USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1058 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 11 THR OG1 : rot -176:sc= 0.933 USER MOD Set 1.2: B 136 SER OG : rot 113:sc= 1.13 USER MOD Set 2.1: B 105 HIS : no HE2:sc= 0.311 K(o=1.4,f=-9.1!) USER MOD Set 2.2: B 108 ASN : amide:sc= 1.08 K(o=1.4,f=-5.6!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= 1 K(o=2.2,f=-4.2) USER MOD Set 3.2: A 21 LYS NZ :NH3+ -173:sc= 1.24 (180deg=-0.00354) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= 1.75 (180deg=0.698) USER MOD Single : A 7 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.00075) USER MOD Single : A 9 HIS : no HD1:sc= -0.0616 X(o=-0.062,f=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0639 F(o=-0.72,f=-0.064) USER MOD Single : A 16 SER OG : rot 123:sc= -0.867 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-8.8e-05) USER MOD Single : A 24 GLN : amide:sc= -0.242 K(o=-0.24,f=-3.6!) USER MOD Single : A 29 THR OG1 : rot -113:sc= -0.612! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 141:sc= -3.97! (180deg=-4.33!) USER MOD Single : A 42 ASN :FLIP amide:sc=-0.00669 F(o=-1.2,f=-0.0067) USER MOD Single : A 46 TYR OH : rot -115:sc= 1.2 USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0499 (180deg=-0.34) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 161:sc= -1.55 (180deg=-2.44!) USER MOD Single : A 55 TYR OH : rot 150:sc= -0.0588 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.787 K(o=0.79,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.419 USER MOD Single : A 64 TYR OH : rot -155:sc= 0.994 USER MOD Single : A 65 TYR OH : rot 165:sc= -0.218 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 71 LYS NZ :NH3+ -156:sc= -1.39 (180deg=-2.18!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -1.27 F(o=-2.8!,f=-1.3) USER MOD Single : A 77 LYS NZ :NH3+ -142:sc= -0.118 (180deg=-1.3!) USER MOD Single : A 82 LYS NZ :NH3+ 144:sc= -0.791 (180deg=-3.87!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.483 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 103 MET CE :methyl -168:sc= -0.0189 (180deg=-0.26) USER MOD Single : B 104 SER OG : rot 180:sc= 0 USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 109 GLN : amide:sc= 0.283 K(o=0.28,f=-7.2!) USER MOD Single : B 110 THR OG1 : rot -171:sc= -0.204 USER MOD Single : B 112 GLN : amide:sc= -0.841 K(o=-0.84,f=-2.3!) USER MOD Single : B 116 THR OG1 : rot 83:sc= 1.27 USER MOD Single : B 117 SER OG : rot 80:sc= 0.639 USER MOD Single : B 119 SER OG : rot -30:sc= 0.0221 USER MOD Single : B 121 SER OG : rot 180:sc= 0.00192 USER MOD Single : B 122 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.09) USER MOD Single : B 123 SER OG : rot 180:sc= 0 USER MOD Single : B 128 SER OG : rot 180:sc=-0.00681 USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 139 CYS SG : rot 180:sc= 0 USER MOD Single : B 141 MET CE :methyl 165:sc= -6.24! (180deg=-6.66!) USER MOD Single : B 143 SER OG : rot 180:sc= 0.0149 USER MOD Single : B 147 SER OG : rot -88:sc= 1.22 USER MOD Single : B 150 MET CE :methyl -133:sc= -0.297 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.825 4.818 17.389 1.00 0.00 N ATOM 2 CA GLY A 1 -14.678 6.263 17.268 1.00 0.00 C ATOM 3 C GLY A 1 -15.791 6.834 16.459 1.00 0.00 C ATOM 4 O GLY A 1 -16.965 6.621 16.772 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.041 4.436 17.956 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.728 4.599 17.855 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.810 4.387 16.443 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.670 6.718 18.258 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.722 6.500 16.801 1.00 0.00 H new ATOM 10 N VAL A 2 -15.450 7.548 15.414 1.00 0.00 N ATOM 11 CA VAL A 2 -16.442 8.087 14.524 1.00 0.00 C ATOM 12 C VAL A 2 -16.871 7.006 13.547 1.00 0.00 C ATOM 13 O VAL A 2 -16.079 6.532 12.723 1.00 0.00 O ATOM 14 CB VAL A 2 -15.971 9.386 13.802 1.00 0.00 C ATOM 15 CG1 VAL A 2 -15.900 10.521 14.799 1.00 0.00 C ATOM 16 CG2 VAL A 2 -14.607 9.201 13.160 1.00 0.00 C ATOM 0 H VAL A 2 -14.487 7.769 15.160 1.00 0.00 H new ATOM 0 HA VAL A 2 -17.304 8.395 15.116 1.00 0.00 H new ATOM 0 HB VAL A 2 -16.692 9.615 13.017 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.571 11.429 14.294 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -16.886 10.685 15.234 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -15.192 10.268 15.588 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.309 10.126 12.666 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.875 8.948 13.927 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -14.656 8.397 12.426 1.00 0.00 H new ATOM 26 N ARG A 3 -18.109 6.609 13.656 1.00 0.00 N ATOM 27 CA ARG A 3 -18.603 5.470 12.928 1.00 0.00 C ATOM 28 C ARG A 3 -19.094 5.864 11.551 1.00 0.00 C ATOM 29 O ARG A 3 -20.103 6.532 11.379 1.00 0.00 O ATOM 30 CB ARG A 3 -19.610 4.610 13.756 1.00 0.00 C ATOM 31 CG ARG A 3 -21.063 5.106 13.989 1.00 0.00 C ATOM 32 CD ARG A 3 -21.211 6.495 14.611 1.00 0.00 C ATOM 33 NE ARG A 3 -21.265 7.552 13.585 1.00 0.00 N ATOM 34 CZ ARG A 3 -22.346 8.299 13.298 1.00 0.00 C ATOM 35 NH1 ARG A 3 -23.450 8.180 14.010 1.00 0.00 N ATOM 36 NH2 ARG A 3 -22.303 9.166 12.294 1.00 0.00 N ATOM 0 H ARG A 3 -18.803 7.063 14.250 1.00 0.00 H new ATOM 0 HA ARG A 3 -17.762 4.797 12.758 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -19.676 3.636 13.271 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -19.164 4.448 14.737 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -21.584 5.102 13.032 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -21.571 4.387 14.631 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -22.118 6.528 15.215 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.374 6.683 15.283 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.415 7.731 13.050 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -23.488 7.518 14.785 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -24.265 8.750 13.786 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -21.451 9.265 11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -23.122 9.733 12.075 1.00 0.00 H new ATOM 50 N LYS A 4 -18.349 5.478 10.593 1.00 0.00 N ATOM 51 CA LYS A 4 -18.564 5.900 9.241 1.00 0.00 C ATOM 52 C LYS A 4 -19.384 4.870 8.501 1.00 0.00 C ATOM 53 O LYS A 4 -18.966 3.721 8.347 1.00 0.00 O ATOM 54 CB LYS A 4 -17.208 6.104 8.591 1.00 0.00 C ATOM 55 CG LYS A 4 -16.241 6.776 9.529 1.00 0.00 C ATOM 56 CD LYS A 4 -14.850 6.904 8.973 1.00 0.00 C ATOM 57 CE LYS A 4 -13.909 7.402 10.048 1.00 0.00 C ATOM 58 NZ LYS A 4 -13.747 6.418 11.152 1.00 0.00 N ATOM 0 H LYS A 4 -17.555 4.849 10.712 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.121 6.837 9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.804 5.141 8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.322 6.708 7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.617 7.769 9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.200 6.211 10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.509 5.939 8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.849 7.593 8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.935 7.614 9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.287 8.341 10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.882 6.635 11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.569 6.471 11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.677 5.459 10.755 1.00 0.00 H new ATOM 72 N GLY A 5 -20.546 5.288 8.043 1.00 0.00 N ATOM 73 CA GLY A 5 -21.480 4.399 7.368 1.00 0.00 C ATOM 74 C GLY A 5 -20.980 3.903 6.028 1.00 0.00 C ATOM 75 O GLY A 5 -21.470 2.898 5.502 1.00 0.00 O ATOM 0 H GLY A 5 -20.873 6.251 8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -21.683 3.542 8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.426 4.921 7.223 1.00 0.00 H new ATOM 79 N TRP A 6 -19.988 4.574 5.483 1.00 0.00 N ATOM 80 CA TRP A 6 -19.435 4.202 4.194 1.00 0.00 C ATOM 81 C TRP A 6 -18.695 2.876 4.229 1.00 0.00 C ATOM 82 O TRP A 6 -18.332 2.350 3.182 1.00 0.00 O ATOM 83 CB TRP A 6 -18.533 5.291 3.615 1.00 0.00 C ATOM 84 CG TRP A 6 -17.301 5.612 4.413 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.156 6.619 5.299 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.032 4.934 4.378 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.883 6.628 5.796 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.186 5.604 5.262 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.532 3.828 3.691 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.883 5.224 5.471 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.226 3.453 3.907 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.420 4.147 4.790 1.00 0.00 C ATOM 0 H TRP A 6 -19.544 5.385 5.914 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.296 4.083 3.536 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.226 4.988 2.614 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.120 6.203 3.506 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -17.933 7.317 5.575 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -15.517 7.304 6.466 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.157 3.277 3.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.247 5.766 6.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -13.824 2.602 3.378 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.400 3.825 4.940 1.00 0.00 H new ATOM 103 N HIS A 7 -18.456 2.330 5.422 1.00 0.00 N ATOM 104 CA HIS A 7 -17.764 1.041 5.533 1.00 0.00 C ATOM 105 C HIS A 7 -18.561 -0.106 4.863 1.00 0.00 C ATOM 106 O HIS A 7 -18.008 -1.141 4.531 1.00 0.00 O ATOM 107 CB HIS A 7 -17.347 0.703 7.001 1.00 0.00 C ATOM 108 CG HIS A 7 -18.456 0.442 8.004 1.00 0.00 C ATOM 109 ND1 HIS A 7 -18.244 -0.147 9.235 1.00 0.00 N ATOM 110 CD2 HIS A 7 -19.785 0.701 7.947 1.00 0.00 C ATOM 111 CE1 HIS A 7 -19.410 -0.231 9.863 1.00 0.00 C ATOM 112 NE2 HIS A 7 -20.385 0.271 9.123 1.00 0.00 N ATOM 0 H HIS A 7 -18.725 2.750 6.312 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.833 1.142 4.975 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.705 -0.177 6.974 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -16.741 1.528 7.377 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -20.296 1.168 7.118 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -19.545 -0.653 10.848 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -21.374 0.330 9.366 1.00 0.00 H new ATOM 120 N GLU A 8 -19.850 0.130 4.628 1.00 0.00 N ATOM 121 CA GLU A 8 -20.710 -0.834 3.949 1.00 0.00 C ATOM 122 C GLU A 8 -20.522 -0.727 2.436 1.00 0.00 C ATOM 123 O GLU A 8 -20.995 -1.561 1.680 1.00 0.00 O ATOM 124 CB GLU A 8 -22.172 -0.567 4.291 1.00 0.00 C ATOM 125 CG GLU A 8 -22.466 -0.605 5.769 1.00 0.00 C ATOM 126 CD GLU A 8 -23.909 -0.325 6.085 1.00 0.00 C ATOM 127 OE1 GLU A 8 -24.289 0.864 6.208 1.00 0.00 O ATOM 128 OE2 GLU A 8 -24.693 -1.284 6.241 1.00 0.00 O ATOM 0 H GLU A 8 -20.325 0.990 4.902 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.437 -1.836 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.455 0.410 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -22.795 -1.306 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.196 -1.585 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -21.839 0.127 6.278 1.00 0.00 H new ATOM 135 N HIS A 9 -19.809 0.296 2.015 1.00 0.00 N ATOM 136 CA HIS A 9 -19.571 0.564 0.603 1.00 0.00 C ATOM 137 C HIS A 9 -18.175 0.111 0.191 1.00 0.00 C ATOM 138 O HIS A 9 -17.698 0.420 -0.907 1.00 0.00 O ATOM 139 CB HIS A 9 -19.701 2.061 0.305 1.00 0.00 C ATOM 140 CG HIS A 9 -21.086 2.617 0.361 1.00 0.00 C ATOM 141 ND1 HIS A 9 -21.826 2.942 -0.755 1.00 0.00 N ATOM 142 CD2 HIS A 9 -21.848 2.957 1.426 1.00 0.00 C ATOM 143 CE1 HIS A 9 -22.979 3.461 -0.349 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.047 3.495 0.976 1.00 0.00 N ATOM 0 H HIS A 9 -19.373 0.972 2.642 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.319 0.008 0.038 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.081 2.609 1.015 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.293 2.251 -0.688 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.568 2.830 2.461 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.759 3.810 -1.010 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.819 3.843 1.545 1.00 0.00 H new ATOM 152 N VAL A 10 -17.523 -0.591 1.064 1.00 0.00 N ATOM 153 CA VAL A 10 -16.187 -1.054 0.820 1.00 0.00 C ATOM 154 C VAL A 10 -16.037 -2.477 1.354 1.00 0.00 C ATOM 155 O VAL A 10 -16.109 -2.741 2.565 1.00 0.00 O ATOM 156 CB VAL A 10 -15.146 -0.060 1.433 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.366 0.182 2.903 1.00 0.00 C ATOM 158 CG2 VAL A 10 -13.712 -0.460 1.136 1.00 0.00 C ATOM 0 H VAL A 10 -17.902 -0.862 1.971 1.00 0.00 H new ATOM 0 HA VAL A 10 -15.990 -1.085 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.318 0.892 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.614 0.879 3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.359 0.603 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.284 -0.761 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.032 0.264 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.516 -1.448 1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.557 -0.484 0.057 1.00 0.00 H new ATOM 168 N THR A 11 -15.901 -3.388 0.452 1.00 0.00 N ATOM 169 CA THR A 11 -15.817 -4.772 0.782 1.00 0.00 C ATOM 170 C THR A 11 -14.347 -5.128 1.040 1.00 0.00 C ATOM 171 O THR A 11 -13.441 -4.381 0.604 1.00 0.00 O ATOM 172 CB THR A 11 -16.340 -5.588 -0.411 1.00 0.00 C ATOM 173 OG1 THR A 11 -17.432 -4.869 -1.034 1.00 0.00 O ATOM 174 CG2 THR A 11 -16.841 -6.944 0.056 1.00 0.00 C ATOM 0 H THR A 11 -15.844 -3.192 -0.547 1.00 0.00 H new ATOM 0 HA THR A 11 -16.409 -4.992 1.671 1.00 0.00 H new ATOM 0 HB THR A 11 -15.529 -5.735 -1.124 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.811 -5.412 -1.757 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.208 -7.511 -0.800 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.025 -7.490 0.530 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.650 -6.806 0.774 1.00 0.00 H new ATOM 182 N GLN A 12 -14.104 -6.254 1.725 1.00 0.00 N ATOM 183 CA GLN A 12 -12.754 -6.734 2.009 1.00 0.00 C ATOM 184 C GLN A 12 -11.962 -6.859 0.722 1.00 0.00 C ATOM 185 O GLN A 12 -10.809 -6.549 0.682 1.00 0.00 O ATOM 186 CB GLN A 12 -12.779 -8.073 2.789 1.00 0.00 C ATOM 187 CG GLN A 12 -11.393 -8.623 3.148 1.00 0.00 C ATOM 188 CD GLN A 12 -10.947 -9.848 2.335 1.00 0.00 C ATOM 189 OE1 GLN A 12 -11.434 -10.012 1.125 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -10.177 -10.659 2.826 1.00 0.00 N flip ATOM 0 H GLN A 12 -14.841 -6.854 2.096 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.259 -6.003 2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.350 -7.934 3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.308 -8.817 2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.658 -7.829 3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.387 -8.886 4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.812 -10.511 3.767 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.899 -11.485 2.295 1.00 0.00 H new ATOM 199 N ASP A 13 -12.632 -7.271 -0.318 1.00 0.00 N ATOM 200 CA ASP A 13 -12.058 -7.411 -1.655 1.00 0.00 C ATOM 201 C ASP A 13 -11.342 -6.146 -2.138 1.00 0.00 C ATOM 202 O ASP A 13 -10.195 -6.215 -2.583 1.00 0.00 O ATOM 203 CB ASP A 13 -13.160 -7.779 -2.633 1.00 0.00 C ATOM 204 CG ASP A 13 -12.726 -7.682 -4.067 1.00 0.00 C ATOM 205 OD1 ASP A 13 -12.183 -8.659 -4.612 1.00 0.00 O ATOM 206 OD2 ASP A 13 -12.957 -6.658 -4.665 1.00 0.00 O ATOM 0 H ASP A 13 -13.618 -7.529 -0.273 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.305 -8.197 -1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.496 -8.796 -2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -14.015 -7.123 -2.472 1.00 0.00 H new ATOM 211 N LEU A 14 -11.987 -4.997 -1.966 1.00 0.00 N ATOM 212 CA LEU A 14 -11.457 -3.746 -2.493 1.00 0.00 C ATOM 213 C LEU A 14 -10.243 -3.376 -1.699 1.00 0.00 C ATOM 214 O LEU A 14 -9.170 -3.139 -2.243 1.00 0.00 O ATOM 215 CB LEU A 14 -12.546 -2.635 -2.406 1.00 0.00 C ATOM 216 CG LEU A 14 -12.246 -1.222 -3.004 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.342 -0.402 -2.116 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.630 -1.324 -4.379 1.00 0.00 C ATOM 0 H LEU A 14 -12.873 -4.907 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.179 -3.858 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.442 -3.015 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.793 -2.500 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.209 -0.716 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.164 0.570 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.816 -0.262 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.392 -0.921 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.434 -0.324 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.694 -1.879 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.317 -1.843 -5.048 1.00 0.00 H new ATOM 230 N ARG A 15 -10.412 -3.390 -0.409 1.00 0.00 N ATOM 231 CA ARG A 15 -9.369 -3.009 0.478 1.00 0.00 C ATOM 232 C ARG A 15 -8.188 -3.939 0.397 1.00 0.00 C ATOM 233 O ARG A 15 -7.086 -3.491 0.265 1.00 0.00 O ATOM 234 CB ARG A 15 -9.885 -2.855 1.880 1.00 0.00 C ATOM 235 CG ARG A 15 -10.546 -4.038 2.472 1.00 0.00 C ATOM 236 CD ARG A 15 -11.399 -3.611 3.615 1.00 0.00 C ATOM 237 NE ARG A 15 -10.640 -2.803 4.593 1.00 0.00 N ATOM 238 CZ ARG A 15 -10.879 -2.733 5.901 1.00 0.00 C ATOM 239 NH1 ARG A 15 -11.893 -3.397 6.442 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.089 -1.997 6.664 1.00 0.00 N ATOM 0 H ARG A 15 -11.279 -3.667 0.051 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.004 -2.033 0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.050 -2.573 2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.592 -2.026 1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.153 -4.543 1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.798 -4.754 2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.244 -3.032 3.242 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.810 -4.491 4.111 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.863 -2.249 4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.500 -3.969 5.854 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.066 -3.335 7.445 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.307 -1.491 6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.262 -1.935 7.667 1.00 0.00 H new ATOM 254 N SER A 16 -8.446 -5.229 0.375 1.00 0.00 N ATOM 255 CA SER A 16 -7.414 -6.235 0.307 1.00 0.00 C ATOM 256 C SER A 16 -6.635 -6.121 -1.015 1.00 0.00 C ATOM 257 O SER A 16 -5.437 -6.414 -1.067 1.00 0.00 O ATOM 258 CB SER A 16 -8.048 -7.619 0.485 1.00 0.00 C ATOM 259 OG SER A 16 -7.110 -8.669 0.401 1.00 0.00 O ATOM 0 H SER A 16 -9.391 -5.611 0.404 1.00 0.00 H new ATOM 0 HA SER A 16 -6.694 -6.083 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.548 -7.662 1.453 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.815 -7.762 -0.276 1.00 0.00 H new ATOM 0 HG SER A 16 -7.141 -9.202 1.223 1.00 0.00 H new ATOM 265 N HIS A 17 -7.316 -5.665 -2.063 1.00 0.00 N ATOM 266 CA HIS A 17 -6.688 -5.426 -3.360 1.00 0.00 C ATOM 267 C HIS A 17 -5.668 -4.288 -3.211 1.00 0.00 C ATOM 268 O HIS A 17 -4.518 -4.380 -3.671 1.00 0.00 O ATOM 269 CB HIS A 17 -7.779 -5.043 -4.395 1.00 0.00 C ATOM 270 CG HIS A 17 -7.315 -4.855 -5.818 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.585 -5.730 -6.841 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.618 -3.841 -6.377 1.00 0.00 C ATOM 273 CE1 HIS A 17 -7.055 -5.249 -7.959 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.448 -4.090 -7.736 1.00 0.00 N ATOM 0 H HIS A 17 -8.313 -5.452 -2.038 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.177 -6.324 -3.707 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.546 -5.817 -4.385 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.254 -4.119 -4.065 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -8.105 -6.603 -6.756 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.250 -2.972 -5.851 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.110 -5.736 -8.921 1.00 0.00 H new ATOM 282 N LEU A 18 -6.108 -3.234 -2.567 1.00 0.00 N ATOM 283 CA LEU A 18 -5.287 -2.058 -2.304 1.00 0.00 C ATOM 284 C LEU A 18 -4.146 -2.406 -1.363 1.00 0.00 C ATOM 285 O LEU A 18 -3.028 -1.985 -1.567 1.00 0.00 O ATOM 286 CB LEU A 18 -6.160 -0.922 -1.744 1.00 0.00 C ATOM 287 CG LEU A 18 -6.969 -0.081 -2.765 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.673 -0.911 -3.817 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.001 0.713 -2.061 1.00 0.00 C ATOM 0 H LEU A 18 -7.058 -3.160 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.845 -1.712 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.862 -1.355 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.515 -0.245 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.237 0.552 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.218 -0.254 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.937 -1.484 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.372 -1.594 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.565 1.301 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.678 0.042 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.521 1.381 -1.346 1.00 0.00 H new ATOM 301 N VAL A 19 -4.454 -3.208 -0.366 1.00 0.00 N ATOM 302 CA VAL A 19 -3.495 -3.733 0.605 1.00 0.00 C ATOM 303 C VAL A 19 -2.390 -4.540 -0.119 1.00 0.00 C ATOM 304 O VAL A 19 -1.201 -4.370 0.151 1.00 0.00 O ATOM 305 CB VAL A 19 -4.232 -4.665 1.617 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.285 -5.393 2.470 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.158 -3.894 2.503 1.00 0.00 C ATOM 0 H VAL A 19 -5.408 -3.528 -0.196 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.039 -2.898 1.137 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.803 -5.372 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.835 -6.031 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.634 -6.007 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.682 -4.681 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.653 -4.577 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.590 -3.155 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.907 -3.388 1.894 1.00 0.00 H new ATOM 317 N HIS A 20 -2.809 -5.401 -1.032 1.00 0.00 N ATOM 318 CA HIS A 20 -1.902 -6.210 -1.840 1.00 0.00 C ATOM 319 C HIS A 20 -0.930 -5.309 -2.614 1.00 0.00 C ATOM 320 O HIS A 20 0.297 -5.477 -2.545 1.00 0.00 O ATOM 321 CB HIS A 20 -2.734 -7.098 -2.796 1.00 0.00 C ATOM 322 CG HIS A 20 -1.956 -7.772 -3.879 1.00 0.00 C ATOM 323 ND1 HIS A 20 -2.055 -7.418 -5.197 1.00 0.00 N ATOM 324 CD2 HIS A 20 -1.048 -8.773 -3.824 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.231 -8.174 -5.896 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.586 -9.028 -5.115 1.00 0.00 N ATOM 0 H HIS A 20 -3.795 -5.562 -1.237 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.305 -6.854 -1.195 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.242 -7.862 -2.207 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.508 -6.483 -3.256 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.733 -9.289 -2.929 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.099 -8.106 -6.966 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.103 -9.725 -5.398 1.00 0.00 H new ATOM 334 N LYS A 21 -1.489 -4.350 -3.315 1.00 0.00 N ATOM 335 CA LYS A 21 -0.712 -3.389 -4.075 1.00 0.00 C ATOM 336 C LYS A 21 0.181 -2.561 -3.181 1.00 0.00 C ATOM 337 O LYS A 21 1.336 -2.277 -3.537 1.00 0.00 O ATOM 338 CB LYS A 21 -1.636 -2.512 -4.885 1.00 0.00 C ATOM 339 CG LYS A 21 -2.009 -3.116 -6.208 1.00 0.00 C ATOM 340 CD LYS A 21 -3.162 -2.394 -6.837 1.00 0.00 C ATOM 341 CE LYS A 21 -3.314 -2.757 -8.319 1.00 0.00 C ATOM 342 NZ LYS A 21 -3.625 -4.184 -8.539 1.00 0.00 N ATOM 0 H LYS A 21 -2.498 -4.211 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.059 -3.937 -4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.543 -2.321 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.157 -1.548 -5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.150 -3.085 -6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.268 -4.166 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.081 -2.641 -6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.016 -1.318 -6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.105 -2.148 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.392 -2.507 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.598 -4.392 -9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.922 -4.772 -8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.573 -4.394 -8.167 1.00 0.00 H new ATOM 356 N LEU A 22 -0.362 -2.180 -2.035 1.00 0.00 N ATOM 357 CA LEU A 22 0.337 -1.435 -1.004 1.00 0.00 C ATOM 358 C LEU A 22 1.627 -2.144 -0.678 1.00 0.00 C ATOM 359 O LEU A 22 2.688 -1.546 -0.758 1.00 0.00 O ATOM 360 CB LEU A 22 -0.552 -1.358 0.232 1.00 0.00 C ATOM 361 CG LEU A 22 -0.923 0.029 0.752 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.101 -0.081 1.708 1.00 0.00 C ATOM 363 CD2 LEU A 22 0.258 0.636 1.480 1.00 0.00 C ATOM 0 H LEU A 22 -1.330 -2.388 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 22 0.563 -0.425 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.476 -1.893 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.054 -1.897 1.038 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.195 0.665 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.364 0.910 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.955 -0.511 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.830 -0.721 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.012 1.626 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.535 -0.002 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.102 0.722 0.796 1.00 0.00 H new ATOM 375 N VAL A 23 1.514 -3.442 -0.374 1.00 0.00 N ATOM 376 CA VAL A 23 2.662 -4.314 -0.105 1.00 0.00 C ATOM 377 C VAL A 23 3.654 -4.260 -1.244 1.00 0.00 C ATOM 378 O VAL A 23 4.795 -4.024 -1.017 1.00 0.00 O ATOM 379 CB VAL A 23 2.226 -5.796 0.082 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.420 -6.749 0.025 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.515 -5.975 1.380 1.00 0.00 C ATOM 0 H VAL A 23 0.616 -3.920 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 23 3.120 -3.951 0.815 1.00 0.00 H new ATOM 0 HB VAL A 23 1.552 -6.037 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.074 -7.774 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.913 -6.657 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.125 -6.497 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.218 -7.018 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.178 -5.697 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.628 -5.342 1.399 1.00 0.00 H new ATOM 391 N GLN A 24 3.188 -4.456 -2.466 1.00 0.00 N ATOM 392 CA GLN A 24 4.086 -4.498 -3.634 1.00 0.00 C ATOM 393 C GLN A 24 4.913 -3.220 -3.760 1.00 0.00 C ATOM 394 O GLN A 24 6.049 -3.258 -4.240 1.00 0.00 O ATOM 395 CB GLN A 24 3.313 -4.716 -4.931 1.00 0.00 C ATOM 396 CG GLN A 24 2.473 -5.975 -4.991 1.00 0.00 C ATOM 397 CD GLN A 24 1.708 -6.062 -6.294 1.00 0.00 C ATOM 398 OE1 GLN A 24 0.586 -5.566 -6.404 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.295 -6.689 -7.287 1.00 0.00 N ATOM 0 H GLN A 24 2.201 -4.589 -2.686 1.00 0.00 H new ATOM 0 HA GLN A 24 4.757 -5.341 -3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.661 -3.858 -5.092 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.024 -4.736 -5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.115 -6.849 -4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.774 -5.989 -4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.225 -7.088 -7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.821 -6.777 -8.186 1.00 0.00 H new ATOM 408 N ALA A 25 4.336 -2.098 -3.394 1.00 0.00 N ATOM 409 CA ALA A 25 5.059 -0.866 -3.435 1.00 0.00 C ATOM 410 C ALA A 25 5.943 -0.691 -2.211 1.00 0.00 C ATOM 411 O ALA A 25 7.092 -0.385 -2.329 1.00 0.00 O ATOM 412 CB ALA A 25 4.096 0.256 -3.500 1.00 0.00 C ATOM 0 H ALA A 25 3.373 -2.022 -3.067 1.00 0.00 H new ATOM 0 HA ALA A 25 5.700 -0.878 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.639 1.200 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.484 0.159 -4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.454 0.236 -2.619 1.00 0.00 H new ATOM 418 N ILE A 26 5.409 -0.937 -1.047 1.00 0.00 N ATOM 419 CA ILE A 26 6.146 -0.671 0.179 1.00 0.00 C ATOM 420 C ILE A 26 7.220 -1.747 0.420 1.00 0.00 C ATOM 421 O ILE A 26 8.265 -1.505 1.034 1.00 0.00 O ATOM 422 CB ILE A 26 5.155 -0.493 1.388 1.00 0.00 C ATOM 423 CG1 ILE A 26 5.830 0.090 2.649 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.425 -1.781 1.704 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.508 -0.920 3.550 1.00 0.00 C ATOM 0 H ILE A 26 4.473 -1.319 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 26 6.684 0.272 0.078 1.00 0.00 H new ATOM 0 HB ILE A 26 4.420 0.244 1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.570 0.827 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.077 0.622 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.750 -1.620 2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.851 -2.097 0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.148 -2.555 1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.949 -0.407 4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.774 -1.645 3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.290 -1.437 2.994 1.00 0.00 H new ATOM 437 N PHE A 27 6.972 -2.892 -0.103 1.00 0.00 N ATOM 438 CA PHE A 27 7.841 -4.004 -0.011 1.00 0.00 C ATOM 439 C PHE A 27 8.155 -4.511 -1.416 1.00 0.00 C ATOM 440 O PHE A 27 7.388 -5.301 -1.983 1.00 0.00 O ATOM 441 CB PHE A 27 7.183 -5.110 0.818 1.00 0.00 C ATOM 442 CG PHE A 27 6.966 -4.765 2.262 1.00 0.00 C ATOM 443 CD1 PHE A 27 8.039 -4.605 3.118 1.00 0.00 C ATOM 444 CD2 PHE A 27 5.693 -4.631 2.768 1.00 0.00 C ATOM 445 CE1 PHE A 27 7.838 -4.315 4.456 1.00 0.00 C ATOM 446 CE2 PHE A 27 5.485 -4.336 4.097 1.00 0.00 C ATOM 447 CZ PHE A 27 6.557 -4.179 4.944 1.00 0.00 C ATOM 0 H PHE A 27 6.120 -3.087 -0.629 1.00 0.00 H new ATOM 0 HA PHE A 27 8.768 -3.707 0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.221 -5.359 0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.802 -6.005 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.045 -4.707 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.844 -4.759 2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.684 -4.195 5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.479 -4.228 4.474 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.395 -3.950 5.987 1.00 0.00 H new ATOM 457 N PRO A 28 9.241 -4.015 -2.031 1.00 0.00 N ATOM 458 CA PRO A 28 9.642 -4.447 -3.360 1.00 0.00 C ATOM 459 C PRO A 28 10.061 -5.917 -3.355 1.00 0.00 C ATOM 460 O PRO A 28 11.160 -6.281 -2.892 1.00 0.00 O ATOM 461 CB PRO A 28 10.818 -3.527 -3.724 1.00 0.00 C ATOM 462 CG PRO A 28 11.319 -3.000 -2.421 1.00 0.00 C ATOM 463 CD PRO A 28 10.141 -2.987 -1.485 1.00 0.00 C ATOM 0 HA PRO A 28 8.830 -4.377 -4.084 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.598 -4.075 -4.253 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.497 -2.717 -4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.119 -3.629 -2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.731 -1.998 -2.540 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.440 -3.221 -0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.661 -2.009 -1.461 1.00 0.00 H new ATOM 471 N THR A 29 9.173 -6.751 -3.821 1.00 0.00 N ATOM 472 CA THR A 29 9.380 -8.159 -3.813 1.00 0.00 C ATOM 473 C THR A 29 10.343 -8.592 -4.951 1.00 0.00 C ATOM 474 O THR A 29 10.281 -8.061 -6.079 1.00 0.00 O ATOM 475 CB THR A 29 8.018 -8.920 -3.877 1.00 0.00 C ATOM 476 OG1 THR A 29 8.211 -10.304 -3.614 1.00 0.00 O ATOM 477 CG2 THR A 29 7.326 -8.753 -5.229 1.00 0.00 C ATOM 0 H THR A 29 8.279 -6.462 -4.219 1.00 0.00 H new ATOM 0 HA THR A 29 9.860 -8.428 -2.872 1.00 0.00 H new ATOM 0 HB THR A 29 7.375 -8.483 -3.113 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.015 -10.821 -4.423 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.383 -9.300 -5.225 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.131 -7.696 -5.410 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.969 -9.144 -6.018 1.00 0.00 H new ATOM 485 N PRO A 30 11.290 -9.504 -4.645 1.00 0.00 N ATOM 486 CA PRO A 30 12.251 -10.022 -5.631 1.00 0.00 C ATOM 487 C PRO A 30 11.614 -11.054 -6.574 1.00 0.00 C ATOM 488 O PRO A 30 12.024 -11.208 -7.738 1.00 0.00 O ATOM 489 CB PRO A 30 13.314 -10.699 -4.753 1.00 0.00 C ATOM 490 CG PRO A 30 12.577 -11.115 -3.523 1.00 0.00 C ATOM 491 CD PRO A 30 11.531 -10.061 -3.291 1.00 0.00 C ATOM 0 HA PRO A 30 12.639 -9.237 