USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 895 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 GLN : amide:sc= 0.0928 X(o=0.7,f=0.62) USER MOD Set 1.2: A 100 THR OG1 : rot 67:sc= 0.612 USER MOD Set 2.1: A 85 MET CE :methyl -177:sc= -0.932 (180deg=-0.749) USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= -0.0757 USER MOD Set 3.1: A 72 ASN : amide:sc= -0.978 K(o=-0.51,f=-8.3!) USER MOD Set 3.2: A 74 GLN : amide:sc= 0.47 K(o=-0.51,f=-5.8!) USER MOD Set 4.1: A 66 THR OG1 : rot -44:sc= 1.2 USER MOD Set 4.2: A 68 MET CE :methyl -135:sc= 0 (180deg=-0.183) USER MOD Set 5.1: A 65 MET CE :methyl 179:sc= -1.44 (180deg=-1.47) USER MOD Set 5.2: A 83 SER OG : rot 154:sc= -0.0281 USER MOD Set 6.1: A 45 ASN : amide:sc= 1.72 K(o=2.2,f=-3.6!) USER MOD Set 6.2: A 76 ASN : amide:sc= 0.446 K(o=2.2,f=-4.4) USER MOD Set 7.1: A 43 MET CE :methyl 179:sc= 0 (180deg=-0.00114) USER MOD Set 7.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 8.1: A 3 THR OG1 : rot 180:sc= 0 USER MOD Set 8.2: A 6 GLN :FLIP amide:sc= -0.752 F(o=-1.9,f=-0.75) USER MOD Single : A 1 MET CE :methyl -164:sc=-0.00505 (180deg=-0.272) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0254 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.42 K(o=-0.42,f=-3!) USER MOD Single : A 9 HIS : no HD1:sc= -0.0338 X(o=-0.034,f=-0.034) USER MOD Single : A 10 HIS : no HE2:sc= 0.435 K(o=0.43,f=-1.8!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0751 USER MOD Single : A 18 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -150:sc= -0.0383 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= 1.25 (180deg=1.13) USER MOD Single : A 37 MET CE :methyl -148:sc= -0.17 (180deg=-1.08) USER MOD Single : A 38 MET CE :methyl 163:sc=-0.00647 (180deg=-0.182) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 54:sc= 0.00412 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 162:sc= -0.196 (180deg=-0.657) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.298 X(o=0.3,f=-0.0069) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00535 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -172:sc= -0.713 (180deg=-0.873) USER MOD Single : A 80 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00508 USER MOD Single : A 87 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00538) USER MOD Single : A 91 GLN : amide:sc= -0.0999 K(o=-0.1,f=-1) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0999 USER MOD Single : A 97 ASN : amide:sc=-0.00651 X(o=-0.0065,f=-0.4) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.984 F(o=-2.3,f=-0.98) USER MOD Single : A 107 THR OG1 : rot 41:sc= 1.23 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 MET CE :methyl -169:sc= 0 (180deg=-0.0645) USER MOD Single : A 117 ASN : amide:sc=-0.00477 K(o=-0.0048,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.857 1.821 -7.137 1.00 0.00 N ATOM 2 CA MET A 1 17.093 0.644 -6.756 1.00 0.00 C ATOM 3 C MET A 1 16.320 0.932 -5.478 1.00 0.00 C ATOM 4 O MET A 1 16.843 1.556 -4.551 1.00 0.00 O ATOM 5 CB MET A 1 18.051 -0.534 -6.541 1.00 0.00 C ATOM 6 CG MET A 1 17.348 -1.887 -6.345 1.00 0.00 C ATOM 7 SD MET A 1 18.456 -3.259 -6.769 1.00 0.00 S ATOM 8 CE MET A 1 17.279 -4.590 -7.103 1.00 0.00 C ATOM 