050 1.00 5.21 O ATOM 658 CB ASN A 39 -3.647 -7.853 11.265 1.00 32.31 C ATOM 659 CG ASN A 39 -2.467 -8.789 11.438 1.00 44.31 C ATOM 660 OD1 ASN A 39 -1.372 -8.525 10.939 1.00 40.01 O ATOM 661 ND2 ASN A 39 -2.683 -9.889 12.149 1.00 20.42 N ATOM 0 H ASN A 39 -2.646 -8.392 8.996 1.00 2.22 H new ATOM 0 HA ASN A 39 -5.220 -8.922 10.263 1.00 35.13 H new ATOM 0 HB2 ASN A 39 -3.287 -6.826 11.207 1.00 32.31 H new ATOM 0 HB3 ASN A 39 -4.290 -7.916 12.143 1.00 32.31 H new ATOM 0 HD21 ASN A 39 -1.926 -10.555 12.300 1.00 20.42 H new ATOM 0 HD22 ASN A 39 -3.606 -10.068 12.544 1.00 20.42 H new ATOM 668 N GLN A 40 -4.604 -6.287 8.497 1.00 14.32 N ATOM 669 CA GLN A 40 -5.181 -5.074 7.931 1.00 14.30 C ATOM 670 C GLN A 40 -4.394 -4.617 6.707 1.00 73.02 C ATOM 671 O GLN A 40 -3.271 -5.063 6.478 1.00 40.43 O ATOM 672 CB GLN A 40 -5.209 -3.959 8.979 1.00 24.34 C ATOM 673 CG GLN A 40 -6.453 -3.089 8.909 1.00 61.24 C ATOM 674 CD GLN A 40 -6.210 -1.682 9.419 1.00 60.31 C ATOM 675 OE1 GLN A 40 -5.173 -1.397 10.019 1.00 21.22 O ATOM 676 NE2 GLN A 40 -7.168 -0.793 9.182 1.00 45.23 N ATOM 0 H GLN A 40 -3.743 -6.596 8.045 1.00 14.32 H new ATOM 0 HA GLN A 40 -6.202 -5.298 7.622 1.00 14.30 H new ATOM 0 HB2 GLN A 40 -5.142 -4.403 9.972 1.00 24.34 H new ATOM 0 HB3 GLN A 40 -4.328 -3.330 8.851 1.00 24.34 H new ATOM 0 HG2 GLN A 40 -6.802 -3.042 7.877 1.00 61.24 H new ATOM 0 HG3 GLN A 40 -7.248 -3.551 9.494 1.00 61.24 H new ATOM 0 HE21 GLN A 40 -8.011 -1.073 8.681 1.00 45.23 H new ATOM 0 HE22 GLN A 40 -7.061 0.170 9.501 1.00 45.23 H new ATOM 685 N ASN A 41 -4.993 -3.725 5.924 1.00 2.41 N ATOM 686 CA ASN A 41 -4.348 -3.208 4.722 1.00 45.51 C ATOM 687 C ASN A 41 -5.196 -2.118 4.076 1.00 41.24 C ATOM 688 O ASN A 41 -6.379 -1.971 4.383 1.00 20.51 O ATOM 689 CB ASN A 41 -4.103 -4.340 3.723 1.00 11.31 C ATOM 690 CG ASN A 41 -3.512 -3.842 2.418 1.00 34.33 C ATOM 691 OD1 ASN A 41 -4.346 -3.227 1.587 1.00 14.03 O flip ATOM 692 ND2 ASN A 41 -2.320 -4.008 2.160 1.00 33.13 N flip ATOM 0 H ASN A 41 -5.923 -3.345 6.100 1.00 2.41 H new ATOM 0 HA ASN A 41 -3.391 -2.774 5.011 1.00 45.51 H new ATOM 0 HB2 ASN A 41 -3.430 -5.073 4.167 1.00 11.31 H new ATOM 0 HB3 ASN A 41 -5.044 -4.852 3.521 1.00 11.31 H new ATOM 0 HD21 ASN A 41 -1.715 -4.486 2.828 1.00 33.13 H new ATOM 0 HD22 ASN A 41 -1.937 -3.667 1.278 1.00 33.13 H new ATOM 699 N THR A 42 -4.584 -1.353 3.177 1.00 62.41 N ATOM 700 CA THR A 42 -5.282 -0.277 2.486 1.00 43.44 C ATOM 701 C THR A 42 -4.875 -0.210 1.018 1.00 11.34 C ATOM 702 O THR A 42 -3.693 -0.089 0.696 1.00 0.12 O ATOM 703 CB THR A 42 -5.003 1.087 3.146 1.00 71.30 C ATOM 704 OG1 THR A 42 -5.561 1.116 4.465 1.00 34.11 O ATOM 705 CG2 THR A 42 -5.589 2.219 2.317 1.00 73.04 C ATOM 0 H THR A 42 -3.605 -1.459 2.911 1.00 62.41 H new ATOM 0 HA THR A 42 -6.348 -0.496 2.555 1.00 43.44 H new ATOM 0 HB THR A 42 -3.923 1.223 3.206 1.00 71.30 H new ATOM 0 HG1 THR A 42 -6.419 1.588 4.447 1.00 34.11 H new ATOM 0 HG21 THR A 42 -5.379 3.172 2.803 1.00 73.04 H new ATOM 0 HG22 THR A 42 -5.141 2.212 1.323 1.00 73.04 H new ATOM 0 HG23 THR A 42 -6.667 2.086 2.230 1.00 73.04 H new ATOM 713 N PHE A 43 -5.862 -0.289 0.132 1.00 61.21 N ATOM 714 CA PHE A 43 -5.606 -0.239 -1.303 1.00 73.24 C ATOM 715 C PHE A 43 -6.109 1.074 -1.898 1.00 61.52 C ATOM 716 O PHE A 43 -7.314 1.278 -2.054 1.00 64.21 O ATOM 717 CB PHE A 43 -6.280 -1.421 -2.004 1.00 44.34 C ATOM 718 CG PHE A 43 -6.049 -2.736 -1.316 1.00 21.02 C ATOM 719 CD1 PHE A 43 -4.791 -3.317 -1.305 1.00 73.23 C ATOM 720 CD2 PHE A 43 -7.092 -3.391 -0.680 1.00 64.53 C ATOM 721 CE1 PHE A 43 -4.577 -4.526 -0.672 1.00 21.31 C ATOM 722 CE2 PHE A 43 -6.883 -4.601 -0.046 1.00 43.33 C ATOM 723 CZ PHE A 43 -5.624 -5.170 -0.042 1.00 62.33 C ATOM 0 H PHE A 43 -6.846 -0.388 0.382 1.00 61.21 H new ATOM 0 HA PHE A 43 -4.529 -0.300 -1.458 1.00 73.24 H new ATOM 0 HB2 PHE A 43 -7.352 -1.235 -2.064 1.00 44.34 H new ATOM 0 HB3 PHE A 43 -5.910 -1.485 -3.027 1.00 44.34 H new ATOM 0 HD1 PHE A 43 -3.969 -2.819 -1.797 1.00 73.23 H new ATOM 0 HD2 PHE A 43 -8.078 -2.951 -0.680 1.00 64.53 H new ATOM 0 HE1 PHE A 43 -3.591 -4.968 -0.670 1.00 21.31 H new ATOM 0 HE2 PHE A 43 -7.704 -5.102 0.446 1.00 43.33 H new ATOM 0 HZ PHE A 43 -5.459 -6.116 0.452 1.00 62.33 H new ATOM 733 N LEU A 44 -5.177 1.961 -2.230 1.00 30.23 N ATOM 734 CA LEU A 44 -5.523 3.254 -2.808 1.00 12.30 C ATOM 735 C LEU A 44 -5.918 3.106 -4.274 1.00 53.52 C ATOM 736 O LEU A 44 -5.206 2.479 -5.059 1.00 1.04 O ATOM 737 CB LEU A 44 -4.347 4.224 -2.679 1.00 20.11 C ATOM 738 CG LEU A 44 -3.420 4.000 -1.485 1.00 23.14 C ATOM 739 CD1 LEU A 44 -2.458 5.167 -1.329 1.00 14.02 C ATOM 740 CD2 LEU A 44 -4.230 3.800 -0.211 1.00 61.42 C ATOM 0 H LEU A 44 -4.176 1.808 -2.109 1.00 30.23 H new ATOM 0 HA LEU A 44 -6.376 3.653 -2.260 1.00 12.30 H new ATOM 0 HB2 LEU A 44 -3.753 4.166 -3.591 1.00 20.11 H new ATOM 0 HB3 LEU A 44 -4.743 5.238 -2.621 1.00 20.11 H new ATOM 0 HG LEU A 44 -2.837 3.097 -1.667 1.00 23.14 H new ATOM 0 HD11 LEU A 44 -1.806 4.989 -0.474 1.00 14.02 H new ATOM 0 HD12 LEU A 44 -1.854 5.264 -2.231 1.00 14.02 H new ATOM 0 HD13 LEU A 44 -3.023 6.085 -1.170 1.00 14.02 H new ATOM 0 HD21 LEU A 44 -3.554 3.642 0.629 1.00 61.42 H new ATOM 0 HD22 LEU A 44 -4.839 4.684 -0.025 1.00 61.42 H new ATOM 0 HD23 LEU A 44 -4.877 2.930 -0.324 1.00 61.42 H new ATOM 752 N ARG A 45 -7.054 3.692 -4.638 1.00 54.21 N ATOM 753 CA ARG A 45 -7.542 3.627 -6.010 1.00 74.13 C ATOM 754 C ARG A 45 -6.782 4.601 -6.905 1.00 3.31 C ATOM 755 O ARG A 45 -7.277 5.682 -7.227 1.00 61.23 O ATOM 756 CB ARG A 45 -9.040 3.938 -6.056 1.00 52.11 C ATOM 757 CG ARG A 45 -9.848 3.199 -5.003 1.00 60.51 C ATOM 758 CD ARG A 45 -11.267 2.927 -5.479 1.00 51.20 C ATOM 759 NE ARG A 45 -12.027 4.160 -5.668 1.00 3.34 N ATOM 760 CZ ARG A 45 -13.353 4.218 -5.633 1.00 74.04 C ATOM 761 NH1 ARG A 45 -14.063 3.118 -5.420 1.00 33.00 N ATOM 762 NH2 ARG A 45 -13.973 5.377 -5.813 1.00 32.10 N ATOM 0 H ARG A 45 -7.654 4.217 -4.002 1.00 54.21 H new ATOM 0 HA ARG A 45 -7.376 2.615 -6.380 1.00 74.13 H new ATOM 0 HB2 ARG A 45 -9.184 5.011 -5.926 1.00 52.11 H new ATOM 0 HB3 ARG A 45 -9.425 3.682 -7.043 1.00 52.11 H new ATOM 0 HG2 ARG A 45 -9.357 2.256 -4.761 1.00 60.51 H new ATOM 0 HG3 ARG A 45 -9.877 3.787 -4.086 1.00 60.51 H new ATOM 0 HD2 ARG A 45 -11.235 2.374 -6.418 1.00 51.20 H new ATOM 0 HD3 ARG A 45 -11.778 2.294 -4.753 1.00 51.20 H new ATOM 0 HE ARG A 45 -11.511 5.024 -5.836 1.00 3.34 H new ATOM 0 HH11 ARG A 45 -13.590 2.225 -5.283 1.00 33.00 H new ATOM 0 HH12 ARG A 45 -15.082 3.166 -5.394 1.00 33.00 H new ATOM 0 HH21 ARG A 45 -13.431 6.225 -5.979 1.00 32.10 H new ATOM 0 HH22 ARG A 45 -14.992 5.420 -5.786 1.00 32.10 H new ATOM 776 N THR A 46 -5.574 4.212 -7.302 1.00 60.20 N ATOM 777 CA THR A 46 -4.744 5.050 -8.158 1.00 53.31 C ATOM 778 C THR A 46 -3.548 4.273 -8.696 1.00 33.02 C ATOM 779 O THR A 46 -3.176 3.232 -8.154 1.00 51.30 O ATOM 780 CB THR A 46 -4.236 6.293 -7.404 1.00 13.12 C ATOM 781 OG1 THR A 46 -3.914 7.333 -8.334 1.00 24.20 O ATOM 782 CG2 THR A 46 -3.012 5.956 -6.566 1.00 70.33 C ATOM 0 H THR A 46 -5.149 3.321 -7.044 1.00 60.20 H new ATOM 0 HA THR A 46 -5.371 5.369 -8.991 1.00 53.31 H new ATOM 0 HB THR A 46 -5.028 6.635 -6.738 1.00 13.12 H new ATOM 0 HG1 THR A 46 -4.059 8.206 -7.912 1.00 24.20 H new ATOM 0 HG21 THR A 46 -2.672 6.850 -6.043 1.00 70.33 H new ATOM 0 HG22 THR A 46 -3.270 5.186 -5.839 1.00 70.33 H new ATOM 0 HG23 THR A 46 -2.216 5.590 -7.215 1.00 70.33 H new ATOM 790 N THR A 47 -2.949 4.785 -9.767 1.00 11.02 N ATOM 791 CA THR A 47 -1.794 4.138 -10.378 1.00 53.14 C ATOM 792 C THR A 47 -0.509 4.493 -9.639 1.00 33.23 C ATOM 793 O THR A 47 -0.475 5.439 -8.852 1.00 2.03 O ATOM 794 CB THR A 47 -1.648 4.536 -11.860 1.00 3.32 C ATOM 795 OG1 THR A 47 -2.167 5.855 -12.066 1.00 62.54 O ATOM 796 CG2 THR A 47 -2.378 3.551 -12.760 1.00 1.34 C ATOM 0 H THR A 47 -3.244 5.645 -10.229 1.00 11.02 H new ATOM 0 HA THR A 47 -1.961 3.063 -10.312 1.00 53.14 H new ATOM 0 HB THR A 47 -0.588 4.519 -12.115 1.00 3.32 H new ATOM 0 HG1 THR A 47 -1.835 6.451 -11.362 1.00 62.54 H new ATOM 0 HG21 THR A 47 -2.260 3.853 -13.801 1.00 1.34 H new ATOM 0 HG22 THR A 47 -1.960 2.554 -12.622 1.00 1.34 H new ATOM 0 HG23 THR A 47 -3.437 3.539 -12.503 1.00 1.34 H new ATOM 804 N PHE A 48 0.546 3.728 -9.897 1.00 54.32 N ATOM 805 CA PHE A 48 1.835 3.962 -9.255 1.00 73.43 C ATOM 806 C PHE A 48 2.311 5.392 -9.497 1.00 25.42 C ATOM 807 O PHE A 48 2.801 6.056 -8.584 1.00 2.21 O ATOM 808 CB PHE A 48 2.876 2.970 -9.777 1.00 62.25 C ATOM 809 CG PHE A 48 3.900 2.579 -8.751 1.00 14.33 C ATOM 810 CD1 PHE A 48 3.655 1.538 -7.870 1.00 21.52 C ATOM 811 CD2 PHE A 48 5.107 3.254 -8.665 1.00 43.41 C ATOM 812 CE1 PHE A 48 4.595 1.177 -6.924 1.00 11.22 C ATOM 813 CE2 PHE A 48 6.051 2.897 -7.720 1.00 43.22 C ATOM 814 CZ PHE A 48 5.795 1.856 -6.849 1.00 52.44 C ATOM 0 H PHE A 48 0.534 2.941 -10.546 1.00 54.32 H new ATOM 0 HA PHE A 48 1.711 3.816 -8.182 1.00 73.43 H new ATOM 0 HB2 PHE A 48 2.366 2.073 -10.130 1.00 62.25 H new ATOM 0 HB3 PHE A 48 3.384 3.407 -10.637 1.00 62.25 H new ATOM 0 HD1 PHE A 48 2.719 1.003 -7.923 1.00 21.52 H new ATOM 0 HD2 PHE A 48 5.313 4.068 -9.344 1.00 43.41 H new ATOM 0 HE1 PHE A 48 4.391 0.364 -6.243 1.00 11.22 H new ATOM 0 HE2 PHE A 48 6.988 3.432 -7.663 1.00 43.22 H new ATOM 0 HZ PHE A 48 6.532 1.574 -6.111 1.00 52.44 H new ATOM 824 N ALA A 49 2.165 5.857 -10.733 1.00 72.41 N ATOM 825 CA ALA A 49 2.578 7.207 -11.095 1.00 64.14 C ATOM 826 C ALA A 49 1.995 8.236 -10.134 1.00 13.34 C ATOM 827 O ALA A 49 2.697 9.133 -9.670 1.00 13.42 O ATOM 828 CB ALA A 49 2.161 7.520 -12.524 1.00 44.42 C ATOM 0 H ALA A 49 1.764 5.319 -11.501 1.00 72.41 H new ATOM 0 HA ALA A 49 3.665 7.259 -11.025 1.00 64.14 H new ATOM 0 HB1 ALA A 49 2.476 8.531 -12.782 1.00 44.42 H new ATOM 0 HB2 ALA A 49 2.631 6.810 -13.204 1.00 44.42 H new ATOM 0 HB3 ALA A 49 1.077 7.444 -12.612 1.00 44.42 H new ATOM 834 N ASN A 50 0.706 8.100 -9.839 1.00 32.33 N ATOM 835 CA ASN A 50 0.028 9.020 -8.934 1.00 14.45 C ATOM 836 C ASN A 50 0.652 8.973 -7.542 1.00 20.14 C ATOM 837 O ASN A 50 0.502 9.903 -6.750 1.00 51.54 O ATOM 838 CB ASN A 50 -1.461 8.679 -8.848 1.00 0.04 C ATOM 839 CG ASN A 50 -2.209 9.029 -10.120 1.00 24.25 C ATOM 840 OD1 ASN A 50 -2.590 8.008 -10.881 1.00 30.25 O flip ATOM 841 ND2 ASN A 50 -2.441 10.201 -10.415 1.00 11.31 N flip ATOM 0 H ASN A 50 0.111 7.361 -10.214 1.00 32.33 H new ATOM 0 HA ASN A 50 0.141 10.029 -9.330 1.00 14.45 H new ATOM 0 HB2 ASN A 50 -1.576 7.615 -8.643 1.00 0.04 H new ATOM 0 HB3 ASN A 50 -1.906 9.215 -8.009 1.00 0.04 H new ATOM 0 HD21 ASN A 50 -2.129 10.953 -9.800 1.00 11.31 H new ATOM 0 HD22 ASN A 50 -2.945 10.420 -11.274 1.00 11.31 H