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.758 -11.557 -5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.127 -10.013 -4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.120 -12.096 -3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.252 -11.190 -2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.622 -10.485 -2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.880 -9.295 -2.599 1.00 0.00 H new ATOM 499 N ASP A 31 10.596 -11.723 -6.073 1.00 0.00 N ATOM 500 CA ASP A 31 9.899 -12.782 -6.782 1.00 0.00 C ATOM 501 C ASP A 31 8.477 -12.742 -6.355 1.00 0.00 C ATOM 502 O ASP A 31 8.203 -12.388 -5.208 1.00 0.00 O ATOM 503 CB ASP A 31 10.447 -14.188 -6.421 1.00 0.00 C ATOM 504 CG ASP A 31 11.829 -14.484 -6.942 1.00 0.00 C ATOM 505 OD1 ASP A 31 11.956 -14.916 -8.104 1.00 0.00 O ATOM 506 OD2 ASP A 31 12.805 -14.311 -6.200 1.00 0.00 O ATOM 0 H ASP A 31 10.220 -11.544 -5.142 1.00 0.00 H new ATOM 0 HA ASP A 31 10.031 -12.623 -7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.454 -14.291 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.760 -14.940 -6.809 1.00 0.00 H new ATOM 511 N PRO A 32 7.529 -13.118 -7.212 1.00 0.00 N ATOM 512 CA PRO A 32 6.123 -13.157 -6.828 1.00 0.00 C ATOM 513 C PRO A 32 5.850 -14.248 -5.781 1.00 0.00 C ATOM 514 O PRO A 32 4.796 -14.296 -5.168 1.00 0.00 O ATOM 515 CB PRO A 32 5.378 -13.440 -8.132 1.00 0.00 C ATOM 516 CG PRO A 32 6.394 -14.048 -9.041 1.00 0.00 C ATOM 517 CD PRO A 32 7.728 -13.485 -8.631 1.00 0.00 C ATOM 0 HA PRO A 32 5.802 -12.226 -6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.541 -14.118 -7.968 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.967 -12.524 -8.557 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.389 -15.135 -8.956 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.176 -13.809 -10.082 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.526 -14.219 -8.747 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.001 -12.619 -9.235 1.00 0.00 H new ATOM 525 N ALA A 33 6.833 -15.092 -5.545 1.00 0.00 N ATOM 526 CA ALA A 33 6.694 -16.140 -4.567 1.00 0.00 C ATOM 527 C ALA A 33 7.010 -15.639 -3.161 1.00 0.00 C ATOM 528 O ALA A 33 6.745 -16.314 -2.173 1.00 0.00 O ATOM 529 CB ALA A 33 7.537 -17.345 -4.920 1.00 0.00 C ATOM 0 H ALA A 33 7.736 -15.069 -6.020 1.00 0.00 H new ATOM 0 HA ALA A 33 5.650 -16.454 -4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.407 -18.115 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.226 -17.735 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.586 -17.054 -4.966 1.00 0.00 H new ATOM 535 N ALA A 34 7.552 -14.444 -3.053 1.00 0.00 N ATOM 536 CA ALA A 34 7.810 -13.870 -1.743 1.00 0.00 C ATOM 537 C ALA A 34 6.516 -13.267 -1.200 1.00 0.00 C ATOM 538 O ALA A 34 6.417 -12.881 -0.041 1.00 0.00 O ATOM 539 CB ALA A 34 8.923 -12.836 -1.808 1.00 0.00 C ATOM 0 H ALA A 34 7.820 -13.856 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 34 8.147 -14.654 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.095 -12.423 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.837 -13.308 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.636 -12.035 -2.489 1.00 0.00 H new ATOM 545 N LEU A 35 5.509 -13.265 -2.052 1.00 0.00 N ATOM 546 CA LEU A 35 4.212 -12.711 -1.744 1.00 0.00 C ATOM 547 C LEU A 35 3.300 -13.788 -1.149 1.00 0.00 C ATOM 548 O LEU A 35 2.118 -13.564 -0.937 1.00 0.00 O ATOM 549 CB LEU A 35 3.600 -12.177 -3.019 1.00 0.00 C ATOM 550 CG LEU A 35 4.477 -11.209 -3.791 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.949 -11.029 -5.184 1.00 0.00 C ATOM 552 CD2 LEU A 35 4.554 -9.876 -3.078 1.00 0.00 C ATOM 0 H LEU A 35 5.574 -13.656 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 35 4.323 -11.909 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.354 -13.018 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.662 -11.679 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 35 5.483 -11.624 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.587 -10.332 -5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.942 -11.990 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.934 -10.633 -5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.187 -9.195 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.554 -9.452 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.977 -10.019 -2.084 1.00 0.00 H new ATOM 564 N LYS A 36 3.862 -14.960 -0.917 1.00 0.00 N ATOM 565 CA LYS A 36 3.146 -16.078 -0.298 1.00 0.00 C ATOM 566 C LYS A 36 4.031 -16.689 0.804 1.00 0.00 C ATOM 567 O LYS A 36 3.808 -17.801 1.280 1.00 0.00 O ATOM 568 CB LYS A 36 2.795 -17.122 -1.377 1.00 0.00 C ATOM 569 CG LYS A 36 4.006 -17.667 -2.107 1.00 0.00 C ATOM 570 CD LYS A 36 3.643 -18.626 -3.235 1.00 0.00 C ATOM 571 CE LYS A 36 2.894 -17.935 -4.367 1.00 0.00 C ATOM 572 NZ LYS A 36 2.598 -18.869 -5.469 1.00 0.00 N ATOM 0 H LYS A 36 4.832 -15.172 -1.151 1.00 0.00 H new ATOM 0 HA LYS A 36 2.216 -15.732 0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.259 -17.949 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.117 -16.671 -2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.581 -16.836 -2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.651 -18.181 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.552 -19.080 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.029 -19.434 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.964 -17.514 -3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.489 -17.103 -4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.088 -18.366 -6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.488 -19.251 -5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.010 -19.650 -5.114 1.00 0.00 H new ATOM 586 N ASP A 37 5.016 -15.912 1.211 1.00 0.00 N ATOM 587 CA ASP A 37 6.031 -16.324 2.195 1.00 0.00 C ATOM 588 C ASP A 37 5.524 -15.999 3.596 1.00 0.00 C ATOM 589 O ASP A 37 4.459 -15.392 3.745 1.00 0.00 O ATOM 590 CB ASP A 37 7.282 -15.487 1.946 1.00 0.00 C ATOM 591 CG ASP A 37 8.527 -15.966 2.635 1.00 0.00 C ATOM 592 OD1 ASP A 37 9.186 -16.866 2.126 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.871 -15.419 3.677 1.00 0.00 O ATOM 0 H ASP A 37 5.146 -14.960 0.869 1.00 0.00 H new ATOM 0 HA ASP A 37 6.238 -17.391 2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.470 -15.457 0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.083 -14.464 2.264 1.00 0.00 H new ATOM 598 N ARG A 38 6.281 -16.363 4.620 1.00 0.00 N ATOM 599 CA ARG A 38 5.934 -15.975 5.977 1.00 0.00 C ATOM 600 C ARG A 38 6.178 -14.483 6.141 1.00 0.00 C ATOM 601 O ARG A 38 5.542 -13.813 6.958 1.00 0.00 O ATOM 602 CB ARG A 38 6.688 -16.777 7.040 1.00 0.00 C ATOM 603 CG ARG A 38 8.150 -16.392 7.302 1.00 0.00 C ATOM 604 CD ARG A 38 9.062 -16.880 6.217 1.00 0.00 C ATOM 605 NE ARG A 38 9.105 -18.348 6.163 1.00 0.00 N ATOM 606 CZ ARG A 38 9.745 -19.077 5.239 1.00 0.00 C ATOM 607 NH1 ARG A 38 10.275 -18.499 4.177 1.00 0.00 N ATOM 608 NH2 ARG A 38 9.792 -20.397 5.363 1.00 0.00 N ATOM 0 H ARG A 38 7.131 -16.921 4.538 1.00 0.00 H new ATOM 0 HA ARG A 38 4.879 -16.200 6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.142 -16.690 7.979 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.662 -17.828 6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.231 -15.308 7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.469 -16.808 8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.726 -16.490 5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.067 -16.492 6.384 1.00 0.00 H new ATOM 0 HE ARG A 38 8.604 -18.856 6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.199 -17.489 4.055 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.760 -19.062 3.479 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.343 -20.851 6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.278 -20.958 4.663 1.00 0.00 H new ATOM 622 N ARG A 39 7.110 -13.974 5.335 1.00 0.00 N ATOM 623 CA ARG A 39 7.387 -12.565 5.244 1.00 0.00 C ATOM 624 C ARG A 39 6.132 -11.832 4.809 1.00 0.00 C ATOM 625 O ARG A 39 5.829 -10.751 5.297 1.00 0.00 O ATOM 626 CB ARG A 39 8.516 -12.338 4.241 1.00 0.00 C ATOM 627 CG ARG A 39 8.662 -10.905 3.777 1.00 0.00 C ATOM 628 CD ARG A 39 9.823 -10.741 2.840 1.00 0.00 C ATOM 629 NE ARG A 39 11.066 -10.907 3.550 1.00 0.00 N ATOM 630 CZ ARG A 39 12.121 -11.579 3.159 1.00 0.00 C ATOM 631 NH1 ARG A 39 12.103 -12.307 2.043 1.00 0.00 N ATOM 632 NH2 ARG A 39 13.194 -11.546 3.916 1.00 0.00 N ATOM 0 H ARG A 39 7.694 -14.547 4.725 1.00 0.00 H new ATOM 0 HA ARG A 39 7.697 -12.181 6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.455 -12.659 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.346 -12.973 3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.745 -10.588 3.280 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.797 -10.255 4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.756 -11.473 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.789 -9.755 2.378 1.00 0.00 H new ATOM 0 HE ARG A 39 11.132 -10.450 4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.257 -12.349 1.475 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.935 -12.822 1.757 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.191 -11.007 4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.030 -12.059 3.638 1.00 0.00 H new ATOM 646 N MET A 40 5.368 -12.476 3.939 1.00 0.00 N ATOM 647 CA MET A 40 4.151 -11.913 3.404 1.00 0.00 C ATOM 648 C MET A 40 3.144 -11.567 4.475 1.00 0.00 C ATOM 649 O MET A 40 2.549 -10.514 4.400 1.00 0.00 O ATOM 650 CB MET A 40 3.572 -12.794 2.286 1.00 0.00 C ATOM 651 CG MET A 40 2.071 -12.648 1.972 1.00 0.00 C ATOM 652 SD MET A 40 1.451 -10.957 1.683 1.00 0.00 S ATOM 653 CE MET A 40 2.548 -10.312 0.436 1.00 0.00 C ATOM 0 H MET A 40 5.582 -13.409 3.586 1.00 0.00 H new ATOM 0 HA MET A 40 4.412 -10.959 2.946 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.129 -12.587 1.372 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.762 -13.835 2.546 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.849 -13.247 1.089 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.507 -13.080 2.799 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.979 -9.712 -0.274 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.310 -9.691 0.907 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.028 -11.138 -0.089 1.00 0.00 H new ATOM 663 N GLU A 41 3.017 -12.377 5.525 1.00 0.00 N ATOM 664 CA GLU A 41 2.015 -12.036 6.538 1.00 0.00 C ATOM 665 C GLU A 41 2.414 -10.746 7.258 1.00 0.00 C ATOM 666 O GLU A 41 1.572 -10.002 7.700 1.00 0.00 O ATOM 667 CB GLU A 41 1.747 -13.158 7.534 1.00 0.00 C ATOM 668 CG GLU A 41 2.858 -13.413 8.504 1.00 0.00 C ATOM 669 CD GLU A 41 2.539 -14.542 9.430 1.00 0.00 C ATOM 670 OE1 GLU A 41 2.376 -15.678 8.960 1.00 0.00 O ATOM 671 OE2 GLU A 41 2.445 -14.314 10.646 1.00 0.00 O ATOM 0 H GLU A 41 3.558 -13.225 5.695 1.00 0.00 H new ATOM 0 HA GLU A 41 1.075 -11.882 6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.842 -12.920 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.548 -14.076 6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.773 -13.639 7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.048 -12.510 9.084 1.00 0.00 H new ATOM 678 N ASN A 42 3.716 -10.492 7.313 1.00 0.00 N ATOM 679 CA ASN A 42 4.278 -9.268 7.890 1.00 0.00 C ATOM 680 C ASN A 42 4.073 -8.102 6.945 1.00 0.00 C ATOM 681 O ASN A 42 3.712 -6.998 7.361 1.00 0.00 O ATOM 682 CB ASN A 42 5.781 -9.465 8.178 1.00 0.00 C ATOM 683 CG ASN A 42 6.559 -8.162 8.333 1.00 0.00 C ATOM 684 OD1 ASN A 42 7.217 -7.754 7.274 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 6.613 -7.561 9.412 1.00 0.00 N flip ATOM 0 H ASN A 42 4.423 -11.135 6.955 1.00 0.00 H new ATOM 0 HA ASN A 42 3.765 -9.050 8.827 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.892 -10.053 9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.223 -10.046 7.368 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.088 -7.907 10.215 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.183 -6.719 9.499 1.00 0.00 H new ATOM 692 N LEU A 43 4.294 -8.369 5.670 1.00 0.00 N ATOM 693 CA LEU A 43 4.147 -7.374 4.621 1.00 0.00 C ATOM 694 C LEU A 43 2.724 -6.895 4.567 1.00 0.00 C ATOM 695 O LEU A 43 2.443 -5.692 4.662 1.00 0.00 O ATOM 696 CB LEU A 43 4.519 -7.965 3.254 1.00 0.00 C ATOM 697 CG LEU A 43 5.866 -8.675 3.128 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.155 -9.040 1.681 1.00 0.00 C ATOM 699 CD2 LEU A 43 6.982 -7.851 3.707 1.00 0.00 C ATOM 0 H LEU A 43 4.582 -9.287 5.331 1.00 0.00 H new ATOM 0 HA LEU A 43 4.815 -6.543 4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.740 -8.673 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.496 -7.157 2.522 1.00 0.00 H new ATOM 0 HG LEU A 43 5.805 -9.597 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.119 -9.544 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.374 -9.704 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.179 -8.134 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.924 -8.388 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.044 -6.900 3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.788 -7.667 4.764 1.00 0.00 H new ATOM 711 N VAL A 44 1.822 -7.842 4.453 1.00 0.00 N ATOM 712 CA VAL A 44 0.430 -7.545 4.350 1.00 0.00 C ATOM 713 C VAL A 44 -0.097 -7.018 5.679 1.00 0.00 C ATOM 714 O VAL A 44 -1.025 -6.240 5.699 1.00 0.00 O ATOM 715 CB VAL A 44 -0.380 -8.767 3.830 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.486 -9.881 4.826 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.724 -8.379 3.266 1.00 0.00 C ATOM 0 H VAL A 44 2.042 -8.838 4.430 1.00 0.00 H new ATOM 0 HA VAL A 44 0.298 -6.757 3.608 1.00 0.00 H new ATOM 0 HB VAL A 44 0.205 -9.164 3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.064 -10.699 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.512 -10.236 5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.984 -9.519 5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.244 -9.272 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.317 -7.892 4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.584 -7.693 2.431 1.00 0.00 H new ATOM 727 N ALA A 45 0.532 -7.426 6.784 1.00 0.00 N ATOM 728 CA ALA A 45 0.169 -6.902 8.104 1.00 0.00 C ATOM 729 C ALA A 45 0.370 -5.384 8.144 1.00 0.00 C ATOM 730 O ALA A 45 -0.514 -4.637 8.579 1.00 0.00 O ATOM 731 CB ALA A 45 0.968 -7.570 9.217 1.00 0.00 C ATOM 0 H ALA A 45 1.288 -8.111 6.793 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.884 -7.130 8.272 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.670 -7.154 10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.775 -8.643 9.210 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.032 -7.392 9.059 1.00 0.00 H new ATOM 737 N TYR A 46 1.537 -4.931 7.667 1.00 0.00 N ATOM 738 CA TYR A 46 1.817 -3.497 7.549 1.00 0.00 C ATOM 739 C TYR A 46 0.814 -2.853 6.627 1.00 0.00 C ATOM 740 O TYR A 46 0.295 -1.784 6.920 1.00 0.00 O ATOM 741 CB TYR A 46 3.260 -3.238 7.027 1.00 0.00 C ATOM 742 CG TYR A 46 3.517 -1.808 6.486 1.00 0.00 C ATOM 743 CD1 TYR A 46 3.112 -1.453 5.199 1.00 0.00 C ATOM 744 CD2 TYR A 46 4.131 -0.825 7.253 1.00 0.00 C ATOM 745 CE1 TYR A 46 3.307 -0.189 4.704 1.00 0.00 C ATOM 746 CE2 TYR A 46 4.330 0.452 6.742 1.00 0.00 C ATOM 747 CZ TYR A 46 3.919 0.757 5.481 1.00 0.00 C ATOM 748 OH TYR A 46 4.130 2.022 4.990 1.00 0.00 O ATOM 0 H TYR A 46 2.298 -5.535 7.358 1.00 0.00 H new ATOM 0 HA TYR A 46 1.736 -3.056 8.543 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.963 -3.435 7.836 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.477 -3.954 6.234 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.632 -2.193 4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.457 -1.056 8.256 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.979 0.059 3.705 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.812 1.205 7.348 1.00 0.00 H new ATOM 0 HH TYR A 46 5.093 2.189 4.918 1.00 0.00 H new ATOM 758 N ALA A 47 0.552 -3.490 5.518 1.00 0.00 N ATOM 759 CA ALA A 47 -0.349 -2.935 4.552 1.00 0.00 C ATOM 760 C ALA A 47 -1.728 -2.764 5.151 1.00 0.00 C ATOM 761 O ALA A 47 -2.334 -1.744 4.978 1.00 0.00 O ATOM 762 CB ALA A 47 -0.373 -3.771 3.311 1.00 0.00 C ATOM 0 H ALA A 47 0.951 -4.394 5.263 1.00 0.00 H new ATOM 0 HA ALA A 47 0.006 -1.945 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.063 -3.333 2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.627 -3.810 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.700 -4.781 3.559 1.00 0.00 H new ATOM 768 N LYS A 48 -2.172 -3.749 5.910 