0 H1 MET A 1 18.816 1.535 -7.422 1.00 0.00 H new ATOM 0 H2 MET A 1 17.387 2.298 -7.933 1.00 0.00 H new ATOM 0 H3 MET A 1 17.916 2.473 -6.329 1.00 0.00 H new ATOM 0 HA MET A 1 16.387 0.390 -7.546 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.720 -0.605 -7.398 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.671 -0.329 -5.668 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.021 -1.985 -5.310 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.454 -1.930 -6.967 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.800 -5.547 -7.096 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.505 -4.592 -6.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.821 -4.434 -8.080 1.00 0.00 H new ATOM 18 N VAL A 2 15.090 0.425 -5.412 1.00 0.00 N ATOM 19 CA VAL A 2 14.311 0.511 -4.192 1.00 0.00 C ATOM 20 C VAL A 2 15.075 -0.204 -3.082 1.00 0.00 C ATOM 21 O VAL A 2 15.590 -1.304 -3.299 1.00 0.00 O ATOM 22 CB VAL A 2 12.901 -0.055 -4.422 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.087 -0.150 -3.124 1.00 0.00 C ATOM 24 CG2 VAL A 2 12.160 0.890 -5.368 1.00 0.00 C ATOM 0 H VAL A 2 14.620 -0.045 -6.186 1.00 0.00 H new ATOM 0 HA VAL A 2 14.172 1.548 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 2 13.007 -1.060 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.099 -0.556 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.600 -0.805 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.983 0.843 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.154 0.510 -5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.098 1.881 -4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.698 0.954 -6.314 1.00 0.00 H new ATOM 34 N THR A 3 15.114 0.386 -1.889 1.00 0.00 N ATOM 35 CA THR A 3 15.759 -0.226 -0.733 1.00 0.00 C ATOM 36 C THR A 3 14.784 -0.330 0.450 1.00 0.00 C ATOM 37 O THR A 3 13.754 0.337 0.446 1.00 0.00 O ATOM 38 CB THR A 3 17.060 0.532 -0.398 1.00 0.00 C ATOM 39 OG1 THR A 3 17.124 1.823 -0.972 1.00 0.00 O ATOM 40 CG2 THR A 3 18.262 -0.258 -0.897 1.00 0.00 C ATOM 0 H THR A 3 14.700 1.299 -1.698 1.00 0.00 H new ATOM 0 HA THR A 3 16.043 -1.252 -0.969 1.00 0.00 H new ATOM 0 HB THR A 3 17.070 0.643 0.686 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.969 2.251 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 3 19.178 0.283 -0.657 1.00 0.00 H new ATOM 0 HG22 THR A 3 18.281 -1.235 -0.415 1.00 0.00 H new ATOM 0 HG23 THR A 3 18.189 -0.388 -1.977 1.00 0.00 H new ATOM 48 N PRO A 4 15.060 -1.167 1.466 1.00 0.00 N ATOM 49 CA PRO A 4 14.176 -1.333 2.619 1.00 0.00 C ATOM 50 C PRO A 4 14.177 -0.110 3.542 1.00 0.00 C ATOM 51 O PRO A 4 13.159 0.285 4.114 1.00 0.00 O ATOM 52 CB PRO A 4 14.704 -2.561 3.364 1.00 0.00 C ATOM 53 CG PRO A 4 16.060 -2.918 2.760 1.00 0.00 C ATOM 54 CD PRO A 4 16.228 -2.032 1.538 1.00 0.00 C ATOM 0 HA PRO A 4 13.143 -1.452 2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.802 -2.350 4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.010 -3.396 3.267 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.863 -2.747 3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.098 -3.972 2.484 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.140 -1.440 1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 