USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1087 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: B 94 SER OG : rot 180:sc= 0.274 USER MOD Set 1.2: B 98 LYS NZ :NH3+ -144:sc= 0.278 (180deg=0) USER MOD Set 2.1: B 82 SER OG : rot -106:sc= 0.789 USER MOD Set 2.2: B 93 ASN :FLIP amide:sc= 0.84 F(o=-1.9,f=-0.85) USER MOD Set 2.3: B 97 GLN : amide:sc= -2.48 X(o=-0.85,f=-1.2!) USER MOD Set 3.1: B 72 HIS : no HD1:sc= 0.475 K(o=-0.37,f=-5.5!) USER MOD Set 3.2: B 116 ASN :FLIP amide:sc= -0.845! F(o=-1.1,f=-0.37!) USER MOD Set 4.1: B 54 TYR OH : rot -39:sc= 0.314 USER MOD Set 4.2: B 61 GLN :FLIP amide:sc= 1.06 F(o=0.43,f=1.4) USER MOD Set 5.1: A 11 GLN : amide:sc= -0.879! C(o=0.34!,f=-8.1!) USER MOD Set 5.2: B 134 LYS NZ :NH3+ -134:sc= 1.22 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0586 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -156:sc= -0.294 (180deg=-1.13) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.106 F(o=-1.1,f=-0.11) USER MOD Single : A 9 ASN : amide:sc= 1.54 K(o=1.5,f=-3.9!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 68:sc= 0.012 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.18) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0724 F(o=-1.1,f=-0.072) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 120:sc= 1.3 USER MOD Single : B 41 MET CE :methyl 164:sc= -0.121 (180deg=-0.49) USER MOD Single : B 42 ASN : amide:sc= -1.57! C(o=-1.6!,f=-4.4!) USER MOD Single : B 43 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0101) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0.00204 USER MOD Single : B 46 LYS NZ :NH3+ -170:sc= 1.11 (180deg=0.927) USER MOD Single : B 47 THR OG1 : rot 111:sc= 1.21 USER MOD Single : B 48 LYS NZ :NH3+ -151:sc= -1.66! (180deg=-3.06!) USER MOD Single : B 55 GLN : amide:sc= -0.445! K(o=-0.45!,f=-1.1) USER MOD Single : B 56 ASN : amide:sc= 1.12 K(o=1.1,f=-0.18) USER MOD Single : B 57 SER OG : rot 120:sc= -0.713 USER MOD Single : B 65 LYS NZ :NH3+ -168:sc=-0.00885 (180deg=-0.154) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= -0.669 X(o=-0.67,f=-0.44) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ 164:sc= 0.475 (180deg=0.338) USER MOD Single : B 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0837) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot -42:sc= 0.596 USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 85 ASN :FLIP amide:sc=-0.00628 F(o=-2.1!,f=-0.0063) USER MOD Single : B 88 SER OG : rot -44:sc= 1.26 USER MOD Single : B 89 SER OG : rot 54:sc= 0.842 USER MOD Single : B 91 LYS NZ :NH3+ 169:sc= -0.893! (180deg=-1.22!) USER MOD Single : B 92 MET CE :methyl -159:sc= -0.16 (180deg=-0.898) USER MOD Single : B 103 ASN : amide:sc= 1.07 K(o=1.1,f=-0.11) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -1.34 K(o=-1.3,f=-2!) USER MOD Single : B 107 THR OG1 : rot -4:sc= 1.2 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.00027) USER MOD Single : B 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 60:sc= 1.27 USER MOD Single : B 124 GLN : amide:sc= 1 K(o=1,f=-0.81) USER MOD Single : B 129 LYS NZ :NH3+ -163:sc= 1.27 (180deg=1.13) USER MOD Single : B 131 ASN : amide:sc= 0.781 K(o=0.78,f=0) USER MOD Single : B 135 LYS NZ :NH3+ 162:sc= -0.0455 (180deg=-0.332) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.573 -9.319 -17.604 1.00 0.00 N ATOM 2 CA GLY A 1 19.833 -8.710 -18.731 1.00 0.00 C ATOM 3 C GLY A 1 18.918 -7.592 -18.278 1.00 0.00 C ATOM 4 O GLY A 1 19.135 -7.002 -17.217 1.00 0.00 O ATOM 0 H1 GLY A 1 21.583 -9.379 -17.844 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.454 -8.733 -16.753 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.203 -10.274 -17.421 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.543 -8.323 -19.462 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.244 -9.477 -19.234 1.00 0.00 H new ATOM 10 N PRO A 2 17.881 -7.275 -19.067 1.00 0.00 N ATOM 11 CA PRO A 2 16.943 -6.198 -18.758 1.00 0.00 C ATOM 12 C PRO A 2 15.983 -6.577 -17.636 1.00 0.00 C ATOM 13 O PRO A 2 15.179 -7.500 -17.775 1.00 0.00 O ATOM 14 CB PRO A 2 16.166 -5.985 -20.068 1.00 0.00 C ATOM 15 CG PRO A 2 16.827 -6.857 -21.088 1.00 0.00 C ATOM 16 CD PRO A 2 17.535 -7.939 -20.328 1.00 0.00 C ATOM 0 HA PRO A 2 17.463 -5.304 -18.413 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.117 -6.253 -19.947 1.00 0.00 H new ATOM 0 HB3 PRO A 2 16.194 -4.939 -20.372 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.091 -7.281 -21.772 1.00 0.00 H new ATOM 0 HG3 PRO A 2 17.530 -6.283 -21.692 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.894 -8.806 -20.166 1.00 0.00 H new ATOM 0 HD3 PRO A 2 18.421 -8.291 -20.856 1.00 0.00 H new ATOM 24 N HIS A 3 16.073 -5.863 -16.524 1.00 0.00 N ATOM 25 CA HIS A 3 15.182 -6.090 -15.396 1.00 0.00 C ATOM 26 C HIS A 3 13.845 -5.426 -15.676 1.00 0.00 C ATOM 27 O HIS A 3 13.688 -4.221 -15.487 1.00 0.00 O ATOM 28 CB HIS A 3 15.782 -5.531 -14.101 1.00 0.00 C ATOM 29 CG HIS A 3 17.165 -6.029 -13.805 1.00 0.00 C ATOM 30 ND1 HIS A 3 17.420 -7.244 -13.208 1.00 0.00 N ATOM 31 CD2 HIS A 3 18.374 -5.465 -14.031 1.00 0.00 C ATOM 32 CE1 HIS A 3 18.722 -7.403 -13.078 1.00 0.00 C ATOM 33 NE2 HIS A 3 19.324 -6.338 -13.569 1.00 0.00 N ATOM 0 H HIS A 3 16.756 -5.120 -16.378 1.00 0.00 H new ATOM 0 HA HIS A 3 15.044 -7.164 -15.268 1.00 0.00 H new ATOM 0 HB2 HIS A 3 15.804 -4.443 -14.163 1.00 0.00 H new ATOM 0 HB3 HIS A 3 15.128 -5.790 -13.268 1.00 0.00 H new ATOM 0 HD2 HIS A 3 18.557 -4.505 -14.490 1.00 0.00 H new ATOM 0 HE1 HIS A 3 19.213 -8.261 -12.643 1.00 0.00 H new ATOM 0 HE2 HIS A 3 20.332 -6.188 -13.600 1.00 0.00 H new ATOM 42 N MET A 4 12.883 -6.219 -16.121 1.00 0.00 N ATOM 43 CA MET A 4 11.609 -5.685 -16.586 1.00 0.00 C ATOM 44 C MET A 4 10.621 -5.503 -15.439 1.00 0.00 C ATOM 45 O MET A 4 9.406 -5.601 -15.622 1.00 0.00 O ATOM 46 CB MET A 4 11.014 -6.594 -17.660 1.00 0.00 C ATOM 47 CG MET A 4 10.615 -7.970 -17.155 1.00 0.00 C ATOM 48 SD MET A 4 9.734 -8.936 -18.395 1.00 0.00 S ATOM 49 CE MET A 4 8.318 -7.880 -18.700 1.00 0.00 C ATOM 0 H MET A 4 12.959 -7.235 -16.171 1.00 0.00 H new ATOM 0 HA MET A 4 11.800 -4.702 -17.016 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.138 -6.107 -18.088 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.739 -6.710 -18.465 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.508 -8.512 -16.845 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.986 -7.860 -16.271 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.494 -8.479 -19.086 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.014 -7.401 -17.769 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.584 -7.116 -19.430 1.00 0.00 H new ATOM 59 N PHE A 5 11.148 -5.227 -14.265 1.00 0.00 N ATOM 60 CA PHE A 5 10.326 -4.970 -13.103 1.00 0.00 C ATOM 61 C PHE A 5 10.898 -3.796 -12.327 1.00 0.00 C ATOM 62 O PHE A 5 12.117 -3.612 -12.265 1.00 0.00 O ATOM 63 CB PHE A 5 10.220 -6.214 -12.217 1.00 0.00 C ATOM 64 CG PHE A 5 11.513 -6.658 -11.588 1.00 0.00 C ATOM 65 CD1 PHE A 5 12.424 -7.421 -12.300 1.00 0.00 C ATOM 66 CD2 PHE A 5 11.809 -6.320 -10.277 1.00 0.00 C ATOM 67 CE1 PHE A 5 13.606 -7.835 -11.717 1.00 0.00 C ATOM 68 CE2 PHE A 5 12.990 -6.732 -9.690 1.00 0.00 C ATOM 69 CZ PHE A 5 13.888 -7.490 -10.410 1.00 0.00 C ATOM 0 H PHE A 5 12.152 -5.175 -14.090 1.00 0.00 H new ATOM 0 HA PHE A 5 9.318 -4.720 -13.433 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.497 -6.017 -11.425 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.823 -7.035 -12.815 1.00 0.00 H new ATOM 0 HD1 PHE A 5 12.208 -7.695 -13.322 1.00 0.00 H new ATOM 0 HD2 PHE A 5 11.108 -5.728 -9.707 1.00 0.00 H new ATOM 0 HE1 PHE A 5 14.309 -8.428 -12.283 1.00 0.00 H new ATOM 0 HE2 PHE A 5 13.209 -6.460 -8.668 1.00 0.00 H new ATOM 0 HZ PHE A 5 14.811 -7.814 -9.953 1.00 0.00 H new ATOM 79 N ALA A 6 10.020 -3.002 -11.748 1.00 0.00 N ATOM 80 CA ALA A 6 10.431 -1.790 -11.067 1.00 0.00 C ATOM 81 C ALA A 6 10.563 -2.020 -9.573 1.00 0.00 C ATOM 82 O ALA A 6 9.723 -2.675 -8.954 1.00 0.00 O ATOM 83 CB ALA A 6 9.451 -0.675 -11.344 1.00 0.00 C ATOM 0 H ALA A 6 9.015 -3.175 -11.735 1.00 0.00 H new ATOM 0 HA ALA A 6 11.410 -1.502 -11.451 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.772 0.229 -10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.411 -0.484 -12.416 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.462 -0.964 -10.990 1.00 0.00 H new ATOM 89 N ASN A 7 11.606 -1.451 -8.994 1.00 0.00 N ATOM 90 CA ASN A 7 11.934 -1.706 -7.597 1.00 0.00 C ATOM 91 C ASN A 7 11.274 -0.674 -6.702 1.00 0.00 C ATOM 92 O ASN A 7 11.406 -0.716 -5.479 1.00 0.00 O ATOM 93 CB ASN A 7 13.449 -1.705 -7.389 1.00 0.00 C ATOM 94 CG ASN A 7 14.179 -2.495 -8.457 1.00 0.00 C ATOM 95 OD1 ASN A 7 13.509 -3.481 -9.029 1.00 0.00 O flip ATOM 96 ND2 ASN A 7 15.332 -2.209 -8.780 1.00 0.00 N flip ATOM 0 H ASN A 7 12.242 -0.809 -9.467 1.00 0.00 H new ATOM 0 HA ASN A 7 11.553 -2.692 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 7 13.812 -0.677 -7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.679 -2.125 -6.410 1.00 0.00 H new ATOM 0 HD21 ASN A 7 15.816 -1.441 -8.315 1.00 0.00 H new ATOM 0 HD22 ASN A 7 15.803 -2.740 -9.512 1.00 0.00 H new ATOM 103 N GLU A 8 10.562 0.255 -7.327 1.00 0.00 N ATOM 104 CA GLU A 8 9.736 1.205 -6.599 1.00 0.00 C ATOM 105 C GLU A 8 8.765 0.453 -5.704 1.00 0.00 C ATOM 106 O GLU A 8 8.576 0.798 -4.539 1.00 0.00 O ATOM 107 CB GLU A 8 8.961 2.091 -7.577 1.00 0.00 C ATOM 108 CG GLU A 8 8.194 1.291 -8.620 1.00 0.00 C ATOM 109 CD GLU A 8 7.443 2.155 -9.602 1.00 0.00 C ATOM 110 OE1 GLU A 8 8.052 2.590 -10.600 1.00 0.00 O ATOM 111 OE2 GLU A 8 6.235 2.382 -9.393 1.00 0.00 O1- ATOM 0 H GLU A 8 10.541 0.370 -8.340 1.00 0.00 H new ATOM 0 HA GLU A 8 10.378 1.838 -5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.263 2.715 -7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.656 2.763 -8.081 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.892 0.656 -9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.489 0.630 -8.115 1.00 0.00 H new ATOM 118 N ASN A 9 8.186 -0.607 -6.261 1.00 0.00 N ATOM 119 CA ASN A 9 7.216 -1.423 -5.551 1.00 0.00 C ATOM 120 C ASN A 9 7.826 -1.986 -4.281 1.00 0.00 C ATOM 121 O ASN A 9 7.174 -2.023 -3.249 1.00 0.00 O ATOM 122 CB ASN A 9 6.714 -2.568 -6.434 1.00 0.00 C ATOM 123 CG ASN A 9 6.110 -2.084 -7.737 1.00 0.00 C ATOM 124 OD1 ASN A 9 4.928 -1.749 -7.805 1.00 0.00 O ATOM 125 ND2 ASN A 9 6.917 -2.055 -8.787 1.00 0.00 N ATOM 0 H ASN A 9 8.377 -0.920 -7.213 1.00 0.00 H new ATOM 0 HA ASN A 9 6.370 -0.787 -5.290 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.542 -3.243 -6.651 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.969 -3.144 -5.885 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.564 -1.747 -9.693 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.891 -2.341 -8.689 1.00 0.00 H new ATOM 132 N SER A 10 9.090 -2.390 -4.363 1.00 0.00 N ATOM 133 CA SER A 10 9.800 -2.943 -3.218 1.00 0.00 C ATOM 134 C SER A 10 9.740 -1.985 -2.027 1.00 0.00 C ATOM 135 O SER A 10 9.504 -2.403 -0.892 1.00 0.00 O ATOM 136 CB SER A 10 11.253 -3.225 -3.599 1.00 0.00 C ATOM 137 OG SER A 10 11.323 -4.004 -4.786 1.00 0.00 O ATOM 0 H SER A 10 9.645 -2.344 -5.217 1.00 0.00 H new ATOM 0 HA SER A 10 9.318 -3.876 -2.926 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.784 -2.284 -3.744 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.752 -3.750 -2.784 1.00 0.00 H new ATOM 0 HG SER A 10 12.262 -4.171 -5.013 1.00 0.00 H new ATOM 143 N GLN A 11 9.927 -0.699 -2.302 1.00 0.00 N ATOM 144 CA GLN A 11 9.878 0.323 -1.266 1.00 0.00 C ATOM 145 C GLN A 11 8.436 0.584 -0.845 1.00 0.00 C ATOM 146 O GLN A 11 8.145 0.765 0.336 1.00 0.00 O ATOM 147 CB GLN A 11 10.517 1.611 -1.768 1.00 0.00 C ATOM 148 CG GLN A 11 11.880 1.395 -2.401 1.00 0.00 C ATOM 149 CD GLN A 11 12.684 2.670 -2.503 1.00 0.00 C ATOM 150 OE1 GLN A 11 13.477 2.846 -3.424 1.00 0.00 O ATOM 151 NE2 GLN A 11 12.498 3.558 -1.543 1.00 0.00 N ATOM 0 H GLN A 11 10.115 -0.340 -3.238 1.00 0.00 H new ATOM 0 HA GLN A 11 10.436 -0.034 -0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.855 2.077 -2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.616 2.308 -0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.437 0.665 -1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.751 0.971 -3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.828 3.370 -0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.024 4.432 -1.548 1.00 0.00 H new ATOM 160 N LEU A 12 7.543 0.596 -1.830 1.00 0.00 N ATOM 161 CA LEU A 12 6.112 0.772 -1.589 1.00 0.00 C ATOM 162 C LEU A 12 5.586 -0.286 -0.624 1.00 0.00 C ATOM 163 O LEU A 12 4.807 0.018 0.275 1.00 0.00 O ATOM 164 CB LEU A 12 5.339 0.692 -2.908 1.00 0.00 C ATOM 165 CG LEU A 12 5.123 2.018 -3.651 1.00 0.00 C ATOM 166 CD1 LEU A 12 6.423 2.783 -3.831 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.487 1.751 -5.000 1.00 0.00 C ATOM 0 H LEU A 12 7.788 0.485 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 12 5.965 1.755 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.867 0.009 -3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.363 0.250 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 12 4.459 2.636 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.226 3.715 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.853 3.005 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.124 2.179 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.335 2.695 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.141 1.109 -5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.526 1.257 -4.858 1.00 0.00 H new ATOM 179 N LEU A 13 6.034 -1.523 -0.815 1.00 0.00 N ATOM 180 CA LEU A 13 5.587 -2.650 -0.003 1.00 0.00 C ATOM 181 C LEU A 13 5.860 -2.408 1.474 1.00 0.00 C ATOM 182 O LEU A 13 4.954 -2.499 2.302 1.00 0.00 O ATOM 183 CB LEU A 13 6.283 -3.937 -0.442 1.00 0.00 C ATOM 184 CG LEU A 13 6.148 -4.279 -1.923 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.826 -5.601 -2.227 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.686 -4.304 -2.343 1.00 0.00 C ATOM 0 H LEU A 13 6.714 -1.772 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 13 4.511 -2.752 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.343 -3.858 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.883 -4.765 0.143 1.00 0.00 H new ATOM 0 HG LEU A 13 6.646 -3.501 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.720 -5.829 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.884 -5.534 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.362 -6.392 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.616 -4.550 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.153 -5.055 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.240 -3.325 -2.168 1.00 0.00 H new ATOM 198 N ASP A 14 7.111 -2.097 1.798 1.00 0.00 N ATOM 199 CA ASP A 14 7.494 -1.846 3.183 1.00 0.00 C ATOM 200 C ASP A 14 6.808 -0.601 3.716 1.00 0.00 C ATOM 201 O ASP A 14 6.443 -0.544 4.887 1.00 0.00 O ATOM 202 CB ASP A 14 9.012 -1.715 3.329 1.00 0.00 C ATOM 203 CG ASP A 14 9.694 -3.059 3.490 1.00 0.00 C ATOM 204 OD1 ASP A 14 9.521 -3.692 4.558 1.00 0.00 O ATOM 205 OD2 ASP A 14 10.413 -3.485 2.561 1.00 0.00 O1- ATOM 0 H ASP A 14 7.873 -2.013 1.125 1.00 0.00 H new ATOM 0 HA ASP A 14 7.170 -2.704 3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.416 -1.208 2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.239 -1.090 4.192 1.00 0.00 H new ATOM 210 N PHE A 15 6.627 0.384 2.846 1.00 0.00 N ATOM 211 CA PHE A 15 5.930 1.612 3.202 1.00 0.00 C ATOM 212 C PHE A 15 4.507 1.300 3.652 1.00 0.00 C ATOM 213 O PHE A 15 4.119 1.612 4.775 1.00 0.00 O ATOM 214 CB PHE A 15 5.914 2.556 1.999 1.00 0.00 C ATOM 215 CG PHE A 15 5.361 3.926 2.278 1.00 0.00 C ATOM 216 CD1 PHE A 15 4.005 4.184 2.150 1.00 0.00 C ATOM 217 CD2 PHE A 15 6.206 4.961 2.639 1.00 0.00 C ATOM 218 CE1 PHE A 15 3.504 5.451 2.381 1.00 0.00 C ATOM 219 CE2 PHE A 15 5.712 6.229 2.865 1.00 0.00 C ATOM 220 CZ PHE A 15 4.359 6.474 2.736 1.00 0.00 C ATOM 0 H PHE A 15 6.956 0.355 1.881 1.00 0.00 H new ATOM 0 HA PHE A 15 6.452 2.095 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.932 2.660 1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.326 2.098 1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.333 3.387 1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.264 4.774 2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.445 5.640 2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.382 7.029 3.142 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.970 7.466 2.913 1.00 0.00 H new ATOM 230 N ILE A 16 3.746 0.657 2.772 1.00 0.00 N ATOM 231 CA ILE A 16 2.368 0.283 3.064 1.00 0.00 C ATOM 232 C ILE A 16 2.308 -0.625 4.294 1.00 0.00 C ATOM 233 O ILE A 16 1.390 -0.534 5.112 1.00 0.00 O ATOM 234 CB ILE A 16 1.731 -0.436 1.855 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.783 0.464 0.617 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.295 -0.833 2.158 