new ATOM 848 N VAL A 51 1.354 7.882 -7.251 1.00 41.23 N ATOM 849 CA VAL A 51 2.004 7.715 -5.956 1.00 72.44 C ATOM 850 C VAL A 51 3.424 8.270 -5.977 1.00 53.33 C ATOM 851 O VAL A 51 3.799 9.076 -5.127 1.00 43.43 O ATOM 852 CB VAL A 51 2.051 6.233 -5.540 1.00 22.31 C ATOM 853 CG1 VAL A 51 3.212 5.980 -4.591 1.00 1.01 C ATOM 854 CG2 VAL A 51 0.732 5.816 -4.905 1.00 44.30 C ATOM 0 H VAL A 51 1.487 7.101 -7.894 1.00 41.23 H new ATOM 0 HA VAL A 51 1.411 8.271 -5.230 1.00 72.44 H new ATOM 0 HB VAL A 51 2.206 5.628 -6.433 1.00 22.31 H new ATOM 0 HG11 VAL A 51 3.228 4.927 -4.309 1.00 1.01 H new ATOM 0 HG12 VAL A 51 4.149 6.238 -5.085 1.00 1.01 H new ATOM 0 HG13 VAL A 51 3.092 6.593 -3.698 1.00 1.01 H new ATOM 0 HG21 VAL A 51 0.783 4.766 -4.617 1.00 44.30 H new ATOM 0 HG22 VAL A 51 0.545 6.426 -4.021 1.00 44.30 H new ATOM 0 HG23 VAL A 51 -0.077 5.957 -5.621 1.00 44.30 H new ATOM 864 N VAL A 52 4.210 7.832 -6.956 1.00 54.54 N ATOM 865 CA VAL A 52 5.588 8.288 -7.091 1.00 2.44 C ATOM 866 C VAL A 52 5.662 9.809 -7.153 1.00 11.11 C ATOM 867 O VAL A 52 6.578 10.420 -6.604 1.00 1.20 O ATOM 868 CB VAL A 52 6.253 7.700 -8.349 1.00 2.31 C ATOM 869 CG1 VAL A 52 7.742 8.018 -8.365 1.00 35.21 C ATOM 870 CG2 VAL A 52 6.020 6.198 -8.423 1.00 52.43 C ATOM 0 H VAL A 52 3.916 7.162 -7.667 1.00 54.54 H new ATOM 0 HA VAL A 52 6.124 7.938 -6.209 1.00 2.44 H new ATOM 0 HB VAL A 52 5.798 8.159 -9.227 1.00 2.31 H new ATOM 0 HG11 VAL A 52 8.195 7.594 -9.261 1.00 35.21 H new ATOM 0 HG12 VAL A 52 7.883 9.099 -8.363 1.00 35.21 H new ATOM 0 HG13 VAL A 52 8.215 7.589 -7.482 1.00 35.21 H new ATOM 0 HG21 VAL A 52 6.497 5.799 -9.318 1.00 52.43 H new ATOM 0 HG22 VAL A 52 6.446 5.720 -7.541 1.00 52.43 H new ATOM 0 HG23 VAL A 52 4.949 5.997 -8.462 1.00 52.43 H new ATOM 880 N ASN A 53 4.690 10.416 -7.827 1.00 72.45 N ATOM 881 CA ASN A 53 4.644 11.867 -7.963 1.00 3.34 C ATOM 882 C ASN A 53 4.535 12.537 -6.596 1.00 42.11 C ATOM 883 O ASN A 53 4.892 13.705 -6.435 1.00 62.33 O ATOM 884 CB ASN A 53 3.462 12.281 -8.842 1.00 31.13 C ATOM 885 CG ASN A 53 2.963 13.676 -8.520 1.00 51.41 C ATOM 886 OD1 ASN A 53 3.383 14.655 -9.137 1.00 10.43 O ATOM 887 ND2 ASN A 53 2.062 13.773 -7.549 1.00 53.10 N ATOM 0 H ASN A 53 3.924 9.925 -8.287 1.00 72.45 H new ATOM 0 HA ASN A 53 5.571 12.193 -8.436 1.00 3.34 H new ATOM 0 HB2 ASN A 53 3.759 12.237 -9.890 1.00 31.13 H new ATOM 0 HB3 ASN A 53 2.648 11.568 -8.711 1.00 31.13 H new ATOM 0 HD21 ASN A 53 1.690 14.686 -7.288 1.00 53.10 H new ATOM 0 HD22 ASN A 53 1.742 12.934 -7.064 1.00 53.10 H new ATOM 894 N VAL A 54 4.042 11.791 -5.614 1.00 72.33 N ATOM 895 CA VAL A 54 3.888 12.311 -4.260 1.00 62.32 C ATOM 896 C VAL A 54 5.202 12.239 -3.492 1.00 42.51 C ATOM 897 O VAL A 54 5.412 12.977 -2.528 1.00 22.24 O ATOM 898 CB VAL A 54 2.808 11.538 -3.482 1.00 13.13 C ATOM 899 CG1 VAL A 54 2.981 11.741 -1.984 1.00 73.10 C ATOM 900 CG2 VAL A 54 1.418 11.969 -3.929 1.00 41.20 C ATOM 0 H VAL A 54 3.742 10.823 -5.730 1.00 72.33 H new ATOM 0 HA VAL A 54 3.582 13.353 -4.353 1.00 62.32 H new ATOM 0 HB VAL A 54 2.921 10.475 -3.697 1.00 13.13 H new ATOM 0 HG11 VAL A 54 2.209 11.187 -1.450 1.00 73.10 H new ATOM 0 HG12 VAL A 54 3.963 11.380 -1.679 1.00 73.10 H new ATOM 0 HG13 VAL A 54 2.895 12.802 -1.748 1.00 73.10 H new ATOM 0 HG21 VAL A 54 0.667 11.412 -3.369 1.00 41.20 H new ATOM 0 HG22 VAL A 54 1.291 13.036 -3.745 1.00 41.20 H new ATOM 0 HG23 VAL A 54 1.299 11.768 -4.994 1.00 41.20 H new ATOM 910 N CYS A 55 6.087 11.347 -3.924 1.00 32.14 N ATOM 911 CA CYS A 55 7.382 11.178 -3.277 1.00 63.31 C ATOM 912 C CYS A 55 8.311 12.341 -3.609 1.00 2.33 C ATOM 913 O CYS A 55 9.108 12.771 -2.775 1.00 24.34 O ATOM 914 CB CYS A 55 8.024 9.858 -3.712 1.00 14.32 C ATOM 915 SG CYS A 55 7.075 8.378 -3.235 1.00 25.34 S ATOM 0 H CYS A 55 5.930 10.729 -4.721 1.00 32.14 H new ATOM 0 HA CYS A 55 7.222 11.159 -2.199 1.00 63.31 H new ATOM 0 HB2 CYS A 55 8.146 9.865 -4.795 1.00 14.32 H new ATOM 0 HB3 CYS A 55 9.022 9.792 -3.279 1.00 14.32 H new ATOM 920 N GLY A 56 8.203 12.849 -4.833 1.00 32.22 N ATOM 921 CA GLY A 56 9.038 13.958 -5.253 1.00 4.11 C ATOM 922 C GLY A 56 8.657 15.260 -4.578 1.00 5.30 C ATOM 923 O GLY A 56 9.292 16.290 -4.797 1.00 41.14 O ATOM 0 H GLY A 56 7.551 12.512 -5.541 1.00 32.22 H new ATOM 0 HA2 GLY A 56 10.080 13.729 -5.030 1.00 4.11 H new ATOM 0 HA3 GLY A 56 8.962 14.077 -6.334 1.00 4.11 H new ATOM 927 N ASN A 57 7.615 15.214 -3.754 1.00 52.25 N ATOM 928 CA ASN A 57 7.148 16.401 -3.045 1.00 40.22 C ATOM 929 C ASN A 57 7.899 16.580 -1.730 1.00 25.04 C ATOM 930 O ASN A 57 8.567 15.661 -1.256 1.00 2.41 O ATOM 931 CB ASN A 57 5.645 16.302 -2.778 1.00 20.53 C ATOM 932 CG ASN A 57 4.848 16.043 -4.042 1.00 0.14 C ATOM 933 OD1 ASN A 57 5.382 16.109 -5.150 1.00 54.41 O ATOM 934 ND2 ASN A 57 3.564 15.745 -3.882 1.00 3.02 N ATOM 0 H ASN A 57 7.078 14.369 -3.561 1.00 52.25 H new ATOM 0 HA ASN A 57 7.342 17.270 -3.674 1.00 40.22 H new ATOM 0 HB2 ASN A 57 5.458 15.500 -2.063 1.00 20.53 H new ATOM 0 HB3 ASN A 57 5.299 17.227 -2.317 1.00 20.53 H new ATOM 0 HD21 ASN A 57 2.978 15.560 -4.696 1.00 3.02 H new ATOM 0 HD22 ASN A 57 3.164 15.701 -2.945 1.00 3.02 H new ATOM 941 N GLN A 58 7.784 17.768 -1.146 1.00 45.21 N ATOM 942 CA GLN A 58 8.454 18.067 0.115 1.00 70.03 C ATOM 943 C GLN A 58 8.260 16.933 1.116 1.00 12.22 C ATOM 944 O GLN A 58 7.142 16.667 1.558 1.00 14.13 O ATOM 945 CB GLN A 58 7.923 19.376 0.700 1.00 54.12 C ATOM 946 CG GLN A 58 8.754 20.592 0.324 1.00 11.32 C ATOM 947 CD GLN A 58 8.955 21.545 1.486 1.00 34.34 C ATOM 948 OE1 GLN A 58 8.591 22.719 1.411 1.00 15.45 O ATOM 949 NE2 GLN A 58 9.536 21.044 2.570 1.00 61.53 N ATOM 0 H GLN A 58 7.234 18.539 -1.525 1.00 45.21 H new ATOM 0 HA GLN A 58 9.520 18.173 -0.084 1.00 70.03 H new ATOM 0 HB2 GLN A 58 6.899 19.527 0.360 1.00 54.12 H new ATOM 0 HB3 GLN A 58 7.889 19.291 1.786 1.00 54.12 H new ATOM 0 HG2 GLN A 58 9.726 20.263 -0.043 1.00 11.32 H new ATOM 0 HG3 GLN A 58 8.266 21.121 -0.495 1.00 11.32 H new ATOM 0 HE21 GLN A 58 9.822 20.065 2.589 1.00 61.53 H new ATOM 0 HE22 GLN A 58 9.696 21.638 3.383 1.00 61.53 H new ATOM 958 N SER A 59 9.355 16.269 1.470 1.00 21.03 N ATOM 959 CA SER A 59 9.304 15.160 2.416 1.00 23.00 C ATOM 960 C SER A 59 8.933 15.653 3.811 1.00 13.21 C ATOM 961 O SER A 59 9.152 16.817 4.149 1.00 44.44 O ATOM 962 CB SER A 59 10.652 14.438 2.461 1.00 45.32 C ATOM 963 OG SER A 59 11.712 15.350 2.699 1.00 32.33 O ATOM 0 H SER A 59 10.288 16.479 1.116 1.00 21.03 H new ATOM 0 HA SER A 59 8.537 14.463 2.079 1.00 23.00 H new ATOM 0 HB2 SER A 59 10.637 13.681 3.245 1.00 45.32 H new ATOM 0 HB3 SER A 59 10.821 13.917 1.518 1.00 45.32 H new ATOM 0 HG SER A 59 12.562 14.864 2.725 1.00 32.33 H new ATOM 969 N ILE A 60 8.367 14.761 4.617 1.00 62.34 N ATOM 970 CA ILE A 60 7.965 15.104 5.975 1.00 24.32 C ATOM 971 C ILE A 60 8.310 13.982 6.950 1.00 14.02 C ATOM 972 O ILE A 60 8.730 12.899 6.543 1.00 72.24 O ATOM 973 CB ILE A 60 6.456 15.397 6.058 1.00 30.23 C ATOM 974 CG1 ILE A 60 5.665 14.333 5.294 1.00 71.23 C ATOM 975 CG2 ILE A 60 6.155 16.784 5.513 1.00 70.23 C ATOM 976 CD1 ILE A 60 5.270 13.146 6.143 1.00 62.42 C ATOM 0 H ILE A 60 8.176 13.795 4.352 1.00 62.34 H new ATOM 0 HA ILE A 60 8.516 16.003 6.250 1.00 24.32 H new ATOM 0 HB ILE A 60 6.152 15.366 7.104 1.00 30.23 H new ATOM 0 HG12 ILE A 60 4.765 14.789 4.880 1.00 71.23 H new ATOM 0 HG13 ILE A 60 6.262 13.984 4.451 1.00 71.23 H new ATOM 0 HG21 ILE A 60 5.084 16.976 5.579 1.00 70.23 H new ATOM 0 HG22 ILE A 60 6.694 17.530 6.098 1.00 70.23 H new ATOM 0 HG23 ILE A 60 6.471 16.842 4.471 1.00 70.23 H new ATOM 0 HD11 ILE A 60 4.713 12.433 5.535 1.00 62.42 H new ATOM 0 HD12 ILE A 60 6.166 12.665 6.536 1.00 62.42 H new ATOM 0 HD13 ILE A 60 4.646 13.482 6.971 1.00 62.42 H new ATOM 988 N ARG A 61 8.126 14.250 8.238 1.00 3.23 N ATOM 989 CA ARG A 61 8.416 13.263 9.272 1.00 42.22 C ATOM 990 C ARG A 61 7.323 12.200 9.331 1.00 1.22 C ATOM 991 O ARG A 61 6.163 12.502 9.615 1.00 41.10 O ATOM 992 CB ARG A 61 8.554 13.945 10.635 1.00 74.11 C ATOM 993 CG ARG A 61 7.395 14.870 10.972 1.00 72.33 C ATOM 994 CD ARG A 61 7.168 14.953 12.473 1.00 44.01 C ATOM 995 NE ARG A 61 5.897 15.594 12.801 1.00 64.44 N ATOM 996 CZ ARG A 61 5.715 16.910 12.796 1.00 2.23 C ATOM 997 NH1 ARG A 61 6.717 17.720 12.484 1.00 71.10 N ATOM 998 NH2 ARG A 61 4.529 17.418 13.105 1.00 10.12 N ATOM 0 H ARG A 61 7.778 15.141 8.591 1.00 3.23 H new ATOM 0 HA ARG A 61 9.358 12.777 9.020 1.00 42.22 H new ATOM 0 HB2 ARG A 61 8.635 13.181 11.408 1.00 74.11 H new ATOM 0 HB3 ARG A 61 9.482 14.517 10.654 1.00 74.11 H new ATOM 0 HG2 ARG A 61 7.596 15.866 10.578 1.00 72.33 H new ATOM 0 HG3 ARG A 61 6.488 14.511 10.485 1.00 72.33 H new ATOM 0 HD2 ARG A 61 7.188 13.950 12.898 1.00 44.01 H new ATOM 0 HD3 ARG A 61 7.984 15.511 12.933 1.00 44.01 H new ATOM 0 HE ARG A 61 5.106 14.999 13.047 1.00 64.44 H new ATOM 0 HH11 ARG A 61 7.631 17.333 12.247 1.00 71.10 H new ATOM 0 HH12 ARG A 61 6.574 18.730 12.481 1.00 71.10 H new ATOM 0 HH21 ARG A 61 3.756 16.798 13.347 1.00 10.12 H new ATOM 0 HH22 ARG A 61 4.390 18.429 13.101 1.00 10.12 H new ATOM 1012 N CYS A 62 7.701 10.955 9.061 1.00 11.05 N ATOM 1013 CA CYS A 62 6.753 9.847 9.083 1.00 60.24 C ATOM 1014 C CYS A 62 6.339 9.513 10.513 1.00 0.12 C ATOM 1015 O CYS A 62 7.069 9.763 11.472 1.00 23.13 O ATOM 1016 CB CYS A 62 7.365 8.613 8.416 1.00 22.31 C ATOM 1017 SG CYS A 62 8.499 8.995 7.043 1.00 52.51 S ATOM 0 H CYS A 62 8.657 10.688 8.825 1.00 11.05 H new ATOM 0 HA CYS A 62 5.865 10.150 8.528 1.00 60.24 H new ATOM 0 HB2 CYS A 62 7.904 8.036 9.168 1.00 22.31 H new ATOM 0 HB3 CYS A 62 6.561 7.978 8.043 1.00 22.31 H new ATOM 1022 N PRO A 63 5.138 8.934 10.661 1.00 50.01 N ATOM 1023 CA PRO A 63 4.599 8.553 11.970 1.00 30.31 C ATOM 1024 C PRO A 63 5.350 7.377 12.586 1.00 43.11 C ATOM 1025 O PRO A 63 5.672 7.387 13.775 1.00 73.30 O ATOM 1026 CB PRO A 63 3.153 8.158 11.656 1.00 11.45 C ATOM 1027 CG PRO A 63 3.174 7.746 10.225 1.00 63.11 C ATOM 1028 CD PRO A 63 4.214 8.606 9.562 1.00 14.42 C ATOM 0 HA PRO A 63 4.687 9.360 12.698 1.00 30.31 H new ATOM 0 HB2 PRO A 63 2.817 7.343 12.297 1.00 11.45 H new ATOM 0 HB3 PRO A 63 2.471 8.993 11.817 1.00 11.45 H new ATOM 0 HG2 PRO A 63 3.421 6.689 10.127 1.00 63.11 H new ATOM 0 HG3 PRO A 63 2.197 7.889 9.763 1.00 63.11 H new ATOM 0 HD2 PRO A 63 4.721 8.075 8.756 1.00 14.42 H new ATOM 0 HD3 PRO A 63 3.775 9.503 9.125 1.00 14.42 H new ATOM 1036 N HIS A 64 5.628 6.365 11.770 1.00 43.41 N ATOM 1037 CA HIS A 64 6.344 5.183 12.236 1.00 65.04 C ATOM 1038 C HIS A 64 7.792 5.522 12.577 1.00 43.15 C ATOM 1039 O HIS A 64 8.518 4.700 13.133 1.00 41.31 O ATOM 1040 CB HIS A 64 6.302 4.085 11.172 1.00 22.33 C