1.00 0.00 N ATOM 769 CA LYS A 48 -3.447 -3.700 6.609 1.00 0.00 C ATOM 770 C LYS A 48 -3.489 -2.608 7.678 1.00 0.00 C ATOM 771 O LYS A 48 -4.479 -1.891 7.790 1.00 0.00 O ATOM 772 CB LYS A 48 -3.729 -5.039 7.243 1.00 0.00 C ATOM 773 CG LYS A 48 -4.067 -6.124 6.241 1.00 0.00 C ATOM 774 CD LYS A 48 -4.109 -7.480 6.900 1.00 0.00 C ATOM 775 CE LYS A 48 -4.611 -8.551 5.943 1.00 0.00 C ATOM 776 NZ LYS A 48 -6.003 -8.298 5.469 1.00 0.00 N ATOM 0 H LYS A 48 -1.654 -4.615 6.061 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.212 -3.461 5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.859 -5.348 7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.557 -4.933 7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.032 -5.910 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.326 -6.128 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.112 -7.745 7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.757 -7.440 7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.944 -8.605 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.572 -9.521 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.409 -9.180 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.583 -7.957 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.989 -7.580 4.717 1.00 0.00 H new ATOM 790 N LYS A 49 -2.431 -2.485 8.467 1.00 0.00 N ATOM 791 CA LYS A 49 -2.396 -1.473 9.524 1.00 0.00 C ATOM 792 C LYS A 49 -2.447 -0.053 8.912 1.00 0.00 C ATOM 793 O LYS A 49 -3.193 0.840 9.385 1.00 0.00 O ATOM 794 CB LYS A 49 -1.159 -1.682 10.457 1.00 0.00 C ATOM 795 CG LYS A 49 0.178 -1.482 9.839 1.00 0.00 C ATOM 796 CD LYS A 49 1.295 -1.807 10.826 1.00 0.00 C ATOM 797 CE LYS A 49 2.661 -1.340 10.333 1.00 0.00 C ATOM 798 NZ LYS A 49 3.736 -1.620 11.315 1.00 0.00 N ATOM 0 H LYS A 49 -1.593 -3.063 8.401 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.280 -1.585 10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.250 -1.000 11.302 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.201 -2.694 10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.273 -2.115 8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.275 -0.450 9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.077 -1.336 11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.322 -2.883 10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.894 -1.835 9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.626 -0.270 10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.646 -1.286 10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.529 -1.127 12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.789 -2.644 11.490 1.00 0.00 H new ATOM 812 N VAL A 50 -1.722 0.109 7.820 1.00 0.00 N ATOM 813 CA VAL A 50 -1.663 1.355 7.088 1.00 0.00 C ATOM 814 C VAL A 50 -2.986 1.623 6.370 1.00 0.00 C ATOM 815 O VAL A 50 -3.531 2.726 6.456 1.00 0.00 O ATOM 816 CB VAL A 50 -0.456 1.345 6.107 1.00 0.00 C ATOM 817 CG1 VAL A 50 -0.503 2.492 5.121 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.827 1.419 6.906 1.00 0.00 C ATOM 0 H VAL A 50 -1.151 -0.632 7.414 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.509 2.174 7.791 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.502 0.421 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.362 2.439 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.417 2.427 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.488 3.438 5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.679 1.413 6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.838 2.337 7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.889 0.560 7.575 1.00 0.00 H new ATOM 828 N GLU A 51 -3.513 0.594 5.720 1.00 0.00 N ATOM 829 CA GLU A 51 -4.791 0.653 5.028 1.00 0.00 C ATOM 830 C GLU A 51 -5.871 1.074 6.016 1.00 0.00 C ATOM 831 O GLU A 51 -6.630 1.993 5.749 1.00 0.00 O ATOM 832 CB GLU A 51 -5.075 -0.728 4.385 1.00 0.00 C ATOM 833 CG GLU A 51 -6.356 -0.883 3.560 1.00 0.00 C ATOM 834 CD GLU A 51 -7.615 -1.112 4.416 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.500 -1.663 5.526 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.724 -0.830 3.968 1.00 0.00 O ATOM 0 H GLU A 51 -3.058 -0.317 5.658 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.776 1.393 4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.231 -0.978 3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.099 -1.470 5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.497 0.011 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.237 -1.720 2.873 1.00 0.00 H new ATOM 843 N GLY A 52 -5.860 0.448 7.193 1.00 0.00 N ATOM 844 CA GLY A 52 -6.807 0.763 8.242 1.00 0.00 C ATOM 845 C GLY A 52 -6.709 2.197 8.701 1.00 0.00 C ATOM 846 O GLY A 52 -7.725 2.830 9.005 1.00 0.00 O ATOM 0 H GLY A 52 -5.195 -0.286 7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.818 0.568 7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.636 0.101 9.091 1.00 0.00 H new ATOM 850 N ASP A 53 -5.493 2.711 8.747 1.00 0.00 N ATOM 851 CA ASP A 53 -5.245 4.105 9.131 1.00 0.00 C ATOM 852 C ASP A 53 -5.937 5.062 8.159 1.00 0.00 C ATOM 853 O ASP A 53 -6.725 5.915 8.563 1.00 0.00 O ATOM 854 CB ASP A 53 -3.749 4.373 9.151 1.00 0.00 C ATOM 855 CG ASP A 53 -3.393 5.740 9.687 1.00 0.00 C ATOM 856 OD1 ASP A 53 -3.212 5.874 10.914 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.264 6.694 8.904 1.00 0.00 O ATOM 0 H ASP A 53 -4.649 2.185 8.522 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.654 4.272 10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.259 3.613 9.760 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.356 4.273 8.139 1.00 0.00 H new ATOM 862 N MET A 54 -5.676 4.882 6.883 1.00 0.00 N ATOM 863 CA MET A 54 -6.290 5.719 5.828 1.00 0.00 C ATOM 864 C MET A 54 -7.764 5.464 5.655 1.00 0.00 C ATOM 865 O MET A 54 -8.504 6.356 5.263 1.00 0.00 O ATOM 866 CB MET A 54 -5.542 5.645 4.496 1.00 0.00 C ATOM 867 CG MET A 54 -5.027 4.295 4.107 1.00 0.00 C ATOM 868 SD MET A 54 -3.332 4.403 3.461 1.00 0.00 S ATOM 869 CE MET A 54 -2.481 5.260 4.800 1.00 0.00 C ATOM 0 H MET A 54 -5.042 4.165 6.531 1.00 0.00 H new ATOM 0 HA MET A 54 -6.192 6.744 6.185 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.207 5.999 3.708 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.700 6.336 4.536 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.049 3.631 4.971 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.680 3.857 3.352 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.406 5.101 4.709 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.696 6.327 4.744 1.00 0.00 H new ATOM 0 HE3 MET A 54 -2.825 4.870 5.758 1.00 0.00 H new ATOM 879 N TYR A 55 -8.178 4.270 5.972 1.00 0.00 N ATOM 880 CA TYR A 55 -9.558 3.884 5.956 1.00 0.00 C ATOM 881 C TYR A 55 -10.278 4.749 6.994 1.00 0.00 C ATOM 882 O TYR A 55 -11.241 5.419 6.699 1.00 0.00 O ATOM 883 CB TYR A 55 -9.597 2.403 6.334 1.00 0.00 C ATOM 884 CG TYR A 55 -10.904 1.687 6.239 1.00 0.00 C ATOM 885 CD1 TYR A 55 -11.297 1.084 5.056 1.00 0.00 C ATOM 886 CD2 TYR A 55 -11.710 1.552 7.346 1.00 0.00 C ATOM 887 CE1 TYR A 55 -12.463 0.363 4.981 1.00 0.00 C ATOM 888 CE2 TYR A 55 -12.892 0.842 7.282 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.260 0.245 6.094 1.00 0.00 C ATOM 890 OH TYR A 55 -14.419 -0.495 6.027 1.00 0.00 O ATOM 0 H TYR A 55 -7.548 3.520 6.256 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.041 4.023 4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.882 1.878 5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.240 2.311 7.360 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.676 1.182 4.178 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.413 2.008 8.279 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.752 -0.108 4.053 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.523 0.755 8.154 1.00 0.00 H new ATOM 0 HH TYR A 55 -14.610 -0.883 6.906 1.00 0.00 H new ATOM 900 N GLU A 56 -9.718 4.803 8.183 1.00 0.00 N ATOM 901 CA GLU A 56 -10.280 5.596 9.259 1.00 0.00 C ATOM 902 C GLU A 56 -10.048 7.097 9.075 1.00 0.00 C ATOM 903 O GLU A 56 -10.747 7.904 9.670 1.00 0.00 O ATOM 904 CB GLU A 56 -9.762 5.115 10.612 1.00 0.00 C ATOM 905 CG GLU A 56 -10.358 3.784 11.039 1.00 0.00 C ATOM 906 CD GLU A 56 -11.834 3.905 11.346 1.00 0.00 C ATOM 907 OE1 GLU A 56 -12.651 4.040 10.422 1.00 0.00 O ATOM 908 OE2 GLU A 56 -12.212 3.898 12.541 1.00 0.00 O ATOM 0 H GLU A 56 -8.865 4.302 8.432 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.360 5.450 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.677 5.023 10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.987 5.867 11.369 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.210 3.048 10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.832 3.416 11.920 1.00 0.00 H new ATOM 915 N SER A 57 -9.087 7.458 8.256 1.00 0.00 N ATOM 916 CA SER A 57 -8.786 8.854 7.989 1.00 0.00 C ATOM 917 C SER A 57 -9.778 9.441 6.971 1.00 0.00 C ATOM 918 O SER A 57 -9.956 10.670 6.893 1.00 0.00 O ATOM 919 CB SER A 57 -7.342 8.980 7.455 1.00 0.00 C ATOM 920 OG SER A 57 -6.923 10.339 7.313 1.00 0.00 O ATOM 0 H SER A 57 -8.491 6.798 7.756 1.00 0.00 H new ATOM 0 HA SER A 57 -8.879 9.415 8.919 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.662 8.463 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.271 8.479 6.489 1.00 0.00 H new ATOM 0 HG SER A 57 -6.004 10.364 6.974 1.00 0.00 H new ATOM 926 N ALA A 58 -10.428 8.584 6.220 1.00 0.00 N ATOM 927 CA ALA A 58 -11.289 9.020 5.155 1.00 0.00 C ATOM 928 C ALA A 58 -12.764 9.051 5.524 1.00 0.00 C ATOM 929 O ALA A 58 -13.208 8.432 6.499 1.00 0.00 O ATOM 930 CB ALA A 58 -11.082 8.161 3.961 1.00 0.00 C ATOM 0 H ALA A 58 -10.373 7.572 6.332 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.012 10.052 4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.736 8.494 3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.043 8.231 3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.314 7.126 4.213 1.00 0.00 H new ATOM 936 N ASN A 59 -13.509 9.785 4.728 1.00 0.00 N ATOM 937 CA ASN A 59 -14.945 9.954 4.904 1.00 0.00 C ATOM 938 C ASN A 59 -15.709 9.192 3.827 1.00 0.00 C ATOM 939 O ASN A 59 -16.930 9.287 3.740 1.00 0.00 O ATOM 940 CB ASN A 59 -15.316 11.440 4.842 1.00 0.00 C ATOM 941 CG ASN A 59 -14.620 12.287 5.895 1.00 0.00 C ATOM 942 OD1 ASN A 59 -15.138 12.499 6.995 1.00 0.00 O ATOM 943 ND2 ASN A 59 -13.444 12.763 5.581 1.00 0.00 N ATOM 0 H ASN A 59 -13.134 10.292 3.926 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.218 9.556 5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.067 11.827 3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -16.395 11.542 4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.926 13.328 6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.044 12.569 4.663 1.00 0.00 H new ATOM 950 N SER A 60 -14.988 8.445 3.024 1.00 0.00 N ATOM 951 CA SER A 60 -15.551 7.577 2.015 1.00 0.00 C ATOM 952 C SER A 60 -14.492 6.631 1.592 1.00 0.00 C ATOM 953 O SER A 60 -13.300 6.898 1.808 1.00 0.00 O ATOM 954 CB SER A 60 -16.057 8.352 0.803 1.00 0.00 C ATOM 955 OG SER A 60 -15.021 9.114 0.209 1.00 0.00 O ATOM 0 H SER A 60 -13.969 8.423 3.055 1.00 0.00 H new ATOM 0 HA SER A 60 -16.409 7.055 2.439 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.466 7.657 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 60 -16.870 9.013 1.105 1.00 0.00 H new ATOM 0 HG SER A 60 -15.374 9.598 -0.566 1.00 0.00 H new ATOM 961 N ARG A 61 -14.877 5.518 1.009 1.00 0.00 N ATOM 962 CA ARG A 61 -13.875 4.595 0.539 1.00 0.00 C ATOM 963 C ARG A 61 -13.203 5.152 -0.685 1.00 0.00 C ATOM 964 O ARG A 61 -12.089 4.826 -0.978 1.00 0.00 O ATOM 965 CB ARG A 61 -14.373 3.162 0.292 1.00 0.00 C ATOM 966 CG ARG A 61 -15.279 2.926 -0.903 1.00 0.00 C ATOM 967 CD ARG A 61 -16.552 3.656 -0.798 1.00 0.00 C ATOM 968 NE ARG A 61 -17.525 3.182 -1.784 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.227 3.960 -2.624 1.00 0.00 C ATOM 970 NH1 ARG A 61 -17.974 5.261 -2.708 1.00 0.00 N ATOM 971 NH2 ARG A 61 -19.168 3.428 -3.383 1.00 0.00 N ATOM 0 H ARG A 61 -15.845 5.237 0.853 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.157 4.496 1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.500 2.518 0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.904 2.833 1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.762 3.232 -1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.482 1.859 -0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.961 3.535 0.205 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.375 4.722 -0.943 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.683 2.176 -1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.242 5.676 -2.132 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.512 5.845 -3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.361 2.428 -3.331 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.702 4.017 -4.021 1.00 0.00 H new ATOM 985 N ASP A 62 -13.908 6.027 -1.366 1.00 0.00 N ATOM 986 CA ASP A 62 -13.410 6.683 -2.562 1.00 0.00 C ATOM 987 C ASP A 62 -12.252 7.576 -2.174 1.00 0.00 C ATOM 988 O ASP A 62 -11.197 7.583 -2.814 1.00 0.00 O ATOM 989 CB ASP A 62 -14.534 7.506 -3.177 1.00 0.00 C ATOM 990 CG ASP A 62 -14.146 8.194 -4.472 1.00 0.00 C ATOM 991 OD1 ASP A 62 -14.287 7.586 -5.548 1.00 0.00 O ATOM 992 OD2 ASP A 62 -13.725 9.359 -4.434 1.00 0.00 O ATOM 0 H ASP A 62 -14.853 6.309 -1.106 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.069 5.949 -3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.389 6.856 -3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.857 8.259 -2.458 1.00 0.00 H new ATOM 997 N GLU A 63 -12.448 8.301 -1.090 1.00 0.00 N ATOM 998 CA GLU A 63 -11.427 9.142 -0.524 1.00 0.00 C ATOM 999 C GLU A 63 -10.270 8.318 0.015 1.00 0.00 C ATOM 1000 O GLU A 63 -9.109 8.610 -0.285 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.027 10.034 0.554 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.020 10.797 1.380 1.00 0.00 C ATOM 1003 CD GLU A 63 -11.664 11.869 2.197 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -11.790 13.000 1.707 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -12.058 11.609 3.345 1.00 0.00 O ATOM 0 H GLU A 63 -13.330 8.319 -0.578 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.024 9.779 -1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.702 10.747 0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.630 9.418 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.493 10.106 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.274 11.242 0.722 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.585 7.263 0.759 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.558 6.444 1.365 1.00 0.00 C ATOM 1014 C TYR A 64 -8.716 5.762 0.293 1.00 0.00 C ATOM 1015 O TYR A 64 -7.490 5.800 0.353 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.174 5.461 2.409 1.00 0.00 C ATOM 1017 CG TYR A 64 -9.907 4.005 2.204 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -10.753 3.255 1.439 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -8.815 3.393 2.764 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -10.535 1.937 1.220 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -8.585 2.066 2.560 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.449 1.342 1.781 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.216 0.035 1.564 1.00 0.00 O ATOM 0 H TYR A 64 -11.540 6.961 0.952 1.00 0.00 H new ATOM 0 HA TYR A 64 -8.873 7.078 1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.804 5.738 3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.254 5.610 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -11.619 3.725 0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.132 3.968 3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.216 1.365 0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.727 1.588 3.009 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.688 -0.331 2.304 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.390 5.205 -0.709 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.738 4.581 -1.824 1.00 0.00 C ATOM 1035 C TYR A 65 -7.854 5.588 -2.562 1.00 0.00 C ATOM 1036 O TYR A 65 -6.711 5.296 -2.829 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.775 3.808 -2.736 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.393 3.587 -4.176 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -8.123 3.174 -4.563 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -10.330 3.811 -5.157 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.813 3.002 -5.886 