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.397 -0.241 -0.666 1.00 0.00 C ATOM 0 H ILE A 16 4.065 0.382 1.843 1.00 0.00 H new ATOM 0 HA ILE A 16 1.807 1.195 3.268 1.00 0.00 H new ATOM 0 HB ILE A 16 2.301 -1.343 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.117 1.314 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.791 0.864 0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.133 -1.338 1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.277 -1.505 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.289 0.059 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.458 0.460 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.078 -1.074 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.377 -0.617 -0.582 1.00 0.00 H new ATOM 249 N ARG A 17 3.306 -1.486 4.419 1.00 0.00 N ATOM 250 CA ARG A 17 3.420 -2.384 5.559 1.00 0.00 C ATOM 251 C ARG A 17 3.547 -1.599 6.865 1.00 0.00 C ATOM 252 O ARG A 17 2.912 -1.935 7.868 1.00 0.00 O ATOM 253 CB ARG A 17 4.626 -3.305 5.360 1.00 0.00 C ATOM 254 CG ARG A 17 4.902 -4.241 6.522 1.00 0.00 C ATOM 255 CD ARG A 17 6.066 -5.160 6.207 1.00 0.00 C ATOM 256 NE ARG A 17 6.506 -5.924 7.371 1.00 0.00 N ATOM 257 CZ ARG A 17 7.778 -6.035 7.758 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.730 -5.344 7.139 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 8.094 -6.817 8.784 1.00 0.00 N ATOM 0 H ARG A 17 4.057 -1.582 3.736 1.00 0.00 H new ATOM 0 HA ARG A 17 2.515 -2.987 5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.468 -3.900 4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.510 -2.692 5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.123 -3.661 7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.013 -4.833 6.737 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.777 -5.848 5.413 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.900 -4.569 5.828 1.00 0.00 H new ATOM 0 HE ARG A 17 5.795 -6.404 7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.489 -4.725 6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.701 -5.432 7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.364 -7.333 9.276 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.066 -6.902 9.080 1.00 0.00 H new ATOM 273 N GLU A 18 4.354 -0.545 6.836 1.00 0.00 N ATOM 274 CA GLU A 18 4.555 0.306 8.001 1.00 0.00 C ATOM 275 C GLU A 18 3.255 0.970 8.429 1.00 0.00 C ATOM 276 O GLU A 18 2.996 1.124 9.624 1.00 0.00 O ATOM 277 CB GLU A 18 5.624 1.356 7.713 1.00 0.00 C ATOM 278 CG GLU A 18 7.013 0.760 7.602 1.00 0.00 C ATOM 279 CD GLU A 18 8.096 1.807 7.435 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.932 2.927 7.963 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 9.122 1.512 6.789 1.00 0.00 O ATOM 0 H GLU A 18 4.883 -0.259 6.012 1.00 0.00 H new ATOM 0 HA GLU A 18 4.895 -0.323 8.824 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.379 1.873 6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.616 2.104 8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.221 0.169 8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.042 0.077 6.753 1.00 0.00 H new ATOM 288 N LEU A 19 2.435 1.348 7.454 1.00 0.00 N ATOM 289 CA LEU A 19 1.122 1.910 7.742 1.00 0.00 C ATOM 290 C LEU A 19 0.322 0.963 8.623 1.00 0.00 C ATOM 291 O LEU A 19 -0.203 1.354 9.661 1.00 0.00 O ATOM 292 CB LEU A 19 0.328 2.154 6.456 1.00 0.00 C ATOM 293 CG LEU A 19 0.561 3.479 5.731 1.00 0.00 C ATOM 294 CD1 LEU A 19 2.017 3.661 5.349 1.00 0.00 C ATOM 295 CD2 LEU A 19 -0.313 3.531 4.494 1.00 0.00 C ATOM 0 H LEU A 19 2.656 1.275 6.461 1.00 0.00 H new ATOM 0 HA LEU A 19 1.282 2.859 8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.553 1.345 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.733 2.082 6.695 1.00 0.00 H new ATOM 0 HG LEU A 19 0.297 4.292 6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.142 4.614 4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.633 3.649 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.324 2.850 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.150 4.475 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.058 2.703 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.361 3.453 4.785 1.00 0.00 H new ATOM 307 N GLY A 20 0.242 -0.289 8.202 1.00 0.00 N ATOM 308 CA GLY A 20 -0.547 -1.266 8.922 1.00 0.00 C ATOM 309 C GLY A 20 0.012 -1.593 10.295 1.00 0.00 C ATOM 310 O GLY A 20 -0.737 -1.999 11.184 1.00 0.00 O ATOM 0 H GLY A 20 0.712 -0.648 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.565 -0.892 9.031 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.605 -2.181 8.333 1.00 0.00 H new ATOM 314 N ASP A 21 1.319 -1.413 10.479 1.00 0.00 N ATOM 315 CA ASP A 21 1.944 -1.708 11.766 1.00 0.00 C ATOM 316 C ASP A 21 1.526 -0.693 12.825 1.00 0.00 C ATOM 317 O ASP A 21 1.331 -1.040 13.989 1.00 0.00 O ATOM 318 CB ASP A 21 3.468 -1.727 11.643 1.00 0.00 C ATOM 319 CG ASP A 21 4.147 -2.026 12.967 1.00 0.00 C ATOM 320 OD1 ASP A 21 4.229 -3.214 13.346 1.00 0.00 O1- ATOM 321 OD2 ASP A 21 4.600 -1.078 13.640 1.00 0.00 O ATOM 0 H ASP A 21 1.958 -1.069 9.763 1.00 0.00 H new ATOM 0 HA ASP A 21 1.603 -2.696 12.075 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.762 -2.477 10.908 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.813 -0.763 11.270 1.00 0.00 H new ATOM 326 N VAL A 22 1.380 0.560 12.417 1.00 0.00 N ATOM 327 CA VAL A 22 0.996 1.618 13.343 1.00 0.00 C ATOM 328 C VAL A 22 -0.507 1.849 13.303 1.00 0.00 C ATOM 329 O VAL A 22 -1.086 2.435 14.218 1.00 0.00 O ATOM 330 CB VAL A 22 1.732 2.939 13.043 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.210 2.809 13.364 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.539 3.348 11.592 1.00 0.00 C ATOM 0 H VAL A 22 1.521 0.869 11.455 1.00 0.00 H new ATOM 0 HA VAL A 22 1.284 1.288 14.341 1.00 0.00 H new ATOM 0 HB VAL A 22 1.306 3.717 13.677 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.714 3.751 13.146 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.333 2.567 14.420 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.646 2.016 12.757 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.067 4.283 11.404 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.935 2.570 10.939 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.477 3.485 11.391 1.00 0.00 H new ATOM 342 N GLY A 23 -1.134 1.387 12.236 1.00 0.00 N ATOM 343 CA GLY A 23 -2.571 1.469 12.132 1.00 0.00 C ATOM 344 C GLY A 23 -3.042 2.616 11.261 1.00 0.00 C ATOM 345 O GLY A 23 -4.104 3.186 11.495 1.00 0.00 O ATOM 0 H GLY A 23 -0.670 0.955 11.437 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.953 0.532 11.726 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.995 1.581 13.130 1.00 0.00 H new ATOM 349 N LEU A 24 -2.255 2.953 10.251 1.00 0.00 N ATOM 350 CA LEU A 24 -2.639 3.985 9.296 1.00 0.00 C ATOM 351 C LEU A 24 -3.435 3.370 8.156 1.00 0.00 C ATOM 352 O LEU A 24 -4.052 4.073 7.359 1.00 0.00 O ATOM 353 CB LEU A 24 -1.401 4.700 8.750 1.00 0.00 C ATOM 354 CG LEU A 24 -0.639 5.550 9.767 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.664 6.056 9.170 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.494 6.716 10.233 1.00 0.00 C ATOM 0 H LEU A 24 -1.346 2.528 10.070 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.262 4.718 9.809 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.720 3.953 8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.706 5.340 7.922 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.405 4.925 10.629 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.193 6.659 9.908 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.286 5.208 8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.450 6.664 8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.936 7.310 10.956 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.757 7.339 9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.403 6.337 10.699 1.00 0.00 H new ATOM 368 N LEU A 25 -3.421 2.047 8.098 1.00 0.00 N ATOM 369 CA LEU A 25 -4.150 1.314 7.074 1.00 0.00 C ATOM 370 C LEU A 25 -5.468 0.803 7.614 1.00 0.00 C ATOM 371 O LEU A 25 -6.306 0.309 6.865 1.00 0.00 O ATOM 372 CB LEU A 25 -3.329 0.136 6.586 1.00 0.00 C ATOM 373 CG LEU A 25 -2.567 0.350 5.291 1.00 0.00 C ATOM 374 CD1 LEU A 25 -1.815 -0.912 4.952 1.00 0.00 C ATOM 375 CD2 LEU A 25 -3.501 0.753 4.163 1.00 0.00 C ATOM 0 H LEU A 25 -2.909 1.456 8.753 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.342 1.998 6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.615 -0.132 7.365 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.995 -0.717 6.456 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.858 1.167 5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.264 -0.769 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.117 -1.146 5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.520 -1.735 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.926 0.899 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.240 -0.032 4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.008 1.682 4.425 1.00 0.00 H new ATOM 387 N GLU A 26 -5.621 0.900 8.923 1.00 0.00 N ATOM 388 CA GLU A 26 -6.847 0.487 9.588 1.00 0.00 C ATOM 389 C GLU A 26 -8.058 1.142 8.946 1.00 0.00 C ATOM 390 O GLU A 26 -8.157 2.370 8.877 1.00 0.00 O ATOM 391 CB GLU A 26 -6.786 0.826 11.072 1.00 0.00 C ATOM 392 CG GLU A 26 -5.859 -0.083 11.854 1.00 0.00 C ATOM 393 CD GLU A 26 -5.926 0.164 13.345 1.00 0.00 C ATOM 394 OE1 GLU A 26 -5.181 1.028 13.846 1.00 0.00 O ATOM 395 OE2 GLU A 26 -6.730 -0.510 14.023 1.00 0.00 O1- ATOM 0 H GLU A 26 -4.905 1.264 9.552 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.946 -0.593 9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.456 1.858 11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.789 0.762 11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.117 -1.122 11.649 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.835 0.065 11.510 1.00 0.00 H new ATOM 402 N TYR A 27 -8.968 0.315 8.468 1.00 0.00 N ATOM 403 CA TYR A 27 -10.126 0.801 7.744 1.00 0.00 C ATOM 404 C TYR A 27 -11.410 0.182 8.279 1.00 0.00 C ATOM 405 O TYR A 27 -11.379 -0.752 9.083 1.00 0.00 O ATOM 406 CB TYR A 27 -9.979 0.516 6.241 1.00 0.00 C ATOM 407 CG TYR A 27 -9.863 -0.949 5.888 1.00 0.00 C ATOM 408 CD1 TYR A 27 -10.993 -1.720 5.656 1.00 0.00 C ATOM 409 CD2 TYR A 27 -8.620 -1.556 5.779 1.00 0.00 C ATOM 410 CE1 TYR A 27 -10.888 -3.055 5.327 1.00 0.00 C ATOM 411 CE2 TYR A 27 -8.505 -2.889 5.451 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.640 -3.637 5.225 1.00 0.00 C ATOM 413 OH TYR A 27 -9.527 -4.970 4.898 1.00 0.00 O ATOM 0 H TYR A 27 -8.927 -0.699 8.569 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.185 1.879 7.892 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.839 0.935 5.719 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.096 1.037 5.870 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.970 -1.267 5.734 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.728 -0.974 5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.777 -3.642 5.150 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.530 -3.346 5.371 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.811 -5.104 3.970 1.00 0.00 H new ATOM 423 N GLU A 28 -12.529 0.703 7.808 1.00 0.00 N ATOM 424 CA GLU A 28 -13.842 0.246 8.227 1.00 0.00 C ATOM 425 C GLU A 28 -14.819 0.448 7.077 1.00 0.00 C ATOM 426 O GLU A 28 -15.041 1.575 6.635 1.00 0.00 O ATOM 427 CB GLU A 28 -14.301 1.021 9.465 1.00 0.00 C ATOM 428 CG GLU A 28 -15.559 0.461 10.108 1.00 0.00 C ATOM 429 CD GLU A 28 -15.371 -0.953 10.619 1.00 0.00 C ATOM 430 OE1 GLU A 28 -14.652 -1.136 11.621 1.00 0.00 O ATOM 431 OE2 GLU A 28 -15.956 -1.885 10.030 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.553 1.457 7.122 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.801 -0.811 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.497 1.021 10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.478 2.060 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.858 1.106 10.935 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.372 0.476 9.382 1.00 0.00 H new ATOM 438 N LEU A 29 -15.376 -0.638 6.574 1.00 0.00 N ATOM 439 CA LEU A 29 -16.224 -0.574 5.397 1.00 0.00 C ATOM 440 C LEU A 29 -17.697 -0.578 5.772 1.00 0.00 C ATOM 441 O LEU A 29 -18.142 -1.378 6.596 1.00 0.00 O ATOM 442 CB LEU A 29 -15.929 -1.752 4.471 1.00 0.00 C ATOM 443 CG LEU A 29 -14.467 -1.907 4.061 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.289 -3.168 3.240 1.00 0.00 C ATOM 445 CD2 LEU A 29 -13.992 -0.690 3.281 1.00 0.00 C ATOM 0 H LEU A 29 -15.257 -1.574 6.961 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.005 0.361 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.251 -2.670 4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.533 -1.645 3.570 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.861 -1.986 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.243 -3.270 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.588 -4.033 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.908 -3.109 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.947 -0.823 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.598 -0.574 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.090 0.201 3.902 1.00 0.00 H new ATOM 457 N SER A 30 -18.442 0.324 5.161 1.00 0.00 N ATOM 458 CA SER A 30 -19.883 0.372 5.325 1.00 0.00 C ATOM 459 C SER A 30 -20.543 -0.432 4.211 1.00 0.00 C ATOM 460 O SER A 30 -19.856 -0.860 3.286 1.00 0.00 O ATOM 461 CB SER A 30 -20.360 1.824 5.304 1.00 0.00 C ATOM 462 OG SER A 30 -19.614 2.611 6.221 1.00 0.00 O ATOM 0 H SER A 30 -18.068 1.041 4.540 1.00 0.00 H new ATOM 0 HA SER A 30 -20.160 -0.064 6.285 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.256 2.232 4.299 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.419 1.868 5.557 1.00 0.00 H new ATOM 0 HG SER A 30 -19.933 3.537 6.192 1.00 0.00 H new ATOM 468 N GLN A 31 -21.851 -0.644 4.288 1.00 0.00 N ATOM 469 CA GLN A 31 -22.555 -1.448 3.288 1.00 0.00 C ATOM 470 C GLN A 31 -22.307 -0.925 1.876 1.00 0.00 C ATOM 471 O GLN A 31 -22.086 -1.700 0.945 1.00 0.00 O ATOM 472 CB GLN A 31 -24.056 -1.483 3.582 1.00 0.00 C ATOM 473 CG GLN A 31 -24.418 -2.307 4.808 1.00 0.00 C ATOM 474 CD GLN A 31 -24.025 -3.766 4.670 1.00 0.00 C ATOM 475 OE1 GLN A 31 -24.797 -4.584 4.172 1.00 0.00 O ATOM 476 NE2 GLN A 31 -22.825 -4.103 5.119 1.00 0.00 N ATOM 0 H GLN A 31 -22.447 -0.273 5.028 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.161 -2.463 3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.414 -0.463 3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.578 -1.888 2.715 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.926 -1.884 5.684 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.492 -2.239 4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.215 -3.394 5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.511 -5.072 5.058 1.00 0.00 H new ATOM 485 N GLN A 32 -22.307 0.391 1.730 1.00 0.00 N ATOM 486 CA GLN A 32 -22.070 1.012 0.433 1.00 0.00 C ATOM 487 C GLN A 32 -20.615 0.832 0.016 1.00 0.00 C ATOM 488 O GLN A 32 -20.314 0.570 -1.149 1.00 0.00 O ATOM 489 CB GLN A 32 -22.436 2.496 0.489 1.00 0.00 C ATOM 490 CG GLN A 32 -22.238 3.242 -0.825 1.00 0.00 C ATOM 491 CD GLN A 32 -23.048 2.667 -1.976 1.00 0.00 C ATOM 492 OE1 GLN A 32 -24.196 2.085 -1.674 1.00 0.00 O flip ATOM 493 NE2 GLN A 32 -22.643 2.753 -3.136 1.00 0.00 N flip ATOM 0 H GLN A 32 -22.468 1.050 2.492 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.700 0.526 -0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.479 2.590 0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -21.835 2.977 1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -22.512 4.288 -0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.181 3.222 -1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -21.752 3.209 -3.333 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -23.199 2.368 -3.900 1.00 0.00 H new ATOM 502 N GLU A 33 -19.718 0.938 0.988 1.00 0.00 N ATOM 503 CA GLU A 33 -18.291 0.798 0.734 1.00 0.00 C ATOM 504 C GLU A 33 -17.943 -0.652 0.418 1.00 0.00 C ATOM 505 O GLU A 33 -16.960 -0.934 -0.256 1.00 0.00 O ATOM 506 CB GLU A 33 -17.486 1.281 1.940 1.00 0.00 C ATOM 507 CG GLU A 33 -17.799 2.713 2.342 1.00 0.00 C ATOM 508 CD GLU A 33 -17.565 3.701 1.217 1.00 0.00 C ATOM 509 OE1 GLU A 33 -16.423 4.186 1.076 1.00 0.00 O ATOM 510 OE2 GLU A 33 -18.520 4.002 0.477 1.00 0.00 O1- ATOM 0 H GLU A 33 -19.955 1.121 1.963 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.034 1.413 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.683 0.623 2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.423 1.199 1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.838 2.776 2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.182 2.989 3.197 1.00 0.00 H new ATOM 517 N LYS A 34 -18.765 -1.569 0.902 1.00 0.00 N ATOM 518 CA LYS A 34 -18.560 -2.984 0.643 1.00 0.00 C ATOM 519 C LYS A 34 -19.116 -3.348 -0.725 1.00 0.00 C