ATOM 1041 CG HIS A 64 5.153 3.138 11.335 1.00 64.33 C ATOM 1042 ND1 HIS A 64 3.877 3.550 11.652 1.00 34.10 N ATOM 1043 CD2 HIS A 64 5.094 1.790 11.219 1.00 11.13 C ATOM 1044 CE1 HIS A 64 3.082 2.498 11.727 1.00 72.32 C ATOM 1045 NE2 HIS A 64 3.796 1.417 11.468 1.00 30.04 N ATOM 0 H HIS A 64 5.369 6.340 10.784 1.00 43.41 H new ATOM 0 HA HIS A 64 5.852 4.824 13.140 1.00 65.04 H new ATOM 0 HB2 HIS A 64 6.244 4.547 10.187 1.00 22.33 H new ATOM 0 HB3 HIS A 64 7.234 3.522 11.206 1.00 22.33 H new ATOM 0 HD2 HIS A 64 5.915 1.131 10.976 1.00 11.13 H new ATOM 0 HE1 HIS A 64 2.028 2.518 11.960 1.00 72.32 H new ATOM 0 HE2 HIS A 64 3.441 0.461 11.455 1.00 30.04 H new ATOM 1054 N ASN A 65 8.205 6.739 12.237 1.00 33.21 N ATOM 1055 CA ASN A 65 9.567 7.187 12.506 1.00 14.22 C ATOM 1056 C ASN A 65 9.590 8.668 12.871 1.00 51.44 C ATOM 1057 O ASN A 65 9.435 9.533 12.007 1.00 3.41 O ATOM 1058 CB ASN A 65 10.458 6.935 11.289 1.00 53.30 C ATOM 1059 CG ASN A 65 10.496 5.473 10.893 1.00 32.42 C ATOM 1060 OD1 ASN A 65 11.090 4.645 11.585 1.00 64.33 O ATOM 1061 ND2 ASN A 65 9.860 5.146 9.773 1.00 0.22 N ATOM 0 H ASN A 65 7.616 7.432 11.775 1.00 33.21 H new ATOM 0 HA ASN A 65 9.951 6.617 13.352 1.00 14.22 H new ATOM 0 HB2 ASN A 65 10.096 7.527 10.448 1.00 53.30 H new ATOM 0 HB3 ASN A 65 11.470 7.276 11.506 1.00 53.30 H new ATOM 0 HD21 ASN A 65 9.851 4.177 9.456 1.00 0.22 H new ATOM 0 HD22 ASN A 65 9.381 5.864 9.230 1.00 0.22 H new ATOM 1068 N ARG A 66 9.784 8.954 14.154 1.00 4.52 N ATOM 1069 CA ARG A 66 9.827 10.330 14.633 1.00 41.11 C ATOM 1070 C ARG A 66 11.158 10.988 14.279 1.00 62.15 C ATOM 1071 O ARG A 66 11.397 12.149 14.611 1.00 71.14 O ATOM 1072 CB ARG A 66 9.612 10.373 16.147 1.00 42.30 C ATOM 1073 CG ARG A 66 10.876 10.106 16.948 1.00 15.54 C ATOM 1074 CD ARG A 66 10.598 10.111 18.444 1.00 30.21 C ATOM 1075 NE ARG A 66 11.810 10.341 19.225 1.00 25.11 N ATOM 1076 CZ ARG A 66 12.668 9.379 19.551 1.00 73.33 C ATOM 1077 NH1 ARG A 66 12.446 8.130 19.164 1.00 44.53 N ATOM 1078 NH2 ARG A 66 13.749 9.667 20.264 1.00 42.10 N ATOM 0 H ARG A 66 9.914 8.250 14.881 1.00 4.52 H new ATOM 0 HA ARG A 66 9.026 10.883 14.143 1.00 41.11 H new ATOM 0 HB2 ARG A 66 9.217 11.351 16.422 1.00 42.30 H new ATOM 0 HB3 ARG A 66 8.856 9.636 16.420 1.00 42.30 H new ATOM 0 HG2 ARG A 66 11.296 9.143 16.658 1.00 15.54 H new ATOM 0 HG3 ARG A 66 11.624 10.863 16.713 1.00 15.54 H new ATOM 0 HD2 ARG A 66 9.866 10.885 18.674 1.00 30.21 H new ATOM 0 HD3 ARG A 66 10.156 9.158 18.734 1.00 30.21 H new ATOM 0 HE ARG A 66 12.009 11.291 19.537 1.00 25.11 H new ATOM 0 HH11 ARG A 66 11.616 7.906 18.615 1.00 44.53 H new ATOM 0 HH12 ARG A 66 13.105 7.393 19.415 1.00 44.53 H new ATOM 0 HH21 ARG A 66 13.922 10.627 20.562 1.00 42.10 H new ATOM 0 HH22 ARG A 66 14.407 8.929 20.514 1.00 42.10 H new ATOM 1092 N THR A 67 12.021 10.236 13.602 1.00 52.53 N ATOM 1093 CA THR A 67 13.328 10.745 13.203 1.00 13.11 C ATOM 1094 C THR A 67 13.588 10.493 11.722 1.00 14.34 C ATOM 1095 O THR A 67 14.151 11.340 11.027 1.00 11.15 O ATOM 1096 CB THR A 67 14.457 10.099 14.027 1.00 11.53 C ATOM 1097 OG1 THR A 67 15.731 10.547 13.549 1.00 50.31 O ATOM 1098 CG2 THR A 67 14.385 8.582 13.950 1.00 43.22 C ATOM 0 H THR A 67 11.839 9.273 13.319 1.00 52.53 H new ATOM 0 HA THR A 67 13.319 11.819 13.390 1.00 13.11 H new ATOM 0 HB THR A 67 14.334 10.399 15.068 1.00 11.53 H new ATOM 0 HG1 THR A 67 16.443 10.133 14.079 1.00 50.31 H new ATOM 0 HG21 THR A 67 15.193 8.149 14.540 1.00 43.22 H new ATOM 0 HG22 THR A 67 13.427 8.243 14.343 1.00 43.22 H new ATOM 0 HG23 THR A 67 14.484 8.265 12.912 1.00 43.22 H new ATOM 1106 N LEU A 68 13.174 9.326 11.244 1.00 23.25 N ATOM 1107 CA LEU A 68 13.361 8.962 9.844 1.00 23.41 C ATOM 1108 C LEU A 68 12.477 9.812 8.938 1.00 52.05 C ATOM 1109 O LEU A 68 11.272 9.925 9.157 1.00 25.14 O ATOM 1110 CB LEU A 68 13.048 7.480 9.635 1.00 23.25 C ATOM 1111 CG LEU A 68 13.825 6.780 8.518 1.00 42.31 C ATOM 1112 CD1 LEU A 68 13.671 5.271 8.626 1.00 44.33 C ATOM 1113 CD2 LEU A 68 13.356 7.271 7.156 1.00 62.41 C ATOM 0 H LEU A 68 12.706 8.614 11.805 1.00 23.25 H new ATOM 0 HA LEU A 68 14.403 9.147 9.583 1.00 23.41 H new ATOM 0 HB2 LEU A 68 13.241 6.953 10.570 1.00 23.25 H new ATOM 0 HB3 LEU A 68 11.983 7.380 9.427 1.00 23.25 H new ATOM 0 HG LEU A 68 14.882 7.024 8.626 1.00 42.31 H new ATOM 0 HD11 LEU A 68 14.230 4.790 7.824 1.00 44.33 H new ATOM 0 HD12 LEU A 68 14.055 4.934 9.589 1.00 44.33 H new ATOM 0 HD13 LEU A 68 12.617 5.006 8.543 1.00 44.33 H new ATOM 0 HD21 LEU A 68 13.919 6.763 6.373 1.00 62.41 H new ATOM 0 HD22 LEU A 68 12.294 7.056 7.038 1.00 62.41 H new ATOM 0 HD23 LEU A 68 13.519 8.346 7.081 1.00 62.41 H new ATOM 1125 N ASN A 69 13.085 10.408 7.917 1.00 53.43 N ATOM 1126 CA ASN A 69 12.353 11.247 6.975 1.00 33.15 C ATOM 1127 C ASN A 69 12.605 10.801 5.538 1.00 53.34 C ATOM 1128 O ASN A 69 13.242 11.511 4.761 1.00 24.11 O ATOM 1129 CB ASN A 69 12.757 12.713 7.145 1.00 33.01 C ATOM 1130 CG ASN A 69 14.245 12.879 7.382 1.00 23.01 C ATOM 1131 OD1 ASN A 69 14.741 12.630 8.481 1.00 4.32 O ATOM 1132 ND2 ASN A 69 14.966 13.300 6.349 1.00 15.01 N ATOM 0 H ASN A 69 14.083 10.325 7.721 1.00 53.43 H new ATOM 0 HA ASN A 69 11.289 11.144 7.186 1.00 33.15 H new ATOM 0 HB2 ASN A 69 12.469 13.272 6.255 1.00 33.01 H new ATOM 0 HB3 ASN A 69 12.208 13.143 7.983 1.00 33.01 H new ATOM 0 HD21 ASN A 69 15.973 13.429 6.449 1.00 15.01 H new ATOM 0 HD22 ASN A 69 14.513 13.494 5.456 1.00 15.01 H new ATOM 1139 N ASN A 70 12.100 9.622 5.193 1.00 23.32 N ATOM 1140 CA ASN A 70 12.271 9.081 3.849 1.00 24.55 C ATOM 1141 C ASN A 70 10.920 8.876 3.169 1.00 4.41 C ATOM 1142 O ASN A 70 10.827 8.212 2.137 1.00 21.03 O ATOM 1143 CB ASN A 70 13.033 7.754 3.904 1.00 51.45 C ATOM 1144 CG ASN A 70 14.537 7.951 3.882 1.00 33.14 C ATOM 1145 OD1 ASN A 70 15.112 8.528 4.805 1.00 53.24 O ATOM 1146 ND2 ASN A 70 15.181 7.469 2.826 1.00 74.11 N ATOM 0 H ASN A 70 11.569 9.022 5.825 1.00 23.32 H new ATOM 0 HA ASN A 70 12.847 9.800 3.265 1.00 24.55 H new ATOM 0 HB2 ASN A 70 12.753 7.214 4.809 1.00 51.45 H new ATOM 0 HB3 ASN A 70 12.738 7.133 3.058 1.00 51.45 H new ATOM 0 HD21 ASN A 70 16.194 7.570 2.756 1.00 74.11 H new ATOM 0 HD22 ASN A 70 14.663 6.998 2.084 1.00 74.11 H new ATOM 1153 N CYS A 71 9.876 9.453 3.755 1.00 41.05 N ATOM 1154 CA CYS A 71 8.530 9.336 3.207 1.00 43.35 C ATOM 1155 C CYS A 71 7.963 10.710 2.860 1.00 63.32 C ATOM 1156 O CYS A 71 8.559 11.739 3.179 1.00 20.24 O ATOM 1157 CB CYS A 71 7.611 8.629 4.204 1.00 41.01 C ATOM 1158 SG CYS A 71 7.111 9.664 5.617 1.00 73.21 S ATOM 0 H CYS A 71 9.937 10.006 4.610 1.00 41.05 H new ATOM 0 HA CYS A 71 8.586 8.745 2.293 1.00 43.35 H new ATOM 0 HB2 CYS A 71 6.717 8.291 3.681 1.00 41.01 H new ATOM 0 HB3 CYS A 71 8.116 7.739 4.580 1.00 41.01 H new ATOM 1163 N HIS A 72 6.807 10.717 2.204 1.00 51.13 N ATOM 1164 CA HIS A 72 6.157 11.964 1.814 1.00 13.22 C ATOM 1165 C HIS A 72 4.639 11.827 1.873 1.00 72.23 C ATOM 1166 O HIS A 72 4.087 10.775 1.547 1.00 5.42 O ATOM 1167 CB HIS A 72 6.590 12.371 0.406 1.00 42.10 C ATOM 1168 CG HIS A 72 8.042 12.124 0.131 1.00 74.23 C ATOM 1169 ND1 HIS A 72 8.912 13.118 -0.266 1.00 23.23 N ATOM 1170 CD2 HIS A 72 8.775 10.989 0.198 1.00 3.25 C ATOM 1171 CE1 HIS A 72 10.117 12.604 -0.431 1.00 71.24 C ATOM 1172 NE2 HIS A 72 10.062 11.313 -0.156 1.00 15.44 N ATOM 0 H HIS A 72 6.301 9.874 1.931 1.00 51.13 H new ATOM 0 HA HIS A 72 6.462 12.739 2.517 1.00 13.22 H new ATOM 0 HB2 HIS A 72 5.992 11.822 -0.322 1.00 42.10 H new ATOM 0 HB3 HIS A 72 6.376 13.430 0.261 1.00 42.10 H new ATOM 0 HD1 HIS A 72 8.663 14.097 -0.410 1.00 23.23 H new ATOM 0 HD2 HIS A 72 8.415 10.010 0.478 1.00 3.25 H new ATOM 0 HE1 HIS A 72 10.998 13.147 -0.739 1.00 71.24 H new ATOM 1181 N ARG A 73 3.968 12.896 2.291 1.00 43.30 N ATOM 1182 CA ARG A 73 2.514 12.894 2.394 1.00 21.15 C ATOM 1183 C ARG A 73 1.879 13.462 1.129 1.00 30.21 C ATOM 1184 O ARG A 73 2.132 14.607 0.755 1.00 11.34 O ATOM 1185 CB ARG A 73 2.066 13.705 3.611 1.00 44.31 C ATOM 1186 CG ARG A 73 0.711 13.288 4.156 1.00 23.35 C ATOM 1187 CD ARG A 73 0.235 14.232 5.249 1.00 14.11 C ATOM 1188 NE ARG A 73 -0.384 15.436 4.700 1.00 10.52 N ATOM 1189 CZ ARG A 73 -0.902 16.403 5.450 1.00 20.15 C ATOM 1190 NH1 ARG A 73 -0.875 16.308 6.772 1.00 44.22 N ATOM 1191 NH2 ARG A 73 -1.448 17.467 4.877 1.00 14.33 N ATOM 0 H ARG A 73 4.409 13.774 2.564 1.00 43.30 H new ATOM 0 HA ARG A 73 2.185 11.862 2.513 1.00 21.15 H new ATOM 0 HB2 ARG A 73 2.812 13.603 4.399 1.00 44.31 H new ATOM 0 HB3 ARG A 73 2.030 14.760 3.340 1.00 44.31 H new ATOM 0 HG2 ARG A 73 -0.018 13.270 3.346 1.00 23.35 H new ATOM 0 HG3 ARG A 73 0.773 12.274 4.551 1.00 23.35 H new ATOM 0 HD2 ARG A 73 -0.481 13.715 5.888 1.00 14.11 H new ATOM 0 HD3 ARG A 73 1.079 14.513 5.879 1.00 14.11 H new ATOM 0 HE ARG A 73 -0.421 15.540 3.686 1.00 10.52 H new ATOM 0 HH11 ARG A 73 -0.456 15.491 7.216 1.00 44.22 H new ATOM 0 HH12 ARG A 73 -1.273 17.052 7.345 1.00 44.22 H new ATOM 0 HH21 ARG A 73 -1.471 17.543 3.860 1.00 14.33 H new ATOM 0 HH22 ARG A 73 -1.845 18.209 5.453 1.00 14.33 H new ATOM 1205 N SER A 74 1.052 12.654 0.473 1.00 65.20 N ATOM 1206 CA SER A 74 0.384 13.074 -0.752 1.00 41.34 C ATOM 1207 C SER A 74 -0.338 14.403 -0.550 1.00 33.33 C ATOM 1208 O SER A 74 -1.152 14.546 0.363 1.00 64.34 O ATOM 1209 CB SER A 74 -0.611 12.005 -1.209 1.00 65.52 C ATOM 1210 OG SER A 74 -1.893 12.228 -0.650 1.00 0.44 O ATOM 0 H SER A 74 0.829 11.704 0.770 1.00 65.20 H new ATOM 0 HA SER A 74 1.144 13.206 -1.522 1.00 41.34 H new ATOM 0 HB2 SER A 74 -0.680 12.009 -2.297 1.00 65.52 H new ATOM 0 HB3 SER A 74 -0.250 11.019 -0.916 1.00 65.52 H new ATOM 0 HG SER A 74 -2.491 12.590 -1.337 1.00 0.44 H new ATOM 1216 N ARG A 75 -0.034 15.371 -1.407 1.00 41.32 N ATOM 1217 CA ARG A 75 -0.652 16.689 -1.322 1.00 2.35 C ATOM 1218 C ARG A 75 -2.065 16.665 -1.896 1.00 32.12 C ATOM 1219 O ARG A 75 -2.891 17.520 -1.577 1.00 40.20 O ATOM 1220 CB ARG A 75 0.196 17.723 -2.067 1.00 22.32 C ATOM 1221 CG ARG A 75 0.197 17.535 -3.574 1.00 43.15 C ATOM 1222 CD ARG A 75 1.150 18.505 -4.256 1.00 5.10 C ATOM 1223 NE ARG A 75 0.587 19.849 -4.351 1.00 52.53 N ATOM 1224 CZ ARG A 75 1.077 20.797 -5.142 1.00 70.23 C ATOM 1225 NH1 ARG A 75 2.135 20.549 -5.902 1.00 54.14 N ATOM 1226 NH2 ARG A 75 0.509 21.996 -5.174 1.00 75.33 N ATOM 0 H ARG A 75 0.637 15.268 -2.169 1.00 41.32 H new ATOM 0 HA ARG A 75 -0.711 16.968 -0.270 1.00 2.35 H new ATOM 0 HB2 ARG A 75 -0.175 18.721 -1.834 1.00 22.32 H new ATOM 0 HB3 ARG A 75 1.222 17.671 -1.702 1.00 22.32 H new ATOM 0 HG2 ARG A 75 0.485 16.511 -3.814 1.00 43.15 H new ATOM 0 HG3 ARG A 75 -0.811 17.682 -3.961 1.00 43.15 H new ATOM 0 HD2 ARG A 75 2.087 18.543 -3.701 