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -10.028 3.644 -6.469 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.771 3.245 -6.832 1.00 0.00 C ATOM 1044 OH TYR A 65 -8.468 3.085 -8.146 1.00 0.00 O ATOM 0 H TYR A 65 -10.409 5.181 -0.758 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.058 3.808 -1.464 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.963 2.835 -2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.717 4.356 -2.716 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.371 2.986 -3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.325 4.126 -4.878 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.825 2.679 -6.179 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.778 3.826 -7.225 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.295 3.058 -8.671 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.355 6.795 -2.792 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.582 7.829 -3.492 1.00 0.00 C ATOM 1056 C HIS A 66 -6.351 8.259 -2.706 1.00 0.00 C ATOM 1057 O HIS A 66 -5.264 8.248 -3.237 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.456 9.050 -3.824 1.00 0.00 C ATOM 1059 CG HIS A 66 -7.738 10.227 -4.438 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -7.797 11.508 -3.931 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -6.967 10.301 -5.550 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -7.082 12.302 -4.728 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -6.556 11.617 -5.728 1.00 0.00 N ATOM 0 H HIS A 66 -9.290 7.088 -2.507 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.238 7.382 -4.425 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.244 8.733 -4.507 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.943 9.384 -2.908 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.713 9.472 -6.194 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.950 13.363 -4.577 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.968 11.980 -6.478 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.519 8.601 -1.446 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.407 9.124 -0.674 1.00 0.00 C ATOM 1073 C LEU A 67 -4.330 8.043 -0.443 1.00 0.00 C ATOM 1074 O LEU A 67 -3.113 8.335 -0.419 1.00 0.00 O ATOM 1075 CB LEU A 67 -5.907 9.817 0.632 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.518 8.938 1.734 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.449 8.342 2.600 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.504 9.704 2.585 1.00 0.00 C ATOM 0 H LEU A 67 -7.401 8.529 -0.938 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.914 9.907 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.065 10.357 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.651 10.562 0.349 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.058 8.134 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.908 7.724 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.787 7.728 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.873 9.140 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.912 9.045 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.998 10.544 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.314 10.076 1.958 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.765 6.786 -0.334 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.825 5.704 -0.154 1.00 0.00 C ATOM 1092 C LEU A 68 -3.153 5.417 -1.489 1.00 0.00 C ATOM 1093 O LEU A 68 -1.983 5.040 -1.551 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.508 4.448 0.472 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.215 3.415 -0.408 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.215 2.459 -1.037 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.196 2.645 0.428 1.00 0.00 C ATOM 0 H LEU A 68 -5.745 6.506 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.055 5.995 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.742 3.916 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.242 4.809 1.193 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.737 3.937 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.744 1.735 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.513 3.021 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.670 1.934 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.703 1.907 -0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.667 2.138 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.931 3.330 0.850 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.902 5.640 -2.555 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.416 5.493 -3.901 1.00 0.00 C ATOM 1111 C ALA A 69 -2.328 6.505 -4.165 1.00 0.00 C ATOM 1112 O ALA A 69 -1.360 6.223 -4.844 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.545 5.671 -4.892 1.00 0.00 C ATOM 0 H ALA A 69 -4.878 5.932 -2.501 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.007 4.490 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.161 5.557 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.313 4.919 -4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.976 6.665 -4.777 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.473 7.674 -3.588 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.482 8.694 -3.762 1.00 0.00 C ATOM 1121 C GLU A 70 -0.229 8.337 -2.986 1.00 0.00 C ATOM 1122 O GLU A 70 0.897 8.518 -3.480 1.00 0.00 O ATOM 1123 CB GLU A 70 -1.969 10.053 -3.312 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.305 10.484 -3.860 1.00 0.00 C ATOM 1125 CD GLU A 70 -3.404 11.983 -3.855 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -3.635 12.574 -2.784 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -3.151 12.609 -4.912 1.00 0.00 O ATOM 0 H GLU A 70 -3.264 7.936 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.267 8.750 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.026 10.056 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.224 10.797 -3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.430 10.107 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.108 10.056 -3.260 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.408 7.804 -1.768 1.00 0.00 N ATOM 1135 CA LYS A 71 0.742 7.454 -0.956 1.00 0.00 C ATOM 1136 C LYS A 71 1.513 6.309 -1.585 1.00 0.00 C ATOM 1137 O LYS A 71 2.725 6.311 -1.589 1.00 0.00 O ATOM 1138 CB LYS A 71 0.390 7.192 0.557 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.374 5.909 0.918 1.00 0.00 C ATOM 1140 CD LYS A 71 0.518 4.645 0.993 1.00 0.00 C ATOM 1141 CE LYS A 71 1.363 4.528 2.287 1.00 0.00 C ATOM 1142 NZ LYS A 71 2.341 5.638 2.511 1.00 0.00 N ATOM 0 H LYS A 71 -1.315 7.614 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 71 1.394 8.327 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.323 7.192 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.197 8.039 0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.867 6.051 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.158 5.745 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.117 3.763 0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.189 4.639 0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.687 4.483 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.908 3.584 2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.110 5.304 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.735 5.943 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.858 6.440 2.965 1.00 0.00 H new ATOM 1156 N ILE A 72 0.808 5.352 -2.147 1.00 0.00 N ATOM 1157 CA ILE A 72 1.468 4.219 -2.751 1.00 0.00 C ATOM 1158 C ILE A 72 2.227 4.656 -4.018 1.00 0.00 C ATOM 1159 O ILE A 72 3.363 4.282 -4.214 1.00 0.00 O ATOM 1160 CB ILE A 72 0.484 3.048 -3.063 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.239 1.829 -3.506 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.519 3.416 -4.082 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.371 0.712 -4.020 1.00 0.00 C ATOM 0 H ILE A 72 -0.211 5.336 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 72 2.184 3.836 -2.024 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.050 2.828 -2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.941 2.116 -4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.829 1.458 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.180 2.569 -4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.105 4.263 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.013 3.688 -5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.998 -0.128 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.314 0.393 -3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.200 1.061 -4.880 1.00 0.00 H new ATOM 1175 N TYR A 73 1.590 5.491 -4.816 1.00 0.00 N ATOM 1176 CA TYR A 73 2.128 6.019 -6.058 1.00 0.00 C ATOM 1177 C TYR A 73 3.457 6.749 -5.810 1.00 0.00 C ATOM 1178 O TYR A 73 4.510 6.441 -6.460 1.00 0.00 O ATOM 1179 CB TYR A 73 1.062 6.962 -6.634 1.00 0.00 C ATOM 1180 CG TYR A 73 1.391 7.708 -7.894 1.00 0.00 C ATOM 1181 CD1 TYR A 73 2.051 8.919 -7.843 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.995 7.228 -9.127 1.00 0.00 C ATOM 1183 CE1 TYR A 73 2.315 9.634 -8.993 1.00 0.00 C ATOM 1184 CE2 TYR A 73 1.259 7.923 -10.276 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.917 9.125 -10.209 1.00 0.00 C ATOM 1186 OH TYR A 73 2.179 9.821 -11.364 1.00 0.00 O ATOM 0 H TYR A 73 0.651 5.833 -4.612 1.00 0.00 H new ATOM 0 HA TYR A 73 2.348 5.219 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.161 6.376 -6.818 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.814 7.695 -5.866 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.366 9.313 -6.888 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.468 6.287 -9.185 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.828 10.583 -8.940 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.950 7.527 -11.232 1.00 0.00 H new ATOM 0 HH TYR A 73 1.832 9.322 -12.133 1.00 0.00 H new ATOM 1196 N LYS A 74 3.433 7.675 -4.850 1.00 0.00 N ATOM 1197 CA LYS A 74 4.614 8.449 -4.527 1.00 0.00 C ATOM 1198 C LYS A 74 5.689 7.533 -3.971 1.00 0.00 C ATOM 1199 O LYS A 74 6.844 7.687 -4.298 1.00 0.00 O ATOM 1200 CB LYS A 74 4.317 9.595 -3.538 1.00 0.00 C ATOM 1201 CG LYS A 74 4.021 9.142 -2.122 1.00 0.00 C ATOM 1202 CD LYS A 74 3.792 10.306 -1.169 1.00 0.00 C ATOM 1203 CE LYS A 74 2.594 11.160 -1.559 1.00 0.00 C ATOM 1204 NZ LYS A 74 2.403 12.275 -0.612 1.00 0.00 N ATOM 0 H LYS A 74 2.610 7.900 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 74 4.966 8.913 -5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.171 10.272 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.466 10.167 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.138 8.502 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.851 8.537 -1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.645 9.920 -0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.685 10.930 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.737 11.554 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.696 10.542 -1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.580 12.840 -0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.243 11.896 0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.252 12.876 -0.608 1.00 0.00 H new ATOM 1218 N ILE A 75 5.270 6.528 -3.187 1.00 0.00 N ATOM 1219 CA ILE A 75 6.179 5.568 -2.596 1.00 0.00 C ATOM 1220 C ILE A 75 6.910 4.809 -3.677 1.00 0.00 C ATOM 1221 O ILE A 75 8.115 4.589 -3.572 1.00 0.00 O ATOM 1222 CB ILE A 75 5.432 4.579 -1.612 1.00 0.00 C ATOM 1223 CG1 ILE A 75 5.614 4.988 -0.142 1.00 0.00 C ATOM 1224 CG2 ILE A 75 5.849 3.127 -1.809 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.137 6.373 0.212 1.00 0.00 C ATOM 0 H ILE A 75 4.290 6.369 -2.953 1.00 0.00 H new ATOM 0 HA ILE A 75 6.908 6.118 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 75 4.374 4.655 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.085 4.270 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.672 4.912 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.305 2.494 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.621 2.818 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.920 3.029 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.312 6.558 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.682 7.108 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.071 6.456 0.001 1.00 0.00 H new ATOM 1237 N GLN A 76 6.188 4.466 -4.741 1.00 0.00 N ATOM 1238 CA GLN A 76 6.757 3.694 -5.813 1.00 0.00 C ATOM 1239 C GLN A 76 7.848 4.466 -6.486 1.00 0.00 C ATOM 1240 O GLN A 76 8.965 3.987 -6.615 1.00 0.00 O ATOM 1241 CB GLN A 76 5.701 3.218 -6.815 1.00 0.00 C ATOM 1242 CG GLN A 76 4.616 2.410 -6.160 1.00 0.00 C ATOM 1243 CD GLN A 76 3.787 1.582 -7.106 1.00 0.00 C ATOM 1244 OE1 GLN A 76 2.574 1.332 -6.722 1.00 0.00 O flip ATOM 1245 NE2 GLN A 76 4.241 1.142 -8.159 1.00 0.00 N flip ATOM 0 H GLN A 76 5.208 4.717 -4.872 1.00 0.00 H new ATOM 0 HA GLN A 76 7.189 2.793 -5.377 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.258 4.082 -7.311 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.181 2.618 -7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.070 1.748 -5.423 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.956 3.087 -5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.200 1.358 -8.431 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.659 0.560 -8.762 1.00 0.00 H new ATOM 1254 N LYS A 77 7.567 5.688 -6.844 1.00 0.00 N ATOM 1255 CA LYS A 77 8.592 6.478 -7.485 1.00 0.00 C ATOM 1256 C LYS A 77 9.701 6.955 -6.530 1.00 0.00 C ATOM 1257 O LYS A 77 10.856 7.115 -6.954 1.00 0.00 O ATOM 1258 CB LYS A 77 7.985 7.563 -8.328 1.00 0.00 C ATOM 1259 CG LYS A 77 6.876 8.339 -7.655 1.00 0.00 C ATOM 1260 CD LYS A 77 5.998 9.024 -8.669 1.00 0.00 C ATOM 1261 CE LYS A 77 5.412 8.037 -9.716 1.00 0.00 C ATOM 1262 NZ LYS A 77 6.241 7.920 -10.957 1.00 0.00 N ATOM 0 H LYS A 77 6.668 6.151 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 77 9.127 5.819 -8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.771 8.259 -8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.595 7.118 -9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.274 7.664 -7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.305 9.081 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.181 9.529 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.575 9.793 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.314 7.052 -9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.408 8.363 -9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.617 7.835 -11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.837 8.766 -11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.846 7.077 -10.892 1.00 0.00 H new ATOM 1276 N GLU A 78 9.358 7.125 -5.252 1.00 0.00 N ATOM 1277 CA GLU A 78 10.314 7.498 -4.203 1.00 0.00 C ATOM 1278 C GLU A 78 11.326 6.362 -4.047 1.00 0.00 C ATOM 1279 O GLU A 78 12.542 6.584 -4.040 1.00 0.00 O ATOM 1280 CB GLU A 78 9.575 7.657 -2.872 1.00 0.00 C ATOM 1281 CG GLU A 78 10.352 8.357 -1.759 1.00 0.00 C ATOM 1282 CD GLU A 78 10.504 9.855 -1.954 1.00 0.00 C ATOM 1283 OE1 GLU A 78 9.490 10.599 -1.862 1.00 0.00 O ATOM 1284 OE2 GLU A 78 11.632 10.329 -2.160 1.00 0.00 O ATOM 0 H GLU A 78 8.404 7.007 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 78 10.808 8.432 -4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.656 8.214 -3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.284 6.668 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.849 8.175 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.343 7.909 -1.686 1.00 0.00 H new ATOM 1291 N LEU A 79 10.810 5.123 -3.956 1.00 0.00 N ATOM 1292 CA LEU A 79 11.652 3.955 -3.774 1.00 0.00 C ATOM 1293 C LEU A 79 12.535 3.747 -4.975 1.00 0.00 C ATOM 1294 O LEU A 79 13.709 3.386 -4.820 1.00 0.00 O ATOM 1295 CB LEU A 79 10.833 2.669 -3.436 1.00 0.00 C ATOM 1296 CG LEU A 79 9.936 2.057 -4.532 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.698 1.148 -5.494 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.795 1.320 -3.942 1.00 0.00 C ATOM 0 H LEU A 79 9.812 4.918 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 79 12.286 4.147 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.538 1.901 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.200 2.895 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 79 9.561 2.900 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.010 0.750 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.482 1.720 -5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.147 0.325 