ATOM 520 O LYS A 34 -18.579 -4.208 -1.421 1.00 0.00 O ATOM 521 CB LYS A 34 -19.221 -3.831 1.732 1.00 0.00 C ATOM 522 CG LYS A 34 -18.492 -3.775 3.064 1.00 0.00 C ATOM 523 CD LYS A 34 -19.193 -4.609 4.122 1.00 0.00 C ATOM 524 CE LYS A 34 -18.437 -4.580 5.440 1.00 0.00 C ATOM 525 NZ LYS A 34 -19.168 -5.294 6.521 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.581 -1.358 1.477 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.490 -3.190 0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.247 -3.492 1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -19.271 -4.867 1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.471 -4.133 2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.427 -2.740 3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -20.205 -4.233 4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.284 -5.638 3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.456 -5.035 5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.270 -3.545 5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.616 -5.249 7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -20.094 -4.844 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.305 -6.288 6.249 1.00 0.00 H new ATOM 539 N ASP A 35 -20.171 -2.653 -1.116 1.00 0.00 N ATOM 540 CA ASP A 35 -20.846 -2.911 -2.381 1.00 0.00 C ATOM 541 C ASP A 35 -19.960 -2.541 -3.561 1.00 0.00 C ATOM 542 O ASP A 35 -19.996 -3.189 -4.606 1.00 0.00 O ATOM 543 CB ASP A 35 -22.149 -2.120 -2.444 1.00 0.00 C ATOM 544 CG ASP A 35 -22.959 -2.433 -3.683 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.536 -3.537 -3.761 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -23.033 -1.573 -4.585 1.00 0.00 O ATOM 0 H ASP A 35 -20.584 -1.897 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.064 -3.977 -2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.746 -2.339 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.924 -1.054 -2.421 1.00 0.00 H new ATOM 551 N VAL A 36 -19.151 -1.507 -3.389 1.00 0.00 N ATOM 552 CA VAL A 36 -18.289 -1.042 -4.463 1.00 0.00 C ATOM 553 C VAL A 36 -17.047 -1.921 -4.595 1.00 0.00 C ATOM 554 O VAL A 36 -16.409 -1.955 -5.646 1.00 0.00 O ATOM 555 CB VAL A 36 -17.867 0.429 -4.258 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.093 1.324 -4.188 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.016 0.585 -3.007 1.00 0.00 C ATOM 0 H VAL A 36 -19.074 -0.977 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 36 -18.868 -1.109 -5.384 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.262 0.732 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.781 2.358 -4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.657 1.242 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.722 1.015 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.733 1.631 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.586 0.262 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.118 -0.025 -3.100 1.00 0.00 H new ATOM 567 N LEU A 37 -16.709 -2.631 -3.524 1.00 0.00 N ATOM 568 CA LEU A 37 -15.534 -3.497 -3.523 1.00 0.00 C ATOM 569 C LEU A 37 -15.912 -4.926 -3.873 1.00 0.00 C ATOM 570 O LEU A 37 -15.383 -5.512 -4.815 1.00 0.00 O ATOM 571 CB LEU A 37 -14.864 -3.475 -2.150 1.00 0.00 C ATOM 572 CG LEU A 37 -14.554 -2.084 -1.610 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.899 -2.173 -0.244 1.00 0.00 C ATOM 574 CD2 LEU A 37 -13.666 -1.325 -2.578 1.00 0.00 C ATOM 0 H LEU A 37 -17.230 -2.625 -2.647 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.840 -3.122 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.510 -3.990 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.935 -4.043 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.493 -1.540 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.686 -1.169 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.571 -2.678 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.969 -2.736 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.454 -0.334 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.731 -1.868 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.174 -1.227 -3.538 1.00 0.00 H new ATOM 586 N PHE A 38 -16.852 -5.471 -3.120 1.00 0.00 N ATOM 587 CA PHE A 38 -17.249 -6.863 -3.273 1.00 0.00 C ATOM 588 C PHE A 38 -18.197 -7.025 -4.447 1.00 0.00 C ATOM 589 O PHE A 38 -18.373 -8.122 -4.975 1.00 0.00 O ATOM 590 CB PHE A 38 -17.898 -7.368 -1.989 1.00 0.00 C ATOM 591 CG PHE A 38 -16.949 -7.401 -0.827 1.00 0.00 C ATOM 592 CD1 PHE A 38 -16.142 -8.502 -0.609 1.00 0.00 C ATOM 593 CD2 PHE A 38 -16.858 -6.326 0.042 1.00 0.00 C ATOM 594 CE1 PHE A 38 -15.261 -8.534 0.455 1.00 0.00 C ATOM 595 CE2 PHE A 38 -15.979 -6.350 1.107 1.00 0.00 C ATOM 596 CZ PHE A 38 -15.180 -7.456 1.314 1.00 0.00 C ATOM 0 H PHE A 38 -17.358 -4.968 -2.391 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.357 -7.457 -3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -18.746 -6.729 -1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -18.293 -8.370 -2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.201 -9.347 -1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.482 -5.459 -0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -14.637 -9.401 0.614 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.917 -5.505 1.777 1.00 0.00 H new ATOM 0 HZ PHE A 38 -14.492 -7.478 2.147 1.00 0.00 H new ATOM 606 N GLY A 39 -18.799 -5.921 -4.850 1.00 0.00 N ATOM 607 CA GLY A 39 -19.672 -5.930 -6.004 1.00 0.00 C ATOM 608 C GLY A 39 -18.899 -5.809 -7.304 1.00 0.00 C ATOM 609 O GLY A 39 -19.481 -5.833 -8.388 1.00 0.00 O ATOM 0 H GLY A 39 -18.699 -5.013 -4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -20.252 -6.853 -6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.383 -5.107 -5.927 1.00 0.00 H new ATOM 613 N SER A 40 -17.584 -5.680 -7.194 1.00 0.00 N ATOM 614 CA SER A 40 -16.730 -5.547 -8.362 1.00 0.00 C ATOM 615 C SER A 40 -15.871 -6.797 -8.537 1.00 0.00 C ATOM 616 O SER A 40 -14.822 -6.904 -7.864 1.00 0.00 O ATOM 617 CB SER A 40 -15.849 -4.303 -8.236 1.00 0.00 C ATOM 618 OG SER A 40 -16.640 -3.135 -8.067 1.00 0.00 O ATOM 619 OXT SER A 40 -16.256 -7.676 -9.336 1.00 0.00 O ATOM 0 H SER A 40 -17.086 -5.665 -6.304 1.00 0.00 H new ATOM 0 HA SER A 40 -17.360 -5.436 -9.245 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.174 -4.415 -7.388 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.228 -4.201 -9.126 1.00 0.00 H new ATOM 0 HG SER A 40 -16.418 -2.710 -7.212 1.00 0.00 H new TER 625 SER A 40 ATOM 626 N MET B 41 -3.216 13.727 14.822 1.00 0.00 N ATOM 627 CA MET B 41 -4.497 13.036 14.551 1.00 0.00 C ATOM 628 C MET B 41 -4.282 11.550 14.261 1.00 0.00 C ATOM 629 O MET B 41 -5.166 10.735 14.518 1.00 0.00 O ATOM 630 CB MET B 41 -5.242 13.702 13.385 1.00 0.00 C ATOM 631 CG MET B 41 -4.467 13.729 12.076 1.00 0.00 C ATOM 632 SD MET B 41 -5.424 14.422 10.710 1.00 0.00 S ATOM 633 CE MET B 41 -5.739 16.081 11.310 1.00 0.00 C ATOM 0 HA MET B 41 -5.108 13.120 15.450 1.00 0.00 H new ATOM 0 HB2 MET B 41 -6.184 13.177 13.225 1.00 0.00 H new ATOM 0 HB3 MET B 41 -5.491 14.725 13.666 1.00 0.00 H new ATOM 0 HG2 MET B 41 -3.557 14.314 12.210 1.00 0.00 H new ATOM 0 HG3 MET B 41 -4.159 12.715 11.820 1.00 0.00 H new ATOM 0 HE1 MET B 41 -6.063 16.712 10.482 1.00 0.00 H new ATOM 0 HE2 MET B 41 -6.520 16.051 12.070 1.00 0.00 H new ATOM 0 HE3 MET B 41 -4.826 16.491 11.743 1.00 0.00 H new ATOM 645 N ASN B 42 -3.110 11.189 13.743 1.00 0.00 N ATOM 646 CA ASN B 42 -2.827 9.794 13.414 1.00 0.00 C ATOM 647 C ASN B 42 -1.419 9.399 13.838 1.00 0.00 C ATOM 648 O ASN B 42 -0.763 10.103 14.606 1.00 0.00 O ATOM 649 CB ASN B 42 -3.004 9.528 11.917 1.00 0.00 C ATOM 650 CG ASN B 42 -4.429 9.736 11.450 1.00 0.00 C ATOM 651 OD1 ASN B 42 -4.804 10.828 11.027 1.00 0.00 O ATOM 652 ND2 ASN B 42 -5.232 8.690 11.522 1.00 0.00 N ATOM 0 H ASN B 42 -2.347 11.836 13.543 1.00 0.00 H new ATOM 0 HA ASN B 42 -3.544 9.186 13.966 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -2.342 10.187 11.355 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -2.699 8.505 11.696 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -6.203 8.771 11.220 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -4.881 7.801 11.879 1.00 0.00 H new ATOM 659 N LYS B 43 -0.962 8.269 13.330 1.00 0.00 N ATOM 660 CA LYS B 43 0.324 7.711 13.712 1.00 0.00 C ATOM 661 C LYS B 43 1.394 8.066 12.686 1.00 0.00 C ATOM 662 O LYS B 43 1.092 8.601 11.619 1.00 0.00 O ATOM 663 CB LYS B 43 0.215 6.186 13.845 1.00 0.00 C ATOM 664 CG LYS B 43 -0.902 5.735 14.776 1.00 0.00 C ATOM 665 CD LYS B 43 -2.240 5.656 14.054 1.00 0.00 C ATOM 666 CE LYS B 43 -3.410 5.805 15.013 1.00 0.00 C ATOM 667 NZ LYS B 43 -3.451 4.721 16.029 1.00 0.00 N1+ ATOM 0 H LYS B 43 -1.470 7.713 12.642 1.00 0.00 H new ATOM 0 HA LYS B 43 0.612 8.137 14.673 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.051 5.754 12.858 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.163 5.793 14.211 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.656 4.759 15.194 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -0.981 6.429 15.613 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -2.290 6.437 13.296 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -2.316 4.701 13.534 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -3.343 6.769 15.517 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -4.342 5.805 14.448 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.303 4.828 16.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -3.474 3.798 15.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -2.605 4.778 16.632 1.00 0.00 H new ATOM 681 N THR B 44 2.638 7.781 13.028 1.00 0.00 N ATOM 682 CA THR B 44 3.756 8.010 12.131 1.00 0.00 C ATOM 683 C THR B 44 4.307 6.695 11.616 1.00 0.00 C ATOM 684 O THR B 44 3.940 5.629 12.108 1.00 0.00 O ATOM 685 CB THR B 44 4.876 8.784 12.834 1.00 0.00 C ATOM 686 OG1 THR B 44 4.987 8.355 14.198 1.00 0.00 O ATOM 687 CG2 THR B 44 4.613 10.275 12.771 1.00 0.00 C ATOM 0 H THR B 44 2.901 7.386 13.931 1.00 0.00 H new ATOM 0 HA THR B 44 3.387 8.601 11.293 1.00 0.00 H new ATOM 0 HB THR B 44 5.816 8.580 12.322 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.706 8.853 14.640 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.419 10.808 13.275 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.564 10.592 11.729 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.666 10.499 13.263 1.00 0.00 H new ATOM 695 N LEU B 45 5.195 6.767 10.639 1.00 0.00 N ATOM 696 CA LEU B 45 5.756 5.567 10.046 1.00 0.00 C ATOM 697 C LEU B 45 6.910 5.024 10.868 1.00 0.00 C ATOM 698 O LEU B 45 7.328 5.629 11.859 1.00 0.00 O ATOM 699 CB LEU B 45 6.208 5.822 8.611 1.00 0.00 C ATOM 700 CG LEU B 45 5.088 6.205 7.655 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.594 6.247 6.229 1.00 0.00 C ATOM 702 CD2 LEU B 45 3.944 5.225 7.786 1.00 0.00 C ATOM 0 H LEU B 45 5.541 7.640 10.242 1.00 0.00 H new ATOM 0 HA LEU B 45 4.965 4.817 10.034 1.00 0.00 H new ATOM 0 HB2 LEU B 45 6.954 6.617 8.614 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.700 4.925 8.234 1.00 0.00 H new ATOM 0 HG LEU B 45 4.730 7.201 7.914 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.778 6.523 5.561 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.394 6.983 6.148 1.00 0.00 H new ATOM 0 HD13 LEU B 45 5.976 5.265 5.949 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.145 5.504 7.099 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.295 4.222 7.545 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.566 5.242 8.808 1.00 0.00 H new ATOM 714 N LYS B 46 7.436 3.894 10.440 1.00 0.00 N ATOM 715 CA LYS B 46 8.484 3.219 11.175 1.00 0.00 C ATOM 716 C LYS B 46 9.835 3.772 10.752 1.00 0.00 C ATOM 717 O LYS B 46 10.637 4.201 11.584 1.00 0.00 O ATOM 718 CB LYS B 46 8.424 1.710 10.920 1.00 0.00 C ATOM 719 CG LYS B 46 7.035 1.099 11.081 1.00 0.00 C ATOM 720 CD LYS B 46 6.382 1.470 12.402 1.00 0.00 C ATOM 721 CE LYS B 46 7.158 0.932 13.594 1.00 0.00 C ATOM 722 NZ LYS B 46 7.202 -0.554 13.609 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.152 3.422 9.581 1.00 0.00 H new ATOM 0 HA LYS B 46 8.343 3.393 12.242 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.781 1.510 9.910 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.109 1.210 11.605 1.00 0.00 H new ATOM 0 HG2 LYS B 46 6.399 1.430 10.260 1.00 0.00 H new ATOM 0 HG3 LYS B 46 7.109 0.014 11.009 1.00 0.00 H new ATOM 0 HD2 LYS B 46 6.308 2.555 12.478 1.00 0.00 H new ATOM 0 HD3 LYS B 46 5.365 1.079 12.426 1.00 0.00 H new ATOM 0 HE2 LYS B 46 8.175 1.324 13.571 1.00 0.00 H new ATOM 0 HE3 LYS B 46 6.699 1.290 14.516 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.589 -0.881 14.517 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 6.240 -0.931 13.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 7.807 -0.891 12.833 1.00 0.00 H new ATOM 736 N THR B 47 10.062 3.781 9.449 1.00 0.00 N ATOM 737 CA THR B 47 11.277 4.335 8.886 1.00 0.00 C ATOM 738 C THR B 47 11.152 5.851 8.796 1.00 0.00 C ATOM 739 O THR B 47 10.165 6.373 8.277 1.00 0.00 O ATOM 740 CB THR B 47 11.542 3.760 7.483 1.00 0.00 C ATOM 741 OG1 THR B 47 11.509 2.327 7.529 1.00 0.00 O ATOM 742 CG2 THR B 47 12.888 4.227 6.949 1.00 0.00 C ATOM 0 H THR B 47 9.412 3.407 8.757 1.00 0.00 H new ATOM 0 HA THR B 47 12.111 4.069 9.535 1.00 0.00 H new ATOM 0 HB THR B 47 10.762 4.121 6.813 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.717 2.003 7.052 1.00 0.00 H new ATOM 0 HG21 THR B 47 13.051 3.807 5.957 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.898 5.315 6.889 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.681 3.894 7.619 1.00 0.00 H new ATOM 750 N LYS B 48 12.157 6.553 9.308 1.00 0.00 N ATOM 751 CA LYS B 48 12.125 8.007 9.376 1.00 0.00 C ATOM 752 C LYS B 48 12.141 8.620 7.982 1.00 0.00 C ATOM 753 O LYS B 48 11.504 9.646 7.741 1.00 0.00 O ATOM 754 CB LYS B 48 13.312 8.525 10.187 1.00 0.00 C ATOM 755 CG LYS B 48 13.242 10.015 10.497 1.00 0.00 C ATOM 756 CD LYS B 48 12.059 10.368 11.397 1.00 0.00 C ATOM 757 CE LYS B 48 12.345 10.108 12.874 1.00 0.00 C ATOM 758 NZ LYS B 48 12.610 8.675 13.172 1.00 0.00 N1+ ATOM 0 H LYS B 48 13.008 6.134 9.684 1.00 0.00 H new ATOM 0 HA LYS B 48 11.199 8.301 9.870 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.369 7.971 11.124 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.232 8.320 9.639 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.168 10.327 10.980 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.165 10.574 9.564 1.00 0.00 H new ATOM 0 HD2 LYS B 48 11.804 11.419 11.260 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.189 9.787 11.092 1.00 0.00 H new ATOM 0 HE2 LYS B 48 13.205 10.702 13.182 1.00 0.00 H new ATOM 0 HE3 LYS B 48 11.495 10.446 13.468 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 12.318 8.463 14.