1.00 5.10 H new ATOM 0 HD3 ARG A 75 1.386 18.139 -5.255 1.00 5.10 H new ATOM 0 HE ARG A 75 -0.227 20.072 -3.779 1.00 52.53 H new ATOM 0 HH11 ARG A 75 2.574 19.629 -5.880 1.00 54.14 H new ATOM 0 HH12 ARG A 75 2.509 21.279 -6.509 1.00 54.14 H new ATOM 0 HH21 ARG A 75 -0.305 22.191 -4.591 1.00 75.33 H new ATOM 0 HH22 ARG A 75 0.886 22.723 -5.782 1.00 75.33 H new ATOM 1240 N PHE A 76 -2.335 15.680 -2.746 1.00 33.31 N ATOM 1241 CA PHE A 76 -3.648 15.544 -3.366 1.00 14.02 C ATOM 1242 C PHE A 76 -4.416 14.369 -2.766 1.00 4.12 C ATOM 1243 O PHE A 76 -3.847 13.305 -2.517 1.00 55.32 O ATOM 1244 CB PHE A 76 -3.505 15.356 -4.878 1.00 21.44 C ATOM 1245 CG PHE A 76 -3.031 16.588 -5.593 1.00 44.40 C ATOM 1246 CD1 PHE A 76 -3.820 17.726 -5.639 1.00 70.50 C ATOM 1247 CD2 PHE A 76 -1.794 16.609 -6.220 1.00 34.13 C ATOM 1248 CE1 PHE A 76 -3.386 18.862 -6.297 1.00 31.45 C ATOM 1249 CE2 PHE A 76 -1.355 17.742 -6.878 1.00 34.00 C ATOM 1250 CZ PHE A 76 -2.153 18.869 -6.918 1.00 41.21 C ATOM 0 H PHE A 76 -1.662 14.964 -3.021 1.00 33.31 H new ATOM 0 HA PHE A 76 -4.209 16.458 -3.172 1.00 14.02 H new ATOM 0 HB2 PHE A 76 -2.806 14.542 -5.070 1.00 21.44 H new ATOM 0 HB3 PHE A 76 -4.467 15.054 -5.291 1.00 21.44 H new ATOM 0 HD1 PHE A 76 -4.786 17.726 -5.155 1.00 70.50 H new ATOM 0 HD2 PHE A 76 -1.167 15.730 -6.194 1.00 34.13 H new ATOM 0 HE1 PHE A 76 -4.011 19.743 -6.325 1.00 31.45 H new ATOM 0 HE2 PHE A 76 -0.389 17.746 -7.361 1.00 34.00 H new ATOM 0 HZ PHE A 76 -1.813 19.754 -7.434 1.00 41.21 H new ATOM 1260 N ARG A 77 -5.709 14.570 -2.536 1.00 3.01 N ATOM 1261 CA ARG A 77 -6.553 13.529 -1.964 1.00 35.53 C ATOM 1262 C ARG A 77 -7.061 12.583 -3.048 1.00 75.35 C ATOM 1263 O ARG A 77 -7.494 13.020 -4.116 1.00 50.32 O ATOM 1264 CB ARG A 77 -7.737 14.153 -1.222 1.00 42.53 C ATOM 1265 CG ARG A 77 -7.329 15.193 -0.191 1.00 73.32 C ATOM 1266 CD ARG A 77 -8.534 15.957 0.336 1.00 65.51 C ATOM 1267 NE ARG A 77 -8.817 17.149 -0.459 1.00 45.40 N ATOM 1268 CZ ARG A 77 -9.734 18.051 -0.130 1.00 30.22 C ATOM 1269 NH1 ARG A 77 -10.455 17.897 0.973 1.00 50.43 N ATOM 1270 NH2 ARG A 77 -9.933 19.111 -0.904 1.00 24.44 N ATOM 0 H ARG A 77 -6.195 15.444 -2.737 1.00 3.01 H new ATOM 0 HA ARG A 77 -5.951 12.956 -1.259 1.00 35.53 H new ATOM 0 HB2 ARG A 77 -8.407 14.616 -1.947 1.00 42.53 H new ATOM 0 HB3 ARG A 77 -8.301 13.363 -0.726 1.00 42.53 H new ATOM 0 HG2 ARG A 77 -6.816 14.704 0.637 1.00 73.32 H new ATOM 0 HG3 ARG A 77 -6.621 15.891 -0.637 1.00 73.32 H new ATOM 0 HD2 ARG A 77 -9.407 15.304 0.333 1.00 65.51 H new ATOM 0 HD3 ARG A 77 -8.355 16.246 1.372 1.00 65.51 H new ATOM 0 HE ARG A 77 -8.281 17.297 -1.314 1.00 45.40 H new ATOM 0 HH11 ARG A 77 -10.305 17.084 1.571 1.00 50.43 H new ATOM 0 HH12 ARG A 77 -11.159 18.592 1.223 1.00 50.43 H new ATOM 0 HH21 ARG A 77 -9.381 19.233 -1.753 1.00 24.44 H new ATOM 0 HH22 ARG A 77 -10.638 19.803 -0.650 1.00 24.44 H new ATOM 1284 N VAL A 78 -7.006 11.285 -2.769 1.00 54.25 N ATOM 1285 CA VAL A 78 -7.461 10.278 -3.719 1.00 63.45 C ATOM 1286 C VAL A 78 -8.298 9.208 -3.029 1.00 25.11 C ATOM 1287 O VAL A 78 -8.132 8.925 -1.841 1.00 70.35 O ATOM 1288 CB VAL A 78 -6.274 9.603 -4.434 1.00 51.31 C ATOM 1289 CG1 VAL A 78 -5.188 10.623 -4.742 1.00 64.32 C ATOM 1290 CG2 VAL A 78 -5.723 8.464 -3.590 1.00 20.12 C ATOM 0 H VAL A 78 -6.650 10.906 -1.891 1.00 54.25 H new ATOM 0 HA VAL A 78 -8.075 10.795 -4.457 1.00 63.45 H new ATOM 0 HB VAL A 78 -6.628 9.187 -5.378 1.00 51.31 H new ATOM 0 HG11 VAL A 78 -4.358 10.129 -5.247 1.00 64.32 H new ATOM 0 HG12 VAL A 78 -5.593 11.402 -5.387 1.00 64.32 H new ATOM 0 HG13 VAL A 78 -4.834 11.069 -3.813 1.00 64.32 H new ATOM 0 HG21 VAL A 78 -4.886 7.998 -4.110 1.00 20.12 H new ATOM 0 HG22 VAL A 78 -5.383 8.854 -2.630 1.00 20.12 H new ATOM 0 HG23 VAL A 78 -6.505 7.723 -3.424 1.00 20.12 H new ATOM 1300 N PRO A 79 -9.220 8.597 -3.787 1.00 23.13 N ATOM 1301 CA PRO A 79 -10.102 7.547 -3.268 1.00 41.31 C ATOM 1302 C PRO A 79 -9.351 6.254 -2.969 1.00 42.33 C ATOM 1303 O PRO A 79 -8.739 5.659 -3.857 1.00 54.51 O ATOM 1304 CB PRO A 79 -11.104 7.331 -4.406 1.00 14.40 C ATOM 1305 CG PRO A 79 -10.381 7.762 -5.635 1.00 1.43 C ATOM 1306 CD PRO A 79 -9.473 8.884 -5.208 1.00 75.44 C ATOM 0 HA PRO A 79 -10.563 7.833 -2.323 1.00 41.31 H new ATOM 0 HB2 PRO A 79 -11.409 6.287 -4.472 1.00 14.40 H new ATOM 0 HB3 PRO A 79 -12.009 7.918 -4.253 1.00 14.40 H new ATOM 0 HG2 PRO A 79 -9.809 6.938 -6.061 1.00 1.43 H new ATOM 0 HG3 PRO A 79 -11.080 8.095 -6.402 1.00 1.43 H new ATOM 0 HD2 PRO A 79 -8.549 8.895 -5.786 1.00 75.44 H new ATOM 0 HD3 PRO A 79 -9.946 9.857 -5.343 1.00 75.44 H new ATOM 1314 N LEU A 80 -9.400 5.824 -1.713 1.00 42.31 N ATOM 1315 CA LEU A 80 -8.723 4.601 -1.296 1.00 12.43 C ATOM 1316 C LEU A 80 -9.712 3.614 -0.682 1.00 52.21 C ATOM 1317 O LEU A 80 -10.886 3.934 -0.491 1.00 31.41 O ATOM 1318 CB LEU A 80 -7.617 4.924 -0.290 1.00 2.24 C ATOM 1319 CG LEU A 80 -8.066 5.593 1.010 1.00 51.02 C ATOM 1320 CD1 LEU A 80 -9.088 4.728 1.730 1.00 11.12 C ATOM 1321 CD2 LEU A 80 -6.870 5.870 1.908 1.00 65.31 C ATOM 0 H LEU A 80 -9.901 6.304 -0.966 1.00 42.31 H new ATOM 0 HA LEU A 80 -8.279 4.141 -2.179 1.00 12.43 H new ATOM 0 HB2 LEU A 80 -7.100 3.998 -0.039 1.00 2.24 H new ATOM 0 HB3 LEU A 80 -6.889 5.573 -0.777 1.00 2.24 H new ATOM 0 HG LEU A 80 -8.537 6.545 0.763 1.00 51.02 H new ATOM 0 HD11 LEU A 80 -9.396 5.220 2.653 1.00 11.12 H new ATOM 0 HD12 LEU A 80 -9.957 4.582 1.089 1.00 11.12 H new ATOM 0 HD13 LEU A 80 -8.645 3.761 1.965 1.00 11.12 H new ATOM 0 HD21 LEU A 80 -7.208 6.346 2.828 1.00 65.31 H new ATOM 0 HD22 LEU A 80 -6.370 4.932 2.148 1.00 65.31 H new ATOM 0 HD23 LEU A 80 -6.173 6.531 1.392 1.00 65.31 H new ATOM 1333 N LEU A 81 -9.230 2.416 -0.374 1.00 25.42 N ATOM 1334 CA LEU A 81 -10.070 1.382 0.221 1.00 42.52 C ATOM 1335 C LEU A 81 -9.367 0.723 1.403 1.00 14.04 C ATOM 1336 O LEU A 81 -8.190 0.374 1.323 1.00 43.30 O ATOM 1337 CB LEU A 81 -10.432 0.327 -0.826 1.00 62.23 C ATOM 1338 CG LEU A 81 -11.782 -0.365 -0.642 1.00 34.43 C ATOM 1339 CD1 LEU A 81 -11.930 -0.878 0.782 1.00 3.23 C ATOM 1340 CD2 LEU A 81 -12.919 0.583 -0.990 1.00 75.13 C ATOM 0 H LEU A 81 -8.261 2.136 -0.526 1.00 25.42 H new ATOM 0 HA LEU A 81 -10.984 1.854 0.583 1.00 42.52 H new ATOM 0 HB2 LEU A 81 -10.419 0.799 -1.808 1.00 62.23 H new ATOM 0 HB3 LEU A 81 -9.653 -0.435 -0.829 1.00 62.23 H new ATOM 0 HG LEU A 81 -11.826 -1.218 -1.320 1.00 34.43 H new ATOM 0 HD11 LEU A 81 -12.897 -1.368 0.894 1.00 3.23 H new ATOM 0 HD12 LEU A 81 -11.135 -1.592 0.996 1.00 3.23 H new ATOM 0 HD13 LEU A 81 -11.864 -0.042 1.479 1.00 3.23 H new ATOM 0 HD21 LEU A 81 -13.873 0.073 -0.853 1.00 75.13 H new ATOM 0 HD22 LEU A 81 -12.877 1.456 -0.338 1.00 75.13 H new ATOM 0 HD23 LEU A 81 -12.823 0.901 -2.028 1.00 75.13 H new ATOM 1352 N HIS A 82 -10.099 0.553 2.500 1.00 72.34 N ATOM 1353 CA HIS A 82 -9.548 -0.068 3.698 1.00 5.31 C ATOM 1354 C HIS A 82 -9.943 -1.540 3.779 1.00 12.42 C ATOM 1355 O HIS A 82 -11.005 -1.935 3.298 1.00 33.00 O ATOM 1356 CB HIS A 82 -10.027 0.671 4.948 1.00 3.12 C ATOM 1357 CG HIS A 82 -9.769 2.145 4.908 1.00 73.02 C ATOM 1358 ND1 HIS A 82 -8.502 2.688 4.887 1.00 5.53 N ATOM 1359 CD2 HIS A 82 -10.626 3.193 4.882 1.00 12.41 C ATOM 1360 CE1 HIS A 82 -8.589 4.006 4.852 1.00 33.42 C ATOM 1361 NE2 HIS A 82 -9.868 4.339 4.848 1.00 25.34 N ATOM 0 H HIS A 82 -11.075 0.837 2.583 1.00 72.34 H new ATOM 0 HA HIS A 82 -8.461 -0.005 3.642 1.00 5.31 H new ATOM 0 HB2 HIS A 82 -11.096 0.501 5.073 1.00 3.12 H new ATOM 0 HB3 HIS A 82 -9.532 0.248 5.822 1.00 3.12 H new ATOM 0 HD2 HIS A 82 -11.705 3.139 4.887 1.00 12.41 H new ATOM 0 HE1 HIS A 82 -7.757 4.694 4.830 1.00 33.42 H new ATOM 0 HE2 HIS A 82 -10.233 5.291 4.824 1.00 25.34 H new ATOM 1370 N CYS A 83 -9.083 -2.346 4.392 1.00 44.22 N ATOM 1371 CA CYS A 83 -9.341 -3.774 4.536 1.00 51.10 C ATOM 1372 C CYS A 83 -8.783 -4.297 5.856 1.00 20.22 C ATOM 1373 O CYS A 83 -7.572 -4.467 6.006 1.00 13.54 O ATOM 1374 CB CYS A 83 -8.724 -4.545 3.367 1.00 1.41 C ATOM 1375 SG CYS A 83 -9.828 -4.722 1.928 1.00 2.01 S ATOM 0 H CYS A 83 -8.200 -2.034 4.797 1.00 44.22 H new ATOM 0 HA CYS A 83 -10.420 -3.925 4.533 1.00 51.10 H new ATOM 0 HB2 CYS A 83 -7.812 -4.038 3.052 1.00 1.41 H new ATOM 0 HB3 CYS A 83 -8.433 -5.537 3.713 1.00 1.41 H new ATOM 1380 N ASP A 84 -9.673 -4.551 6.808 1.00 3.15 N ATOM 1381 CA ASP A 84 -9.271 -5.057 8.115 1.00 2.33 C ATOM 1382 C ASP A 84 -9.629 -6.533 8.261 1.00 3.31 C ATOM 1383 O ASP A 84 -10.635 -6.994 7.723 1.00 31.44 O ATOM 1384 CB ASP A 84 -9.938 -4.246 9.227 1.00 54.30 C ATOM 1385 CG ASP A 84 -9.585 -4.759 10.610 1.00 34.23 C ATOM 1386 OD1 ASP A 84 -8.386 -4.757 10.954 1.00 43.10 O ATOM 1387 OD2 ASP A 84 -10.509 -5.162 11.347 1.00 33.10 O ATOM 0 H ASP A 84 -10.678 -4.415 6.699 1.00 3.15 H new ATOM 0 HA ASP A 84 -8.189 -4.954 8.199 1.00 2.33 H new ATOM 0 HB2 ASP A 84 -9.636 -3.202 9.142 1.00 54.30 H new ATOM 0 HB3 ASP A 84 -11.020 -4.277 9.096 1.00 54.30 H new ATOM 1392 N LEU A 85 -8.796 -7.268 8.991 1.00 75.41 N ATOM 1393 CA LEU A 85 -9.025 -8.694 9.207 1.00 41.23 C ATOM 1394 C LEU A 85 -10.146 -8.918 10.214 1.00 34.45 C ATOM 1395 O LEU A 85 -9.955 -8.752 11.419 1.00 42.10 O ATOM 1396 CB LEU A 85 -7.741 -9.366 9.696 1.00 3.35 C ATOM 1397 CG LEU A 85 -7.733 -10.896 9.671 1.00 53.43 C ATOM 1398 CD1 LEU A 85 -7.801 -11.406 8.240 1.00 12.15 C ATOM 1399 CD2 LEU A 85 -6.495 -11.434 10.374 1.00 73.33 C ATOM 0 H LEU A 85 -7.958 -6.902 9.442 1.00 75.41 H new ATOM 0 HA LEU A 85 -9.322 -9.139 8.257 1.00 41.23 H new ATOM 0 HB2 LEU A 85 -6.912 -9.008 9.085 1.00 3.35 H new ATOM 0 HB3 LEU A 85 -7.549 -9.038 10.718 1.00 3.35 H new ATOM 0 HG LEU A 85 -8.613 -11.255 10.205 1.00 53.43 H new ATOM 0 HD11 LEU A 85 -7.794 -12.496 8.241 1.00 12.15 H new ATOM 0 HD12 LEU A 85 -8.717 -11.049 7.770 1.00 12.15 H new ATOM 0 HD13 LEU A 85 -6.940 -11.039 7.682 1.00 12.15 H new ATOM 0 HD21 LEU A 85 -6.506 -12.524 10.347 1.00 73.33 H new ATOM 0 HD22 LEU A 85 -5.601 -11.067 9.869 1.00 73.33 H new ATOM 0 HD23 LEU A 85 -6.490 -11.097 11.411 1.00 73.33 H new ATOM 1411 N ILE A 86 -11.318 -9.300 9.714 1.00 45.43 N ATOM 1412 CA ILE A 86 -12.469 -9.552 10.571 1.00 40.45 C ATOM 1413 C ILE A 86 -12.288 -10.837 11.371 1.00 3.31 C ATOM 1414 O ILE A 86 -13.169 -11.236 12.132 1.00 51.43 O ATOM 1415 CB ILE A 86 -13.770 -9.649 9.752 1.00 51.45 C ATOM 1416 CG1 ILE A 86 -13.933 -8.412 8.866 1.00 12.13 C ATOM 1417 CG2 ILE A 86 -14.967 -9.806 10.677 1.00 34.20 C ATOM 1418 CD1 ILE A 86 -15.284 -8.327 8.190 1.00 12.21 C ATOM 0 H ILE A 86 -11.494 -9.441 8.719 1.00 45.43 H new ATOM 0 HA ILE A 86 -12.543 -8.708 11.256 1.00 40.45 H new ATOM 0 HB ILE A 86 -13.714 -10.528 9.110 1.00 51.45 H new ATOM 0 HG12 