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.181 0.900 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.170 0.515 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.193 2.002 -3.341 1.00 0.00 H new ATOM 1310 N GLU A 80 11.975 3.987 -6.172 1.00 0.00 N ATOM 1311 CA GLU A 80 12.719 3.827 -7.404 1.00 0.00 C ATOM 1312 C GLU A 80 13.924 4.704 -7.398 1.00 0.00 C ATOM 1313 O GLU A 80 15.033 4.223 -7.510 1.00 0.00 O ATOM 1314 CB GLU A 80 11.901 4.227 -8.605 1.00 0.00 C ATOM 1315 CG GLU A 80 10.762 3.339 -8.998 1.00 0.00 C ATOM 1316 CD GLU A 80 10.133 3.862 -10.255 1.00 0.00 C ATOM 1317 OE1 GLU A 80 9.618 5.000 -10.245 1.00 0.00 O ATOM 1318 OE2 GLU A 80 10.225 3.185 -11.298 1.00 0.00 O ATOM 0 H GLU A 80 11.010 4.292 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 80 12.990 2.773 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.501 5.224 -8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.575 4.306 -9.458 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.117 2.320 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.023 3.301 -8.197 1.00 0.00 H new ATOM 1325 N GLU A 81 13.717 5.981 -7.174 1.00 0.00 N ATOM 1326 CA GLU A 81 14.803 6.913 -7.245 1.00 0.00 C ATOM 1327 C GLU A 81 15.798 6.715 -6.123 1.00 0.00 C ATOM 1328 O GLU A 81 16.992 6.789 -6.358 1.00 0.00 O ATOM 1329 CB GLU A 81 14.325 8.357 -7.329 1.00 0.00 C ATOM 1330 CG GLU A 81 13.447 8.795 -6.188 1.00 0.00 C ATOM 1331 CD GLU A 81 13.090 10.230 -6.290 1.00 0.00 C ATOM 1332 OE1 GLU A 81 12.115 10.564 -6.959 1.00 0.00 O ATOM 1333 OE2 GLU A 81 13.798 11.051 -5.704 1.00 0.00 O ATOM 0 H GLU A 81 12.811 6.390 -6.943 1.00 0.00 H new ATOM 0 HA GLU A 81 15.327 6.702 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 81 15.195 9.012 -7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.779 8.491 -8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.538 8.194 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.960 8.614 -5.244 1.00 0.00 H new ATOM 1340 N LYS A 82 15.321 6.419 -4.915 1.00 0.00 N ATOM 1341 CA LYS A 82 16.228 6.242 -3.790 1.00 0.00 C ATOM 1342 C LYS A 82 17.113 5.024 -3.970 1.00 0.00 C ATOM 1343 O LYS A 82 18.265 5.021 -3.568 1.00 0.00 O ATOM 1344 CB LYS A 82 15.491 6.285 -2.417 1.00 0.00 C ATOM 1345 CG LYS A 82 14.578 5.112 -2.081 1.00 0.00 C ATOM 1346 CD LYS A 82 15.340 3.923 -1.513 1.00 0.00 C ATOM 1347 CE LYS A 82 14.403 2.783 -1.222 1.00 0.00 C ATOM 1348 NZ LYS A 82 15.095 1.635 -0.601 1.00 0.00 N ATOM 0 H LYS A 82 14.332 6.299 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 82 16.900 7.100 -3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.243 6.364 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.896 7.198 -2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.827 5.436 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.045 4.802 -2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.103 3.601 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.857 4.218 -0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.609 3.128 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.928 2.460 -2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.467 1.187 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.346 0.943 -1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.959 1.966 -0.127 1.00 0.00 H new ATOM 1362 N ARG A 83 16.570 4.001 -4.590 1.00 0.00 N ATOM 1363 CA ARG A 83 17.318 2.800 -4.862 1.00 0.00 C ATOM 1364 C ARG A 83 18.243 3.017 -6.062 1.00 0.00 C ATOM 1365 O ARG A 83 19.421 2.657 -6.035 1.00 0.00 O ATOM 1366 CB ARG A 83 16.360 1.625 -5.142 1.00 0.00 C ATOM 1367 CG ARG A 83 17.058 0.293 -5.382 1.00 0.00 C ATOM 1368 CD ARG A 83 17.765 -0.190 -4.132 1.00 0.00 C ATOM 1369 NE ARG A 83 18.562 -1.390 -4.370 1.00 0.00 N ATOM 1370 CZ ARG A 83 19.010 -2.199 -3.402 1.00 0.00 C ATOM 1371 NH1 ARG A 83 18.519 -2.096 -2.167 1.00 0.00 N ATOM 1372 NH2 ARG A 83 19.879 -3.162 -3.692 1.00 0.00 N ATOM 0 H ARG A 83 15.604 3.980 -4.917 1.00 0.00 H new ATOM 0 HA ARG A 83 17.922 2.560 -3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.678 1.518 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.753 1.866 -6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 83 16.327 -0.451 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 83 17.779 0.398 -6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 83 18.411 0.603 -3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 83 17.027 -0.396 -3.357 1.00 0.00 H new ATOM 0 HE ARG A 83 18.792 -1.627 -5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.802 -1.401 -1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.860 -2.712 -1.429 1.00 0.00 H new ATOM 0 HH21 ARG A 83 20.204 -3.284 -4.651 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.221 -3.779 -2.955 1.00 0.00 H new ATOM 1386 N ARG A 84 17.703 3.634 -7.081 1.00 0.00 N ATOM 1387 CA ARG A 84 18.370 3.775 -8.355 1.00 0.00 C ATOM 1388 C ARG A 84 19.371 4.918 -8.410 1.00 0.00 C ATOM 1389 O ARG A 84 20.569 4.673 -8.578 1.00 0.00 O ATOM 1390 CB ARG A 84 17.302 3.963 -9.420 1.00 0.00 C ATOM 1391 CG ARG A 84 17.782 4.108 -10.831 1.00 0.00 C ATOM 1392 CD ARG A 84 16.600 4.396 -11.725 1.00 0.00 C ATOM 1393 NE ARG A 84 16.974 4.527 -13.125 1.00 0.00 N ATOM 1394 CZ ARG A 84 16.132 4.435 -14.157 1.00 0.00 C ATOM 1395 NH1 ARG A 84 14.845 4.118 -13.963 1.00 0.00 N ATOM 1396 NH2 ARG A 84 16.587 4.634 -15.388 1.00 0.00 N ATOM 0 H ARG A 84 16.776 4.059 -7.052 1.00 0.00 H new ATOM 0 HA ARG A 84 18.957 2.872 -8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.624 3.111 -9.377 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.719 4.848 -9.166 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.511 4.915 -10.900 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.285 3.196 -11.153 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.868 3.595 -11.622 1.00 0.00 H new ATOM 0 HD3 ARG A 84 16.115 5.315 -11.395 1.00 0.00 H new ATOM 0 HE ARG A 84 17.957 4.703 -13.334 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.499 3.944 -13.019 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.211 4.051 -14.759 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.571 4.855 -15.538 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.952 4.566 -16.184 1.00 0.00 H new ATOM 1410 N SER A 85 18.934 6.136 -8.179 1.00 0.00 N ATOM 1411 CA SER A 85 19.797 7.265 -8.436 1.00 0.00 C ATOM 1412 C SER A 85 19.470 8.519 -7.585 1.00 0.00 C ATOM 1413 O SER A 85 18.596 9.320 -7.952 1.00 0.00 O ATOM 1414 CB SER A 85 19.752 7.610 -9.935 1.00 0.00 C ATOM 1415 OG SER A 85 20.242 6.536 -10.744 1.00 0.00 O ATOM 0 H SER A 85 18.007 6.367 -7.822 1.00 0.00 H new ATOM 0 HA SER A 85 20.802 6.964 -8.139 1.00 0.00 H new ATOM 0 HB2 SER A 85 18.727 7.843 -10.223 1.00 0.00 H new ATOM 0 HB3 SER A 85 20.347 8.505 -10.120 1.00 0.00 H new ATOM 0 HG SER A 85 20.196 6.791 -11.689 1.00 0.00 H new ATOM 1421 N ARG A 86 20.135 8.610 -6.418 1.00 0.00 N ATOM 1422 CA ARG A 86 20.144 9.763 -5.506 1.00 0.00 C ATOM 1423 C ARG A 86 20.965 9.441 -4.263 1.00 0.00 C ATOM 1424 O ARG A 86 21.640 10.298 -3.718 1.00 0.00 O ATOM 1425 CB ARG A 86 18.751 10.229 -5.137 1.00 0.00 C ATOM 1426 CG ARG A 86 17.887 9.199 -4.481 1.00 0.00 C ATOM 1427 CD ARG A 86 16.496 9.719 -4.197 1.00 0.00 C ATOM 1428 NE ARG A 86 16.387 10.542 -2.979 1.00 0.00 N ATOM 1429 CZ ARG A 86 15.203 10.784 -2.368 1.00 0.00 C ATOM 1430 NH1 ARG A 86 14.079 10.649 -3.050 1.00 0.00 N ATOM 1431 NH2 ARG A 86 15.158 11.277 -1.132 1.00 0.00 N ATOM 0 H ARG A 86 20.709 7.841 -6.071 1.00 0.00 H new ATOM 0 HA ARG A 86 20.611 10.593 -6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 86 18.837 11.086 -4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 86 18.251 10.578 -6.040 1.00 0.00 H new ATOM 0 HG2 ARG A 86 17.821 8.320 -5.123 1.00 0.00 H new ATOM 0 HG3 ARG A 86 18.351 8.878 -3.548 1.00 0.00 H new ATOM 0 HD2 ARG A 86 16.162 10.309 -5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.816 8.872 -4.110 1.00 0.00 H new ATOM 0 HE ARG A 86 17.236 10.945 -2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.108 10.364 -4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.183 10.829 -2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 86 16.024 11.478 -0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.258 11.454 -0.686 1.00 0.00 H new ATOM 1445 N LEU A 87 20.912 8.185 -3.829 1.00 0.00 N ATOM 1446 CA LEU A 87 21.720 7.731 -2.694 1.00 0.00 C ATOM 1447 C LEU A 87 23.115 7.357 -3.159 1.00 0.00 C ATOM 1448 O LEU A 87 23.426 7.481 -4.362 1.00 0.00 O ATOM 1449 CB LEU A 87 21.065 6.539 -1.957 1.00 0.00 C ATOM 1450 CG LEU A 87 20.009 6.857 -0.868 1.00 0.00 C ATOM 1451 CD1 LEU A 87 18.853 7.670 -1.404 1.00 0.00 C ATOM 1452 CD2 LEU A 87 19.500 5.576 -0.230 1.00 0.00 C ATOM 0 H LEU A 87 20.321 7.463 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 87 21.785 8.558 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 87 20.594 5.901 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 87 21.859 5.954 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 87 20.506 7.464 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 87 18.142 7.865 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 87 19.225 8.616 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 87 18.357 7.116 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 87 18.759 5.818 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.043 4.946 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 87 20.332 5.043 0.229 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 23.302 14.076 9.635 1.00 0.00 N ATOM 1466 CA GLY B 101 22.538 13.111 8.896 1.00 0.00 C ATOM 1467 C GLY B 101 21.150 12.995 9.455 1.00 0.00 C ATOM 1468 O GLY B 101 20.887 13.482 10.568 1.00 0.00 O ATOM 0 HA2 GLY B 101 22.490 13.403 7.847 1.00 0.00 H new ATOM 0 HA3 GLY B 101 23.033 12.141 8.934 1.00 0.00 H new ATOM 1472 N SER B 102 20.265 12.404 8.710 1.00 0.00 N ATOM 1473 CA SER B 102 18.910 12.241 9.145 1.00 0.00 C ATOM 1474 C SER B 102 18.761 11.053 10.082 1.00 0.00 C ATOM 1475 O SER B 102 18.615 9.919 9.641 1.00 0.00 O ATOM 1476 CB SER B 102 17.979 12.095 7.945 1.00 0.00 C ATOM 1477 OG SER B 102 18.104 13.209 7.082 1.00 0.00 O ATOM 0 H SER B 102 20.461 12.022 7.785 1.00 0.00 H new ATOM 0 HA SER B 102 18.631 13.136 9.701 1.00 0.00 H new ATOM 0 HB2 SER B 102 18.216 11.179 7.403 1.00 0.00 H new ATOM 0 HB3 SER B 102 16.948 12.006 8.286 1.00 0.00 H new ATOM 0 HG SER B 102 17.502 13.099 6.317 1.00 0.00 H new ATOM 1483 N MET B 103 18.887 11.302 11.367 1.00 0.00 N ATOM 1484 CA MET B 103 18.598 10.276 12.357 1.00 0.00 C ATOM 1485 C MET B 103 17.101 10.305 12.574 1.00 0.00 C ATOM 1486 O MET B 103 16.456 9.303 12.872 1.00 0.00 O ATOM 1487 CB MET B 103 19.363 10.522 13.660 1.00 0.00 C ATOM 1488 CG MET B 103 20.883 10.542 13.489 1.00 0.00 C ATOM 1489 SD MET B 103 21.551 9.015 12.777 1.00 0.00 S ATOM 1490 CE MET B 103 21.127 7.826 14.055 1.00 0.00 C ATOM 0 H MET B 103 19.185 12.198 11.754 1.00 0.00 H new ATOM 0 HA MET B 103 18.921 9.295 12.009 1.00 0.00 H new ATOM 0 HB2 MET B 103 19.042 11.473 14.085 1.00 0.00 H new ATOM 0 HB3 MET B 103 19.098 9.746 14.378 1.00 0.00 H new ATOM 0 HG2 MET B 103 21.158 11.382 12.851 1.00 0.00 H new ATOM 0 HG3 MET B 103 21.348 10.714 14.460 1.00 0.00 H new ATOM 0 HE1 MET B 103 21.652 6.889 13.869 1.00 0.00 H new ATOM 0 HE2 MET B 103 21.420 8.219 15.029 1.00 0.00 H new ATOM 0 HE3 MET B 103 20.052 7.648 14.044 1.00 0.00 H new ATOM 1500 N SER B 104 16.576 11.481 12.376 1.00 0.00 N ATOM 1501 CA SER B 104 15.189 11.759 12.321 1.00 0.00 C ATOM 1502 C SER B 104 14.988 12.390 10.954 1.00 0.00 C ATOM 1503 O SER B 104 15.899 13.078 10.455 1.00 0.00 O ATOM 1504 CB SER B 104 14.804 12.743 13.443 1.00 0.00 C ATOM 1505 OG SER B 104 13.422 13.077 13.411 1.00 0.00 O ATOM 0 H SER B 104 17.149 12.314 12.242 1.00 0.00 H new ATOM 0 HA SER B 104 14.571 10.872 12.459 1.00 0.00 H new ATOM 0 HB2 SER B 104 15.048 12.303 14.410 1.00 0.00 H new ATOM 0 HB3 SER B 104 15.398 13.652 13.347 1.00 0.00 H new ATOM 0 HG SER B 104 13.219 13.701 14.139 1.00 0.00 H new ATOM 1511 N HIS B 105 13.880 12.151 10.326 1.00 0.00 N ATOM 1512 CA HIS B 105 13.665 12.679 8.995 1.00 0.00 C ATOM 1513 C HIS B 105 12.655 13.804 9.039 1.00 0.00 C ATOM 1514 O HIS B 105 13.012 14.976 8.918 1.00 0.00 O ATOM 1515 CB HIS B 105 13.220 11.571 8.002 1.00 0.00 C ATOM 1516 CG HIS B 105 14.248 10.486 7.751 1.00 0.00 C ATOM 1517 ND1 HIS B 105 14.752 10.183 6.509 1.00 0.00 N ATOM 1518 CD2 HIS B 105 14.838 9.611 8.611 1.00 0.00 C ATOM 1519 CE1 HIS B 105 15.607 9.166 6.637 1.00 0.00 C ATOM 1520 NE2 HIS B 105 15.698 8.777 7.900 1.00 0.00 N ATOM 0 H HIS B 105 13.109 11.599 10.701 1.00 0.00 H new ATOM 0 HA HIS B 105 14.614 13.073 8.631 1.00 0.00 H new ATOM 0 HB2 HIS B 105 12.310 11.107 8.382 1.00 0.00 H new ATOM 0 HB3 HIS B 105 12.966 12.038 7.050 1.00 0.00 H new ATOM 0 HD1 HIS B 105 14.513 10.655 5.637 1.00 0.00 H new ATOM 0 HD2 HIS B 105 14.666 9.570 9.676 1.00 0.00 H new ATOM 0 HE1 HIS B 105 16.153 8.719 5.819 1.00 0.00 H new ATOM 1528 N TYR B 106 11.419 13.427 9.281 1.00 0.00 N ATOM 1529 CA TYR B 106 10.269 14.316 9.334 1.00 0.00 C ATOM 1530 C TYR B 106 10.075 15.067 8.023 1.00 0.00 C ATOM 1531 O TYR B 106 10.649 16.132 7.787 1.00 0.00 O ATOM 1532 CB TYR B 106 10.289 15.261 10.550 1.00 0.00 C ATOM 1533 CG TYR B 106 9.046 16.115 10.642 1.00 0.00 C ATOM 1534 CD1 TYR B 106 7.811 15.531 10.876 1.00 0.00 C ATOM 1535 CD2 TYR B 106 9.101 17.490 10.464 1.00 0.00 C ATOM 1536 CE1 TYR B 106 6.668 16.289 10.935 1.00 0.00 C ATOM 1537 CE2 TYR B 106 7.956 18.255 10.519 1.00 0.00 C ATOM 1538 CZ TYR B 106 6.743 17.648 10.757 1.00 0.00 C ATOM 1539 OH TYR B 106 5.595 18.404 10.812 1.00 0.00 O ATOM 0 H TYR B 106 11.173 12.452 9.454 1.00 0.00 H new ATOM 0 HA TYR B 106 9.397 13.677 9.473 1.00 0.00 H new ATOM 0 HB2 TYR B 106 10.389 14.672 11.462 1.00 0.00 H new ATOM 0 HB3 TYR B 106 11.165 15.906 10.490 1.00 0.00 H new ATOM 0 HD1 TYR B 106 7.747 14.462 11.014 1.00 0.00 H new ATOM 0 HD2 TYR B 106 10.053 17.966 10.280 1.00 0.00 H new ATOM 0 HE1 TYR B 106 5.714 15.818 11.121 1.00 0.00 H new ATOM 0 HE2 TYR B 106 8.010 19.324 10.376 1.00 0.00 H new ATOM 0 HH TYR B 106 5.817 19.347 10.667 1.00 0.00 H new ATOM 1549 N GLY B 107 9.307 14.474 7.172 1.00 0.00 N ATOM 1550 CA GLY B 107 9.035 15.024 5.885 1.00 0.00 C ATOM 1551 C GLY B 107 9.218 13.969 4.844 1.00 0.00 C ATOM 1552 O GLY B 107 8.544 13.953 3.816 1.00 0.00 O ATOM 0 H GLY B 107 8.844 13.583 7.352 1.00 0.00 H new ATOM 0 HA2 GLY B 107 8.017 15.411 5.851 1.00 0.00 H new ATOM 0 HA3 GLY B 107 9.702 15.864 5.688 1.00 0.00 H new ATOM 1556 N ASN B 108 10.114 13.056 5.124 1.00 0.00 N ATOM 1557 CA ASN B 108 10.378 11.971 4.223 1.00 0.00 C ATOM 1558 C ASN B 108 10.393 10.629 4.932 1.00 0.00 C ATOM 1559 O ASN B 108 11.372 9.881 4.897 1.00 0.00 O ATOM 1560 CB ASN B 108 11.627 12.204 3.336 1.00 0.00 C ATOM 1561 CG ASN B 108 12.906 12.457 4.111 1.00 0.00 C ATOM 1562 OD1 ASN B 108 13.657 11.544 4.428 1.00 0.00 O ATOM 1563 ND2 ASN B 108 13.157 13.689 4.422 1.00 0.00 N ATOM 0 H ASN B 108 10.675 13.046 5.976 1.00 0.00 H new ATOM 0 HA ASN B 108 9.538 11.941 3.529 1.00 0.00 H new ATOM 0 HB2 ASN B 108 11.770 11.334 2.696 1.00 0.00 H new ATOM 0 HB3 ASN B 108 11.439 13.055 2.681 1.00 0.00 H new ATOM 0 HD21 ASN B 108 14.001 13.921 4.946 1.00 0.00 H new ATOM 0 HD22 ASN B 108 12.511 14.427 4.143 1.00 0.00 H new ATOM 1570 N GLN B 109 9.276 10.316 5.573 1.00 0.00 N ATOM 1571 CA GLN B 109 9.098 9.030 6.241 1.00 0.00 C ATOM 1572 C GLN B 109 9.116 7.937 5.205 1.00 0.00 C ATOM 1573 O GLN B 109 9.571 6.844 5.457 1.00 0.00 O ATOM 1574 CB GLN B 109 7.785 8.926 7.048 1.00 0.00 C ATOM 1575 CG GLN B 109 7.674 9.823 8.276 1.00 0.00 C ATOM 1576 CD GLN B 109 7.571 11.281 7.936 1.00 0.00 C ATOM 1577 OE1 GLN B 109 8.567 11.986 7.854 1.00 0.00 O ATOM 1578 NE2 GLN B 109 6.380 11.728 7.682 1.00 0.00 N ATOM 0 H GLN B 109 8.472 10.939 5.646 1.00 0.00 H new ATOM 0 HA GLN B 109 9.917 8.930 6.953 1.00 0.00 H new ATOM 0 HB2 GLN B 109 6.954 9.155 6.381 1.00 0.00 H new ATOM 0 HB3 GLN B 109 7.661 7.891 7.368 1.00 0.00 H new ATOM 0 HG2 GLN B 109 6.798 9.529 8.855 1.00 0.00 H new ATOM 0 HG3 GLN B 109 8.545 9.666 8.913 1.00 0.00 H new ATOM 0 HE21 GLN B 109 5.575 11.107 7.762 1.00 0.00 H new ATOM 0 HE22 GLN B 109 6.249 12.700 7.402 1.00 0.00 H new ATOM 1587 N THR B 110 8.640 8.267 4.019 1.00 0.00 N ATOM 1588 CA THR B 110 8.654 7.350 2.904 1.00 0.00 C ATOM 1589 C THR B 110 10.078 6.895 2.567 1.00 0.00 C ATOM 1590 O THR B 110 10.280 5.741 2.187 1.00 0.00 O ATOM 1591 CB THR B 110 7.973 7.954 1.648 1.00 0.00 C ATOM 1592 OG1 THR B 110 8.142 