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 12.072 8.078 12.512 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 13.626 8.480 13.065 1.00 0.00 H new ATOM 772 N ALA B 49 12.873 7.988 7.074 1.00 0.00 N ATOM 773 CA ALA B 49 12.925 8.435 5.688 1.00 0.00 C ATOM 774 C ALA B 49 11.559 8.290 5.031 1.00 0.00 C ATOM 775 O ALA B 49 11.149 9.133 4.234 1.00 0.00 O ATOM 776 CB ALA B 49 13.974 7.650 4.914 1.00 0.00 C ATOM 0 H ALA B 49 13.440 7.163 7.273 1.00 0.00 H new ATOM 0 HA ALA B 49 13.204 9.489 5.675 1.00 0.00 H new ATOM 0 HB1 ALA B 49 13.999 7.997 3.881 1.00 0.00 H new ATOM 0 HB2 ALA B 49 14.952 7.801 5.371 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.723 6.589 4.935 1.00 0.00 H new ATOM 782 N PHE B 50 10.852 7.226 5.394 1.00 0.00 N ATOM 783 CA PHE B 50 9.517 6.968 4.871 1.00 0.00 C ATOM 784 C PHE B 50 8.520 7.932 5.487 1.00 0.00 C ATOM 785 O PHE B 50 7.712 8.545 4.784 1.00 0.00 O ATOM 786 CB PHE B 50 9.086 5.531 5.174 1.00 0.00 C ATOM 787 CG PHE B 50 9.705 4.488 4.283 1.00 0.00 C ATOM 788 CD1 PHE B 50 10.966 4.664 3.732 1.00 0.00 C ATOM 789 CD2 PHE B 50 9.016 3.322 4.005 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.522 3.697 2.916 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.566 2.351 3.191 1.00 0.00 C ATOM 792 CZ PHE B 50 10.821 2.537 2.647 1.00 0.00 C ATOM 0 H PHE B 50 11.185 6.523 6.054 1.00 0.00 H new ATOM 0 HA PHE B 50 9.542 7.110 3.791 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.338 5.301 6.209 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.001 5.466 5.088 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.520 5.567 3.943 1.00 0.00 H new ATOM 0 HD2 PHE B 50 8.035 3.168 4.430 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.503 3.848 2.489 1.00 0.00 H new ATOM 0 HE2 PHE B 50 9.014 1.447 2.980 1.00 0.00 H new ATOM 0 HZ PHE B 50 11.254 1.778 2.013 1.00 0.00 H new ATOM 802 N ASP B 51 8.593 8.063 6.810 1.00 0.00 N ATOM 803 CA ASP B 51 7.708 8.955 7.549 1.00 0.00 C ATOM 804 C ASP B 51 7.810 10.368 7.006 1.00 0.00 C ATOM 805 O ASP B 51 6.818 11.083 6.921 1.00 0.00 O ATOM 806 CB ASP B 51 8.045 8.957 9.042 1.00 0.00 C ATOM 807 CG ASP B 51 7.124 9.860 9.836 1.00 0.00 C ATOM 808 OD1 ASP B 51 5.912 9.573 9.893 1.00 0.00 O1- ATOM 809 OD2 ASP B 51 7.611 10.866 10.401 1.00 0.00 O ATOM 0 H ASP B 51 9.261 7.559 7.393 1.00 0.00 H new ATOM 0 HA ASP B 51 6.689 8.590 7.423 1.00 0.00 H new ATOM 0 HB2 ASP B 51 7.977 7.940 9.429 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.076 9.282 9.179 1.00 0.00 H new ATOM 814 N ASP B 52 9.021 10.748 6.616 1.00 0.00 N ATOM 815 CA ASP B 52 9.275 12.080 6.087 1.00 0.00 C ATOM 816 C ASP B 52 8.366 12.384 4.904 1.00 0.00 C ATOM 817 O ASP B 52 7.716 13.422 4.870 1.00 0.00 O ATOM 818 CB ASP B 52 10.737 12.224 5.673 1.00 0.00 C ATOM 819 CG ASP B 52 11.061 13.622 5.189 1.00 0.00 C ATOM 820 OD1 ASP B 52 10.991 14.564 6.004 1.00 0.00 O ATOM 821 OD2 ASP B 52 11.404 13.784 3.998 1.00 0.00 O1- ATOM 0 H ASP B 52 9.845 10.148 6.657 1.00 0.00 H new ATOM 0 HA ASP B 52 9.060 12.798 6.878 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.378 11.977 6.519 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.961 11.507 4.883 1.00 0.00 H new ATOM 826 N ILE B 53 8.302 11.464 3.951 1.00 0.00 N ATOM 827 CA ILE B 53 7.444 11.634 2.783 1.00 0.00 C ATOM 828 C ILE B 53 5.977 11.650 3.191 1.00 0.00 C ATOM 829 O ILE B 53 5.195 12.458 2.695 1.00 0.00 O ATOM 830 CB ILE B 53 7.676 10.517 1.749 1.00 0.00 C ATOM 831 CG1 ILE B 53 9.112 10.579 1.239 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.692 10.631 0.592 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.851 9.278 1.394 1.00 0.00 C ATOM 0 H ILE B 53 8.833 10.593 3.962 1.00 0.00 H new ATOM 0 HA ILE B 53 7.702 12.590 2.327 1.00 0.00 H new ATOM 0 HB ILE B 53 7.510 9.554 2.233 1.00 0.00 H new ATOM 0 HG12 ILE B 53 9.105 10.863 0.187 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.649 11.361 1.777 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.878 9.830 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.673 10.550 0.971 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.820 11.595 0.099 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.866 9.388 1.013 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.887 9.004 2.448 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.336 8.498 0.834 1.00 0.00 H new ATOM 845 N TYR B 54 5.622 10.769 4.117 1.00 0.00 N ATOM 846 CA TYR B 54 4.255 10.685 4.614 1.00 0.00 C ATOM 847 C TYR B 54 3.823 12.013 5.239 1.00 0.00 C ATOM 848 O TYR B 54 2.657 12.402 5.154 1.00 0.00 O ATOM 849 CB TYR B 54 4.137 9.550 5.636 1.00 0.00 C ATOM 850 CG TYR B 54 2.724 9.287 6.103 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.831 8.583 5.306 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.281 9.741 7.340 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.537 8.339 5.726 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.991 9.501 7.767 1.00 0.00 C ATOM 855 CZ TYR B 54 0.122 8.800 6.957 1.00 0.00 C ATOM 856 OH TYR B 54 -1.167 8.564 7.379 1.00 0.00 O ATOM 0 H TYR B 54 6.265 10.100 4.541 1.00 0.00 H new ATOM 0 HA TYR B 54 3.593 10.474 3.774 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.540 8.637 5.197 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.756 9.788 6.501 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.153 8.220 4.341 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.958 10.291 7.977 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.145 7.790 5.093 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.663 9.860 8.731 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.782 8.660 6.622 1.00 0.00 H new ATOM 866 N GLN B 55 4.769 12.714 5.853 1.00 0.00 N ATOM 867 CA GLN B 55 4.478 13.995 6.485 1.00 0.00 C ATOM 868 C GLN B 55 4.564 15.128 5.468 1.00 0.00 C ATOM 869 O GLN B 55 3.955 16.181 5.647 1.00 0.00 O ATOM 870 CB GLN B 55 5.456 14.268 7.632 1.00 0.00 C ATOM 871 CG GLN B 55 5.552 13.144 8.654 1.00 0.00 C ATOM 872 CD GLN B 55 4.229 12.824 9.317 1.00 0.00 C ATOM 873 OE1 GLN B 55 3.378 13.697 9.494 1.00 0.00 O ATOM 874 NE2 GLN B 55 4.048 11.569 9.699 1.00 0.00 N ATOM 0 H GLN B 55 5.742 12.418 5.927 1.00 0.00 H new ATOM 0 HA GLN B 55 3.465 13.947 6.883 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.446 14.449 7.214 1.00 0.00 H new ATOM 0 HB3 GLN B 55 5.153 15.182 8.142 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.931 12.247 8.163 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.277 13.419 9.420 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.778 10.875 9.534 1.00 0.00 H new ATOM 0 HE22 GLN B 55 3.179 11.296 10.158 1.00 0.00 H new ATOM 883 N ASN B 56 5.315 14.899 4.398 1.00 0.00 N ATOM 884 CA ASN B 56 5.579 15.937 3.404 1.00 0.00 C ATOM 885 C ASN B 56 4.756 15.745 2.141 1.00 0.00 C ATOM 886 O ASN B 56 5.119 16.244 1.075 1.00 0.00 O ATOM 887 CB ASN B 56 7.070 15.972 3.052 1.00 0.00 C ATOM 888 CG ASN B 56 7.884 16.718 4.089 1.00 0.00 C ATOM 889 OD1 ASN B 56 8.113 17.923 3.970 1.00 0.00 O ATOM 890 ND2 ASN B 56 8.317 16.011 5.119 1.00 0.00 N ATOM 0 H ASN B 56 5.754 14.001 4.194 1.00 0.00 H new ATOM 0 HA ASN B 56 5.286 16.888 3.849 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.445 14.952 2.963 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.201 16.446 2.079 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.863 16.462 5.853 1.00 0.00 H new ATOM 0 HD22 ASN B 56 8.105 15.015 5.179 1.00 0.00 H new ATOM 897 N SER B 57 3.651 15.025 2.249 1.00 0.00 N ATOM 898 CA SER B 57 2.779 14.824 1.108 1.00 0.00 C ATOM 899 C SER B 57 1.323 14.722 1.547 1.00 0.00 C ATOM 900 O SER B 57 0.879 13.685 2.046 1.00 0.00 O ATOM 901 CB SER B 57 3.191 13.573 0.334 1.00 0.00 C ATOM 902 OG SER B 57 2.480 13.483 -0.886 1.00 0.00 O ATOM 0 H SER B 57 3.340 14.574 3.109 1.00 0.00 H new ATOM 0 HA SER B 57 2.876 15.688 0.451 1.00 0.00 H new ATOM 0 HB2 SER B 57 4.262 13.599 0.135 1.00 0.00 H new ATOM 0 HB3 SER B 57 3.000 12.686 0.938 1.00 0.00 H new ATOM 0 HG SER B 57 3.113 13.487 -1.634 1.00 0.00 H new ATOM 908 N ALA B 58 0.583 15.803 1.360 1.00 0.00 N ATOM 909 CA ALA B 58 -0.828 15.831 1.705 1.00 0.00 C ATOM 910 C ALA B 58 -1.652 15.088 0.658 1.00 0.00 C ATOM 911 O ALA B 58 -2.735 14.576 0.950 1.00 0.00 O ATOM 912 CB ALA B 58 -1.308 17.265 1.849 1.00 0.00 C ATOM 0 H ALA B 58 0.939 16.676 0.970 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.961 15.326 2.662 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.367 17.270 2.108 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.740 17.762 2.636 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -1.162 17.794 0.907 1.00 0.00 H new ATOM 918 N GLU B 59 -1.118 15.011 -0.558 1.00 0.00 N ATOM 919 CA GLU B 59 -1.805 14.347 -1.656 1.00 0.00 C ATOM 920 C GLU B 59 -1.638 12.836 -1.550 1.00 0.00 C ATOM 921 O GLU B 59 -2.412 12.071 -2.118 1.00 0.00 O ATOM 922 CB GLU B 59 -1.281 14.873 -2.997 1.00 0.00 C ATOM 923 CG GLU B 59 0.229 14.779 -3.140 1.00 0.00 C ATOM 924 CD GLU B 59 0.763 15.646 -4.260 1.00 0.00 C ATOM 925 OE1 GLU B 59 1.091 16.819 -3.994 1.00 0.00 O1- ATOM 926 OE2 GLU B 59 0.871 15.157 -5.404 1.00 0.00 O ATOM 0 H GLU B 59 -0.209 15.402 -0.806 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.871 14.569 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -1.750 14.312 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.584 15.913 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.698 15.075 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.509 13.742 -3.324 1.00 0.00 H new ATOM 933 N LEU B 60 -0.622 12.420 -0.806 1.00 0.00 N ATOM 934 CA LEU B 60 -0.410 11.011 -0.504 1.00 0.00 C ATOM 935 C LEU B 60 -1.301 10.620 0.675 1.00 0.00 C ATOM 936 O LEU B 60 -1.818 9.505 0.746 1.00 0.00 O ATOM 937 CB LEU B 60 1.080 10.785 -0.184 1.00 0.00 C ATOM 938 CG LEU B 60 1.593 9.333 -0.176 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.245 8.626 1.124 1.00 0.00 C ATOM 940 CD2 LEU B 60 1.045 8.560 -1.364 1.00 0.00 C ATOM 0 H LEU B 60 0.074 13.044 -0.398 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.674 10.386 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.669 11.346 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.283 11.219 0.795 1.00 0.00 H new ATOM 0 HG LEU B 60 2.679 9.369 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.622 7.604 1.095 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.700 9.157 1.960 1.00 0.00 H new ATOM 0 HD13 LEU B 60 0.163 8.610 1.251 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.421 7.537 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -0.044 8.548 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.365 9.040 -2.289 1.00 0.00 H new ATOM 952 N GLN B 61 -1.502 11.574 1.579 1.00 0.00 N ATOM 953 CA GLN B 61 -2.303 11.364 2.773 1.00 0.00 C ATOM 954 C GLN B 61 -3.784 11.219 2.436 1.00 0.00 C ATOM 955 O GLN B 61 -4.473 10.364 2.996 1.00 0.00 O ATOM 956 CB GLN B 61 -2.107 12.536 3.741 1.00 0.00 C ATOM 957 CG GLN B 61 -2.917 12.404 5.019 1.00 0.00 C ATOM 958 CD GLN B 61 -2.458 11.242 5.872 1.00 0.00 C ATOM 959 OE1 GLN B 61 -2.927 10.053 5.537 1.00 0.00 O flip ATOM 960 NE2 GLN B 61 -1.651 11.408 6.787 1.00 0.00 N flip ATOM 0 H GLN B 61 -1.113 12.514 1.501 1.00 0.00 H new ATOM 0 HA GLN B 61 -1.971 10.437 3.241 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -1.050 12.614 3.996 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -2.383 13.463 3.238 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.838 13.327 5.593 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.970 12.274 4.768 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -1.317 12.346 7.009 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -1.316 10.608 7.323 1.00 0.00 H new ATOM 969 N GLU B 62 -4.268 12.051 1.518 1.00 0.00 N ATOM 970 CA GLU B 62 -5.695 12.105 1.208 1.00 0.00 C ATOM 971 C GLU B 62 -6.190 10.799 0.592 1.00 0.00 C ATOM 972 O GLU B 62 -7.362 10.453 0.713 1.00 0.00 O ATOM 973 CB GLU B 62 -5.999 13.273 0.268 1.00 0.00 C ATOM 974 CG GLU B 62 -5.370 13.148 -1.110 1.00 0.00 C ATOM 975 CD GLU B 62 -5.763 14.288 -2.026 1.00 0.00 C ATOM 976 OE1 GLU B 62 -6.801 14.175 -2.710 1.00 0.00 O ATOM 977 OE2 GLU B 62 -5.046 15.308 -2.059 1.00 0.00 O1- ATOM 0 H GLU B 62 -3.694 12.697 0.976 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.224 12.256 2.149 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -7.080 13.361 0.155 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.651 14.196 0.731 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.285 13.122 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.672 12.202 -1.560 1.00 0.00 H new ATOM 984 N LEU B 63 -5.288 10.071 -0.047 1.00 0.00 N ATOM 985 CA LEU B 63 -5.642 8.829 -0.720 1.00 0.00 C ATOM 986 C LEU B 63 -6.061 7.762 0.289 1.00 0.00 C ATOM 987 O LEU B 63 -6.885 6.899 -0.009 1.00 0.00 O ATOM 988 CB LEU B 63 -4.459 8.340 -1.554 1.00 0.00 C ATOM 989 CG LEU B 63 -3.915 9.365 -2.552 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.638 8.860 -3.190 1.00 0.00 C ATOM 991 CD2 LEU B 63 -4.949 9.682 -3.622 1.00 0.00 C ATOM 0 H LEU B 63 -4.301 10.319 -0.114 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.490 9.018 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.654 8.046 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.761 7.446 -2.100 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.694 10.282 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.266 9.602 -3.897 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -1.889 8.687 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.839 7.927 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.539 10.413 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.206 8.770 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -5.844 10.091 -3.153 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.516 7.851 1.494 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.821 6.889 2.549 1.00 0.00 C ATOM 1005 C LEU B 64 -7.157 7.198 3.216 1.00 0.00 C ATOM 1006 O LEU B 64 -7.624 6.443 4.070 1.00 0.00 O ATOM 1007 CB LEU B 64 -4.709 6.877 3.597 1.00 0.00 C ATOM 1008 CG LEU B 64 -3.413 6.193 3.167 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -2.320 6.448 4.188 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.636 4.700 2.984 1.00 0.00 C ATOM 0 H LEU B 64 -4.858 8.581 1.768 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.891 5.904 2.087 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -4.482 7.907 3.874 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -5.082 6.381 4.493 1.00 0.00 H new ATOM 0 HG LEU B 64 -3.098 6.612 2.211 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -1.402 5.955 3.869 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -2.145 7.520 4.273 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -2.627 6.052 5.156 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.703 4.228 2.678 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.971 4.264 3.925 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.394 4.537 2.218 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.773 8.305 2.824 1.00 0.00 N ATOM 1023 CA LYS B 65 -9.060 8.691 3.385 1.00 0.00 C ATOM 1024 C LYS B 65 -10.187 7.979 2.647 1.00 0.00 C ATOM 1025 O LYS B 65 -11.333 7.964 3.099 1.00 0.00 O ATOM 1026 CB LYS B 65 -9.249 10.208 3.308 1.00 0.00 C ATOM 1027 CG LYS B 65 -8.122 11.002 3.961 1.00 0.00 C ATOM 1028 CD LYS B 65 -7.931 10.633 5.427 1.00 0.00 C ATOM 1029 CE LYS B 65 -9.150 10.986 6.269 1.00 0.00 C ATOM 1030 NZ LYS B 65 -9.414 12.449 6.282 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.405 8.948 2.123 1.00 0.00 H new ATOM 0 HA LYS B 65 -9.084 8.396 4.434 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.329 10.502 2.262 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.192 10.472 3.787 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -7.193 10.823 3.419 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -8.337 12.068 3.882 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -7.731 9.565 5.509 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -7.057 11.152 5.820 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -10.024 10.464 5.879 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -8.999 10.636 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -10.115 12.669 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -8.530 12.959 6.483 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -9.781 12.744 5.355 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.848 7.383 1.512 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.810 6.619 0.736 1.00 0.00 C ATOM 1046 C TYR B 66 -10.810 5.169 1.197 1.00 0.00 C ATOM 1047 O TYR B 66 -9.762 4.518 1.241 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.479 6.689 -0.755 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.461 8.091 -1.319 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.611 8.669 -1.835 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.289 8.833 -1.337 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.594 9.948 -2.355 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.264 10.112 -1.853 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.417 10.666 -2.360 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.393 11.941 -2.876 1.00 0.00 O ATOM 0 H TYR B 66 -8.912 7.415 1.109 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.800 7.049 0.892 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.505 6.230 -0.922 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -11.209 6.097 -1.306 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.535 8.110 -1.830 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.381 8.402 -0.941 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.498 10.383 -2.756 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.343 10.676 -1.859 1.00 0.00 H new ATOM 0 HH TYR B 66 -9.487 12.307 -2.802 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.993 4.668 1.526 1.00 0.00 N ATOM 1066 CA ASN B 67 -12.143 3.321 2.074 1.00 0.00 C ATOM 1067 C ASN B 67 -11.791 2.263 1.038 1.00 0.00 C ATOM 1068 O ASN B 67 -11.381 1.163 1.383 1.00 0.00 O ATOM 1069 CB ASN B 67 -13.579 3.104 2.560 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.975 4.062 3.666 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -13.165 4.419 4.521 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -15.218 4.510 3.635 1.00 0.00 N ATOM 0 H ASN B 67 -12.871 5.177 1.423 1.00 0.00 H new ATOM 0 HA ASN B 67 -11.456 3.225 2.914 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -14.264 3.222 1.720 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -13.686 2.080 2.917 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -15.537 5.177 4.337 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.858 4.189 2.909 1.00 0.00 H new ATOM 1079 N THR B 68 -11.940 2.615 -0.230 1.00 0.00 N ATOM 1080 CA THR B 68 -11.666 1.703 -1.329 1.00 0.00 C ATOM 1081 C THR B 68 -10.164 1.573 -1.546 1.00 0.00 C ATOM 1082 O THR B 68 -9.644 0.497 -1.860 1.00 0.00 O ATOM 1083 CB THR B 68 -12.340 2.217 -2.621 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.763 2.219 -2.458 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.961 