ILE A 86 -13.782 -7.519 9.472 1.00 12.13 H new ATOM 0 HG13 ILE A 86 -13.154 -8.416 8.104 1.00 12.13 H new ATOM 0 HG21 ILE A 86 -15.879 -9.873 10.084 1.00 34.20 H new ATOM 0 HG22 ILE A 86 -14.852 -10.713 11.270 1.00 34.20 H new ATOM 0 HG23 ILE A 86 -15.029 -8.944 11.341 1.00 34.20 H new ATOM 0 HD11 ILE A 86 -15.329 -7.426 7.578 1.00 12.21 H new ATOM 0 HD12 ILE A 86 -15.430 -9.202 7.557 1.00 12.21 H new ATOM 0 HD13 ILE A 86 -16.068 -8.291 8.947 1.00 12.21 H new ATOM 1430 N ASN A 87 -11.139 -11.481 11.195 1.00 51.51 N ATOM 1431 CA ASN A 87 -10.841 -12.721 11.901 1.00 31.34 C ATOM 1432 C ASN A 87 -9.503 -12.626 12.628 1.00 33.34 C ATOM 1433 O ASN A 87 -8.469 -13.084 12.139 1.00 14.12 O ATOM 1434 CB ASN A 87 -10.821 -13.897 10.923 1.00 30.55 C ATOM 1435 CG ASN A 87 -10.012 -13.599 9.676 1.00 20.21 C ATOM 1436 OD1 ASN A 87 -8.782 -13.651 9.693 1.00 0.53 O ATOM 1437 ND2 ASN A 87 -10.701 -13.284 8.585 1.00 11.43 N ATOM 0 H ASN A 87 -10.399 -11.164 10.569 1.00 51.51 H new ATOM 0 HA ASN A 87 -11.625 -12.886 12.641 1.00 31.34 H new ATOM 0 HB2 ASN A 87 -10.406 -14.773 11.421 1.00 30.55 H new ATOM 0 HB3 ASN A 87 -11.843 -14.147 10.638 1.00 30.55 H new ATOM 0 HD21 ASN A 87 -10.211 -13.073 7.716 1.00 11.43 H new ATOM 0 HD22 ASN A 87 -11.720 -13.253 8.617 1.00 11.43 H new ATOM 1444 N PRO A 88 -9.520 -12.018 13.823 1.00 33.21 N ATOM 1445 CA PRO A 88 -8.317 -11.849 14.643 1.00 73.22 C ATOM 1446 C PRO A 88 -7.814 -13.170 15.213 1.00 21.45 C ATOM 1447 O PRO A 88 -8.501 -13.819 16.002 1.00 42.30 O ATOM 1448 CB PRO A 88 -8.782 -10.923 15.770 1.00 61.45 C ATOM 1449 CG PRO A 88 -10.251 -11.151 15.865 1.00 2.25 C ATOM 1450 CD PRO A 88 -10.716 -11.448 14.466 1.00 32.30 C ATOM 0 HA PRO A 88 -7.482 -11.453 14.065 1.00 73.22 H new ATOM 0 HB2 PRO A 88 -8.283 -11.161 16.709 1.00 61.45 H new ATOM 0 HB3 PRO A 88 -8.557 -9.881 15.544 1.00 61.45 H new ATOM 0 HG2 PRO A 88 -10.474 -11.981 16.535 1.00 2.25 H new ATOM 0 HG3 PRO A 88 -10.757 -10.273 16.266 1.00 2.25 H new ATOM 0 HD2 PRO A 88 -11.549 -12.151 14.460 1.00 32.30 H new ATOM 0 HD3 PRO A 88 -11.056 -10.547 13.956 1.00 32.30 H new ATOM 1458 N GLY A 89 -6.611 -13.566 14.810 1.00 44.13 N ATOM 1459 CA GLY A 89 -6.036 -14.808 15.292 1.00 72.44 C ATOM 1460 C GLY A 89 -6.064 -15.903 14.244 1.00 65.35 C ATOM 1461 O GLY A 89 -5.513 -16.984 14.452 1.00 63.13 O ATOM 0 H GLY A 89 -6.023 -13.048 14.157 1.00 44.13 H new ATOM 0 HA2 GLY A 89 -5.006 -14.632 15.602 1.00 72.44 H new ATOM 0 HA3 GLY A 89 -6.583 -15.140 16.175 1.00 72.44 H new ATOM 1465 N ALA A 90 -6.707 -15.625 13.115 1.00 50.12 N ATOM 1466 CA ALA A 90 -6.803 -16.595 12.030 1.00 2.33 C ATOM 1467 C ALA A 90 -5.535 -16.598 11.183 1.00 0.21 C ATOM 1468 O ALA A 90 -5.030 -15.543 10.803 1.00 73.14 O ATOM 1469 CB ALA A 90 -8.019 -16.300 11.165 1.00 52.42 C ATOM 0 H ALA A 90 -7.170 -14.736 12.927 1.00 50.12 H new ATOM 0 HA ALA A 90 -6.916 -17.586 12.470 1.00 2.33 H new ATOM 0 HB1 ALA A 90 -8.078 -17.032 10.359 1.00 52.42 H new ATOM 0 HB2 ALA A 90 -8.921 -16.357 11.774 1.00 52.42 H new ATOM 0 HB3 ALA A 90 -7.930 -15.300 10.741 1.00 52.42 H new ATOM 1475 N GLN A 91 -5.027 -17.792 10.892 1.00 51.23 N ATOM 1476 CA GLN A 91 -3.817 -17.931 10.090 1.00 42.21 C ATOM 1477 C GLN A 91 -4.100 -18.704 8.807 1.00 71.32 C ATOM 1478 O GLN A 91 -3.531 -19.769 8.575 1.00 65.41 O ATOM 1479 CB GLN A 91 -2.725 -18.637 10.895 1.00 43.22 C ATOM 1480 CG GLN A 91 -1.837 -17.685 11.682 1.00 72.50 C ATOM 1481 CD GLN A 91 -0.849 -18.411 12.573 1.00 23.42 C ATOM 1482 OE1 GLN A 91 -0.002 -19.166 12.095 1.00 31.32 O ATOM 1483 NE2 GLN A 91 -0.953 -18.187 13.878 1.00 41.33 N ATOM 0 H GLN A 91 -5.434 -18.675 11.199 1.00 51.23 H new ATOM 0 HA GLN A 91 -3.472 -16.932 9.822 1.00 42.21 H new ATOM 0 HB2 GLN A 91 -3.191 -19.340 11.585 1.00 43.22 H new ATOM 0 HB3 GLN A 91 -2.105 -19.221 10.215 1.00 43.22 H new ATOM 0 HG2 GLN A 91 -1.292 -17.045 10.988 1.00 72.50 H new ATOM 0 HG3 GLN A 91 -2.461 -17.034 12.293 1.00 72.50 H new ATOM 0 HE21 GLN A 91 -1.670 -17.553 14.231 1.00 41.33 H new ATOM 0 HE22 GLN A 91 -0.316 -18.649 14.527 1.00 41.33 H new ATOM 1492 N ASN A 92 -4.985 -18.161 7.977 1.00 40.24 N ATOM 1493 CA ASN A 92 -5.345 -18.802 6.717 1.00 44.51 C ATOM 1494 C ASN A 92 -5.751 -17.764 5.676 1.00 52.35 C ATOM 1495 O ASN A 92 -6.100 -16.632 6.016 1.00 62.11 O ATOM 1496 CB ASN A 92 -6.486 -19.796 6.934 1.00 32.12 C ATOM 1497 CG ASN A 92 -6.080 -20.958 7.821 1.00 42.23 C ATOM 1498 OD1 ASN A 92 -6.067 -20.728 9.128 1.00 12.44 O flip ATOM 1499 ND2 ASN A 92 -5.781 -22.049 7.335 1.00 15.53 N flip ATOM 0 H ASN A 92 -5.466 -17.279 8.154 1.00 40.24 H new ATOM 0 HA ASN A 92 -4.471 -19.338 6.348 1.00 44.51 H new ATOM 0 HB2 ASN A 92 -7.334 -19.279 7.383 1.00 32.12 H new ATOM 0 HB3 ASN A 92 -6.820 -20.178 5.969 1.00 32.12 H new ATOM 0 HD21 ASN A 92 -5.805 -22.181 6.324 1.00 15.53 H new ATOM 0 HD22 ASN A 92 -5.509 -22.821 7.944 1.00 15.53 H new ATOM 1506 N ILE A 93 -5.705 -18.156 4.407 1.00 14.13 N ATOM 1507 CA ILE A 93 -6.071 -17.260 3.317 1.00 42.02 C ATOM 1508 C ILE A 93 -7.287 -17.782 2.561 1.00 74.23 C ATOM 1509 O ILE A 93 -7.883 -17.069 1.753 1.00 4.33 O ATOM 1510 CB ILE A 93 -4.906 -17.075 2.327 1.00 41.31 C ATOM 1511 CG1 ILE A 93 -4.152 -18.394 2.138 1.00 55.51 C ATOM 1512 CG2 ILE A 93 -3.963 -15.985 2.816 1.00 33.21 C ATOM 1513 CD1 ILE A 93 -3.115 -18.344 1.038 1.00 33.43 C ATOM 0 H ILE A 93 -5.418 -19.088 4.109 1.00 14.13 H new ATOM 0 HA ILE A 93 -6.312 -16.297 3.767 1.00 42.02 H new ATOM 0 HB ILE A 93 -5.314 -16.771 1.363 1.00 41.31 H new ATOM 0 HG12 ILE A 93 -3.664 -18.662 3.075 1.00 55.51 H new ATOM 0 HG13 ILE A 93 -4.869 -19.184 1.915 1.00 55.51 H new ATOM 0 HG21 ILE A 93 -3.145 -15.866 2.106 1.00 33.21 H new ATOM 0 HG22 ILE A 93 -4.508 -15.045 2.903 1.00 33.21 H new ATOM 0 HG23 ILE A 93 -3.560 -16.262 3.790 1.00 33.21 H new ATOM 0 HD11 ILE A 93 -2.620 -19.312 0.960 1.00 33.43 H new ATOM 0 HD12 ILE A 93 -3.600 -18.107 0.091 1.00 33.43 H new ATOM 0 HD13 ILE A 93 -2.376 -17.576 1.269 1.00 33.43 H new ATOM 1525 N SER A 94 -7.653 -19.032 2.829 1.00 0.31 N ATOM 1526 CA SER A 94 -8.798 -19.650 2.173 1.00 33.43 C ATOM 1527 C SER A 94 -10.108 -19.107 2.738 1.00 1.11 C ATOM 1528 O SER A 94 -10.958 -18.612 1.999 1.00 43.11 O ATOM 1529 CB SER A 94 -8.750 -21.170 2.341 1.00 2.05 C ATOM 1530 OG SER A 94 -7.547 -21.704 1.814 1.00 53.44 O ATOM 0 H SER A 94 -7.173 -19.636 3.496 1.00 0.31 H new ATOM 0 HA SER A 94 -8.751 -19.406 1.112 1.00 33.43 H new ATOM 0 HB2 SER A 94 -8.833 -21.425 3.398 1.00 2.05 H new ATOM 0 HB3 SER A 94 -9.604 -21.622 1.836 1.00 2.05 H new ATOM 0 HG SER A 94 -7.540 -22.676 1.935 1.00 53.44 H new ATOM 1536 N ASN A 95 -10.262 -19.204 4.055 1.00 63.05 N ATOM 1537 CA ASN A 95 -11.467 -18.724 4.721 1.00 1.20 C ATOM 1538 C ASN A 95 -11.155 -17.526 5.613 1.00 61.35 C ATOM 1539 O ASN A 95 -11.601 -17.457 6.758 1.00 34.34 O ATOM 1540 CB ASN A 95 -12.097 -19.843 5.552 1.00 1.15 C ATOM 1541 CG ASN A 95 -13.603 -19.707 5.660 1.00 52.53 C ATOM 1542 OD1 ASN A 95 -14.148 -18.610 5.536 1.00 54.23 O ATOM 1543 ND2 ASN A 95 -14.283 -20.823 5.892 1.00 51.34 N ATOM 0 H ASN A 95 -9.567 -19.611 4.682 1.00 63.05 H new ATOM 0 HA ASN A 95 -12.174 -18.409 3.954 1.00 1.20 H new ATOM 0 HB2 ASN A 95 -11.853 -20.806 5.103 1.00 1.15 H new ATOM 0 HB3 ASN A 95 -11.662 -19.838 6.551 1.00 1.15 H new ATOM 0 HD21 ASN A 95 -15.299 -20.793 5.974 1.00 51.34 H new ATOM 0 HD22 ASN A 95 -13.789 -21.710 5.988 1.00 51.34 H new ATOM 1550 N CYS A 96 -10.385 -16.583 5.080 1.00 11.23 N ATOM 1551 CA CYS A 96 -10.013 -15.387 5.826 1.00 24.40 C ATOM 1552 C CYS A 96 -10.957 -14.231 5.509 1.00 1.11 C ATOM 1553 O CYS A 96 -10.887 -13.637 4.433 1.00 11.43 O ATOM 1554 CB CYS A 96 -8.572 -14.987 5.503 1.00 51.32 C ATOM 1555 SG CYS A 96 -7.701 -14.169 6.877 1.00 51.52 S ATOM 0 H CYS A 96 -10.006 -16.624 4.134 1.00 11.23 H new ATOM 0 HA CYS A 96 -10.091 -15.614 6.889 1.00 24.40 H new ATOM 0 HB2 CYS A 96 -8.015 -15.878 5.213 1.00 51.32 H new ATOM 0 HB3 CYS A 96 -8.576 -14.320 4.641 1.00 51.32 H new ATOM 1560 N ARG A 97 -11.839 -13.919 6.452 1.00 51.41 N ATOM 1561 CA ARG A 97 -12.798 -12.835 6.273 1.00 22.34 C ATOM 1562 C ARG A 97 -12.118 -11.477 6.424 1.00 34.24 C ATOM 1563 O ARG A 97 -11.139 -11.340 7.159 1.00 52.30 O ATOM 1564 CB ARG A 97 -13.937 -12.962 7.285 1.00 74.51 C ATOM 1565 CG ARG A 97 -14.764 -14.227 7.116 1.00 14.22 C ATOM 1566 CD ARG A 97 -16.076 -14.141 7.880 1.00 73.24 C ATOM 1567 NE ARG A 97 -16.795 -15.413 7.878 1.00 51.32 N ATOM 1568 CZ ARG A 97 -16.369 -16.499 8.514 1.00 0.21 C ATOM 1569 NH1 ARG A 97 -15.234 -16.467 9.200 1.00 73.44 N ATOM 1570 NH2 ARG A 97 -17.078 -17.619 8.466 1.00 15.00 N ATOM 0 H ARG A 97 -11.910 -14.401 7.348 1.00 51.41 H new ATOM 0 HA ARG A 97 -13.207 -12.907 5.265 1.00 22.34 H new ATOM 0 HB2 ARG A 97 -13.521 -12.942 8.292 1.00 74.51 H new ATOM 0 HB3 ARG A 97 -14.591 -12.095 7.193 1.00 74.51 H new ATOM 0 HG2 ARG A 97 -14.968 -14.391 6.058 1.00 14.22 H new ATOM 0 HG3 ARG A 97 -14.193 -15.086 7.467 1.00 14.22 H new ATOM 0 HD2 ARG A 97 -15.878 -13.838 8.908 1.00 73.24 H new ATOM 0 HD3 ARG A 97 -16.704 -13.369 7.436 1.00 73.24 H new ATOM 0 HE ARG A 97 -17.672 -15.470 7.360 1.00 51.32 H new ATOM 0 HH11 ARG A 97 -14.686 -15.607 9.240 1.00 73.44 H new ATOM 0 HH12 ARG A 97 -14.909 -17.302 9.687 1.00 73.44 H new ATOM 0 HH21 ARG A 97 -17.952 -17.647 7.940 1.00 15.00 H new ATOM 0 HH22 ARG A 97 -16.750 -18.452 8.955 1.00 15.00 H new ATOM 1584 N TYR A 98 -12.643 -10.478 5.725 1.00 51.24 N ATOM 1585 CA TYR A 98 -12.086 -9.132 5.778 1.00 42.50 C ATOM 1586 C TYR A 98 -13.193 -8.082 5.762 1.00 71.51 C ATOM 1587 O TYR A 98 -14.326 -8.366 5.375 1.00 71.41 O ATOM 1588 CB TYR A 98 -11.134 -8.904 4.602 1.00 35.35 C ATOM 1589 CG TYR A 98 -9.727 -9.394 4.859 1.00 45.11 C ATOM 1590 CD1 TYR A 98 -8.787 -8.576 5.474 1.00 74.20 C ATOM 1591 CD2 TYR A 98 -9.337 -10.673 4.484 1.00 21.23 C ATOM 1592 CE1 TYR A 98 -7.500 -9.019 5.710 1.00 44.02 C ATOM 1593 CE2 TYR A 98 -8.052 -11.126 4.717 1.00 14.51 C ATOM 1594 CZ TYR A 98 -7.137 -10.295 5.330 1.00 75.14 C ATOM 1595 OH TYR A 98 -5.856 -10.740 5.562 1.00 15.35 O ATOM 0 H TYR A 98 -13.454 -10.575 5.114 1.00 51.24 H new ATOM 0 HA TYR A 98 -11.531 -9.033 6.711 1.00 42.50 H new ATOM 0 HB2 TYR A 98 -11.530 -9.409 3.721 1.00 35.35 H new ATOM 0 HB3 TYR A 98 -11.103 -7.839 4.372 1.00 35.35 H new ATOM 0 HD1 TYR A 98 -9.067 -7.577 5.773 1.00 74.20 H new ATOM 0 HD2 TYR A 98 -10.050 -11.325 4.002 1.00 21.23 H new ATOM 0 HE1 TYR A 98 -6.782 -8.370 6.189 1.00 44.02 H new ATOM 0 HE2 TYR A 98 -7.766 -12.124 4.421 1.00 14.51 H new ATOM 0 HH TYR A 98 -5.778 -11.675 5.279 1.00 15.35 H new ATOM 1605 N ALA A 99 -12.855 -6.869 6.185 1.00 30.13 N ATOM 