7.093 0.519 1.00 0.00 O ATOM 1593 CG2 THR B 110 8.509 9.339 1.323 1.00 0.00 C ATOM 0 H THR B 110 8.234 9.178 3.806 1.00 0.00 H new ATOM 0 HA THR B 110 8.078 6.478 3.212 1.00 0.00 H new ATOM 0 HB THR B 110 6.911 8.048 1.874 1.00 0.00 H new ATOM 0 HG1 THR B 110 7.833 7.551 -0.291 1.00 0.00 H new ATOM 0 HG21 THR B 110 8.005 9.725 0.437 1.00 0.00 H new ATOM 0 HG22 THR B 110 8.326 10.007 2.165 1.00 0.00 H new ATOM 0 HG23 THR B 110 9.581 9.279 1.134 1.00 0.00 H new ATOM 1601 N LEU B 111 11.055 7.779 2.750 1.00 0.00 N ATOM 1602 CA LEU B 111 12.422 7.453 2.445 1.00 0.00 C ATOM 1603 C LEU B 111 12.921 6.409 3.425 1.00 0.00 C ATOM 1604 O LEU B 111 13.403 5.362 3.019 1.00 0.00 O ATOM 1605 CB LEU B 111 13.313 8.701 2.484 1.00 0.00 C ATOM 1606 CG LEU B 111 14.787 8.495 2.105 1.00 0.00 C ATOM 1607 CD1 LEU B 111 14.922 8.066 0.650 1.00 0.00 C ATOM 1608 CD2 LEU B 111 15.587 9.756 2.365 1.00 0.00 C ATOM 0 H LEU B 111 10.913 8.723 3.108 1.00 0.00 H new ATOM 0 HA LEU B 111 12.469 7.050 1.433 1.00 0.00 H new ATOM 0 HB2 LEU B 111 12.888 9.447 1.812 1.00 0.00 H new ATOM 0 HB3 LEU B 111 13.273 9.119 3.490 1.00 0.00 H new ATOM 0 HG LEU B 111 15.187 7.697 2.731 1.00 0.00 H new ATOM 0 HD11 LEU B 111 15.976 7.927 0.408 1.00 0.00 H new ATOM 0 HD12 LEU B 111 14.388 7.129 0.496 1.00 0.00 H new ATOM 0 HD13 LEU B 111 14.499 8.835 0.003 1.00 0.00 H new ATOM 0 HD21 LEU B 111 16.629 9.589 2.090 1.00 0.00 H new ATOM 0 HD22 LEU B 111 15.181 10.574 1.770 1.00 0.00 H new ATOM 0 HD23 LEU B 111 15.528 10.013 3.423 1.00 0.00 H new ATOM 1620 N GLN B 112 12.731 6.673 4.713 1.00 0.00 N ATOM 1621 CA GLN B 112 13.184 5.762 5.763 1.00 0.00 C ATOM 1622 C GLN B 112 12.388 4.452 5.775 1.00 0.00 C ATOM 1623 O GLN B 112 12.972 3.379 5.898 1.00 0.00 O ATOM 1624 CB GLN B 112 13.168 6.429 7.152 1.00 0.00 C ATOM 1625 CG GLN B 112 11.811 6.978 7.572 1.00 0.00 C ATOM 1626 CD GLN B 112 11.787 7.600 8.954 1.00 0.00 C ATOM 1627 OE1 GLN B 112 11.024 8.531 9.216 1.00 0.00 O ATOM 1628 NE2 GLN B 112 12.572 7.082 9.852 1.00 0.00 N ATOM 0 H GLN B 112 12.265 7.512 5.058 1.00 0.00 H new ATOM 0 HA GLN B 112 14.219 5.514 5.527 1.00 0.00 H new ATOM 0 HB2 GLN B 112 13.497 5.702 7.894 1.00 0.00 H new ATOM 0 HB3 GLN B 112 13.893 7.243 7.159 1.00 0.00 H new ATOM 0 HG2 GLN B 112 11.495 7.726 6.845 1.00 0.00 H new ATOM 0 HG3 GLN B 112 11.080 6.170 7.538 1.00 0.00 H new ATOM 0 HE21 GLN B 112 13.193 6.312 9.604 1.00 0.00 H new ATOM 0 HE22 GLN B 112 12.567 7.446 10.805 1.00 0.00 H new ATOM 1637 N ASP B 113 11.074 4.543 5.603 1.00 0.00 N ATOM 1638 CA ASP B 113 10.181 3.371 5.626 1.00 0.00 C ATOM 1639 C ASP B 113 10.539 2.420 4.508 1.00 0.00 C ATOM 1640 O ASP B 113 10.899 1.266 4.747 1.00 0.00 O ATOM 1641 CB ASP B 113 8.701 3.812 5.534 1.00 0.00 C ATOM 1642 CG ASP B 113 7.695 2.664 5.584 1.00 0.00 C ATOM 1643 OD1 ASP B 113 7.798 1.806 6.489 1.00 0.00 O ATOM 1644 OD2 ASP B 113 6.748 2.657 4.769 1.00 0.00 O ATOM 0 H ASP B 113 10.590 5.427 5.443 1.00 0.00 H new ATOM 0 HA ASP B 113 10.313 2.847 6.573 1.00 0.00 H new ATOM 0 HB2 ASP B 113 8.489 4.501 6.352 1.00 0.00 H new ATOM 0 HB3 ASP B 113 8.557 4.365 4.606 1.00 0.00 H new ATOM 1649 N LEU B 114 10.559 2.937 3.301 1.00 0.00 N ATOM 1650 CA LEU B 114 10.886 2.145 2.131 1.00 0.00 C ATOM 1651 C LEU B 114 12.330 1.672 2.139 1.00 0.00 C ATOM 1652 O LEU B 114 12.650 0.627 1.595 1.00 0.00 O ATOM 1653 CB LEU B 114 10.581 2.908 0.856 1.00 0.00 C ATOM 1654 CG LEU B 114 9.371 2.425 0.056 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.571 0.993 -0.458 1.00 0.00 C ATOM 1656 CD2 LEU B 114 8.118 2.521 0.907 1.00 0.00 C ATOM 0 H LEU B 114 10.350 3.915 3.100 1.00 0.00 H new ATOM 0 HA LEU B 114 10.255 1.257 2.165 1.00 0.00 H new ATOM 0 HB2 LEU B 114 10.427 3.956 1.112 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.459 2.863 0.211 1.00 0.00 H new ATOM 0 HG LEU B 114 9.259 3.070 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU B 114 8.691 0.683 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU B 114 10.448 0.958 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU B 114 9.716 0.320 0.387 1.00 0.00 H new ATOM 0 HD21 LEU B 114 7.260 2.175 0.331 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.233 1.900 1.795 1.00 0.00 H new ATOM 0 HD23 LEU B 114 7.960 3.557 1.207 1.00 0.00 H new ATOM 1668 N LEU B 115 13.203 2.453 2.712 1.00 0.00 N ATOM 1669 CA LEU B 115 14.599 2.048 2.861 1.00 0.00 C ATOM 1670 C LEU B 115 14.708 0.840 3.805 1.00 0.00 C ATOM 1671 O LEU B 115 15.370 -0.142 3.483 1.00 0.00 O ATOM 1672 CB LEU B 115 15.468 3.207 3.366 1.00 0.00 C ATOM 1673 CG LEU B 115 16.983 2.977 3.369 1.00 0.00 C ATOM 1674 CD1 LEU B 115 17.493 2.739 1.952 1.00 0.00 C ATOM 1675 CD2 LEU B 115 17.697 4.165 3.997 1.00 0.00 C ATOM 0 H LEU B 115 12.986 3.376 3.088 1.00 0.00 H new ATOM 0 HA LEU B 115 14.971 1.760 1.878 1.00 0.00 H new ATOM 0 HB2 LEU B 115 15.258 4.083 2.753 1.00 0.00 H new ATOM 0 HB3 LEU B 115 15.158 3.448 4.383 1.00 0.00 H new ATOM 0 HG LEU B 115 17.195 2.089 3.964 1.00 0.00 H new ATOM 0 HD11 LEU B 115 18.571 2.578 1.975 1.00 0.00 H new ATOM 0 HD12 LEU B 115 17.004 1.860 1.532 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.270 3.609 1.334 1.00 0.00 H new ATOM 0 HD21 LEU B 115 18.772 3.987 3.992 1.00 0.00 H new ATOM 0 HD22 LEU B 115 17.476 5.066 3.425 1.00 0.00 H new ATOM 0 HD23 LEU B 115 17.355 4.294 5.024 1.00 0.00 H new ATOM 1687 N THR B 116 14.015 0.906 4.924 1.00 0.00 N ATOM 1688 CA THR B 116 14.023 -0.158 5.916 1.00 0.00 C ATOM 1689 C THR B 116 13.353 -1.425 5.348 1.00 0.00 C ATOM 1690 O THR B 116 13.832 -2.541 5.545 1.00 0.00 O ATOM 1691 CB THR B 116 13.295 0.309 7.195 1.00 0.00 C ATOM 1692 OG1 THR B 116 13.865 1.558 7.615 1.00 0.00 O ATOM 1693 CG2 THR B 116 13.437 -0.704 8.321 1.00 0.00 C ATOM 0 H THR B 116 13.427 1.701 5.175 1.00 0.00 H new ATOM 0 HA THR B 116 15.056 -0.398 6.168 1.00 0.00 H new ATOM 0 HB THR B 116 12.234 0.418 6.970 1.00 0.00 H new ATOM 0 HG1 THR B 116 13.460 2.290 7.105 1.00 0.00 H new ATOM 0 HG21 THR B 116 12.912 -0.342 9.205 1.00 0.00 H new ATOM 0 HG22 THR B 116 13.008 -1.657 8.010 1.00 0.00 H new ATOM 0 HG23 THR B 116 14.492 -0.841 8.556 1.00 0.00 H new ATOM 1701 N SER B 117 12.283 -1.231 4.611 1.00 0.00 N ATOM 1702 CA SER B 117 11.564 -2.318 3.984 1.00 0.00 C ATOM 1703 C SER B 117 12.337 -2.903 2.778 1.00 0.00 C ATOM 1704 O SER B 117 12.130 -4.034 2.380 1.00 0.00 O ATOM 1705 CB SER B 117 10.195 -1.822 3.593 1.00 0.00 C ATOM 1706 OG SER B 117 9.539 -1.298 4.748 1.00 0.00 O ATOM 0 H SER B 117 11.884 -0.310 4.428 1.00 0.00 H new ATOM 0 HA SER B 117 11.460 -3.140 4.692 1.00 0.00 H new ATOM 0 HB2 SER B 117 10.279 -1.051 2.827 1.00 0.00 H new ATOM 0 HB3 SER B 117 9.609 -2.635 3.164 1.00 0.00 H new ATOM 0 HG SER B 117 9.872 -0.395 4.932 1.00 0.00 H new ATOM 1712 N ASP B 118 13.225 -2.116 2.216 1.00 0.00 N ATOM 1713 CA ASP B 118 14.119 -2.578 1.142 1.00 0.00 C ATOM 1714 C ASP B 118 15.238 -3.425 1.766 1.00 0.00 C ATOM 1715 O ASP B 118 15.678 -4.438 1.216 1.00 0.00 O ATOM 1716 CB ASP B 118 14.680 -1.345 0.412 1.00 0.00 C ATOM 1717 CG ASP B 118 15.628 -1.613 -0.742 1.00 0.00 C ATOM 1718 OD1 ASP B 118 15.621 -2.694 -1.299 1.00 0.00 O ATOM 1719 OD2 ASP B 118 16.360 -0.648 -1.137 1.00 0.00 O ATOM 0 H ASP B 118 13.360 -1.139 2.478 1.00 0.00 H new ATOM 0 HA ASP B 118 13.587 -3.195 0.418 1.00 0.00 H new ATOM 0 HB2 ASP B 118 13.841 -0.761 0.035 1.00 0.00 H new ATOM 0 HB3 ASP B 118 15.199 -0.723 1.142 1.00 0.00 H new ATOM 1724 N SER B 119 15.631 -3.021 2.959 1.00 0.00 N ATOM 1725 CA SER B 119 16.659 -3.677 3.752 1.00 0.00 C ATOM 1726 C SER B 119 16.112 -4.970 4.426 1.00 0.00 C ATOM 1727 O SER B 119 16.872 -5.782 4.948 1.00 0.00 O ATOM 1728 CB SER B 119 17.175 -2.673 4.810 1.00 0.00 C ATOM 1729 OG SER B 119 18.218 -3.208 5.604 1.00 0.00 O ATOM 0 H SER B 119 15.233 -2.202 3.419 1.00 0.00 H new ATOM 0 HA SER B 119 17.480 -3.983 3.104 1.00 0.00 H new ATOM 0 HB2 SER B 119 17.530 -1.773 4.309 1.00 0.00 H new ATOM 0 HB3 SER B 119 16.349 -2.374 5.455 1.00 0.00 H new ATOM 0 HG SER B 119 18.099 -4.177 5.691 1.00 0.00 H new ATOM 1735 N LEU B 120 14.797 -5.146 4.357 1.00 0.00 N ATOM 1736 CA LEU B 120 14.024 -6.222 5.019 1.00 0.00 C ATOM 1737 C LEU B 120 14.458 -7.657 4.615 1.00 0.00 C ATOM 1738 O LEU B 120 14.115 -8.622 5.294 1.00 0.00 O ATOM 1739 CB LEU B 120 12.569 -6.042 4.603 1.00 0.00 C ATOM 1740 CG LEU B 120 11.543 -6.957 5.230 1.00 0.00 C ATOM 1741 CD1 LEU B 120 11.151 -6.478 6.607 1.00 0.00 C ATOM 1742 CD2 LEU B 120 10.343 -7.100 4.336 1.00 0.00 C ATOM 0 H LEU B 120 14.201 -4.519 3.816 1.00 0.00 H new ATOM 0 HA LEU B 120 14.192 -6.135 6.092 1.00 0.00 H new ATOM 0 HB2 LEU B 120 12.281 -5.014 4.823 1.00 0.00 H new ATOM 0 HB3 LEU B 120 12.511 -6.164 3.521 1.00 0.00 H new ATOM 0 HG LEU B 120 11.994 -7.942 5.346 1.00 0.00 H new ATOM 0 HD11 LEU B 120 10.412 -7.157 7.032 1.00 0.00 H new ATOM 0 HD12 LEU B 120 12.032 -6.454 7.248 1.00 0.00 H new ATOM 0 HD13 LEU B 120 10.726 -5.477 6.537 1.00 0.00 H new ATOM 0 HD21 LEU B 120 9.616 -7.763 4.806 1.00 0.00 H new ATOM 0 HD22 LEU B 120 9.891 -6.121 4.175 1.00 0.00 H new ATOM 0 HD23 LEU B 120 10.651 -7.520 3.378 1.00 0.00 H new ATOM 1754 N SER B 121 15.251 -7.763 3.578 1.00 0.00 N ATOM 1755 CA SER B 121 15.600 -9.022 2.935 1.00 0.00 C ATOM 1756 C SER B 121 16.184 -10.132 3.856 1.00 0.00 C ATOM 1757 O SER B 121 16.072 -11.309 3.530 1.00 0.00 O ATOM 1758 CB SER B 121 16.530 -8.718 1.771 1.00 0.00 C ATOM 1759 OG SER B 121 17.584 -7.847 2.185 1.00 0.00 O ATOM 0 H SER B 121 15.690 -6.954 3.138 1.00 0.00 H new ATOM 0 HA SER B 121 14.662 -9.463 2.599 1.00 0.00 H new ATOM 0 HB2 SER B 121 16.949 -9.646 1.381 1.00 0.00 H new ATOM 0 HB3 SER B 121 15.967 -8.257 0.959 1.00 0.00 H new ATOM 0 HG SER B 121 18.174 -7.663 1.424 1.00 0.00 H new ATOM 1765 N HIS B 122 16.726 -9.779 5.004 1.00 0.00 N ATOM 1766 CA HIS B 122 17.379 -10.769 5.874 1.00 0.00 C ATOM 1767 C HIS B 122 16.394 -11.647 6.720 1.00 0.00 C ATOM 1768 O HIS B 122 16.424 -11.608 7.947 1.00 0.00 O ATOM 1769 CB HIS B 122 18.494 -10.121 6.754 1.00 0.00 C ATOM 1770 CG HIS B 122 18.042 -8.989 7.656 1.00 0.00 C ATOM 1771 ND1 HIS B 122 17.784 -9.133 9.004 1.00 0.00 N ATOM 1772 CD2 HIS B 122 17.829 -7.682 7.380 1.00 0.00 C ATOM 1773 CE1 HIS B 122 17.427 -7.953 9.490 1.00 0.00 C ATOM 1774 NE2 HIS B 122 17.439 -7.025 8.546 1.00 0.00 N ATOM 0 H HIS B 122 16.734 -8.825 5.365 1.00 0.00 H new ATOM 0 HA HIS B 122 17.856 -11.473 5.192 1.00 0.00 H new ATOM 0 HB2 HIS B 122 18.941 -10.899 7.373 1.00 0.00 H new ATOM 0 HB3 HIS B 122 19.279 -9.747 6.097 1.00 0.00 H new ATOM 0 HD2 HIS B 122 17.943 -7.221 6.410 1.00 0.00 H new ATOM 0 HE1 HIS B 122 17.161 -7.772 10.521 1.00 0.00 H new ATOM 0 HE2 HIS B 122 17.211 -6.036 8.650 1.00 0.00 H new ATOM 1782 N SER B 123 15.547 -12.430 6.025 1.00 0.00 N ATOM 1783 CA SER B 123 14.565 -13.397 6.616 1.00 0.00 C ATOM 1784 C SER B 123 13.685 -12.843 7.767 1.00 0.00 C ATOM 1785 O SER B 123 14.140 -12.698 8.915 1.00 0.00 O ATOM 1786 CB SER B 123 15.261 -14.692 7.036 1.00 0.00 C ATOM 1787 OG SER B 123 15.872 -15.337 5.914 1.00 0.00 O ATOM 0 H SER B 123 15.516 -12.417 5.006 1.00 0.00 H new ATOM 0 HA SER B 123 13.861 -13.598 5.808 1.00 0.00 H new ATOM 0 HB2 SER B 123 16.017 -14.474 7.790 1.00 0.00 H new ATOM 0 HB3 SER B 123 14.537 -15.365 7.496 1.00 0.00 H new ATOM 0 HG SER B 123 16.311 -16.161 6.210 1.00 0.00 H new ATOM 1793 N ASP B 124 12.435 -12.575 7.461 1.00 0.00 N ATOM 1794 CA ASP B 124 11.479 -12.041 8.431 1.00 0.00 C ATOM 1795 C ASP B 124 10.137 -12.718 8.265 1.00 0.00 C ATOM 1796 O ASP B 124 9.987 -13.633 7.443 1.00 0.00 O ATOM 1797 CB ASP B 124 11.297 -10.523 8.266 1.00 0.00 C ATOM 1798 CG ASP B 124 10.760 -10.146 6.905 1.00 0.00 C ATOM 1799 OD1 ASP B 124 11.565 -10.094 5.955 1.00 0.00 O ATOM 1800 OD2 ASP B 124 9.546 -9.906 6.765 1.00 0.00 O ATOM 0 H ASP B 124 12.042 -12.719 6.531 1.00 0.00 H new ATOM 0 HA ASP B 124 11.877 -12.238 9.426 1.00 0.00 H new ATOM 0 HB2 ASP B 124 10.617 -10.157 9.035 1.00 0.00 H new ATOM 0 HB3 ASP B 124 12.254 -10.027 8.425 1.00 0.00 H new ATOM 1805 N GLY B 125 9.181 -12.271 9.038 1.00 0.00 N ATOM 1806 CA GLY B 125 7.863 -12.811 9.018 1.00 0.00 C ATOM 1807 C GLY B 125 7.149 -12.435 10.277 1.00 0.00 C ATOM 1808 O GLY B 125 7.757 -11.834 11.169 1.00 0.00 O ATOM 0 H GLY B 125 9.307 -11.510 9.706 1.00 0.00 H new ATOM 0 HA2 GLY B 125 7.318 -12.435 8.152 1.00 0.00 H new ATOM 0 HA3 GLY B 125 7.905 -13.896 8.922 1.00 0.00 H new ATOM 1812 N GLY B 126 5.888 -12.751 10.365 1.00 0.00 N ATOM 1813 CA GLY B 126 5.145 -12.444 11.561 1.00 0.00 C ATOM 1814 C GLY B 126 4.195 -11.288 11.372 1.00 0.00 C ATOM 1815 O GLY B 126 4.609 -10.118 11.302 1.00 0.00 O ATOM 0 H GLY B 126 5.354 -13.217 9.632 1.00 0.00 H new ATOM 0 HA2 GLY B 126 4.583 -13.325 11.871 1.00 0.00 H new ATOM 0 HA3 GLY B 126 5.841 -12.210 12.367 1.00 0.00 H new ATOM 1819 N GLY B 127 2.943 -11.608 11.259 1.00 0.00 N ATOM 1820 CA GLY B 127 1.930 -10.618 11.093 1.00 0.00 C ATOM 1821 C GLY B 127 0.578 -11.259 11.014 1.00 0.00 C ATOM 1822 O GLY B 127 0.210 -12.038 11.893 1.00 0.00 O ATOM 0 H GLY B 127 2.596 -12.567 11.280 1.00 0.00 H new ATOM 0 HA2 GLY B 127 1.958 -9.917 11.927 1.00 0.00 H new ATOM 0 HA3 GLY B 127 2.120 -10.043 10.187 1.00 0.00 H new ATOM 1826 N SER B 128 -0.144 -10.959 9.972 1.00 0.00 N ATOM 1827 CA SER B 128 -1.460 -11.508 9.735 1.00 0.00 C ATOM 1828 C SER B 128 -1.705 -11.507 8.241 1.00 0.00 C ATOM 1829 O SER B 128 -1.671 -10.450 7.619 1.00 0.00 O ATOM 1830 CB SER B 128 -2.535 -10.660 10.438 1.00 0.00 C ATOM 1831 OG SER B 128 -2.304 -10.579 11.849 1.00 0.00 O ATOM 0 H SER B 128 0.167 -10.314 9.246 1.00 0.00 H new ATOM 0 HA SER B 128 -1.515 -12.521 10.133 1.00 0.00 H new ATOM 0 HB2 SER B 128 -2.544 -9.657 10.012 1.00 0.00 H new ATOM 0 HB3 SER B 128 -3.518 -11.093 10.254 1.00 0.00 H new ATOM 0 HG SER B 128 -3.003 -10.032 12.264 1.00 0.00 H new ATOM 1837 N GLY B 129 -1.917 -12.679 7.668 1.00 0.00 N ATOM 1838 CA GLY B 129 -2.119 -12.796 6.239 1.00 0.00 C ATOM 1839 C GLY B 129 -3.476 -12.278 5.791 1.00 0.00 C ATOM 1840 O GLY B 129 -4.340 -11.956 6.623 1.00 0.00 O ATOM 0 H GLY B 129 -1.953 -13.564 8.174 1.00 0.00 H new ATOM 0 HA2 GLY B 129 -1.335 -12.244 5.720 1.00 0.00 H new ATOM 0 HA3 GLY B 129 -2.020 -13.842 5.947 1.00 0.00 H new ATOM 1844 N GLY B 130 -3.665 -12.186 4.493 1.00 0.00 N ATOM 1845 CA GLY B 130 -4.911 -11.715 3.953 1.00 0.00 C ATOM 1846 C GLY B 130 -4.910 -11.750 2.447 1.00 0.00 C ATOM 1847 O GLY B 130 -3.835 -11.849 1.826 1.00 0.00 O ATOM 0 H GLY B 130 -2.965 -12.434 3.793 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -5.728 -12.329 4.331 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -5.094 -10.696 4.294 1.00 0.00 H new ATOM 1851 N GLY B 131 -6.077 -11.686 1.866 1.00 0.00 N ATOM 1852 CA GLY B 131 -6.223 -11.725 0.434 1.00 0.00 C ATOM 1853 C GLY B 131 -7.503 -12.428 0.063 1.00 0.00 C ATOM 1854 O GLY B 131 -8.281 -12.783 0.960 1.00 0.00 O ATOM 0 H GLY B 131 -6.958 -11.605 2.374 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -6.226 -10.711 0.033 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -5.373 -12.241 -0.012 1.00 0.00 H new ATOM 1858 N SER B 132 -7.710 -12.640 -1.237 1.00 0.00 N ATOM 1859 CA SER B 132 -8.884 -13.324 -1.794 1.00 0.00 C ATOM 1860 C SER B 132 -10.188 -12.512 -1.582 1.00 0.00 C ATOM 1861 O SER B 132 -10.781 -12.502 -0.484 1.00 0.00 O ATOM 1862 CB SER B 132 -8.999 -14.755 -1.234 1.00 0.00 C ATOM 1863 OG SER B 132 -7.764 -15.465 -1.405 1.00 0.00 O ATOM 0 H SER B 132 -7.051 -12.334 -1.953 1.00 0.00 H new ATOM 0 HA SER B 132 -8.742 -13.399 -2.872 1.00 0.00 H new ATOM 0 HB2 SER B 132 -9.260 -14.718 -0.176 1.00 0.00 H new ATOM 0 HB3 SER B 132 -9.804 -15.287 -1.742 1.00 0.00 H new ATOM 0 HG SER B 132 -7.855 -16.371 -1.042 1.00 0.00 H new ATOM 1869 N GLY B 133 -10.616 -11.824 -2.620 1.00 0.00 N ATOM 1870 CA GLY B 133 -11.800 -11.010 -2.524 1.00 0.00 C ATOM 1871 C GLY B 133 -12.980 -11.592 -3.276 1.00 0.00 C ATOM 1872 O GLY B 133 -13.639 -12.512 -2.789 1.00 0.00 O ATOM 0 H GLY B 133 -10.162 -11.815 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -12.068 -10.890 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -11.583 -10.015 -2.913 1.00 0.00 H new ATOM 1876 N GLY B 134 -13.271 -11.049 -4.430 1.00 0.00 N ATOM 1877 CA GLY B 134 -14.366 -11.551 -5.226 1.00 0.00 C ATOM 1878 C GLY B 134 -14.967 -10.523 -6.180 1.00 0.00 C ATOM 1879 O GLY B 134 -15.978 -10.807 -6.829 1.00 0.00 O ATOM 0 H GLY B 134 -12.768 -10.262 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -14.018 -12.407 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -15.149 -11.913 -4.560 1.00 