1.383 -3.836 1.00 0.00 C ATOM 0 H THR B 68 -12.254 3.539 -0.525 1.00 0.00 H new ATOM 0 HA THR B 68 -12.071 0.723 -1.079 1.00 0.00 H new ATOM 0 HB THR B 68 -11.984 3.232 -2.796 1.00 0.00 H new ATOM 0 HG1 THR B 68 -14.186 2.547 -3.279 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.458 1.782 -4.720 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.881 1.419 -3.980 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.272 0.350 -3.680 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.479 2.680 -1.341 1.00 0.00 N ATOM 1094 CA VAL B 69 -8.049 2.758 -1.549 1.00 0.00 C ATOM 1095 C VAL B 69 -7.308 2.113 -0.392 1.00 0.00 C ATOM 1096 O VAL B 69 -6.490 1.210 -0.586 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.621 4.225 -1.687 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -6.129 4.341 -1.929 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -8.408 4.886 -2.802 1.00 0.00 C ATOM 0 H VAL B 69 -9.901 3.553 -1.024 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.801 2.222 -2.465 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.838 4.741 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.856 5.392 -2.023 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.589 3.899 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.867 3.815 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -8.101 5.928 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.217 4.365 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -9.473 4.841 -2.572 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.624 2.568 0.811 1.00 0.00 N ATOM 1110 CA LYS B 70 -7.004 2.051 2.020 1.00 0.00 C ATOM 1111 C LYS B 70 -7.269 0.548 2.163 1.00 0.00 C ATOM 1112 O LYS B 70 -6.427 -0.194 2.668 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.519 2.830 3.236 1.00 0.00 C ATOM 1114 CG LYS B 70 -6.838 2.456 4.541 1.00 0.00 C ATOM 1115 CD LYS B 70 -7.066 3.503 5.625 1.00 0.00 C ATOM 1116 CE LYS B 70 -8.543 3.756 5.880 1.00 0.00 C ATOM 1117 NZ LYS B 70 -8.756 4.641 7.053 1.00 0.00 N1+ ATOM 0 H LYS B 70 -8.313 3.302 0.976 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.924 2.186 1.957 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -7.380 3.896 3.058 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -8.591 2.661 3.336 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -7.215 1.492 4.883 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -5.768 2.338 4.371 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -6.591 3.175 6.550 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -6.585 4.436 5.333 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -8.992 4.209 4.996 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -9.052 2.806 6.044 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -9.729 5.009 7.038 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.603 4.100 7.928 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -8.085 5.435 7.015 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.433 0.105 1.689 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.768 -1.317 1.673 1.00 0.00 C ATOM 1133 C PHE B 71 -7.762 -2.104 0.836 1.00 0.00 C ATOM 1134 O PHE B 71 -7.155 -3.057 1.319 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.184 -1.526 1.122 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.528 -2.959 0.812 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -10.853 -3.846 1.825 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.529 -3.414 -0.498 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.172 -5.161 1.538 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -10.847 -4.724 -0.792 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.170 -5.600 0.228 1.00 0.00 C ATOM 0 H PHE B 71 -9.160 0.712 1.311 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.728 -1.685 2.698 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -10.902 -1.142 1.846 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.298 -0.934 0.214 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -10.857 -3.507 2.850 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.278 -2.734 -1.299 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.422 -5.844 2.337 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -10.844 -5.065 -1.817 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.420 -6.626 0.001 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.579 -1.684 -0.413 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.727 -2.411 -1.350 1.00 0.00 C ATOM 1153 C HIS B 72 -5.262 -2.368 -0.936 1.00 0.00 C ATOM 1154 O HIS B 72 -4.505 -3.291 -1.224 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.893 -1.866 -2.770 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.084 -2.424 -3.487 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.270 -1.739 -3.635 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.262 -3.616 -4.102 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.126 -2.488 -4.307 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.538 -3.630 -4.602 1.00 0.00 N ATOM 0 H HIS B 72 -8.009 -0.844 -0.800 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.046 -3.453 -1.333 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.980 -0.780 -2.726 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -5.994 -2.091 -3.345 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -7.534 -4.409 -4.184 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.136 -2.211 -4.570 1.00 0.00 H new ATOM 0 HE2 HIS B 72 -9.964 -4.400 -5.119 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.866 -1.304 -0.256 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.500 -1.188 0.231 1.00 0.00 C ATOM 1171 C LEU B 73 -3.259 -2.148 1.391 1.00 0.00 C ATOM 1172 O LEU B 73 -2.249 -2.844 1.431 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.201 0.249 0.652 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.139 1.258 -0.495 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.962 2.666 0.046 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.007 0.910 -1.452 1.00 0.00 C ATOM 0 H LEU B 73 -5.467 -0.512 -0.029 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.823 -1.456 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.966 0.571 1.359 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.249 0.266 1.183 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.080 1.214 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.920 3.372 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.803 2.916 0.693 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -2.036 2.722 0.618 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -1.978 1.639 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.059 0.927 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.173 -0.085 -1.865 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.196 -2.202 2.326 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.086 -3.120 3.453 1.00 0.00 C ATOM 1190 C ALA B 74 -4.175 -4.577 2.999 1.00 0.00 C ATOM 1191 O ALA B 74 -3.755 -5.486 3.718 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.143 -2.808 4.495 1.00 0.00 C ATOM 0 H ALA B 74 -5.037 -1.625 2.328 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.104 -2.981 3.906 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.047 -3.502 5.330 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.009 -1.788 4.855 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.133 -2.909 4.051 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.709 -4.794 1.802 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.743 -6.126 1.210 1.00 0.00 C ATOM 1200 C LYS B 75 -3.328 -6.639 0.970 1.00 0.00 C ATOM 1201 O LYS B 75 -3.047 -7.823 1.160 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.512 -6.118 -0.114 1.00 0.00 C ATOM 1203 CG LYS B 75 -6.996 -5.819 0.027 1.00 0.00 C ATOM 1204 CD LYS B 75 -7.740 -6.931 0.753 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.685 -8.239 -0.018 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.524 -9.290 0.613 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.124 -4.064 1.223 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.254 -6.787 1.910 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.065 -5.376 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.393 -7.088 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.126 -4.883 0.569 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.432 -5.678 -0.962 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -7.306 -7.073 1.743 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -8.780 -6.638 0.900 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -8.022 -8.072 -1.041 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -6.653 -8.584 -0.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.368 -10.197 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -8.266 -9.385 1.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -9.527 -9.025 0.537 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.431 -5.745 0.568 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.061 -6.138 0.280 1.00 0.00 C ATOM 1222 C VAL B 76 -0.268 -6.267 1.576 1.00 0.00 C ATOM 1223 O VAL B 76 0.674 -7.050 1.658 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.354 -5.150 -0.687 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.289 -4.751 -1.815 1.00 0.00 C ATOM 1226 CG2 VAL B 76 0.172 -3.919 0.035 1.00 0.00 C ATOM 0 H VAL B 76 -2.627 -4.753 0.436 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.100 -7.105 -0.221 1.00 0.00 H new ATOM 0 HB VAL B 76 0.508 -5.668 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -0.778 -4.058 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.587 -5.639 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.174 -4.269 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.658 -3.257 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.657 -3.394 0.510 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.892 -4.223 0.795 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.680 -5.518 2.598 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.026 -5.556 3.902 1.00 0.00 C ATOM 1238 C TYR B 77 -0.010 -6.975 4.465 1.00 0.00 C ATOM 1239 O TYR B 77 0.996 -7.422 5.019 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.732 -4.603 4.875 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.261 -4.717 6.311 1.00 0.00 C ATOM 1242 CD1 TYR B 77 1.092 -4.759 6.623 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.174 -4.777 7.355 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.521 -4.860 7.932 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.753 -4.878 8.667 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.595 -4.919 8.950 1.00 0.00 C ATOM 1247 OH TYR B 77 1.022 -5.017 10.254 1.00 0.00 O ATOM 0 H TYR B 77 -1.469 -4.874 2.545 1.00 0.00 H new ATOM 0 HA TYR B 77 1.007 -5.231 3.776 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.581 -3.578 4.536 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.804 -4.796 4.840 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.821 -4.712 5.828 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.231 -4.744 7.138 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.577 -4.893 8.156 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.477 -4.925 9.467 1.00 0.00 H new ATOM 0 HH TYR B 77 0.245 -5.047 10.851 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.120 -7.685 4.293 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.231 -9.057 4.773 1.00 0.00 C ATOM 1259 C ARG B 78 -0.195 -9.948 4.098 1.00 0.00 C ATOM 1260 O ARG B 78 0.261 -10.935 4.670 1.00 0.00 O ATOM 1261 CB ARG B 78 -2.625 -9.613 4.511 1.00 0.00 C ATOM 1262 CG ARG B 78 -3.728 -8.777 5.125 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.017 -9.565 5.242 1.00 0.00 C ATOM 1264 NE ARG B 78 -5.455 -10.104 3.956 1.00 0.00 N ATOM 1265 CZ ARG B 78 -6.572 -10.807 3.781 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -7.389 -11.037 4.802 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -6.871 -11.282 2.579 1.00 0.00 N ATOM 0 H ARG B 78 -1.955 -7.333 3.825 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.050 -9.047 5.848 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -2.786 -9.680 3.435 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -2.684 -10.627 4.906 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.419 -8.432 6.112 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -3.896 -7.889 4.516 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -4.877 -10.384 5.948 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.798 -8.922 5.649 1.00 0.00 H new ATOM 0 HE ARG B 78 -4.867 -9.930 3.141 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.163 -10.674 5.728 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -8.243 -11.576 4.660 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -6.246 -11.108 1.792 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -7.726 -11.821 2.442 1.00 0.00 H new ATOM 1281 N ILE B 79 0.184 -9.570 2.886 1.00 0.00 N ATOM 1282 CA ILE B 79 1.130 -10.343 2.098 1.00 0.00 C ATOM 1283 C ILE B 79 2.555 -10.153 2.613 1.00 0.00 C ATOM 1284 O ILE B 79 3.317 -11.113 2.709 1.00 0.00 O ATOM 1285 CB ILE B 79 1.072 -9.954 0.608 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.368 -10.036 0.096 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.977 -10.860 -0.213 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.529 -9.588 -1.339 1.00 0.00 C ATOM 0 H ILE B 79 -0.153 -8.725 2.425 1.00 0.00 H new ATOM 0 HA ILE B 79 0.848 -11.391 2.199 1.00 0.00 H new ATOM 0 HB ILE B 79 1.423 -8.927 0.503 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -0.719 -11.064 0.188 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.006 -9.423 0.733 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.924 -10.572 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE B 79 3.004 -10.764 0.139 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.652 -11.895 -0.104 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.575 -9.674 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.210 -8.550 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE B 79 0.082 -10.216 -1.987 1.00 0.00 H new ATOM 1300 N LEU B 80 2.912 -8.919 2.959 1.00 0.00 N ATOM 1301 CA LEU B 80 4.252 -8.644 3.479 1.00 0.00 C ATOM 1302 C LEU B 80 4.407 -9.195 4.890 1.00 0.00 C ATOM 1303 O LEU B 80 5.519 -9.302 5.406 1.00 0.00 O ATOM 1304 CB LEU B 80 4.578 -7.145 3.478 1.00 0.00 C ATOM 1305 CG LEU B 80 4.813 -6.496 2.109 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.657 -7.394 1.217 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.499 -6.140 1.441 1.00 0.00 C ATOM 0 H LEU B 80 2.304 -8.103 2.891 1.00 0.00 H new ATOM 0 HA LEU B 80 4.955 -9.143 2.812 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.760 -6.618 3.969 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.469 -6.989 4.087 1.00 0.00 H new ATOM 0 HG LEU B 80 5.366 -5.570 2.268 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.808 -6.910 0.252 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.623 -7.572 1.689 1.00 0.00 H new ATOM 0 HD13 LEU B 80 5.145 -8.345 1.069 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.696 -5.681 0.472 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.906 -7.043 1.301 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.950 -5.439 2.069 1.00 0.00 H new ATOM 1319 N SER B 81 3.288 -9.547 5.506 1.00 0.00 N ATOM 1320 CA SER B 81 3.297 -10.153 6.826 1.00 0.00 C ATOM 1321 C SER B 81 3.266 -11.678 6.696 1.00 0.00 C ATOM 1322 O SER B 81 2.868 -12.385 7.627 1.00 0.00 O ATOM 1323 CB SER B 81 2.098 -9.649 7.641 1.00 0.00 C ATOM 1324 OG SER B 81 2.151 -10.107 8.983 1.00 0.00 O ATOM 0 H SER B 81 2.357 -9.422 5.108 1.00 0.00 H new ATOM 0 HA SER B 81 4.210 -9.870 7.349 1.00 0.00 H new ATOM 0 HB2 SER B 81 2.080 -8.559 7.628 1.00 0.00 H new ATOM 0 HB3 SER B 81 1.172 -9.988 7.176 1.00 0.00 H new ATOM 0 HG SER B 81 2.430 -11.046 8.997 1.00 0.00 H new ATOM 1330 N SER B 82 3.696 -12.158 5.524 1.00 0.00 N ATOM 1331 CA SER B 82 3.709 -13.581 5.186 1.00 0.00 C ATOM 1332 C SER B 82 2.287 -14.090 4.954 1.00 0.00 C ATOM 1333 O SER B 82 1.371 -13.811 5.727 1.00 0.00 O ATOM 1334 CB SER B 82 4.421 -14.407 6.265 1.00 0.00 C ATOM 1335 OG SER B 82 4.630 -15.745 5.836 1.00 0.00 O ATOM 0 H SER B 82 4.048 -11.560 4.776 1.00 0.00 H new ATOM 0 HA SER B 82 4.271 -13.701 4.260 1.00 0.00 H new ATOM 0 HB2 SER B 82 5.379 -13.946 6.506 1.00 0.00 H new ATOM 0 HB3 SER B 82 3.827 -14.404 7.179 1.00 0.00 H new ATOM 0 HG SER B 82 4.007 -16.340 6.303 1.00 0.00 H new ATOM 1341 N THR B 83 2.120 -14.840 3.869 1.00 0.00 N ATOM 1342 CA THR B 83 0.809 -15.323 3.442 1.00 0.00 C ATOM 1343 C THR B 83 0.206 -16.283 4.468 1.00 0.00 C ATOM 1344 O THR B 83 -1.002 -16.533 4.473 1.00 0.00 O ATOM 1345 CB THR B 83 0.908 -16.018 2.065 1.00 0.00 C ATOM 1346 OG1 THR B 83 -0.391 -16.391 1.590 1.00 0.00 O ATOM 1347 CG2 THR B 83 1.800 -17.251 2.136 1.00 0.00 C ATOM 0 H THR B 83 2.887 -15.130 