1606 CA ALA A 99 -13.819 -5.775 6.216 1.00 4.23 C ATOM 1607 C ALA A 99 -13.551 -4.774 5.098 1.00 24.11 C ATOM 1608 O ALA A 99 -12.449 -4.719 4.553 1.00 40.00 O ATOM 1609 CB ALA A 99 -13.783 -5.080 7.570 1.00 74.03 C ATOM 0 H ALA A 99 -11.922 -6.618 6.511 1.00 30.13 H new ATOM 0 HA ALA A 99 -14.813 -6.194 6.060 1.00 4.23 H new ATOM 0 HB1 ALA A 99 -14.507 -4.265 7.580 1.00 74.03 H new ATOM 0 HB2 ALA A 99 -14.031 -5.796 8.353 1.00 74.03 H new ATOM 0 HB3 ALA A 99 -12.785 -4.680 7.747 1.00 74.03 H new ATOM 1615 N ASP A 100 -14.566 -3.986 4.760 1.00 24.50 N ATOM 1616 CA ASP A 100 -14.439 -2.986 3.706 1.00 62.41 C ATOM 1617 C ASP A 100 -14.879 -1.613 4.204 1.00 65.23 C ATOM 1618 O ASP A 100 -15.898 -1.484 4.881 1.00 61.55 O ATOM 1619 CB ASP A 100 -15.271 -3.392 2.487 1.00 2.54 C ATOM 1620 CG ASP A 100 -14.481 -4.229 1.500 1.00 35.33 C ATOM 1621 OD1 ASP A 100 -13.345 -3.835 1.163 1.00 31.43 O ATOM 1622 OD2 ASP A 100 -15.001 -5.278 1.065 1.00 2.14 O ATOM 0 H ASP A 100 -15.485 -4.020 5.200 1.00 24.50 H new ATOM 0 HA ASP A 100 -13.390 -2.928 3.417 1.00 62.41 H new ATOM 0 HB2 ASP A 100 -16.145 -3.954 2.818 1.00 2.54 H new ATOM 0 HB3 ASP A 100 -15.639 -2.496 1.987 1.00 2.54 H new ATOM 1627 N ARG A 101 -14.100 -0.590 3.865 1.00 75.31 N ATOM 1628 CA ARG A 101 -14.408 0.773 4.278 1.00 11.54 C ATOM 1629 C ARG A 101 -13.894 1.781 3.256 1.00 54.35 C ATOM 1630 O ARG A 101 -12.697 2.054 3.163 1.00 33.14 O ATOM 1631 CB ARG A 101 -13.794 1.064 5.649 1.00 24.32 C ATOM 1632 CG ARG A 101 -14.587 2.065 6.473 1.00 64.01 C ATOM 1633 CD ARG A 101 -15.911 1.478 6.938 1.00 2.54 C ATOM 1634 NE ARG A 101 -16.729 2.465 7.639 1.00 75.34 N ATOM 1635 CZ ARG A 101 -18.010 2.277 7.937 1.00 14.13 C ATOM 1636 NH1 ARG A 101 -18.615 1.146 7.601 1.00 65.22 N ATOM 1637 NH2 ARG A 101 -18.689 3.222 8.575 1.00 20.13 N ATOM 0 H ARG A 101 -13.252 -0.680 3.306 1.00 75.31 H new ATOM 0 HA ARG A 101 -15.492 0.869 4.344 1.00 11.54 H new ATOM 0 HB2 ARG A 101 -13.713 0.131 6.207 1.00 24.32 H new ATOM 0 HB3 ARG A 101 -12.781 1.442 5.511 1.00 24.32 H new ATOM 0 HG2 ARG A 101 -14.000 2.372 7.338 1.00 64.01 H new ATOM 0 HG3 ARG A 101 -14.773 2.960 5.880 1.00 64.01 H new ATOM 0 HD2 ARG A 101 -16.461 1.096 6.078 1.00 2.54 H new ATOM 0 HD3 ARG A 101 -15.721 0.631 7.597 1.00 2.54 H new ATOM 0 HE ARG A 101 -16.293 3.345 7.914 1.00 75.34 H new ATOM 0 HH11 ARG A 101 -18.097 0.416 7.112 1.00 65.22 H new ATOM 0 HH12 ARG A 101 -19.599 1.006 7.832 1.00 65.22 H new ATOM 0 HH21 ARG A 101 -18.227 4.093 8.837 1.00 20.13 H new ATOM 0 HH22 ARG A 101 -19.672 3.077 8.804 1.00 20.13 H new ATOM 1651 N PRO A 102 -14.820 2.349 2.467 1.00 4.11 N ATOM 1652 CA PRO A 102 -14.484 3.336 1.437 1.00 65.32 C ATOM 1653 C PRO A 102 -14.033 4.665 2.031 1.00 14.54 C ATOM 1654 O PRO A 102 -14.491 5.065 3.102 1.00 74.54 O ATOM 1655 CB PRO A 102 -15.797 3.510 0.671 1.00 53.32 C ATOM 1656 CG PRO A 102 -16.858 3.144 1.650 1.00 14.33 C ATOM 1657 CD PRO A 102 -16.264 2.071 2.522 1.00 14.32 C ATOM 0 HA PRO A 102 -13.652 3.008 0.815 1.00 65.32 H new ATOM 0 HB2 PRO A 102 -15.918 4.535 0.321 1.00 53.32 H new ATOM 0 HB3 PRO A 102 -15.831 2.867 -0.208 1.00 53.32 H new ATOM 0 HG2 PRO A 102 -17.157 4.008 2.243 1.00 14.33 H new ATOM 0 HG3 PRO A 102 -17.751 2.783 1.141 1.00 14.33 H new ATOM 0 HD2 PRO A 102 -16.645 2.125 3.542 1.00 14.32 H new ATOM 0 HD3 PRO A 102 -16.496 1.074 2.147 1.00 14.32 H new ATOM 1665 N GLY A 103 -13.132 5.348 1.332 1.00 73.40 N ATOM 1666 CA GLY A 103 -12.635 6.626 1.807 1.00 1.30 C ATOM 1667 C GLY A 103 -11.807 7.350 0.764 1.00 5.25 C ATOM 1668 O GLY A 103 -11.462 6.779 -0.270 1.00 64.04 O ATOM 0 H GLY A 103 -12.737 5.039 0.444 1.00 73.40 H new ATOM 0 HA2 GLY A 103 -13.477 7.254 2.098 1.00 1.30 H new ATOM 0 HA3 GLY A 103 -12.031 6.468 2.700 1.00 1.30 H new ATOM 1672 N ARG A 104 -11.487 8.611 1.036 1.00 42.13 N ATOM 1673 CA ARG A 104 -10.696 9.415 0.112 1.00 32.24 C ATOM 1674 C ARG A 104 -9.843 10.430 0.867 1.00 1.00 C ATOM 1675 O ARG A 104 -10.359 11.408 1.410 1.00 30.52 O ATOM 1676 CB ARG A 104 -11.610 10.137 -0.879 1.00 54.24 C ATOM 1677 CG ARG A 104 -10.916 11.252 -1.646 1.00 14.32 C ATOM 1678 CD ARG A 104 -11.879 11.969 -2.580 1.00 70.52 C ATOM 1679 NE ARG A 104 -12.290 11.122 -3.698 1.00 5.52 N ATOM 1680 CZ ARG A 104 -13.293 10.255 -3.633 1.00 32.15 C ATOM 1681 NH1 ARG A 104 -13.986 10.121 -2.509 1.00 64.41 N ATOM 1682 NH2 ARG A 104 -13.606 9.520 -4.692 1.00 25.23 N ATOM 0 H ARG A 104 -11.763 9.098 1.889 1.00 42.13 H new ATOM 0 HA ARG A 104 -10.033 8.746 -0.437 1.00 32.24 H new ATOM 0 HB2 ARG A 104 -12.007 9.412 -1.589 1.00 54.24 H new ATOM 0 HB3 ARG A 104 -12.460 10.553 -0.339 1.00 54.24 H new ATOM 0 HG2 ARG A 104 -10.489 11.967 -0.943 1.00 14.32 H new ATOM 0 HG3 ARG A 104 -10.089 10.838 -2.222 1.00 14.32 H new ATOM 0 HD2 ARG A 104 -12.760 12.284 -2.021 1.00 70.52 H new ATOM 0 HD3 ARG A 104 -11.406 12.873 -2.964 1.00 70.52 H new ATOM 0 HE ARG A 104 -11.778 11.202 -4.577 1.00 5.52 H new ATOM 0 HH11 ARG A 104 -13.748 10.685 -1.693 1.00 64.41 H new ATOM 0 HH12 ARG A 104 -14.756 9.454 -2.461 1.00 64.41 H new ATOM 0 HH21 ARG A 104 -13.076 9.621 -5.557 1.00 25.23 H new ATOM 0 HH22 ARG A 104 -14.377 8.854 -4.641 1.00 25.23 H new ATOM 1696 N ARG A 105 -8.537 10.191 0.898 1.00 65.01 N ATOM 1697 CA ARG A 105 -7.612 11.083 1.588 1.00 11.05 C ATOM 1698 C ARG A 105 -6.176 10.828 1.142 1.00 21.33 C ATOM 1699 O ARG A 105 -5.925 10.013 0.254 1.00 22.44 O ATOM 1700 CB ARG A 105 -7.728 10.899 3.103 1.00 64.55 C ATOM 1701 CG ARG A 105 -8.736 11.831 3.754 1.00 1.13 C ATOM 1702 CD ARG A 105 -8.546 13.268 3.293 1.00 62.32 C ATOM 1703 NE ARG A 105 -9.021 14.228 4.284 1.00 3.40 N ATOM 1704 CZ ARG A 105 -8.577 15.477 4.369 1.00 44.52 C ATOM 1705 NH1 ARG A 105 -7.651 15.914 3.526 1.00 74.23 N ATOM 1706 NH2 ARG A 105 -9.058 16.293 5.299 1.00 3.02 N ATOM 0 H ARG A 105 -8.094 9.387 0.453 1.00 65.01 H new ATOM 0 HA ARG A 105 -7.876 12.109 1.332 1.00 11.05 H new ATOM 0 HB2 ARG A 105 -8.010 9.868 3.315 1.00 64.55 H new ATOM 0 HB3 ARG A 105 -6.750 11.062 3.556 1.00 64.55 H new ATOM 0 HG2 ARG A 105 -9.747 11.501 3.513 1.00 1.13 H new ATOM 0 HG3 ARG A 105 -8.634 11.779 4.838 1.00 1.13 H new ATOM 0 HD2 ARG A 105 -7.490 13.447 3.092 1.00 62.32 H new ATOM 0 HD3 ARG A 105 -9.080 13.421 2.355 1.00 62.32 H new ATOM 0 HE ARG A 105 -9.733 13.923 4.948 1.00 3.40 H new ATOM 0 HH11 ARG A 105 -7.278 15.290 2.810 1.00 74.23 H new ATOM 0 HH12 ARG A 105 -7.312 16.874 3.594 1.00 74.23 H new ATOM 0 HH21 ARG A 105 -9.770 15.961 5.950 1.00 3.02 H new ATOM 0 HH22 ARG A 105 -8.716 17.252 5.363 1.00 3.02 H new ATOM 1720 N PHE A 106 -5.236 11.531 1.764 1.00 5.24 N ATOM 1721 CA PHE A 106 -3.823 11.383 1.431 1.00 30.40 C ATOM 1722 C PHE A 106 -3.285 10.044 1.928 1.00 43.31 C ATOM 1723 O PHE A 106 -3.987 9.294 2.606 1.00 65.44 O ATOM 1724 CB PHE A 106 -3.011 12.530 2.037 1.00 24.01 C ATOM 1725 CG PHE A 106 -3.651 13.877 1.859 1.00 61.25 C ATOM 1726 CD1 PHE A 106 -3.688 14.481 0.613 1.00 50.34 C ATOM 1727 CD2 PHE A 106 -4.214 14.538 2.938 1.00 71.13 C ATOM 1728 CE1 PHE A 106 -4.276 15.722 0.446 1.00 25.30 C ATOM 1729 CE2 PHE A 106 -4.804 15.778 2.777 1.00 60.20 C ATOM 1730 CZ PHE A 106 -4.834 16.371 1.530 1.00 63.31 C ATOM 0 H PHE A 106 -5.426 12.209 2.502 1.00 5.24 H new ATOM 0 HA PHE A 106 -3.726 11.413 0.346 1.00 30.40 H new ATOM 0 HB2 PHE A 106 -2.869 12.342 3.101 1.00 24.01 H new ATOM 0 HB3 PHE A 106 -2.021 12.544 1.581 1.00 24.01 H new ATOM 0 HD1 PHE A 106 -3.253 13.977 -0.238 1.00 50.34 H new ATOM 0 HD2 PHE A 106 -4.192 14.080 3.916 1.00 71.13 H new ATOM 0 HE1 PHE A 106 -4.299 16.183 -0.531 1.00 25.30 H new ATOM 0 HE2 PHE A 106 -5.241 16.283 3.626 1.00 60.20 H new ATOM 0 HZ PHE A 106 -5.293 17.340 1.403 1.00 63.31 H new ATOM 1740 N TYR A 107 -2.035 9.753 1.585 1.00 53.32 N ATOM 1741 CA TYR A 107 -1.402 8.505 1.994 1.00 62.22 C ATOM 1742 C TYR A 107 0.080 8.716 2.289 1.00 32.12 C ATOM 1743 O TYR A 107 0.783 9.400 1.544 1.00 34.21 O ATOM 1744 CB TYR A 107 -1.570 7.443 0.905 1.00 33.22 C ATOM 1745 CG TYR A 107 -1.245 7.944 -0.484 1.00 55.31 C ATOM 1746 CD1 TYR A 107 0.070 8.169 -0.874 1.00 0.14 C ATOM 1747 CD2 TYR A 107 -2.253 8.195 -1.408 1.00 24.44 C ATOM 1748 CE1 TYR A 107 0.371 8.628 -2.141 1.00 64.23 C ATOM 1749 CE2 TYR A 107 -1.961 8.652 -2.678 1.00 33.01 C ATOM 1750 CZ TYR A 107 -0.648 8.867 -3.040 1.00 45.20 C ATOM 1751 OH TYR A 107 -0.352 9.324 -4.304 1.00 33.52 O ATOM 0 H TYR A 107 -1.440 10.364 1.025 1.00 53.32 H new ATOM 0 HA TYR A 107 -1.890 8.162 2.906 1.00 62.22 H new ATOM 0 HB2 TYR A 107 -0.927 6.593 1.135 1.00 33.22 H new ATOM 0 HB3 TYR A 107 -2.597 7.079 0.920 1.00 33.22 H new ATOM 0 HD1 TYR A 107 0.870 7.982 -0.174 1.00 0.14 H new ATOM 0 HD2 TYR A 107 -3.283 8.030 -1.128 1.00 24.44 H new ATOM 0 HE1 TYR A 107 1.398 8.799 -2.427 1.00 64.23 H new ATOM 0 HE2 TYR A 107 -2.757 8.840 -3.384 1.00 33.01 H new ATOM 0 HH TYR A 107 -1.182 9.440 -4.812 1.00 33.52 H new ATOM 1761 N VAL A 108 0.549 8.123 3.382 1.00 1.23 N ATOM 1762 CA VAL A 108 1.947 8.244 3.777 1.00 11.21 C ATOM 1763 C VAL A 108 2.747 7.019 3.348 1.00 12.23 C ATOM 1764 O VAL A 108 2.641 5.951 3.953 1.00 53.22 O ATOM 1765 CB VAL A 108 2.086 8.427 5.300 1.00 24.11 C ATOM 1766 CG1 VAL A 108 3.532 8.233 5.732 1.00 45.12 C ATOM 1767 CG2 VAL A 108 1.574 9.796 5.721 1.00 43.31 C ATOM 0 H VAL A 108 -0.019 7.554 4.010 1.00 1.23 H new ATOM 0 HA VAL A 108 2.343 9.127 3.275 1.00 11.21 H new ATOM 0 HB VAL A 108 1.479 7.669 5.796 1.00 24.11 H new ATOM 0 HG11 VAL A 108 3.610 8.366 6.811 1.00 45.12 H new ATOM 0 HG12 VAL A 108 3.860 7.228 5.466 1.00 45.12 H new ATOM 0 HG13 VAL A 108 4.163 8.966 5.229 1.00 45.12 H new ATOM 0 HG21 VAL A 108 1.680 9.908 6.800 1.00 43.31 H new ATOM 0 HG22 VAL A 108 2.152 10.571 5.217 1.00 43.31 H new ATOM 0 HG23 VAL A 108 0.523 9.891 5.448 1.00 43.31 H new ATOM 1777 N VAL A 109 3.549 7.179 2.300 1.00 14.34 N ATOM 1778 CA VAL A 109 4.369 6.087 1.791 1.00 23.24 C ATOM 1779 C VAL A 109 5.854 6.399 1.938 1.00 52.31 C ATOM 1780 O VAL A 109 6.312 7.478 1.564 1.00 54.32 O ATOM 1781 CB VAL A 109 4.061 5.797 0.310 1.00 31.22 C ATOM 1782 CG1 VAL A 109 2.602 6.099 -0.001 1.00 3.24 C ATOM 1783 CG2 VAL A 109 4.985 6.601 -0.593 1.00 33.41 C ATOM 0 H VAL A 109 3.648 8.055 1.787 1.00 14.34 H new ATOM 0 HA VAL A 109 4.126 5.206 2.385 1.00 23.24 H new ATOM 0 HB VAL A 109 4.236 4.738 0.120 1.00 31.22 H new ATOM 0 HG11 VAL A 109 2.403 5.888 -1.052 1.00 3.24 H new ATOM 0 HG12 VAL A 109 1.961 5.476 0.622 1.00 3.24 H new ATOM 0 HG13 VAL A 109 2.396 7.150 0.204 1.00 3.24 H new ATOM 0 HG21 VAL A 109 4.754 6.384 -1.636 1.00 33.41 H new ATOM 0 HG22 VAL A 109 4.843 7.665 -0.404 1.00 33.41 H new ATOM 0 HG23 VAL A 109 6.021 6.331 -0.387 