0.00 H new ATOM 1883 N GLY B 135 -14.384 -9.339 -6.262 1.00 0.00 N ATOM 1884 CA GLY B 135 -14.875 -8.353 -7.205 1.00 0.00 C ATOM 1885 C GLY B 135 -15.817 -7.316 -6.604 1.00 0.00 C ATOM 1886 O GLY B 135 -17.044 -7.391 -6.782 1.00 0.00 O ATOM 0 H GLY B 135 -13.587 -9.042 -5.699 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -14.023 -7.837 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -15.392 -8.869 -8.014 1.00 0.00 H new ATOM 1890 N SER B 136 -15.253 -6.383 -5.884 1.00 0.00 N ATOM 1891 CA SER B 136 -15.954 -5.242 -5.339 1.00 0.00 C ATOM 1892 C SER B 136 -15.698 -4.069 -6.316 1.00 0.00 C ATOM 1893 O SER B 136 -15.772 -4.268 -7.537 1.00 0.00 O ATOM 1894 CB SER B 136 -15.385 -4.961 -3.923 1.00 0.00 C ATOM 1895 OG SER B 136 -16.044 -3.886 -3.252 1.00 0.00 O ATOM 0 H SER B 136 -14.260 -6.393 -5.651 1.00 0.00 H new ATOM 0 HA SER B 136 -17.028 -5.400 -5.238 1.00 0.00 H new ATOM 0 HB2 SER B 136 -15.471 -5.864 -3.319 1.00 0.00 H new ATOM 0 HB3 SER B 136 -14.322 -4.732 -4.005 1.00 0.00 H new ATOM 0 HG SER B 136 -16.544 -4.236 -2.485 1.00 0.00 H new ATOM 1901 N LEU B 137 -15.380 -2.867 -5.801 1.00 0.00 N ATOM 1902 CA LEU B 137 -15.078 -1.685 -6.650 1.00 0.00 C ATOM 1903 C LEU B 137 -13.979 -1.996 -7.674 1.00 0.00 C ATOM 1904 O LEU B 137 -13.973 -1.455 -8.774 1.00 0.00 O ATOM 1905 CB LEU B 137 -14.686 -0.433 -5.795 1.00 0.00 C ATOM 1906 CG LEU B 137 -15.746 0.082 -4.824 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -15.203 1.253 -4.034 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -17.007 0.498 -5.562 1.00 0.00 C ATOM 0 H LEU B 137 -15.324 -2.682 -4.799 1.00 0.00 H new ATOM 0 HA LEU B 137 -15.995 -1.447 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -13.789 -0.675 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -14.423 0.377 -6.475 1.00 0.00 H new ATOM 0 HG LEU B 137 -16.000 -0.728 -4.140 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -15.967 1.612 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -14.326 0.936 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -14.925 2.055 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -17.745 0.861 -4.846 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -16.769 1.291 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -17.413 -0.359 -6.099 1.00 0.00 H new ATOM 1920 N GLU B 138 -13.104 -2.943 -7.330 1.00 0.00 N ATOM 1921 CA GLU B 138 -11.986 -3.315 -8.182 1.00 0.00 C ATOM 1922 C GLU B 138 -12.405 -4.016 -9.481 1.00 0.00 C ATOM 1923 O GLU B 138 -11.604 -4.122 -10.420 1.00 0.00 O ATOM 1924 CB GLU B 138 -10.857 -4.046 -7.397 1.00 0.00 C ATOM 1925 CG GLU B 138 -11.222 -5.341 -6.694 1.00 0.00 C ATOM 1926 CD GLU B 138 -11.154 -6.570 -7.573 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -12.123 -6.869 -8.287 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -10.098 -7.271 -7.568 1.00 0.00 O ATOM 0 H GLU B 138 -13.155 -3.468 -6.457 1.00 0.00 H new ATOM 0 HA GLU B 138 -11.543 -2.379 -8.522 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -10.045 -4.258 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -10.465 -3.356 -6.650 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -10.554 -5.480 -5.844 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -12.232 -5.251 -6.294 1.00 0.00 H new ATOM 1935 N CYS B 139 -13.664 -4.432 -9.551 1.00 0.00 N ATOM 1936 CA CYS B 139 -14.213 -5.112 -10.716 1.00 0.00 C ATOM 1937 C CYS B 139 -14.238 -4.183 -11.946 1.00 0.00 C ATOM 1938 O CYS B 139 -14.066 -4.631 -13.082 1.00 0.00 O ATOM 1939 CB CYS B 139 -15.626 -5.636 -10.392 1.00 0.00 C ATOM 1940 SG CYS B 139 -16.456 -6.525 -11.735 1.00 0.00 S ATOM 0 H CYS B 139 -14.337 -4.306 -8.795 1.00 0.00 H new ATOM 0 HA CYS B 139 -13.569 -5.957 -10.962 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -15.560 -6.298 -9.528 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -16.249 -4.791 -10.099 1.00 0.00 H new ATOM 0 HG CYS B 139 -17.631 -6.914 -11.337 1.00 0.00 H new ATOM 1946 N ASP B 140 -14.407 -2.896 -11.720 1.00 0.00 N ATOM 1947 CA ASP B 140 -14.461 -1.907 -12.816 1.00 0.00 C ATOM 1948 C ASP B 140 -13.502 -0.768 -12.531 1.00 0.00 C ATOM 1949 O ASP B 140 -13.618 0.334 -13.065 1.00 0.00 O ATOM 1950 CB ASP B 140 -15.900 -1.377 -13.024 1.00 0.00 C ATOM 1951 CG ASP B 140 -16.537 -0.795 -11.781 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -16.357 0.412 -11.497 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -17.257 -1.543 -11.073 1.00 0.00 O ATOM 0 H ASP B 140 -14.511 -2.494 -10.788 1.00 0.00 H new ATOM 0 HA ASP B 140 -14.158 -2.400 -13.740 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -15.884 -0.613 -13.801 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -16.525 -2.191 -13.391 1.00 0.00 H new ATOM 1958 N MET B 141 -12.496 -1.074 -11.769 1.00 0.00 N ATOM 1959 CA MET B 141 -11.573 -0.071 -11.280 1.00 0.00 C ATOM 1960 C MET B 141 -10.266 -0.034 -12.085 1.00 0.00 C ATOM 1961 O MET B 141 -9.484 0.872 -11.905 1.00 0.00 O ATOM 1962 CB MET B 141 -11.283 -0.348 -9.817 1.00 0.00 C ATOM 1963 CG MET B 141 -10.592 0.759 -9.062 1.00 0.00 C ATOM 1964 SD MET B 141 -10.295 0.321 -7.335 1.00 0.00 S ATOM 1965 CE MET B 141 -9.216 -1.080 -7.516 1.00 0.00 C ATOM 0 H MET B 141 -12.284 -2.024 -11.463 1.00 0.00 H new ATOM 0 HA MET B 141 -12.039 0.907 -11.398 1.00 0.00 H new ATOM 0 HB2 MET B 141 -12.225 -0.571 -9.316 1.00 0.00 H new ATOM 0 HB3 MET B 141 -10.667 -1.245 -9.752 1.00 0.00 H new ATOM 0 HG2 MET B 141 -9.643 0.989 -9.546 1.00 0.00 H new ATOM 0 HG3 MET B 141 -11.200 1.662 -9.107 1.00 0.00 H new ATOM 0 HE1 MET B 141 -8.737 -1.296 -6.561 1.00 0.00 H new ATOM 0 HE2 MET B 141 -9.795 -1.946 -7.835 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.454 -0.858 -8.263 1.00 0.00 H new ATOM 1975 N GLU B 142 -10.059 -1.025 -12.961 1.00 0.00 N ATOM 1976 CA GLU B 142 -8.798 -1.216 -13.756 1.00 0.00 C ATOM 1977 C GLU B 142 -8.114 0.097 -14.215 1.00 0.00 C ATOM 1978 O GLU B 142 -7.021 0.430 -13.740 1.00 0.00 O ATOM 1979 CB GLU B 142 -9.077 -2.149 -14.956 1.00 0.00 C ATOM 1980 CG GLU B 142 -7.952 -2.300 -15.975 1.00 0.00 C ATOM 1981 CD GLU B 142 -6.661 -2.796 -15.385 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -6.600 -3.965 -14.946 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -5.670 -2.043 -15.402 1.00 0.00 O ATOM 0 H GLU B 142 -10.762 -1.738 -13.154 1.00 0.00 H new ATOM 0 HA GLU B 142 -8.078 -1.677 -13.079 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -9.323 -3.138 -14.570 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -9.962 -1.781 -15.476 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -8.272 -2.989 -16.756 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -7.776 -1.336 -16.453 1.00 0.00 H new ATOM 1990 N SER B 143 -8.756 0.841 -15.078 1.00 0.00 N ATOM 1991 CA SER B 143 -8.166 2.048 -15.622 1.00 0.00 C ATOM 1992 C SER B 143 -7.968 3.131 -14.547 1.00 0.00 C ATOM 1993 O SER B 143 -6.965 3.873 -14.553 1.00 0.00 O ATOM 1994 CB SER B 143 -9.021 2.535 -16.785 1.00 0.00 C ATOM 1995 OG SER B 143 -10.400 2.565 -16.412 1.00 0.00 O ATOM 0 H SER B 143 -9.693 0.635 -15.424 1.00 0.00 H new ATOM 0 HA SER B 143 -7.166 1.821 -15.992 1.00 0.00 H new ATOM 0 HB2 SER B 143 -8.699 3.531 -17.090 1.00 0.00 H new ATOM 0 HB3 SER B 143 -8.885 1.879 -17.645 1.00 0.00 H new ATOM 0 HG SER B 143 -10.937 2.881 -17.168 1.00 0.00 H new ATOM 2001 N ILE B 144 -8.881 3.164 -13.601 1.00 0.00 N ATOM 2002 CA ILE B 144 -8.863 4.133 -12.522 1.00 0.00 C ATOM 2003 C ILE B 144 -7.664 3.881 -11.616 1.00 0.00 C ATOM 2004 O ILE B 144 -6.872 4.778 -11.362 1.00 0.00 O ATOM 2005 CB ILE B 144 -10.177 4.060 -11.691 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -11.405 4.284 -12.593 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.166 5.056 -10.531 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -11.408 5.614 -13.325 1.00 0.00 C ATOM 0 H ILE B 144 -9.665 2.513 -13.557 1.00 0.00 H new ATOM 0 HA ILE B 144 -8.784 5.129 -12.957 1.00 0.00 H new ATOM 0 HB ILE B 144 -10.241 3.060 -11.263 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -11.454 3.479 -13.326 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -12.306 4.216 -11.984 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -11.099 4.976 -9.974 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -9.328 4.835 -9.869 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -10.062 6.068 -10.922 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -12.307 5.690 -13.937 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -11.392 6.428 -12.600 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -10.527 5.680 -13.964 1.00 0.00 H new ATOM 2020 N ILE B 145 -7.498 2.639 -11.207 1.00 0.00 N ATOM 2021 CA ILE B 145 -6.434 2.279 -10.298 1.00 0.00 C ATOM 2022 C ILE B 145 -5.077 2.378 -10.975 1.00 0.00 C ATOM 2023 O ILE B 145 -4.076 2.677 -10.341 1.00 0.00 O ATOM 2024 CB ILE B 145 -6.653 0.887 -9.619 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -5.611 0.672 -8.534 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -6.615 -0.256 -10.632 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -5.888 -0.489 -7.638 1.00 0.00 C ATOM 0 H ILE B 145 -8.091 1.860 -11.493 1.00 0.00 H new ATOM 0 HA ILE B 145 -6.455 3.007 -9.487 1.00 0.00 H new ATOM 0 HB ILE B 145 -7.647 0.887 -9.171 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -4.638 0.529 -9.004 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -5.543 1.575 -7.928 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -6.771 -1.204 -10.117 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -7.401 -0.112 -11.373 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -5.645 -0.269 -11.130 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -5.096 -0.571 -6.893 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.844 -0.341 -7.136 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -5.926 -1.404 -8.229 1.00 0.00 H new ATOM 2039 N ARG B 146 -5.064 2.128 -12.256 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.877 2.263 -13.057 1.00 0.00 C ATOM 2041 C ARG B 146 -3.358 3.708 -12.939 1.00 0.00 C ATOM 2042 O ARG B 146 -2.323 3.976 -12.290 1.00 0.00 O ATOM 2043 CB ARG B 146 -4.243 1.959 -14.522 1.00 0.00 C ATOM 2044 CG ARG B 146 -3.077 1.865 -15.486 1.00 0.00 C ATOM 2045 CD ARG B 146 -2.199 0.679 -15.162 1.00 0.00 C ATOM 2046 NE ARG B 146 -2.953 -0.582 -15.149 1.00 0.00 N ATOM 2047 CZ ARG B 146 -2.429 -1.786 -14.925 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -1.124 -1.934 -14.749 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -3.214 -2.834 -14.889 1.00 0.00 N ATOM 0 H ARG B 146 -5.885 1.822 -12.779 1.00 0.00 H new ATOM 0 HA ARG B 146 -3.104 1.573 -12.719 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -4.792 1.018 -14.552 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -4.921 2.735 -14.876 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -3.451 1.777 -16.506 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -2.488 2.781 -15.440 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -1.396 0.613 -15.896 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.731 0.831 -14.189 1.00 0.00 H new ATOM 0 HE ARG B 146 -3.956 -0.531 -15.325 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -0.509 -1.121 -14.784 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -0.734 -2.861 -14.578 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -4.218 -2.724 -15.032 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -2.821 -3.760 -14.718 1.00 0.00 H new ATOM 2063 N SER B 147 -4.164 4.620 -13.445 1.00 0.00 N ATOM 2064 CA SER B 147 -3.821 6.017 -13.549 1.00 0.00 C ATOM 2065 C SER B 147 -3.690 6.721 -12.185 1.00 0.00 C ATOM 2066 O SER B 147 -2.730 7.483 -11.954 1.00 0.00 O ATOM 2067 CB SER B 147 -4.861 6.711 -14.439 1.00 0.00 C ATOM 2068 OG SER B 147 -6.194 6.400 -14.011 1.00 0.00 O ATOM 0 H SER B 147 -5.094 4.402 -13.802 1.00 0.00 H new ATOM 0 HA SER B 147 -2.831 6.088 -13.999 1.00 0.00 H new ATOM 0 HB2 SER B 147 -4.708 7.790 -14.409 1.00 0.00 H new ATOM 0 HB3 SER B 147 -4.725 6.398 -15.474 1.00 0.00 H new ATOM 0 HG SER B 147 -6.497 5.580 -14.454 1.00 0.00 H new ATOM 2074 N GLU B 148 -4.639 6.484 -11.304 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.667 7.152 -10.018 1.00 0.00 C ATOM 2076 C GLU B 148 -3.737 6.546 -8.988 1.00 0.00 C ATOM 2077 O GLU B 148 -3.169 7.276 -8.176 1.00 0.00 O ATOM 2078 CB GLU B 148 -6.090 7.204 -9.452 1.00 0.00 C ATOM 2079 CG GLU B 148 -7.036 8.100 -10.226 1.00 0.00 C ATOM 2080 CD GLU B 148 -6.574 9.530 -10.223 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -6.714 10.208 -9.196 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -6.030 9.995 -11.240 1.00 0.00 O ATOM 0 H GLU B 148 -5.406 5.829 -11.456 1.00 0.00 H new ATOM 0 HA GLU B 148 -4.307 8.161 -10.216 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.498 6.194 -9.434 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -6.045 7.549 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -7.115 7.745 -11.254 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -8.033 8.039 -9.791 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.562 5.245 -9.018 1.00 0.00 N ATOM 2090 CA LEU B 149 -2.861 4.590 -7.943 1.00 0.00 C ATOM 2091 C LEU B 149 -1.404 4.304 -8.204 1.00 0.00 C ATOM 2092 O LEU B 149 -0.617 4.342 -7.265 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.669 3.365 -7.408 1.00 0.00 C ATOM 2094 CG LEU B 149 -3.063 2.521 -6.260 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -4.163 1.949 -5.376 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -2.242 1.367 -6.811 1.00 0.00 C ATOM 0 H LEU B 149 -3.890 4.630 -9.762 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.809 5.319 -7.134 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.640 3.730 -7.073 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -3.852 2.696 -8.249 1.00 0.00 H new ATOM 0 HG LEU B 149 -2.422 3.180 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -3.717 1.359 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -4.744 2.764 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -4.817 1.314 -5.974 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -1.827 0.789 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -2.879 0.725 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -1.430 1.758 -7.424 1.00 0.00 H new ATOM 2108 N MET B 150 -0.983 4.036 -9.437 1.00 0.00 N ATOM 2109 CA MET B 150 0.426 3.699 -9.559 1.00 0.00 C ATOM 2110 C MET B 150 1.084 4.003 -10.877 1.00 0.00 C ATOM 2111 O MET B 150 0.436 4.159 -11.905 1.00 0.00 O ATOM 2112 CB MET B 150 0.734 2.278 -9.042 1.00 0.00 C ATOM 2113 CG MET B 150 -0.117 1.143 -9.617 1.00 0.00 C ATOM 2114 SD MET B 150 0.129 0.832 -11.373 1.00 0.00 S ATOM 2115 CE MET B 150 -1.036 -0.509 -11.611 1.00 0.00 C ATOM 0 H MET B 150 -1.539 4.043 -10.292 1.00 0.00 H new ATOM 0 HA MET B 150 0.911 4.410 -8.891 1.00 0.00 H new ATOM 0 HB2 MET B 150 1.781 2.059 -9.250 1.00 0.00 H new ATOM 0 HB3 MET B 150 0.618 2.276 -7.958 1.00 0.00 H new ATOM 0 HG2 MET B 150 0.102 0.228 -9.066 1.00 0.00 H new ATOM 0 HG3 MET B 150 -1.169 1.374 -9.447 1.00 0.00 H new ATOM 0 HE1 MET B 150 -0.558 -1.311 -12.173 1.00 0.00 H new ATOM 0 HE2 MET B 150 -1.358 -0.888 -10.641 1.00 0.00 H new ATOM 0 HE3 MET B 150 -1.902 -0.145 -12.164 1.00 0.00 H new ATOM 2125 N ASP B 151 2.395 4.123 -10.805 1.00 0.00 N ATOM 2126 CA ASP B 151 3.274 4.384 -11.930 1.00 0.00 C ATOM 2127 C ASP B 151 4.694 4.138 -11.505 1.00 0.00 C ATOM 2128 O ASP B 151 5.236 4.889 -10.683 1.00 0.00 O ATOM 2129 CB ASP B 151 3.147 5.822 -12.448 1.00 0.00 C ATOM 2130 CG ASP B 151 4.222 6.170 -13.464 1.00 0.00 C ATOM 2131 OD1 ASP B 151 4.179 5.671 -14.612 1.00 0.00 O ATOM 2132 OD2 ASP B 151 5.144 6.920 -13.130 1.00 0.00 O ATOM 0 H ASP B 151 2.900 4.038 -9.923 1.00 0.00 H new ATOM 0 HA ASP B 151 2.985 3.715 -12.741 1.00 0.00 H new ATOM 0 HB2 ASP B 151 2.165 5.956 -12.902 1.00 0.00 H new ATOM 0 HB3 ASP B 151 3.207 6.514 -11.608 1.00 0.00 H new ATOM 2137 N ALA B 152 5.262 3.076 -12.015 1.00 0.00 N ATOM 2138 CA ALA B 152 6.632 2.695 -11.753 1.00 0.00 C ATOM 2139 C ALA B 152 7.007 1.629 -12.756 1.00 0.00 C ATOM 2140 O ALA B 152 7.333 0.500 -12.370 1.00 0.00 O ATOM 2141 CB ALA B 152 6.788 2.169 -10.322 1.00 0.00 C ATOM 2142 OXT ALA B 152 6.859 1.882 -13.973 1.00 0.00 O ATOM 0 H ALA B 152 4.775 2.434 -12.640 1.00 0.00 H new ATOM 0 HA ALA B 152 7.289 3.559 -11.851 1.00 0.00 H new ATOM 0 HB1 ALA B 152 7.827 1.889 -10.149 1.00 0.00 H new ATOM 0 HB2 ALA B 152 6.499 2.947 -9.615 1.00 0.00 H new ATOM 0 HB3 ALA B 152 6.149 1.297 -10.183 1.00 0.00 H new TER 2148 ALA B 152