3.262 1.00 0.00 H new ATOM 0 HA THR B 83 0.152 -14.457 3.358 1.00 0.00 H new ATOM 0 HB THR B 83 1.351 -15.306 1.369 1.00 0.00 H new ATOM 0 HG1 THR B 83 -0.307 -16.828 0.717 1.00 0.00 H new ATOM 0 HG21 THR B 83 1.851 -17.720 1.153 1.00 0.00 H new ATOM 0 HG22 THR B 83 2.801 -16.958 2.451 1.00 0.00 H new ATOM 0 HG23 THR B 83 1.386 -17.959 2.854 1.00 0.00 H new ATOM 1355 N VAL B 84 1.054 -16.811 5.337 1.00 0.00 N ATOM 1356 CA VAL B 84 0.619 -17.713 6.387 1.00 0.00 C ATOM 1357 C VAL B 84 1.211 -17.286 7.721 1.00 0.00 C ATOM 1358 O VAL B 84 2.318 -16.747 7.775 1.00 0.00 O ATOM 1359 CB VAL B 84 1.024 -19.173 6.086 1.00 0.00 C ATOM 1360 CG1 VAL B 84 0.198 -19.731 4.938 1.00 0.00 C ATOM 1361 CG2 VAL B 84 2.511 -19.271 5.769 1.00 0.00 C ATOM 0 H VAL B 84 2.057 -16.626 5.333 1.00 0.00 H new ATOM 0 HA VAL B 84 -0.469 -17.664 6.434 1.00 0.00 H new ATOM 0 HB VAL B 84 0.826 -19.769 6.977 1.00 0.00 H new ATOM 0 HG11 VAL B 84 0.498 -20.760 4.741 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -0.859 -19.705 5.204 1.00 0.00 H new ATOM 0 HG13 VAL B 84 0.362 -19.128 4.045 1.00 0.00 H new ATOM 0 HG21 VAL B 84 2.771 -20.309 5.561 1.00 0.00 H new ATOM 0 HG22 VAL B 84 2.738 -18.658 4.897 1.00 0.00 H new ATOM 0 HG23 VAL B 84 3.089 -18.916 6.622 1.00 0.00 H new ATOM 1371 N ASN B 85 0.475 -17.536 8.799 1.00 0.00 N ATOM 1372 CA ASN B 85 0.908 -17.136 10.142 1.00 0.00 C ATOM 1373 C ASN B 85 2.046 -18.012 10.651 1.00 0.00 C ATOM 1374 O ASN B 85 2.431 -17.940 11.820 1.00 0.00 O ATOM 1375 CB ASN B 85 -0.263 -17.158 11.138 1.00 0.00 C ATOM 1376 CG ASN B 85 -0.707 -18.558 11.550 1.00 0.00 C ATOM 1377 OD1 ASN B 85 -0.633 -19.519 10.642 1.00 0.00 O flip ATOM 1378 ND2 ASN B 85 -1.136 -18.768 12.683 1.00 0.00 N flip ATOM 0 H ASN B 85 -0.426 -18.014 8.773 1.00 0.00 H new ATOM 0 HA ASN B 85 1.276 -16.113 10.063 1.00 0.00 H new ATOM 0 HB2 ASN B 85 0.024 -16.602 12.031 1.00 0.00 H new ATOM 0 HB3 ASN B 85 -1.111 -16.635 10.696 1.00 0.00 H new ATOM 0 HD21 ASN B 85 -1.181 -18.007 13.361 1.00 0.00 H new ATOM 0 HD22 ASN B 85 -1.447 -19.703 12.945 1.00 0.00 H new ATOM 1385 N ASP B 86 2.582 -18.822 9.759 1.00 0.00 N ATOM 1386 CA ASP B 86 3.714 -19.681 10.071 1.00 0.00 C ATOM 1387 C ASP B 86 4.977 -18.848 10.173 1.00 0.00 C ATOM 1388 O ASP B 86 5.789 -19.047 11.078 1.00 0.00 O ATOM 1389 CB ASP B 86 3.892 -20.746 8.986 1.00 0.00 C ATOM 1390 CG ASP B 86 5.139 -21.587 9.196 1.00 0.00 C ATOM 1391 OD1 ASP B 86 5.156 -22.408 10.136 1.00 0.00 O ATOM 1392 OD2 ASP B 86 6.106 -21.435 8.421 1.00 0.00 O1- ATOM 0 H ASP B 86 2.248 -18.905 8.799 1.00 0.00 H new ATOM 0 HA ASP B 86 3.524 -20.175 11.024 1.00 0.00 H new ATOM 0 HB2 ASP B 86 3.017 -21.396 8.973 1.00 0.00 H new ATOM 0 HB3 ASP B 86 3.944 -20.262 8.011 1.00 0.00 H new ATOM 1397 N GLY B 87 5.123 -17.900 9.256 1.00 0.00 N ATOM 1398 CA GLY B 87 6.322 -17.088 9.217 1.00 0.00 C ATOM 1399 C GLY B 87 7.552 -17.948 9.055 1.00 0.00 C ATOM 1400 O GLY B 87 8.388 -18.029 9.962 1.00 0.00 O ATOM 0 H GLY B 87 4.432 -17.680 8.539 1.00 0.00 H new ATOM 0 HA2 GLY B 87 6.259 -16.379 8.392 1.00 0.00 H new ATOM 0 HA3 GLY B 87 6.400 -16.504 10.134 1.00 0.00 H new ATOM 1404 N SER B 88 7.643 -18.613 7.911 1.00 0.00 N ATOM 1405 CA SER B 88 8.717 -19.551 7.646 1.00 0.00 C ATOM 1406 C SER B 88 10.070 -18.864 7.751 1.00 0.00 C ATOM 1407 O SER B 88 10.456 -18.070 6.892 1.00 0.00 O ATOM 1408 CB SER B 88 8.539 -20.171 6.266 1.00 0.00 C ATOM 1409 OG SER B 88 7.252 -20.758 6.134 1.00 0.00 O ATOM 0 H SER B 88 6.976 -18.516 7.146 1.00 0.00 H new ATOM 0 HA SER B 88 8.680 -20.342 8.395 1.00 0.00 H new ATOM 0 HB2 SER B 88 8.675 -19.407 5.500 1.00 0.00 H new ATOM 0 HB3 SER B 88 9.306 -20.927 6.101 1.00 0.00 H new ATOM 0 HG SER B 88 7.036 -21.260 6.948 1.00 0.00 H new ATOM 1415 N SER B 89 10.779 -19.182 8.814 1.00 0.00 N ATOM 1416 CA SER B 89 12.025 -18.517 9.128 1.00 0.00 C ATOM 1417 C SER B 89 13.209 -19.415 8.797 1.00 0.00 C ATOM 1418 O SER B 89 13.207 -20.603 9.121 1.00 0.00 O ATOM 1419 CB SER B 89 12.039 -18.133 10.606 1.00 0.00 C ATOM 1420 OG SER B 89 10.905 -17.336 10.934 1.00 0.00 O ATOM 0 H SER B 89 10.509 -19.905 9.481 1.00 0.00 H new ATOM 0 HA SER B 89 12.109 -17.613 8.524 1.00 0.00 H new ATOM 0 HB2 SER B 89 12.046 -19.034 11.220 1.00 0.00 H new ATOM 0 HB3 SER B 89 12.953 -17.585 10.835 1.00 0.00 H new ATOM 0 HG SER B 89 10.088 -17.797 10.651 1.00 0.00 H new ATOM 1426 N GLY B 90 14.202 -18.849 8.127 1.00 0.00 N ATOM 1427 CA GLY B 90 15.383 -19.606 7.773 1.00 0.00 C ATOM 1428 C GLY B 90 15.292 -20.192 6.381 1.00 0.00 C ATOM 1429 O GLY B 90 16.195 -20.897 5.932 1.00 0.00 O ATOM 0 H GLY B 90 14.210 -17.876 7.822 1.00 0.00 H new ATOM 0 HA2 GLY B 90 16.259 -18.960 7.837 1.00 0.00 H new ATOM 0 HA3 GLY B 90 15.527 -20.410 8.495 1.00 0.00 H new ATOM 1433 N LYS B 91 14.200 -19.896 5.698 1.00 0.00 N ATOM 1434 CA LYS B 91 13.978 -20.404 4.352 1.00 0.00 C ATOM 1435 C LYS B 91 13.282 -19.366 3.504 1.00 0.00 C ATOM 1436 O LYS B 91 12.242 -19.633 2.894 1.00 0.00 O ATOM 1437 CB LYS B 91 13.169 -21.704 4.380 1.00 0.00 C ATOM 1438 CG LYS B 91 11.873 -21.610 5.175 1.00 0.00 C ATOM 1439 CD LYS B 91 10.944 -22.778 4.877 1.00 0.00 C ATOM 1440 CE LYS B 91 10.063 -22.518 3.655 1.00 0.00 C ATOM 1441 NZ LYS B 91 10.847 -22.231 2.420 1.00 0.00 N1+ ATOM 0 H LYS B 91 13.449 -19.304 6.054 1.00 0.00 H new ATOM 0 HA LYS B 91 14.950 -20.622 3.909 1.00 0.00 H new ATOM 0 HB2 LYS B 91 12.935 -21.996 3.356 1.00 0.00 H new ATOM 0 HB3 LYS B 91 13.787 -22.495 4.804 1.00 0.00 H new ATOM 0 HG2 LYS B 91 12.101 -21.589 6.241 1.00 0.00 H new ATOM 0 HG3 LYS B 91 11.368 -20.674 4.938 1.00 0.00 H new ATOM 0 HD2 LYS B 91 11.536 -23.678 4.711 1.00 0.00 H new ATOM 0 HD3 LYS B 91 10.312 -22.968 5.745 1.00 0.00 H new ATOM 0 HE2 LYS B 91 9.427 -23.386 3.481 1.00 0.00 H new ATOM 0 HE3 LYS B 91 9.403 -21.676 3.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 10.214 -22.248 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 11.288 -21.292 2.499 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 11.587 -22.952 2.303 1.00 0.00 H new ATOM 1455 N MET B 92 13.879 -18.184 3.474 1.00 0.00 N ATOM 1456 CA MET B 92 13.406 -17.091 2.655 1.00 0.00 C ATOM 1457 C MET B 92 11.962 -16.713 3.003 1.00 0.00 C ATOM 1458 O MET B 92 11.731 -16.062 4.021 1.00 0.00 O ATOM 1459 CB MET B 92 13.550 -17.476 1.187 1.00 0.00 C ATOM 1460 CG MET B 92 13.310 -16.330 0.239 1.00 0.00 C ATOM 1461 SD MET B 92 13.541 -16.794 -1.485 1.00 0.00 S ATOM 1462 CE MET B 92 15.274 -17.232 -1.464 1.00 0.00 C ATOM 0 H MET B 92 14.710 -17.960 4.022 1.00 0.00 H new ATOM 0 HA MET B 92 14.011 -16.206 2.852 1.00 0.00 H new ATOM 0 HB2 MET B 92 14.552 -17.872 1.020 1.00 0.00 H new ATOM 0 HB3 MET B 92 12.848 -18.278 0.959 1.00 0.00 H new ATOM 0 HG2 MET B 92 12.296 -15.956 0.377 1.00 0.00 H new ATOM 0 HG3 MET B 92 13.988 -15.512 0.485 1.00 0.00 H new ATOM 0 HE1 MET B 92 15.674 -17.182 -2.477 1.00 0.00 H new ATOM 0 HE2 MET B 92 15.817 -16.536 -0.825 1.00 0.00 H new ATOM 0 HE3 MET B 92 15.389 -18.245 -1.078 1.00 0.00 H new ATOM 1472 N ASN B 93 11.009 -17.148 2.172 1.00 0.00 N ATOM 1473 CA ASN B 93 9.582 -16.846 2.353 1.00 0.00 C ATOM 1474 C ASN B 93 9.276 -15.357 2.170 1.00 0.00 C ATOM 1475 O ASN B 93 8.544 -14.982 1.257 1.00 0.00 O ATOM 1476 CB ASN B 93 9.080 -17.330 3.720 1.00 0.00 C ATOM 1477 CG ASN B 93 7.595 -17.071 3.939 1.00 0.00 C ATOM 1478 OD1 ASN B 93 6.809 -17.146 2.874 1.00 0.00 O flip ATOM 1479 ND2 ASN B 93 7.153 -16.825 5.063 1.00 0.00 N flip ATOM 0 H ASN B 93 11.205 -17.722 1.352 1.00 0.00 H new ATOM 0 HA ASN B 93 9.048 -17.389 1.573 1.00 0.00 H new ATOM 0 HB2 ASN B 93 9.274 -18.399 3.814 1.00 0.00 H new ATOM 0 HB3 ASN B 93 9.649 -16.833 4.506 1.00 0.00 H new ATOM 0 HD21 ASN B 93 7.787 -16.775 5.861 1.00 0.00 H new ATOM 0 HD22 ASN B 93 6.153 -16.672 5.196 1.00 0.00 H new ATOM 1486 N SER B 94 9.848 -14.516 3.019 1.00 0.00 N ATOM 1487 CA SER B 94 9.574 -13.085 2.994 1.00 0.00 C ATOM 1488 C SER B 94 9.897 -12.490 1.626 1.00 0.00 C ATOM 1489 O SER B 94 9.189 -11.610 1.141 1.00 0.00 O ATOM 1490 CB SER B 94 10.373 -12.373 4.090 1.00 0.00 C ATOM 1491 OG SER B 94 10.002 -11.008 4.191 1.00 0.00 O ATOM 0 H SER B 94 10.510 -14.802 3.740 1.00 0.00 H new ATOM 0 HA SER B 94 8.511 -12.938 3.183 1.00 0.00 H new ATOM 0 HB2 SER B 94 10.206 -12.869 5.046 1.00 0.00 H new ATOM 0 HB3 SER B 94 11.439 -12.448 3.874 1.00 0.00 H new ATOM 0 HG SER B 94 10.526 -10.578 4.899 1.00 0.00 H new ATOM 1497 N ASP B 95 10.951 -12.997 0.995 1.00 0.00 N ATOM 1498 CA ASP B 95 11.354 -12.523 -0.328 1.00 0.00 C ATOM 1499 C ASP B 95 10.269 -12.810 -1.361 1.00 0.00 C ATOM 1500 O ASP B 95 9.984 -11.982 -2.226 1.00 0.00 O ATOM 1501 CB ASP B 95 12.670 -13.181 -0.751 1.00 0.00 C ATOM 1502 CG ASP B 95 13.049 -12.872 -2.186 1.00 0.00 C ATOM 1503 OD1 ASP B 95 13.689 -11.828 -2.427 1.00 0.00 O1- ATOM 1504 OD2 ASP B 95 12.716 -13.677 -3.080 1.00 0.00 O ATOM 0 H ASP B 95 11.542 -13.735 1.376 1.00 0.00 H new ATOM 0 HA ASP B 95 11.500 -11.444 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP B 95 13.468 -12.844 -0.089 1.00 0.00 H new ATOM 0 HB3 ASP B 95 12.587 -14.261 -0.627 1.00 0.00 H new ATOM 1509 N LEU B 96 9.643 -13.975 -1.244 1.00 0.00 N ATOM 1510 CA LEU B 96 8.599 -14.374 -2.177 1.00 0.00 C ATOM 1511 C LEU B 96 7.346 -13.542 -1.925 1.00 0.00 C ATOM 1512 O LEU B 96 6.591 -13.236 -2.848 1.00 0.00 O ATOM 1513 CB LEU B 96 8.326 -15.890 -2.054 1.00 0.00 C ATOM 1514 CG LEU B 96 7.243 -16.334 -1.057 1.00 0.00 C ATOM 1515 CD1 LEU B 96 5.853 -16.225 -1.666 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.505 -17.759 -0.604 1.00 0.00 C ATOM 0 H LEU B 96 9.841 -14.658 -0.513 1.00 0.00 H new ATOM 0 HA LEU B 96 8.924 -14.187 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU B 96 8.050 -16.264 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.260 -16.379 -1.777 1.00 0.00 H new ATOM 0 HG LEU B 96 7.285 -15.669 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.110 -16.546 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU B 96 5.660 -15.190 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU B 96 5.792 -16.860 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU B 96 6.733 -18.064 0.102 1.00 0.00 H new ATOM 0 HD22 LEU B 96 7.490 -18.424 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU B 96 8.480 -17.814 -0.121 1.00 0.00 H new ATOM 1528 N GLN B 97 7.152 -13.159 -0.666 1.00 0.00 N ATOM 1529 CA GLN B 97 6.010 -12.346 -0.277 1.00 0.00 C ATOM 1530 C GLN B 97 6.056 -10.992 -0.974 1.00 0.00 C ATOM 1531 O GLN B 97 5.017 -10.432 -1.318 1.00 0.00 O ATOM 1532 CB GLN B 97 5.976 -12.150 1.241 1.00 0.00 C ATOM 1533 CG GLN B 97 5.862 -13.448 2.029 1.00 0.00 C ATOM 1534 CD GLN B 97 4.607 -14.239 1.703 1.00 0.00 C ATOM 1535 OE1 GLN B 97 4.594 -15.465 1.783 1.00 0.00 O ATOM 1536 NE2 GLN B 97 3.533 -13.544 1.363 1.00 0.00 N ATOM 0 H GLN B 97 7.776 -13.402 0.104 1.00 0.00 H new ATOM 0 HA GLN B 97 5.104 -12.869 -0.582 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.881 -11.627 1.550 1.00 0.00 H new ATOM 0 HB3 GLN B 97 5.134 -11.507 1.496 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.736 -14.067 1.826 1.00 0.00 H new ATOM 0 HG3 GLN B 97 5.873 -13.220 3.095 1.00 0.00 H new ATOM 0 HE21 GLN B 97 3.581 -12.527 1.307 1.00 0.00 H new ATOM 0 HE22 GLN B 97 2.658 -14.026 1.157 1.00 0.00 H new ATOM 1545 N LYS B 98 7.265 -10.475 -1.188 1.00 0.00 N ATOM 1546 CA LYS B 98 7.439 -9.222 -1.914 1.00 0.00 C ATOM 1547 C LYS B 98 6.836 -9.325 -3.307 1.00 0.00 C ATOM 1548 O LYS B 98 6.124 -8.426 -3.749 1.00 0.00 O ATOM 1549 CB LYS B 98 8.918 -8.833 -2.029 1.00 0.00 C ATOM 1550 CG LYS B 98 9.430 -7.962 -0.890 1.00 0.00 C ATOM 1551 CD LYS B 98 9.606 -8.744 0.397 1.00 0.00 C ATOM 1552 CE LYS B 98 10.095 -7.852 1.526 1.00 0.00 C ATOM 1553 NZ LYS B 98 10.463 -8.635 2.734 1.00 0.00 N1+ ATOM 0 H LYS B 98 8.134 -10.904 -0.870 1.00 0.00 H new ATOM 0 HA LYS B 98 6.923 -8.447 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.518 -9.742 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS B 98 9.070 -8.305 -2.970 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.383 -7.517 -1.176 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.733 -7.141 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.658 -9.203 0.678 1.00 0.00 H new ATOM 0 HD3 LYS B 98 10.317 -9.554 0.238 1.00 0.00 H new ATOM 0 HE2 LYS B 98 10.959 -7.280 1.188 1.00 0.00 H new ATOM 0 HE3 LYS B 98 9.317 -7.133 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 10.205 -8.099 3.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 9.954 -9.542 2.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 11.488 -8.813 2.734 1.00 0.00 H new ATOM 1567 N GLU B 99 7.104 -10.436 -3.982 1.00 0.00 N ATOM 1568 CA GLU B 99 6.615 -10.642 -5.336 1.00 0.00 C ATOM 1569 C GLU B 99 5.094 -10.654 -5.353 1.00 0.00 C ATOM 1570 O GLU B 99 4.465 -9.958 -6.149 1.00 0.00 O ATOM 1571 CB GLU B 99 7.145 -11.957 -5.900 1.00 0.00 C ATOM 1572 CG GLU B 99 6.976 -12.084 -7.403 1.00 0.00 C ATOM 1573 CD GLU B 99 7.623 -13.334 -7.955 1.00 0.00 C ATOM 1574 OE1 GLU B 99 8.823 -13.285 -8.290 1.00 0.00 O ATOM 1575 OE2 GLU B 99 6.936 -14.371 -8.063 1.00 0.00 O1- ATOM 0 H GLU B 99 7.658 -11.208 -3.612 1.00 0.00 H new ATOM 0 HA GLU B 99 6.972 -9.820 -5.957 1.00 0.00 H new ATOM 0 HB2 GLU B 99 8.202 -12.049 -5.652 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.630 -12.785 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU B 99 5.914 -12.091 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU B 99 7.409 -11.210 -7.889 1.00 0.00 H new ATOM 1582 N LEU B 100 4.508 -11.438 -4.456 1.00 0.00 N ATOM 1583 CA LEU B 100 3.057 -11.541 -4.363 1.00 0.00 C ATOM 1584 C LEU B 100 2.438 -10.192 -4.022 1.00 0.00 C ATOM 1585 O LEU B 100 1.349 -9.861 -4.491 1.00 0.00 O ATOM 1586 CB LEU B 100 2.650 -12.584 -3.317 1.00 0.00 C ATOM 1587 CG LEU B 100 2.583 -14.036 -3.807 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.520 -14.182 -4.887 1.00 0.00 C ATOM 1589 CD2 LEU B 100 3.936 -14.502 -4.322 1.00 0.00 C ATOM 0 H LEU B 100 5.016 -12.012 -3.783 1.00 0.00 H new ATOM 0 HA LEU B 100 2.684 -11.859 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.356 -12.533 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.673 -12.310 -2.920 1.00 0.00 H new ATOM 0 HG LEU B 100 2.310 -14.668 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.484 -15.218 -5.225 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.549 -13.899 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU B 100 1.765 -13.534 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU B 100 3.860 -15.534 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.247 -13.868 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.672 -14.438 -3.521 1.00 0.00 H new ATOM 1601 N ALA B 101 3.142 -9.415 -3.210 1.00 0.00 N ATOM 1602 CA ALA B 101 2.684 -8.085 -2.848 1.00 0.00 C ATOM 1603 C ALA B 101 2.673 -7.174 -4.072 1.00 0.00 C ATOM 1604 O ALA B 101 1.691 -6.478 -4.324 1.00 0.00 O ATOM 1605 CB ALA B 101 3.554 -7.506 -1.740 1.00 0.00 C ATOM 0 H ALA B 101 4.032 -9.685 -2.791 1.00 0.00 H new ATOM 0 HA ALA B 101 1.663 -8.156 -2.472 1.00 0.00 H new ATOM 0 HB1 ALA B 101 3.197 -6.509 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.502 -8.150 -0.862 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.587 -7.444 -2.083 1.00 0.00 H new ATOM 1611 N VAL B 102 3.756 -7.206 -4.850 1.00 0.00 N ATOM 1612 CA VAL B 102 3.843 -6.421 -6.082 1.00 0.00 C ATOM 1613 C VAL B 102 2.733 -6.821 -7.050 1.00 0.00 C ATOM 1614 O VAL B 102 2.162 -5.975 -7.739 1.00 0.00 O ATOM 1615 CB VAL B 102 5.208 -6.595 -6.784 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.263 -5.791 -8.072 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.347 -6.186 -5.865 1.00 0.00 C ATOM 0 H VAL B 102 4.584 -7.766 -4.649 1.00 0.00 H new ATOM 0 HA VAL B 102 3.732 -5.374 -5.798 1.00 0.00 H new ATOM 0 HB VAL B 102 5.321 -7.651 -7.029 1.00 0.00 H new ATOM 0 HG11 VAL B 102 6.234 -5.931 -8.547 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.477 -6.130 -8.747 1.00 0.00 H new ATOM 0 HG13 VAL B 102 5.117 -4.734 -7.848 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.297 -6.318 -6.382 1.00 0.00 H new ATOM 0 HG22 VAL B 102 6.229 -5.140 -5.583 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.333 -6.807 -4.969 1.00 0.00 H new ATOM 1627 N ASN B 103 2.424 -8.116 -7.079 1.00 0.00 N ATOM 1628 CA ASN B 103 1.363 -8.644 -7.938 1.00 0.00 C ATOM 1629 C ASN B 103 0.053 -7.902 -7.714 1.00 0.00 C ATOM 1630 O ASN B 103 -0.670 -7.598 -8.666 1.00 0.00 O ATOM 1631 CB ASN B 103 1.158 -10.140 -7.682 1.00 0.00 C ATOM 1632 CG ASN B 103 2.017 -11.022 -8.567 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.599 -11.429 -9.650 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.223 -11.322 -8.119 1.00 0.00 N ATOM 0 H ASN B 103 2.895 -8.823 -6.515 1.00 0.00 H new ATOM 0 HA ASN B 103 1.673 -8.496 -8.973 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.382 -10.357 -6.638 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.109 -10.389 -7.842 1.00 0.00 H new ATOM 0 HD21 ASN