1.00 33.41 H new ATOM 1793 N ALA A 110 6.602 5.447 2.486 1.00 75.25 N ATOM 1794 CA ALA A 110 8.037 5.619 2.680 1.00 15.51 C ATOM 1795 C ALA A 110 8.807 5.281 1.408 1.00 23.33 C ATOM 1796 O ALA A 110 9.014 4.109 1.090 1.00 50.04 O ATOM 1797 CB ALA A 110 8.519 4.759 3.838 1.00 11.23 C ATOM 0 H ALA A 110 6.238 4.549 2.804 1.00 75.25 H new ATOM 0 HA ALA A 110 8.225 6.666 2.918 1.00 15.51 H new ATOM 0 HB1 ALA A 110 9.592 4.897 3.972 1.00 11.23 H new ATOM 0 HB2 ALA A 110 7.999 5.052 4.750 1.00 11.23 H new ATOM 0 HB3 ALA A 110 8.312 3.711 3.623 1.00 11.23 H new ATOM 1803 N CYS A 111 9.230 6.312 0.686 1.00 51.43 N ATOM 1804 CA CYS A 111 9.977 6.125 -0.552 1.00 32.42 C ATOM 1805 C CYS A 111 11.476 6.066 -0.278 1.00 43.45 C ATOM 1806 O CYS A 111 12.010 6.867 0.490 1.00 21.35 O ATOM 1807 CB CYS A 111 9.670 7.256 -1.535 1.00 52.21 C ATOM 1808 SG CYS A 111 7.946 7.843 -1.477 1.00 41.34 S ATOM 0 H CYS A 111 9.068 7.287 0.937 1.00 51.43 H new ATOM 0 HA CYS A 111 9.668 5.177 -0.993 1.00 32.42 H new ATOM 0 HB2 CYS A 111 10.335 8.094 -1.327 1.00 52.21 H new ATOM 0 HB3 CYS A 111 9.893 6.915 -2.546 1.00 52.21 H new ATOM 1813 N ASP A 112 12.152 5.114 -0.913 1.00 41.42 N ATOM 1814 CA ASP A 112 13.591 4.952 -0.739 1.00 14.03 C ATOM 1815 C ASP A 112 14.249 4.512 -2.043 1.00 1.32 C ATOM 1816 O ASP A 112 13.569 4.168 -3.008 1.00 31.00 O ATOM 1817 CB ASP A 112 13.882 3.933 0.363 1.00 10.00 C ATOM 1818 CG ASP A 112 15.164 4.240 1.112 1.00 13.05 C ATOM 1819 OD1 ASP A 112 15.561 5.423 1.149 1.00 72.22 O ATOM 1820 OD2 ASP A 112 15.769 3.296 1.662 1.00 13.34 O ATOM 0 H ASP A 112 11.726 4.443 -1.553 1.00 41.42 H new ATOM 0 HA ASP A 112 14.008 5.917 -0.449 1.00 14.03 H new ATOM 0 HB2 ASP A 112 13.049 3.915 1.066 1.00 10.00 H new ATOM 0 HB3 ASP A 112 13.950 2.937 -0.076 1.00 10.00 H new ATOM 1825 N ASN A 113 15.578 4.527 -2.064 1.00 10.15 N ATOM 1826 CA ASN A 113 16.329 4.131 -3.249 1.00 31.32 C ATOM 1827 C ASN A 113 15.904 2.744 -3.725 1.00 15.25 C ATOM 1828 O ASN A 113 16.126 1.746 -3.039 1.00 53.24 O ATOM 1829 CB ASN A 113 17.830 4.142 -2.956 1.00 0.41 C ATOM 1830 CG ASN A 113 18.662 3.837 -4.187 1.00 2.53 C ATOM 1831 OD1 ASN A 113 18.861 2.677 -4.543 1.00 24.55 O ATOM 1832 ND2 ASN A 113 19.154 4.883 -4.842 1.00 23.40 N ATOM 0 H ASN A 113 16.157 4.809 -1.273 1.00 10.15 H new ATOM 0 HA ASN A 113 16.114 4.850 -4.040 1.00 31.32 H new ATOM 0 HB2 ASN A 113 18.113 5.118 -2.562 1.00 0.41 H new ATOM 0 HB3 ASN A 113 18.051 3.409 -2.180 1.00 0.41 H new ATOM 0 HD21 ASN A 113 19.723 4.741 -5.677 1.00 23.40 H new ATOM 0 HD22 ASN A 113 18.963 5.828 -4.510 1.00 23.40 H new ATOM 1839 N ARG A 114 15.290 2.692 -4.902 1.00 63.55 N ATOM 1840 CA ARG A 114 14.833 1.429 -5.471 1.00 10.54 C ATOM 1841 C ARG A 114 15.806 0.927 -6.533 1.00 34.33 C ATOM 1842 O ARG A 114 16.793 1.590 -6.848 1.00 43.21 O ATOM 1843 CB ARG A 114 13.438 1.594 -6.076 1.00 65.55 C ATOM 1844 CG ARG A 114 13.455 1.989 -7.544 1.00 31.43 C ATOM 1845 CD ARG A 114 14.135 3.334 -7.751 1.00 21.24 C ATOM 1846 NE ARG A 114 14.303 3.649 -9.167 1.00 1.20 N ATOM 1847 CZ ARG A 114 15.353 3.265 -9.886 1.00 30.15 C ATOM 1848 NH1 ARG A 114 16.320 2.554 -9.324 1.00 21.42 N ATOM 1849 NH2 ARG A 114 15.435 3.591 -11.169 1.00 34.21 N ATOM 0 H ARG A 114 15.097 3.510 -5.481 1.00 63.55 H new ATOM 0 HA ARG A 114 14.788 0.692 -4.669 1.00 10.54 H new ATOM 0 HB2 ARG A 114 12.890 0.658 -5.966 1.00 65.55 H new ATOM 0 HB3 ARG A 114 12.893 2.350 -5.511 1.00 65.55 H new ATOM 0 HG2 ARG A 114 13.975 1.225 -8.122 1.00 31.43 H new ATOM 0 HG3 ARG A 114 12.434 2.034 -7.922 1.00 31.43 H new ATOM 0 HD2 ARG A 114 13.545 4.116 -7.273 1.00 21.24 H new ATOM 0 HD3 ARG A 114 15.110 3.327 -7.263 1.00 21.24 H new ATOM 0 HE ARG A 114 13.575 4.193 -9.630 1.00 1.20 H new ATOM 0 HH11 ARG A 114 16.259 2.300 -8.338 1.00 21.42 H new ATOM 0 HH12 ARG A 114 17.125 2.260 -9.878 1.00 21.42 H new ATOM 0 HH21 ARG A 114 14.692 4.137 -11.605 1.00 34.21 H new ATOM 0 HH22 ARG A 114 16.241 3.296 -11.720 1.00 34.21 H new ATOM 1863 N ASP A 115 15.518 -0.249 -7.082 1.00 41.43 N ATOM 1864 CA ASP A 115 16.367 -0.841 -8.109 1.00 50.25 C ATOM 1865 C ASP A 115 16.052 -0.251 -9.481 1.00 35.13 C ATOM 1866 O ASP A 115 14.903 0.056 -9.802 1.00 74.12 O ATOM 1867 CB ASP A 115 16.185 -2.358 -8.140 1.00 25.41 C ATOM 1868 CG ASP A 115 17.487 -3.093 -8.397 1.00 31.23 C ATOM 1869 OD1 ASP A 115 18.251 -3.300 -7.432 1.00 72.02 O ATOM 1870 OD2 ASP A 115 17.740 -3.460 -9.564 1.00 3.33 O ATOM 0 H ASP A 115 14.704 -0.810 -6.833 1.00 41.43 H new ATOM 0 HA ASP A 115 17.404 -0.612 -7.864 1.00 50.25 H new ATOM 0 HB2 ASP A 115 15.765 -2.690 -7.190 1.00 25.41 H new ATOM 0 HB3 ASP A 115 15.465 -2.619 -8.916 1.00 25.41 H new ATOM 1875 N PRO A 116 17.093 -0.086 -10.309 1.00 21.51 N ATOM 1876 CA PRO A 116 16.952 0.469 -11.659 1.00 20.42 C ATOM 1877 C PRO A 116 16.225 -0.483 -12.603 1.00 63.34 C ATOM 1878 O PRO A 116 16.106 -0.215 -13.799 1.00 2.11 O ATOM 1879 CB PRO A 116 18.400 0.669 -12.112 1.00 52.31 C ATOM 1880 CG PRO A 116 19.186 -0.316 -11.320 1.00 31.02 C ATOM 1881 CD PRO A 116 18.490 -0.430 -9.992 1.00 61.41 C ATOM 0 HA PRO A 116 16.359 1.383 -11.665 1.00 20.42 H new ATOM 0 HB2 PRO A 116 18.508 0.492 -13.182 1.00 52.31 H new ATOM 0 HB3 PRO A 116 18.737 1.688 -11.922 1.00 52.31 H new ATOM 0 HG2 PRO A 116 19.224 -1.281 -11.825 1.00 31.02 H new ATOM 0 HG3 PRO A 116 20.216 0.018 -11.193 1.00 31.02 H new ATOM 0 HD2 PRO A 116 18.573 -1.436 -9.580 1.00 61.41 H new ATOM 0 HD3 PRO A 116 18.915 0.252 -9.256 1.00 61.41 H new ATOM 1889 N ARG A 117 15.742 -1.595 -12.059 1.00 54.40 N ATOM 1890 CA ARG A 117 15.026 -2.586 -12.855 1.00 4.40 C ATOM 1891 C ARG A 117 13.564 -2.672 -12.430 1.00 51.14 C ATOM 1892 O ARG A 117 12.812 -3.512 -12.925 1.00 13.24 O ATOM 1893 CB ARG A 117 15.690 -3.957 -12.715 1.00 65.31 C ATOM 1894 CG ARG A 117 15.374 -4.656 -11.402 1.00 62.02 C ATOM 1895 CD ARG A 117 15.362 -6.168 -11.565 1.00 34.11 C ATOM 1896 NE ARG A 117 15.759 -6.854 -10.339 1.00 31.22 N ATOM 1897 CZ ARG A 117 15.732 -8.174 -10.193 1.00 15.42 C ATOM 1898 NH1 ARG A 117 15.328 -8.947 -11.192 1.00 53.21 N ATOM 1899 NH2 ARG A 117 16.109 -8.724 -9.046 1.00 12.30 N ATOM 0 H ARG A 117 15.833 -1.833 -11.071 1.00 54.40 H new ATOM 0 HA ARG A 117 15.065 -2.274 -13.899 1.00 4.40 H new ATOM 0 HB2 ARG A 117 15.370 -4.592 -13.541 1.00 65.31 H new ATOM 0 HB3 ARG A 117 16.770 -3.839 -12.803 1.00 65.31 H new ATOM 0 HG2 ARG A 117 16.114 -4.376 -10.652 1.00 62.02 H new ATOM 0 HG3 ARG A 117 14.404 -4.321 -11.034 1.00 62.02 H new ATOM 0 HD2 ARG A 117 14.363 -6.493 -11.855 1.00 34.11 H new ATOM 0 HD3 ARG A 117 16.036 -6.451 -12.373 1.00 34.11 H new ATOM 0 HE ARG A 117 16.075 -6.288 -9.551 1.00 31.22 H new ATOM 0 HH11 ARG A 117 15.037 -8.528 -12.075 1.00 53.21 H new ATOM 0 HH12 ARG A 117 15.308 -9.960 -11.077 1.00 53.21 H new ATOM 0 HH21 ARG A 117 16.420 -8.133 -8.275 1.00 12.30 H new ATOM 0 HH22 ARG A 117 16.088 -9.738 -8.935 1.00 12.30 H new ATOM 1913 N ASP A 118 13.168 -1.797 -11.511 1.00 72.34 N ATOM 1914 CA ASP A 118 11.794 -1.773 -11.021 1.00 51.55 C ATOM 1915 C ASP A 118 11.103 -0.469 -11.407 1.00 21.25 C ATOM 1916 O ASP A 118 9.981 -0.476 -11.914 1.00 64.44 O ATOM 1917 CB ASP A 118 11.771 -1.948 -9.501 1.00 72.32 C ATOM 1918 CG ASP A 118 12.324 -3.290 -9.065 1.00 34.11 C ATOM 1919 OD1 ASP A 118 12.049 -4.296 -9.750 1.00 31.41 O ATOM 1920 OD2 ASP A 118 13.031 -3.333 -8.036 1.00 24.11 O ATOM 0 H ASP A 118 13.778 -1.096 -11.091 1.00 72.34 H new ATOM 0 HA ASP A 118 11.253 -2.599 -11.483 1.00 51.55 H new ATOM 0 HB2 ASP A 118 12.352 -1.151 -9.037 1.00 72.32 H new ATOM 0 HB3 ASP A 118 10.747 -1.846 -9.142 1.00 72.32 H new ATOM 1925 N SER A 119 11.778 0.649 -11.160 1.00 71.41 N ATOM 1926 CA SER A 119 11.227 1.961 -11.476 1.00 73.45 C ATOM 1927 C SER A 119 12.233 2.799 -12.259 1.00 51.42 C ATOM 1928 O SER A 119 13.011 3.568 -11.694 1.00 21.34 O ATOM 1929 CB SER A 119 10.824 2.692 -10.194 1.00 71.12 C ATOM 1930 OG SER A 119 10.068 3.855 -10.485 1.00 63.13 O ATOM 0 H SER A 119 12.708 0.672 -10.742 1.00 71.41 H new ATOM 0 HA SER A 119 10.342 1.816 -12.095 1.00 73.45 H new ATOM 0 HB2 SER A 119 10.241 2.025 -9.560 1.00 71.12 H new ATOM 0 HB3 SER A 119 11.717 2.966 -9.632 1.00 71.12 H new ATOM 0 HG SER A 119 9.694 3.785 -11.388 1.00 63.13 H new ATOM 1936 N PRO A 120 12.219 2.649 -13.592 1.00 34.02 N ATOM 1937 CA PRO A 120 13.123 3.383 -14.482 1.00 55.51 C ATOM 1938 C PRO A 120 12.790 4.870 -14.547 1.00 2.01 C ATOM 1939 O PRO A 120 13.675 5.719 -14.441 1.00 31.25 O ATOM 1940 CB PRO A 120 12.894 2.723 -15.843 1.00 72.12 C ATOM 1941 CG PRO A 120 11.516 2.161 -15.766 1.00 12.13 C ATOM 1942 CD PRO A 120 11.317 1.750 -14.333 1.00 3.31 C ATOM 0 HA PRO A 120 14.157 3.338 -14.141 1.00 55.51 H new ATOM 0 HB2 PRO A 120 12.981 3.447 -16.653 1.00 72.12 H new ATOM 0 HB3 PRO A 120 13.630 1.942 -16.033 1.00 72.12 H new ATOM 0 HG2 PRO A 120 10.775 2.902 -16.066 1.00 12.13 H new ATOM 0 HG3 PRO A 120 11.404 1.308 -16.436 1.00 12.13 H new ATOM 0 HD2 PRO A 120 10.280 1.873 -14.020 1.00 3.31 H new ATOM 0 HD3 PRO A 120 11.575 0.703 -14.176 1.00 3.31 H new ATOM 1950 N ARG A 121 11.509 5.178 -14.724 1.00 2.22 N ATOM 1951 CA ARG A 121 11.060 6.562 -14.805 1.00 12.52 C ATOM 1952 C ARG A 121 11.310 7.292 -13.488 1.00 51.24 C ATOM 1953 O ARG A 121 11.808 8.418 -13.476 1.00 45.43 O ATOM 1954 CB ARG A 121 9.573 6.619 -15.156 1.00 74.21 C ATOM 1955 CG ARG A 121 8.676 5.968 -14.117 1.00 34.14 C ATOM 1956 CD ARG A 121 7.406 5.413 -14.745 1.00 22.24 C ATOM 1957 NE ARG A 121 6.907 4.244 -14.027 1.00 24.43 N ATOM 1958 CZ ARG A 121 5.904 3.487 -14.460 1.00 52.22 C ATOM 1959 NH1 ARG A 121 5.297 3.777 -15.603 1.00 4.50 N ATOM 1960 NH2 ARG A 121 5.508 2.439 -13.750 1.00 75.41 N ATOM 0 H ARG A 121 10.764 4.487 -14.814 1.00 2.22 H new ATOM 0 HA ARG A 121 11.631 7.057 -15.590 1.00 12.52 H new ATOM 0 HB2 ARG A 121 9.277 7.661 -15.277 1.00 74.21 H new ATOM 0 HB3 ARG A 121 9.416 6.129 -16.117 1.00 74.21 H new ATOM 0 HG2 ARG A 121 9.218 5.164 -13.619 1.00 34.14 H new ATOM 0 HG3 ARG A 121 8.415 6.698 -13.351 1.00 34.14 H new ATOM 0 HD2 ARG A 121 6.639 6.187 -14.755 1.00 22.24 H new ATOM 0 HD3 ARG A 121 7.602 5.145 -15.783 1.00 22.24 H new ATOM 0 HE ARG A 121 7.353 3.994 -13.144 1.00 24.43 H new ATOM 0 HH11 ARG A 121 5.600 4.582 -16.151 1.00 4.50 H new ATOM 0 HH12 ARG A 121 4.527 3.195 -15.934 1.00 4.50 H new ATOM 0 HH21 ARG A 121 5.973 2.213 -12.871 1.00 75.41 H new ATOM 0 HH22 ARG A 121 4.738 1.859 -14.083 1.00 75.41 H new ATOM 1974 N TYR A 122 10.960 6.645 -12.383 1.00 2.41 N ATOM 1975 CA TYR A 122 11.144 7.234 -11.062 1.00 22.12 C ATOM 1976 C TYR A 122 12.346 6.617 -10.353 1.00 10.41 C ATOM 1977 O TYR A 122 12.479 5.398 -10.248 