B 103 3.843 -11.910 -8.677 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.535 -10.966 -7.216 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.241 -7.590 -6.456 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.455 -6.868 -6.117 1.00 0.00 C ATOM 1643 C TYR B 104 -1.409 -5.452 -6.661 1.00 0.00 C ATOM 1644 O TYR B 104 -2.350 -5.003 -7.315 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.668 -6.844 -4.605 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.628 -7.901 -4.114 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.347 -9.251 -4.267 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.821 -7.542 -3.500 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -3.229 -10.216 -3.821 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.708 -8.501 -3.050 1.00 0.00 C ATOM 1651 CZ TYR B 104 -4.409 -9.835 -3.214 1.00 0.00 C ATOM 1652 OH TYR B 104 -5.295 -10.792 -2.768 1.00 0.00 O ATOM 0 H TYR B 104 0.347 -7.827 -5.657 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.294 -7.390 -6.577 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.707 -6.979 -4.109 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.042 -5.862 -4.314 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.425 -9.552 -4.742 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -4.059 -6.496 -3.372 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.997 -11.263 -3.946 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.631 -8.206 -2.572 1.00 0.00 H new ATOM 0 HH TYR B 104 -6.074 -10.354 -2.365 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.305 -4.758 -6.417 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.155 -3.391 -6.898 1.00 0.00 C ATOM 1664 C LEU B 105 -0.204 -3.342 -8.418 1.00 0.00 C ATOM 1665 O LEU B 105 -0.736 -2.400 -8.992 1.00 0.00 O ATOM 1666 CB LEU B 105 1.146 -2.747 -6.406 1.00 0.00 C ATOM 1667 CG LEU B 105 1.169 -2.305 -4.936 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.089 -1.525 -4.585 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.337 -3.495 -4.008 1.00 0.00 C ATOM 0 H LEU B 105 0.494 -5.115 -5.893 1.00 0.00 H new ATOM 0 HA LEU B 105 -0.991 -2.822 -6.491 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.960 -3.455 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.355 -1.877 -7.029 1.00 0.00 H new ATOM 0 HG LEU B 105 2.028 -1.648 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.050 -1.223 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.156 -0.639 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.964 -2.154 -4.748 1.00 0.00 H new ATOM 0 HD21 LEU B 105 1.350 -3.151 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.507 -4.187 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU B 105 2.275 -4.002 -4.233 1.00 0.00 H new ATOM 1681 N ASN B 106 0.331 -4.371 -9.065 1.00 0.00 N ATOM 1682 CA ASN B 106 0.332 -4.436 -10.525 1.00 0.00 C ATOM 1683 C ASN B 106 -1.082 -4.524 -11.075 1.00 0.00 C ATOM 1684 O ASN B 106 -1.362 -4.033 -12.167 1.00 0.00 O ATOM 1685 CB ASN B 106 1.163 -5.619 -11.031 1.00 0.00 C ATOM 1686 CG ASN B 106 2.652 -5.360 -10.937 1.00 0.00 C ATOM 1687 OD1 ASN B 106 3.097 -4.214 -10.972 1.00 0.00 O ATOM 1688 ND2 ASN B 106 3.432 -6.422 -10.835 1.00 0.00 N ATOM 0 H ASN B 106 0.768 -5.170 -8.606 1.00 0.00 H new ATOM 0 HA ASN B 106 0.788 -3.514 -10.885 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.914 -6.508 -10.452 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.898 -5.829 -12.067 1.00 0.00 H new ATOM 0 HD21 ASN B 106 4.444 -6.308 -10.782 1.00 0.00 H new ATOM 0 HD22 ASN B 106 3.022 -7.356 -10.809 1.00 0.00 H new ATOM 1695 N THR B 107 -1.981 -5.148 -10.325 1.00 0.00 N ATOM 1696 CA THR B 107 -3.370 -5.240 -10.745 1.00 0.00 C ATOM 1697 C THR B 107 -4.134 -3.975 -10.359 1.00 0.00 C ATOM 1698 O THR B 107 -5.276 -3.774 -10.775 1.00 0.00 O ATOM 1699 CB THR B 107 -4.075 -6.477 -10.147 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.099 -6.407 -8.712 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.377 -7.758 -10.579 1.00 0.00 C ATOM 0 H THR B 107 -1.775 -5.594 -9.431 1.00 0.00 H new ATOM 0 HA THR B 107 -3.368 -5.346 -11.830 1.00 0.00 H new ATOM 0 HB THR B 107 -5.099 -6.486 -10.520 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.600 -5.618 -8.415 1.00 0.00 H new ATOM 0 HG21 THR B 107 -3.891 -8.616 -10.146 1.00 0.00 H new ATOM 0 HG22 THR B 107 -3.396 -7.834 -11.666 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.343 -7.743 -10.235 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.485 -3.122 -9.570 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.097 -1.880 -9.119 1.00 0.00 C ATOM 1711 C LEU B 108 -3.515 -0.690 -9.871 1.00 0.00 C ATOM 1712 O LEU B 108 -3.881 0.457 -9.618 1.00 0.00 O ATOM 1713 CB LEU B 108 -3.892 -1.689 -7.615 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.417 -2.818 -6.726 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -4.119 -2.526 -5.264 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -5.912 -3.020 -6.935 1.00 0.00 C ATOM 0 H LEU B 108 -2.535 -3.271 -9.231 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.166 -1.941 -9.324 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.826 -1.567 -7.425 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.377 -0.760 -7.316 1.00 0.00 H new ATOM 0 HG LEU B 108 -3.906 -3.739 -7.007 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.499 -3.339 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -3.042 -2.436 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.602 -1.593 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.263 -3.828 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.442 -2.101 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -6.102 -3.276 -7.977 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.605 -0.975 -10.793 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.003 0.059 -11.621 1.00 0.00 C ATOM 1730 C ARG B 109 -2.969 0.478 -12.717 1.00 0.00 C ATOM 1731 O ARG B 109 -4.034 -0.123 -12.878 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.707 -0.443 -12.259 1.00 0.00 C ATOM 1733 CG ARG B 109 0.395 -0.777 -11.270 1.00 0.00 C ATOM 1734 CD ARG B 109 0.799 0.429 -10.443 1.00 0.00 C ATOM 1735 NE ARG B 109 2.035 0.182 -9.705 1.00 0.00 N ATOM 1736 CZ ARG B 109 3.007 1.082 -9.569 1.00 0.00 C ATOM 1737 NH1 ARG B 109 2.836 2.327 -10.003 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 4.144 0.748 -8.967 1.00 0.00 N ATOM 0 H ARG B 109 -2.267 -1.918 -10.986 1.00 0.00 H new ATOM 0 HA ARG B 109 -1.777 0.914 -10.983 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.929 -1.332 -12.850 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.340 0.316 -12.950 1.00 0.00 H new ATOM 0 HG2 ARG B 109 0.059 -1.575 -10.608 1.00 0.00 H new ATOM 0 HG3 ARG B 109 1.264 -1.155 -11.809 1.00 0.00 H new ATOM 0 HD2 ARG B 109 0.930 1.292 -11.096 1.00 0.00 H new ATOM 0 HD3 ARG B 109 -0.000 0.677 -9.744 1.00 0.00 H new ATOM 0 HE ARG B 109 2.161 -0.732 -9.269 1.00 0.00 H new ATOM 0 HH11 ARG B 109 1.956 2.597 -10.443 1.00 0.00 H new ATOM 0 HH12 ARG B 109 3.584 3.012 -9.896 1.00 0.00 H new ATOM 0 HH21 ARG B 109 4.273 -0.198 -8.609 1.00 0.00 H new ATOM 0 HH22 ARG B 109 4.888 1.438 -8.863 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.600 1.504 -13.468 1.00 0.00 N ATOM 1753 CA TYR B 110 -3.386 1.920 -14.616 1.00 0.00 C ATOM 1754 C TYR B 110 -3.512 0.759 -15.598 1.00 0.00 C ATOM 1755 O TYR B 110 -2.509 0.191 -16.037 1.00 0.00 O ATOM 1756 CB TYR B 110 -2.748 3.131 -15.303 1.00 0.00 C ATOM 1757 CG TYR B 110 -3.567 3.666 -16.456 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -4.589 4.580 -16.239 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -3.331 3.244 -17.759 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -5.353 5.059 -17.286 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -4.091 3.714 -18.810 1.00 0.00 C ATOM 1762 CZ TYR B 110 -5.100 4.621 -18.569 1.00 0.00 C ATOM 1763 OH TYR B 110 -5.868 5.082 -19.613 1.00 0.00 O ATOM 0 H TYR B 110 -1.763 2.062 -13.303 1.00 0.00 H new ATOM 0 HA TYR B 110 -4.379 2.211 -14.274 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -2.607 3.924 -14.568 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -1.759 2.854 -15.667 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -4.790 4.923 -15.235 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -2.539 2.536 -17.952 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -6.143 5.772 -17.101 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -3.896 3.373 -19.816 1.00 0.00 H new ATOM 0 HH TYR B 110 -5.559 4.677 -20.450 1.00 0.00 H new ATOM 1773 N GLY B 111 -4.744 0.400 -15.925 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.971 -0.717 -16.814 1.00 0.00 C ATOM 1775 C GLY B 111 -5.029 -2.042 -16.078 1.00 0.00 C ATOM 1776 O GLY B 111 -4.678 -3.082 -16.633 1.00 0.00 O ATOM 0 H GLY B 111 -5.589 0.862 -15.590 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -5.905 -0.564 -17.354 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -4.175 -0.753 -17.558 1.00 0.00 H new ATOM 1780 N GLY B 112 -5.462 -2.007 -14.822 1.00 0.00 N ATOM 1781 CA GLY B 112 -5.587 -3.225 -14.050 1.00 0.00 C ATOM 1782 C GLY B 112 -6.961 -3.845 -14.184 1.00 0.00 C ATOM 1783 O GLY B 112 -7.646 -3.647 -15.189 1.00 0.00 O ATOM 0 H GLY B 112 -5.728 -1.156 -14.327 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -4.833 -3.941 -14.378 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -5.387 -3.010 -13.000 1.00 0.00 H new ATOM 1787 N ILE B 113 -7.373 -4.585 -13.168 1.00 0.00 N ATOM 1788 CA ILE B 113 -8.663 -5.268 -13.202 1.00 0.00 C ATOM 1789 C ILE B 113 -9.607 -4.728 -12.132 1.00 0.00 C ATOM 1790 O ILE B 113 -10.764 -4.427 -12.414 1.00 0.00 O ATOM 1791 CB ILE B 113 -8.514 -6.798 -13.058 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -7.581 -7.154 -11.895 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -8.007 -7.399 -14.359 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -7.393 -8.642 -11.695 1.00 0.00 C ATOM 0 H ILE B 113 -6.838 -4.730 -12.312 1.00 0.00 H new ATOM 0 HA ILE B 113 -9.096 -5.065 -14.182 1.00 0.00 H new ATOM 0 HB ILE B 113 -9.495 -7.219 -12.837 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -6.608 -6.695 -12.069 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -7.979 -6.721 -10.977 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -7.906 -8.478 -14.246 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -8.714 -7.183 -15.160 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -7.037 -6.967 -14.606 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -6.720 -8.814 -10.855 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -8.357 -9.106 -11.489 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -6.965 -9.079 -12.597 1.00 0.00 H new ATOM 1806 N HIS B 114 -9.117 -4.613 -10.907 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.887 -3.998 -9.832 1.00 0.00 C ATOM 1808 C HIS B 114 -9.122 -2.792 -9.327 1.00 0.00 C ATOM 1809 O HIS B 114 -9.060 -2.527 -8.126 1.00 0.00 O ATOM 1810 CB HIS B 114 -10.131 -4.986 -8.684 1.00 0.00 C ATOM 1811 CG HIS B 114 -10.745 -6.279 -9.117 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -10.271 -7.510 -8.714 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -11.799 -6.531 -9.927 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -11.003 -8.459 -9.261 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -11.936 -7.892 -9.999 1.00 0.00 N ATOM 0 H HIS B 114 -8.190 -4.937 -10.631 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.862 -3.697 -10.216 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -9.183 -5.193 -8.189 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.780 -4.516 -7.945 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.416 -5.797 -10.424 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -10.862 -9.521 -9.127 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -12.647 -8.387 -10.538 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.532 -2.071 -10.269 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.614 -1.000 -9.943 1.00 0.00 C ATOM 1826 C TYR B 115 -8.363 0.247 -9.509 1.00 0.00 C ATOM 1827 O TYR B 115 -9.499 0.490 -9.923 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.697 -0.695 -11.136 1.00 0.00 C ATOM 1829 CG TYR B 115 -7.191 0.399 -12.055 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -8.136 0.144 -13.037 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -6.698 1.693 -11.936 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -8.579 1.149 -13.874 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -7.136 2.702 -12.767 1.00 0.00 C ATOM 1834 CZ TYR B 115 -8.076 2.428 -13.735 1.00 0.00 C ATOM 1835 OH TYR B 115 -8.510 3.433 -14.571 1.00 0.00 O ATOM 0 H TYR B 115 -8.676 -2.213 -11.269 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.995 -1.327 -9.107 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.714 -0.415 -10.758 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.567 -1.607 -11.718 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -8.531 -0.855 -13.149 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -5.959 1.912 -11.179 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -9.316 0.936 -14.634 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -6.744 3.702 -12.659 1.00 0.00 H new ATOM 0 HH TYR B 115 -8.058 4.271 -14.338 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.720 1.024 -8.663 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.273 2.281 -8.206 1.00 0.00 C ATOM 1847 C ASN B 116 -7.359 3.405 -8.652 1.00 0.00 C ATOM 1848 O ASN B 116 -6.135 3.298 -8.550 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.399 2.298 -6.680 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.227 1.154 -6.122 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -10.202 0.685 -6.887 1.00 0.00 O flip ATOM 1852 ND2 ASN B 116 -8.988 0.697 -5.005 1.00 0.00 N flip ATOM 0 H ASN B 116 -6.803 0.803 -8.274 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.268 2.409 -8.632 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.402 2.260 -6.242 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.847 3.243 -6.372 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -8.228 1.086 -4.447 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -9.550 -0.071 -4.637 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.963 4.476 -9.148 1.00 0.00 N ATOM 1860 CA GLU B 117 -7.223 5.631 -9.647 1.00 0.00 C ATOM 1861 C GLU B 117 -6.307 6.201 -8.571 1.00 0.00 C ATOM 1862 O GLU B 117 -5.263 6.773 -8.874 1.00 0.00 O ATOM 1863 CB GLU B 117 -8.196 6.712 -10.127 1.00 0.00 C ATOM 1864 CG GLU B 117 -9.157 7.181 -9.047 1.00 0.00 C ATOM 1865 CD GLU B 117 -10.058 8.305 -9.506 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -11.138 8.019 -10.063 1.00 0.00 O ATOM 1867 OE2 GLU B 117 -9.697 9.481 -9.300 1.00 0.00 O1- ATOM 0 H GLU B 117 -8.976 4.571 -9.217 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.607 5.302 -10.484 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -7.627 7.567 -10.493 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -8.769 6.326 -10.970 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.770 6.340 -8.724 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.586 7.511 -8.179 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.697 6.024 -7.316 1.00 0.00 N ATOM 1875 CA ALA B 118 -5.952 6.576 -6.198 1.00 0.00 C ATOM 1876 C ALA B 118 -4.777 5.684 -5.815 1.00 0.00 C ATOM 1877 O ALA B 118 -3.817 6.150 -5.213 1.00 0.00 O ATOM 1878 CB ALA B 118 -6.870 6.780 -5.010 1.00 0.00 C ATOM 0 H ALA B 118 -7.530 5.499 -7.048 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.548 7.540 -6.506 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.301 7.194 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.669 7.469 -5.282 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.301 5.823 -4.715 1.00 0.00 H new ATOM 1884 N ILE B 119 -4.849 4.406 -6.170 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.756 3.484 -5.881 1.00 0.00 C ATOM 1886 C ILE B 119 -2.571 3.791 -6.783 1.00 0.00 C ATOM 1887 O ILE B 119 -1.420 3.790 -6.341 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.170 2.006 -6.060 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.279 1.636 -5.071 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -2.961 1.095 -5.876 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -4.814 1.521 -3.637 1.00 0.00 C ATOM 0 H ILE B 119 -5.644 3.988 -6.653 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.482 3.625 -4.836 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.555 1.871 -7.071 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.067 2.387 -5.127 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.721 0.687 -5.376 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.265 0.056 -6.004 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.201 1.345 -6.617 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.551 1.232 -4.875 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.659 