1.00 24.21 O ATOM 1978 CB TYR A 122 9.885 7.041 -10.215 1.00 51.12 C ATOM 1979 CG TYR A 122 8.602 7.103 -11.014 1.00 41.14 C ATOM 1980 CD1 TYR A 122 8.152 8.303 -11.551 1.00 1.41 C ATOM 1981 CD2 TYR A 122 7.841 5.961 -11.233 1.00 45.40 C ATOM 1982 CE1 TYR A 122 6.981 8.364 -12.281 1.00 3.22 C ATOM 1983 CE2 TYR A 122 6.670 6.013 -11.963 1.00 33.33 C ATOM 1984 CZ TYR A 122 6.243 7.217 -12.485 1.00 5.34 C ATOM 1985 OH TYR A 122 5.077 7.274 -13.212 1.00 32.53 O ATOM 0 H TYR A 122 10.547 5.712 -12.375 1.00 2.41 H new ATOM 0 HA TYR A 122 11.328 8.301 -11.190 1.00 22.12 H new ATOM 0 HB2 TYR A 122 9.942 6.077 -9.709 1.00 51.12 H new ATOM 0 HB3 TYR A 122 9.858 7.807 -9.440 1.00 51.12 H new ATOM 0 HD1 TYR A 122 8.728 9.203 -11.395 1.00 1.41 H new ATOM 0 HD2 TYR A 122 8.171 5.017 -10.825 1.00 45.40 H new ATOM 0 HE1 TYR A 122 6.645 9.305 -12.690 1.00 3.22 H new ATOM 0 HE2 TYR A 122 6.091 5.116 -12.125 1.00 33.33 H new ATOM 0 HH TYR A 122 4.806 6.368 -13.468 1.00 32.53 H new ATOM 1995 N PRO A 123 13.244 7.480 -9.853 1.00 74.42 N ATOM 1996 CA PRO A 123 14.449 7.045 -9.144 1.00 44.43 C ATOM 1997 C PRO A 123 14.134 6.434 -7.783 1.00 65.12 C ATOM 1998 O PRO A 123 14.962 5.735 -7.199 1.00 21.24 O ATOM 1999 CB PRO A 123 15.249 8.340 -8.975 1.00 50.35 C ATOM 2000 CG PRO A 123 14.226 9.423 -9.007 1.00 73.22 C ATOM 2001 CD PRO A 123 13.148 8.947 -9.942 1.00 10.25 C ATOM 0 HA PRO A 123 14.982 6.266 -9.689 1.00 44.43 H new ATOM 0 HB2 PRO A 123 15.801 8.345 -8.035 1.00 50.35 H new ATOM 0 HB3 PRO A 123 15.980 8.461 -9.775 1.00 50.35 H new ATOM 0 HG2 PRO A 123 13.824 9.610 -8.011 1.00 73.22 H new ATOM 0 HG3 PRO A 123 14.660 10.360 -9.357 1.00 73.22 H new ATOM 0 HD2 PRO A 123 12.165 9.305 -9.637 1.00 10.25 H new ATOM 0 HD3 PRO A 123 13.314 9.300 -10.960 1.00 10.25 H new ATOM 2009 N VAL A 124 12.931 6.701 -7.284 1.00 44.12 N ATOM 2010 CA VAL A 124 12.506 6.175 -5.992 1.00 72.34 C ATOM 2011 C VAL A 124 11.095 5.602 -6.070 1.00 22.11 C ATOM 2012 O VAL A 124 10.319 5.953 -6.960 1.00 31.12 O ATOM 2013 CB VAL A 124 12.546 7.263 -4.902 1.00 42.45 C ATOM 2014 CG1 VAL A 124 11.229 8.022 -4.857 1.00 15.22 C ATOM 2015 CG2 VAL A 124 12.864 6.648 -3.548 1.00 62.14 C ATOM 0 H VAL A 124 12.234 7.278 -7.755 1.00 44.12 H new ATOM 0 HA VAL A 124 13.204 5.381 -5.728 1.00 72.34 H new ATOM 0 HB VAL A 124 13.337 7.971 -5.148 1.00 42.45 H new ATOM 0 HG11 VAL A 124 11.276 8.786 -4.081 1.00 15.22 H new ATOM 0 HG12 VAL A 124 11.049 8.495 -5.822 1.00 15.22 H new ATOM 0 HG13 VAL A 124 10.417 7.329 -4.635 1.00 15.22 H new ATOM 0 HG21 VAL A 124 12.888 7.431 -2.790 1.00 62.14 H new ATOM 0 HG22 VAL A 124 12.097 5.917 -3.291 1.00 62.14 H new ATOM 0 HG23 VAL A 124 13.835 6.155 -3.591 1.00 62.14 H new ATOM 2025 N VAL A 125 10.769 4.718 -5.133 1.00 22.44 N ATOM 2026 CA VAL A 125 9.451 4.096 -5.094 1.00 42.04 C ATOM 2027 C VAL A 125 9.054 3.737 -3.666 1.00 44.02 C ATOM 2028 O VAL A 125 9.899 3.506 -2.801 1.00 23.24 O ATOM 2029 CB VAL A 125 9.404 2.825 -5.963 1.00 71.32 C ATOM 2030 CG1 VAL A 125 9.538 3.180 -7.436 1.00 34.52 C ATOM 2031 CG2 VAL A 125 10.493 1.850 -5.541 1.00 0.13 C ATOM 0 H VAL A 125 11.400 4.416 -4.390 1.00 22.44 H new ATOM 0 HA VAL A 125 8.745 4.825 -5.492 1.00 42.04 H new ATOM 0 HB VAL A 125 8.438 2.342 -5.816 1.00 71.32 H new ATOM 0 HG11 VAL A 125 9.503 2.270 -8.034 1.00 34.52 H new ATOM 0 HG12 VAL A 125 8.719 3.838 -7.728 1.00 34.52 H new ATOM 0 HG13 VAL A 125 10.488 3.687 -7.603 1.00 34.52 H new ATOM 0 HG21 VAL A 125 10.445 0.958 -6.166 1.00 0.13 H new ATOM 0 HG22 VAL A 125 11.469 2.322 -5.657 1.00 0.13 H new ATOM 0 HG23 VAL A 125 10.347 1.571 -4.498 1.00 0.13 H new ATOM 2041 N PRO A 126 7.739 3.688 -3.412 1.00 23.55 N ATOM 2042 CA PRO A 126 7.200 3.356 -2.090 1.00 13.42 C ATOM 2043 C PRO A 126 7.425 1.893 -1.722 1.00 52.21 C ATOM 2044 O PRO A 126 7.275 1.003 -2.559 1.00 31.22 O ATOM 2045 CB PRO A 126 5.703 3.648 -2.233 1.00 44.12 C ATOM 2046 CG PRO A 126 5.427 3.500 -3.689 1.00 73.15 C ATOM 2047 CD PRO A 126 6.675 3.951 -4.396 1.00 51.44 C ATOM 0 HA PRO A 126 7.685 3.926 -1.298 1.00 13.42 H new ATOM 0 HB2 PRO A 126 5.106 2.952 -1.644 1.00 44.12 H new ATOM 0 HB3 PRO A 126 5.460 4.652 -1.884 1.00 44.12 H new ATOM 0 HG2 PRO A 126 5.190 2.466 -3.938 1.00 73.15 H new ATOM 0 HG3 PRO A 126 4.570 4.104 -3.987 1.00 73.15 H new ATOM 0 HD2 PRO A 126 6.836 3.396 -5.320 1.00 51.44 H new ATOM 0 HD3 PRO A 126 6.626 5.007 -4.663 1.00 51.44 H new ATOM 2055 N VAL A 127 7.785 1.653 -0.465 1.00 73.44 N ATOM 2056 CA VAL A 127 8.029 0.297 0.013 1.00 32.12 C ATOM 2057 C VAL A 127 7.354 0.060 1.360 1.00 64.21 C ATOM 2058 O VAL A 127 7.527 -0.992 1.976 1.00 73.34 O ATOM 2059 CB VAL A 127 9.536 0.013 0.150 1.00 42.11 C ATOM 2060 CG1 VAL A 127 10.250 0.269 -1.169 1.00 72.23 C ATOM 2061 CG2 VAL A 127 10.139 0.857 1.263 1.00 13.02 C ATOM 0 H VAL A 127 7.914 2.379 0.240 1.00 73.44 H new ATOM 0 HA VAL A 127 7.605 -0.381 -0.728 1.00 32.12 H new ATOM 0 HB VAL A 127 9.667 -1.037 0.410 1.00 42.11 H new ATOM 0 HG11 VAL A 127 11.314 0.063 -1.053 1.00 72.23 H new ATOM 0 HG12 VAL A 127 9.836 -0.382 -1.939 1.00 72.23 H new ATOM 0 HG13 VAL A 127 10.112 1.310 -1.461 1.00 72.23 H new ATOM 0 HG21 VAL A 127 11.205 0.643 1.345 1.00 13.02 H new ATOM 0 HG22 VAL A 127 9.998 1.914 1.036 1.00 13.02 H new ATOM 0 HG23 VAL A 127 9.647 0.620 2.207 1.00 13.02 H new ATOM 2071 N HIS A 128 6.584 1.045 1.811 1.00 25.12 N ATOM 2072 CA HIS A 128 5.881 0.943 3.085 1.00 50.42 C ATOM 2073 C HIS A 128 4.805 2.018 3.199 1.00 42.13 C ATOM 2074 O HIS A 128 5.013 3.165 2.799 1.00 61.40 O ATOM 2075 CB HIS A 128 6.867 1.067 4.247 1.00 25.20 C ATOM 2076 CG HIS A 128 6.217 1.417 5.550 1.00 22.43 C ATOM 2077 ND1 HIS A 128 6.259 0.595 6.657 1.00 64.13 N ATOM 2078 CD2 HIS A 128 5.507 2.507 5.921 1.00 40.44 C ATOM 2079 CE1 HIS A 128 5.602 1.164 7.650 1.00 12.21 C ATOM 2080 NE2 HIS A 128 5.136 2.327 7.230 1.00 63.01 N ATOM 0 H HIS A 128 6.431 1.922 1.314 1.00 25.12 H new ATOM 0 HA HIS A 128 5.400 -0.034 3.129 1.00 50.42 H new ATOM 0 HB2 HIS A 128 7.403 0.125 4.360 1.00 25.20 H new ATOM 0 HB3 HIS A 128 7.608 1.829 4.004 1.00 25.20 H new ATOM 0 HD1 HIS A 128 6.725 -0.311 6.701 1.00 64.13 H new ATOM 0 HD2 HIS A 128 5.275 3.361 5.302 1.00 40.44 H new ATOM 0 HE1 HIS A 128 5.468 0.749 8.638 1.00 12.21 H new ATOM 2089 N LEU A 129 3.655 1.642 3.747 1.00 50.14 N ATOM 2090 CA LEU A 129 2.545 2.574 3.914 1.00 72.02 C ATOM 2091 C LEU A 129 2.175 2.722 5.386 1.00 53.21 C ATOM 2092 O LEU A 129 1.678 1.783 6.009 1.00 50.44 O ATOM 2093 CB LEU A 129 1.330 2.098 3.116 1.00 50.05 C ATOM 2094 CG LEU A 129 0.211 3.122 2.923 1.00 53.31 C ATOM 2095 CD1 LEU A 129 -0.509 3.380 4.237 1.00 11.41 C ATOM 2096 CD2 LEU A 129 0.768 4.419 2.354 1.00 54.23 C ATOM 0 H LEU A 129 3.467 0.698 4.084 1.00 50.14 H new ATOM 0 HA LEU A 129 2.860 3.547 3.538 1.00 72.02 H new ATOM 0 HB2 LEU A 129 1.671 1.772 2.133 1.00 50.05 H new ATOM 0 HB3 LEU A 129 0.913 1.223 3.615 1.00 50.05 H new ATOM 0 HG LEU A 129 -0.509 2.716 2.212 1.00 53.31 H new ATOM 0 HD11 LEU A 129 -1.302 4.111 4.080 1.00 11.41 H new ATOM 0 HD12 LEU A 129 -0.941 2.449 4.604 1.00 11.41 H new ATOM 0 HD13 LEU A 129 0.199 3.765 4.971 1.00 11.41 H new ATOM 0 HD21 LEU A 129 -0.042 5.136 2.223 1.00 54.23 H new ATOM 0 HD22 LEU A 129 1.508 4.829 3.041 1.00 54.23 H new ATOM 0 HD23 LEU A 129 1.237 4.222 1.390 1.00 54.23 H new ATOM 2108 N ASP A 130 2.417 3.907 5.935 1.00 24.13 N ATOM 2109 CA ASP A 130 2.107 4.180 7.334 1.00 74.31 C ATOM 2110 C ASP A 130 0.598 4.242 7.552 1.00 5.14 C ATOM 2111 O ASP A 130 0.046 3.496 8.363 1.00 13.52 O ATOM 2112 CB ASP A 130 2.753 5.494 7.775 1.00 1.25 C ATOM 2113 CG ASP A 130 4.114 5.285 8.409 1.00 1.52 C ATOM 2114 OD1 ASP A 130 4.239 4.382 9.264 1.00 73.33 O ATOM 2115 OD2 ASP A 130 5.054 6.024 8.052 1.00 61.33 O ATOM 0 H ASP A 130 2.827 4.694 5.433 1.00 24.13 H new ATOM 0 HA ASP A 130 2.511 3.366 7.936 1.00 74.31 H new ATOM 0 HB2 ASP A 130 2.854 6.153 6.913 1.00 1.25 H new ATOM 0 HB3 ASP A 130 2.098 5.997 8.486 1.00 1.25 H new ATOM 2120 N THR A 131 -0.064 5.136 6.826 1.00 20.12 N ATOM 2121 CA THR A 131 -1.508 5.297 6.942 1.00 40.11 C ATOM 2122 C THR A 131 -2.049 6.217 5.853 1.00 44.42 C ATOM 2123 O THR A 131 -1.293 6.727 5.024 1.00 25.54 O ATOM 2124 CB THR A 131 -1.901 5.865 8.319 1.00 62.31 C ATOM 2125 OG1 THR A 131 -3.321 5.802 8.488 1.00 34.32 O ATOM 2126 CG2 THR A 131 -1.431 7.305 8.465 1.00 75.31 C ATOM 0 H THR A 131 0.377 5.760 6.151 1.00 20.12 H new ATOM 0 HA THR A 131 -1.946 4.306 6.827 1.00 40.11 H new ATOM 0 HB THR A 131 -1.417 5.262 9.087 1.00 62.31 H new ATOM 0 HG1 THR A 131 -3.562 6.163 9.366 1.00 34.32 H new ATOM 0 HG21 THR A 131 -1.720 7.684 9.445 1.00 75.31 H new ATOM 0 HG22 THR A 131 -0.346 7.346 8.366 1.00 75.31 H new ATOM 0 HG23 THR A 131 -1.890 7.918 7.689 1.00 75.31 H new ATOM 2134 N THR A 132 -3.361 6.428 5.860 1.00 73.22 N ATOM 2135 CA THR A 132 -4.002 7.286 4.873 1.00 53.23 C ATOM 2136 C THR A 132 -4.798 8.399 5.545 1.00 74.21 C ATOM 2137 O THR A 132 -5.803 8.142 6.209 1.00 72.35 O ATOM 2138 CB THR A 132 -4.942 6.482 3.954 1.00 3.14 C ATOM 2139 OG1 THR A 132 -5.668 5.516 4.721 1.00 2.42 O ATOM 2140 CG2 THR A 132 -4.156 5.779 2.858 1.00 5.11 C ATOM 0 H THR A 132 -4.001 6.016 6.539 1.00 73.22 H new ATOM 0 HA THR A 132 -3.205 7.724 4.272 1.00 53.23 H new ATOM 0 HB THR A 132 -5.642 7.177 3.489 1.00 3.14 H new ATOM 0 HG1 THR A 132 -6.023 5.940 5.530 1.00 2.42 H new ATOM 0 HG21 THR A 132 -4.841 5.218 2.222 1.00 5.11 H new ATOM 0 HG22 THR A 132 -3.627 6.519 2.258 1.00 5.11 H new ATOM 0 HG23 THR A 132 -3.436 5.095 3.308 1.00 5.11 H new ATOM 2148 N ILE A 133 -4.344 9.636 5.369 1.00 24.41 N ATOM 2149 CA ILE A 133 -5.015 10.787 5.958 1.00 2.52 C ATOM 2150 C ILE A 133 -6.530 10.656 5.848 1.00 75.41 C ATOM 2151 O ILE A 133 -7.247 10.756 6.843 1.00 53.01 O ATOM 2152 CB ILE A 133 -4.574 12.101 5.286 1.00 34.30 C ATOM 2153 CG1 ILE A 133 -3.074 12.325 5.490 1.00 71.44 C ATOM 2154 CG2 ILE A 133 -5.371 13.273 5.839 1.00 22.24 C ATOM 2155 CD1 ILE A 133 -2.635 12.193 6.931 1.00 2.51 C ATOM 0 H ILE A 133 -3.514 9.866 4.823 1.00 24.41 H new ATOM 0 HA ILE A 133 -4.731 10.814 7.010 1.00 2.52 H new ATOM 0 HB ILE A 133 -4.769 12.028 4.216 1.00 34.30 H new ATOM 0 HG12 ILE A 133 -2.522 11.608 4.883 1.00 71.44 H new ATOM 0 HG13 ILE A 133 -2.810 13.319 5.128 1.00 71.44 H new ATOM 0 HG21 ILE A 133 -5.048 14.194 5.354 1.00 22.24 H new ATOM 0 HG22 ILE A 133 -6.432 13.115 5.646 1.00 22.24 H new ATOM 0 HG23 ILE A 133 -5.205 13.351 6.913 1.00 22.24 H new ATOM 0 HD11 ILE A 133 -1.561 12.364 7.001 1.00 2.51 H new ATOM 0 HD12 ILE A 133 -3.160 12.929 7.540 1.00 2.51 H new ATOM 0 HD13 ILE A 133 -2.867 11.191 7.292 1.00 2.51 H new TER 2167 ILE A 133