1.256 -3.001 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -4.048 0.749 -3.564 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.399 2.475 -3.311 1.00 0.00 H new ATOM 1903 N GLU B 120 -2.860 4.069 -8.048 1.00 0.00 N ATOM 1904 CA GLU B 120 -1.822 4.472 -8.983 1.00 0.00 C ATOM 1905 C GLU B 120 -1.221 5.797 -8.526 1.00 0.00 C ATOM 1906 O GLU B 120 -0.005 5.956 -8.495 1.00 0.00 O ATOM 1907 CB GLU B 120 -2.385 4.597 -10.403 1.00 0.00 C ATOM 1908 CG GLU B 120 -1.332 4.908 -11.461 1.00 0.00 C ATOM 1909 CD GLU B 120 -0.304 3.800 -11.621 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -0.527 2.892 -12.445 1.00 0.00 O1- ATOM 1911 OE2 GLU B 120 0.740 3.841 -10.934 1.00 0.00 O ATOM 0 H GLU B 120 -3.798 4.023 -8.446 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.044 3.709 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -2.887 3.666 -10.667 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.141 5.382 -10.416 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -1.826 5.079 -12.418 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -0.822 5.834 -11.196 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.087 6.732 -8.129 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.636 8.015 -7.604 1.00 0.00 C ATOM 1920 C GLU B 121 -0.767 7.807 -6.372 1.00 0.00 C ATOM 1921 O GLU B 121 0.277 8.436 -6.230 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.824 8.914 -7.249 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.623 9.386 -8.451 1.00 0.00 C ATOM 1924 CD GLU B 121 -2.769 10.115 -9.466 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -1.980 10.992 -9.065 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -2.878 9.807 -10.673 1.00 0.00 O ATOM 0 H GLU B 121 -3.100 6.622 -8.162 1.00 0.00 H new ATOM 0 HA GLU B 121 -1.050 8.505 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.487 8.372 -6.575 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.458 9.784 -6.705 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -4.096 8.528 -8.928 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -4.424 10.045 -8.115 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.205 6.907 -5.496 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.458 6.560 -4.291 1.00 0.00 C ATOM 1935 C PHE B 122 0.962 6.163 -4.656 1.00 0.00 C ATOM 1936 O PHE B 122 1.927 6.720 -4.141 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.154 5.406 -3.564 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.540 5.045 -2.238 1.00 0.00 C ATOM 1939 CD1 PHE B 122 0.477 4.106 -2.163 1.00 0.00 C ATOM 1940 CD2 PHE B 122 -0.982 5.643 -1.069 1.00 0.00 C ATOM 1941 CE1 PHE B 122 1.040 3.770 -0.949 1.00 0.00 C ATOM 1942 CE2 PHE B 122 -0.422 5.310 0.149 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.591 4.372 0.210 1.00 0.00 C ATOM 0 H PHE B 122 -2.084 6.400 -5.601 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.423 7.427 -3.632 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.200 5.670 -3.406 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.141 4.527 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE B 122 0.833 3.632 -3.066 1.00 0.00 H new ATOM 0 HD2 PHE B 122 -1.773 6.377 -1.111 1.00 0.00 H new ATOM 0 HE1 PHE B 122 1.832 3.037 -0.905 1.00 0.00 H new ATOM 0 HE2 PHE B 122 -0.776 5.783 1.053 1.00 0.00 H new ATOM 0 HZ PHE B 122 1.030 4.110 1.161 1.00 0.00 H new ATOM 1953 N CYS B 123 1.068 5.207 -5.566 1.00 0.00 N ATOM 1954 CA CYS B 123 2.357 4.731 -6.031 1.00 0.00 C ATOM 1955 C CYS B 123 3.169 5.868 -6.644 1.00 0.00 C ATOM 1956 O CYS B 123 4.332 6.060 -6.301 1.00 0.00 O ATOM 1957 CB CYS B 123 2.158 3.614 -7.055 1.00 0.00 C ATOM 1958 SG CYS B 123 1.142 2.240 -6.459 1.00 0.00 S ATOM 0 H CYS B 123 0.269 4.744 -5.999 1.00 0.00 H new ATOM 0 HA CYS B 123 2.910 4.341 -5.177 1.00 0.00 H new ATOM 0 HB2 CYS B 123 1.696 4.033 -7.949 1.00 0.00 H new ATOM 0 HB3 CYS B 123 3.134 3.229 -7.351 1.00 0.00 H new ATOM 0 HG CYS B 123 -0.041 2.679 -6.145 1.00 0.00 H new ATOM 1964 N GLN B 124 2.534 6.640 -7.520 1.00 0.00 N ATOM 1965 CA GLN B 124 3.223 7.699 -8.258 1.00 0.00 C ATOM 1966 C GLN B 124 3.736 8.796 -7.332 1.00 0.00 C ATOM 1967 O GLN B 124 4.905 9.173 -7.399 1.00 0.00 O ATOM 1968 CB GLN B 124 2.302 8.304 -9.319 1.00 0.00 C ATOM 1969 CG GLN B 124 1.871 7.308 -10.380 1.00 0.00 C ATOM 1970 CD GLN B 124 3.047 6.658 -11.078 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.100 7.274 -11.257 1.00 0.00 O ATOM 1972 NE2 GLN B 124 2.887 5.401 -11.456 1.00 0.00 N ATOM 0 H GLN B 124 1.541 6.554 -7.738 1.00 0.00 H new ATOM 0 HA GLN B 124 4.083 7.242 -8.747 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.416 8.711 -8.831 1.00 0.00 H new ATOM 0 HB3 GLN B 124 2.813 9.138 -9.800 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.254 6.536 -9.920 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.249 7.815 -11.118 1.00 0.00 H new ATOM 0 HE21 GLN B 124 1.999 4.927 -11.289 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.651 4.905 -11.914 1.00 0.00 H new ATOM 1981 N ILE B 125 2.858 9.298 -6.473 1.00 0.00 N ATOM 1982 CA ILE B 125 3.211 10.355 -5.534 1.00 0.00 C ATOM 1983 C ILE B 125 4.293 9.877 -4.572 1.00 0.00 C ATOM 1984 O ILE B 125 5.255 10.593 -4.286 1.00 0.00 O ATOM 1985 CB ILE B 125 1.969 10.817 -4.734 1.00 0.00 C ATOM 1986 CG1 ILE B 125 0.922 11.407 -5.682 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.355 11.834 -3.667 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.442 11.575 -5.051 1.00 0.00 C ATOM 0 H ILE B 125 1.889 8.987 -6.407 1.00 0.00 H new ATOM 0 HA ILE B 125 3.593 11.199 -6.108 1.00 0.00 H new ATOM 0 HB ILE B 125 1.541 9.949 -4.232 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.271 12.377 -6.036 1.00 0.00 H new ATOM 0 HG13 ILE B 125 0.831 10.762 -6.556 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.465 12.142 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.068 11.384 -2.976 1.00 0.00 H new ATOM 0 HG23 ILE B 125 2.809 12.704 -4.141 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -1.131 11.998 -5.782 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.813 10.604 -4.722 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.366 12.244 -4.194 1.00 0.00 H new ATOM 2000 N LEU B 126 4.140 8.651 -4.100 1.00 0.00 N ATOM 2001 CA LEU B 126 5.064 8.083 -3.137 1.00 0.00 C ATOM 2002 C LEU B 126 6.433 7.815 -3.758 1.00 0.00 C ATOM 2003 O LEU B 126 7.457 8.252 -3.229 1.00 0.00 O ATOM 2004 CB LEU B 126 4.496 6.788 -2.568 1.00 0.00 C ATOM 2005 CG LEU B 126 5.365 6.119 -1.512 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.593 7.059 -0.344 1.00 0.00 C ATOM 2007 CD2 LEU B 126 4.728 4.821 -1.056 1.00 0.00 C ATOM 0 H LEU B 126 3.379 8.028 -4.371 1.00 0.00 H new ATOM 0 HA LEU B 126 5.194 8.811 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.518 6.996 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.339 6.086 -3.387 1.00 0.00 H new ATOM 0 HG LEU B 126 6.336 5.884 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU B 126 6.216 6.567 0.403 1.00 0.00 H new ATOM 0 HD12 LEU B 126 6.093 7.962 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.634 7.325 0.101 1.00 0.00 H new ATOM 0 HD21 LEU B 126 5.359 4.352 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU B 126 3.746 5.027 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU B 126 4.621 4.149 -1.908 1.00 0.00 H new ATOM 2019 N LEU B 127 6.451 7.113 -4.890 1.00 0.00 N ATOM 2020 CA LEU B 127 7.708 6.683 -5.497 1.00 0.00 C ATOM 2021 C LEU B 127 8.511 7.893 -5.945 1.00 0.00 C ATOM 2022 O LEU B 127 9.742 7.849 -6.002 1.00 0.00 O ATOM 2023 CB LEU B 127 7.457 5.731 -6.683 1.00 0.00 C ATOM 2024 CG LEU B 127 7.069 6.389 -8.018 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.310 6.734 -8.837 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.147 5.480 -8.812 1.00 0.00 C ATOM 0 H LEU B 127 5.615 6.832 -5.402 1.00 0.00 H new ATOM 0 HA LEU B 127 8.280 6.136 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.358 5.140 -6.843 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.666 5.036 -6.402 1.00 0.00 H new ATOM 0 HG LEU B 127 6.539 7.315 -7.797 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.009 7.198 -9.776 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.936 7.427 -8.275 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.873 5.824 -9.046 1.00 0.00 H new ATOM 0 HD21 LEU B 127 5.883 5.962 -9.753 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.654 4.537 -9.017 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.242 5.288 -8.236 1.00 0.00 H new ATOM 2038 N ASP B 128 7.799 8.969 -6.255 1.00 0.00 N ATOM 2039 CA ASP B 128 8.422 10.206 -6.697 1.00 0.00 C ATOM 2040 C ASP B 128 9.342 10.736 -5.617 1.00 0.00 C ATOM 2041 O ASP B 128 10.476 11.121 -5.881 1.00 0.00 O ATOM 2042 CB ASP B 128 7.350 11.247 -7.013 1.00 0.00 C ATOM 2043 CG ASP B 128 7.920 12.499 -7.654 1.00 0.00 C ATOM 2044 OD1 ASP B 128 8.251 12.463 -8.857 1.00 0.00 O ATOM 2045 OD2 ASP B 128 8.029 13.534 -6.961 1.00 0.00 O1- ATOM 0 H ASP B 128 6.781 9.007 -6.207 1.00 0.00 H new ATOM 0 HA ASP B 128 9.003 10.005 -7.597 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.608 10.808 -7.680 1.00 0.00 H new ATOM 0 HB3 ASP B 128 6.831 11.519 -6.094 1.00 0.00 H new ATOM 2050 N LYS B 129 8.846 10.714 -4.392 1.00 0.00 N ATOM 2051 CA LYS B 129 9.597 11.225 -3.259 1.00 0.00 C ATOM 2052 C LYS B 129 10.583 10.177 -2.750 1.00 0.00 C ATOM 2053 O LYS B 129 11.633 10.515 -2.204 1.00 0.00 O ATOM 2054 CB LYS B 129 8.648 11.650 -2.137 1.00 0.00 C ATOM 2055 CG LYS B 129 7.458 12.470 -2.618 1.00 0.00 C ATOM 2056 CD LYS B 129 7.887 13.608 -3.528 1.00 0.00 C ATOM 2057 CE LYS B 129 6.690 14.347 -4.096 1.00 0.00 C ATOM 2058 NZ LYS B 129 7.085 15.302 -5.162 1.00 0.00 N1+ ATOM 0 H LYS B 129 7.924 10.347 -4.156 1.00 0.00 H new ATOM 0 HA LYS B 129 10.161 12.098 -3.588 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.281 10.759 -1.627 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.205 12.232 -1.403 1.00 0.00 H new ATOM 0 HG2 LYS B 129 6.762 11.822 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS B 129 6.924 12.874 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS B 129 8.515 14.304 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS B 129 8.493 13.214 -4.344 1.00 0.00 H new ATOM 0 HE2 LYS B 129 5.977 13.628 -4.499 1.00 0.00 H new ATOM 0 HE3 LYS B 129 6.182 14.886 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 6.314 15.981 -5.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 7.942 15.814 -4.870 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 7.276 14.781 -6.042 1.00 0.00 H new ATOM 2072 N LEU B 130 10.248 8.904 -2.944 1.00 0.00 N ATOM 2073 CA LEU B 130 11.143 7.813 -2.564 1.00 0.00 C ATOM 2074 C LEU B 130 12.402 7.831 -3.420 1.00 0.00 C ATOM 2075 O LEU B 130 13.502 7.587 -2.930 1.00 0.00 O ATOM 2076 CB LEU B 130 10.443 6.459 -2.688 1.00 0.00 C ATOM 2077 CG LEU B 130 9.401 6.165 -1.606 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.675 4.867 -1.906 1.00 0.00 C ATOM 2079 CD2 LEU B 130 10.058 6.090 -0.236 1.00 0.00 C ATOM 0 H LEU B 130 9.367 8.603 -3.360 1.00 0.00 H new ATOM 0 HA LEU B 130 11.424 7.960 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.957 6.407 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.198 5.674 -2.666 1.00 0.00 H new ATOM 0 HG LEU B 130 8.676 6.979 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU B 130 7.938 4.674 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU B 130 8.172 4.946 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.393 4.047 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.301 5.880 0.520 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.804 5.295 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.541 7.041 -0.012 1.00 0.00 H new ATOM 2091 N ASN B 131 12.241 8.141 -4.700 1.00 0.00 N ATOM 2092 CA ASN B 131 13.380 8.237 -5.604 1.00 0.00 C ATOM 2093 C ASN B 131 14.053 9.594 -5.478 1.00 0.00 C ATOM 2094 O ASN B 131 15.184 9.782 -5.920 1.00 0.00 O ATOM 2095 CB ASN B 131 12.958 7.991 -7.055 1.00 0.00 C ATOM 2096 CG ASN B 131 12.817 6.515 -7.375 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.785 5.861 -7.764 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.616 5.981 -7.218 1.00 0.00 N ATOM 0 H ASN B 131 11.337 8.329 -5.134 1.00 0.00 H new ATOM 0 HA ASN B 131 14.093 7.463 -5.320 1.00 0.00 H new ATOM 0 HB2 ASN B 131 12.009 8.493 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.694 8.436 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN B 131 11.467 4.993 -7.422 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.840 6.558 -6.893 1.00 0.00 H new ATOM 2105 N ALA B 132 13.363 10.528 -4.841 1.00 0.00 N ATOM 2106 CA ALA B 132 13.876 11.882 -4.691 1.00 0.00 C ATOM 2107 C ALA B 132 14.770 12.013 -3.465 1.00 0.00 C ATOM 2108 O ALA B 132 15.312 13.081 -3.191 1.00 0.00 O ATOM 2109 CB ALA B 132 12.731 12.878 -4.619 1.00 0.00 C ATOM 0 H ALA B 132 12.447 10.374 -4.420 1.00 0.00 H new ATOM 0 HA ALA B 132 14.484 12.103 -5.568 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.132 13.885 -4.507 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.142 12.822 -5.534 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.097 12.642 -3.764 1.00 0.00 H new ATOM 2115 N VAL B 133 14.931 10.924 -2.737 1.00 0.00 N ATOM 2116 CA VAL B 133 15.776 10.927 -1.551 1.00 0.00 C ATOM 2117 C VAL B 133 16.961 9.976 -1.724 1.00 0.00 C ATOM 2118 O VAL B 133 18.046 10.211 -1.190 1.00 0.00 O ATOM 2119 CB VAL B 133 14.964 10.565 -0.283 1.00 0.00 C ATOM 2120 CG1 VAL B 133 14.300 9.208 -0.428 1.00 0.00 C ATOM 2121 CG2 VAL B 133 15.844 10.604 0.960 1.00 0.00 C ATOM 0 H VAL B 133 14.491 10.027 -2.943 1.00 0.00 H new ATOM 0 HA VAL B 133 16.164 11.937 -1.423 1.00 0.00 H new ATOM 0 HB VAL B 133 14.180 11.314 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL B 133 13.737 8.980 0.477 1.00 0.00 H new ATOM 0 HG12 VAL B 133 13.623 9.224 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL B 133 15.062 8.445 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL B 133 15.248 10.346 1.836 1.00 0.00 H new ATOM 0 HG22 VAL B 133 16.659 9.888 0.851 1.00 0.00 H new ATOM 0 HG23 VAL B 133 16.255 11.606 1.083 1.00 0.00 H new ATOM 2131 N LYS B 134 16.763 8.919 -2.501 1.00 0.00 N ATOM 2132 CA LYS B 134 17.814 7.938 -2.728 1.00 0.00 C ATOM 2133 C LYS B 134 18.716 8.345 -3.891 1.00 0.00 C ATOM 2134 O LYS B 134 18.498 7.961 -5.042 1.00 0.00 O ATOM 2135 CB LYS B 134 17.218 6.558 -2.959 1.00 0.00 C ATOM 2136 CG LYS B 134 16.187 6.505 -4.062 1.00 0.00 C ATOM 2137 CD LYS B 134 15.551 5.141 -4.122 1.00 0.00 C ATOM 2138 CE LYS B 134 16.531 4.077 -4.590 1.00 0.00 C ATOM 2139 NZ LYS B 134 15.890 2.742 -4.691 1.00 0.00 N1+ ATOM 0 H LYS B 134 15.886 8.720 -2.983 1.00 0.00 H new ATOM 0 HA LYS B 134 18.433 7.899 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS B 134 18.023 5.862 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS B 134 16.760 6.213 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS B 134 15.422 7.262 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS B 134 16.656 6.737 -5.018 1.00 0.00 H new ATOM 0 HD2 LYS B 134 15.170 4.875 -3.136 1.00 0.00 H new ATOM 0 HD3 LYS B 134 14.696 5.169 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS B 134 16.937 4.359 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS B 134 17.370 4.026 -3.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 134 16.505 2.028 -4.252 1.00 0.00 H new ATOM 0 HZ2 LYS B 134 14.973 2.759 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 134 15.742 2.503 -5.692 1.00 0.00 H new ATOM 2153 N LYS B 135 19.718 9.151 -3.589 1.00 0.00 N ATOM 2154 CA LYS B 135 20.680 9.570 -4.591 1.00 0.00 C ATOM 2155 C LYS B 135 21.884 8.638 -4.572 1.00 0.00 C ATOM 2156 O LYS B 135 22.806 8.877 -3.763 1.00 0.00 O ATOM 2157 CB LYS B 135 21.124 11.015 -4.343 1.00 0.00 C ATOM 2158 CG LYS B 135 19.977 11.993 -4.178 1.00 0.00 C ATOM 2159 CD LYS B 135 18.936 11.803 -5.261 1.00 0.00 C ATOM 2160 CE LYS B 135 17.869 12.878 -5.203 1.00 0.00 C ATOM 2161 NZ LYS B 135 18.424 14.233 -5.463 1.00 0.00 N1+ ATOM 2162 OXT LYS B 135 21.891 7.655 -5.341 1.00 0.00 O ATOM 0 H LYS B 135 19.886 9.529 -2.657 1.00 0.00 H new ATOM 0 HA LYS B 135 20.207 9.522 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS B 135 21.745 11.045 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS B 135 21.748 11.340 -5.175 1.00 0.00 H new ATOM 0 HG2 LYS B 135 19.517 11.856 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS B 135 20.358 13.014 -4.211 1.00 0.00 H new ATOM 0 HD2 LYS B 135 19.419 11.821 -6.238 1.00 0.00 H new ATOM 0 HD3 LYS B 135 18.472 10.823 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS B 135 17.093 12.658 -5.936 1.00 0.00 H new ATOM 0 HE3 LYS B 135 17.394 12.864 -4.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 135 17.652 14.882 -5.715 1.00 0.00 H new ATOM 0 HZ2 LYS B 135 18.904 14.581 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 135 19.105 14.184 -6.247 1.00 0.00 H new TER 2176 LYS B 135