4 16.315 -2.636 0.635 1.00 0.00 H new ATOM 62 N GLU A 5 15.357 0.447 3.772 1.00 0.00 N ATOM 63 CA GLU A 5 15.583 1.533 4.728 1.00 0.00 C ATOM 64 C GLU A 5 14.768 2.773 4.338 1.00 0.00 C ATOM 65 O GLU A 5 14.034 3.322 5.158 1.00 0.00 O ATOM 66 CB GLU A 5 17.090 1.784 4.827 1.00 0.00 C ATOM 67 CG GLU A 5 17.535 2.151 6.253 1.00 0.00 C ATOM 68 CD GLU A 5 17.654 3.656 6.491 1.00 0.00 C ATOM 69 OE1 GLU A 5 16.601 4.320 6.662 1.00 0.00 O ATOM 70 OE2 GLU A 5 18.782 4.183 6.444 1.00 0.00 O ATOM 0 H GLU A 5 16.207 0.153 3.290 1.00 0.00 H new ATOM 0 HA GLU A 5 15.230 1.261 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.625 0.892 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.366 2.589 4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.822 1.735 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.498 1.683 6.455 1.00 0.00 H new ATOM 77 N GLN A 6 14.777 3.123 3.047 1.00 0.00 N ATOM 78 CA GLN A 6 13.994 4.203 2.448 1.00 0.00 C ATOM 79 C GLN A 6 12.469 3.984 2.476 1.00 0.00 C ATOM 80 O GLN A 6 11.738 4.714 1.811 1.00 0.00 O ATOM 81 CB GLN A 6 14.530 4.500 1.036 1.00 0.00 C ATOM 82 CG GLN A 6 14.304 3.406 0.006 1.00 0.00 C ATOM 83 CD GLN A 6 14.797 3.841 -1.370 1.00 0.00 C ATOM 84 OE1 GLN A 6 14.097 3.431 -2.406 1.00 0.00 O flip ATOM 85 NE2 GLN A 6 15.806 4.522 -1.524 1.00 0.00 N flip ATOM 0 H GLN A 6 15.357 2.638 2.363 1.00 0.00 H new ATOM 0 HA GLN A 6 14.130 5.084 3.075 1.00 0.00 H new ATOM 0 HB2 GLN A 6 14.064 5.417 0.675 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.600 4.693 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.825 2.499 0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.243 3.162 -0.044 1.00 0.00 H new ATOM 0 HE21 GLN A 6 16.340 4.834 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.111 4.777 -2.463 1.00 0.00 H new ATOM 94 N LEU A 7 11.970 3.008 3.238 1.00 0.00 N ATOM 95 CA LEU A 7 10.561 2.641 3.329 1.00 0.00 C ATOM 96 C LEU A 7 10.134 2.534 4.789 1.00 0.00 C ATOM 97 O LEU A 7 9.092 3.058 5.165 1.00 0.00 O ATOM 98 CB LEU A 7 10.332 1.292 2.636 1.00 0.00 C ATOM 99 CG LEU A 7 10.713 1.262 1.139 1.00 0.00 C ATOM 100 CD1 LEU A 7 10.634 -0.167 0.590 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.817 2.161 0.287 1.00 0.00 C ATOM 0 H LEU A 7 12.564 2.430 3.832 1.00 0.00 H new ATOM 0 HA LEU A 7 9.968 3.413 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.908 0.528 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.281 1.022 2.735 1.00 0.00 H new ATOM 0 HG LEU A 7 11.735 1.637 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.906 -0.167 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.322 -0.807 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.618 -0.544 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.129 2.102 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.782 1.832 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.901 3.191 0.633 1.00 0.00 H new ATOM 113 N GLN A 8 10.933 1.876 5.632 1.00 0.00 N ATOM 114 CA GLN A 8 10.616 1.527 7.023 1.00 0.00 C ATOM 115 C GLN A 8 10.372 2.716 7.965 1.00 0.00 C ATOM 116 O GLN A 8 10.026 2.513 9.128 1.00 0.00 O ATOM 117 CB GLN A 8 11.756 0.648 7.554 1.00 0.00 C ATOM 118 CG GLN A 8 11.603 -0.773 6.993 1.00 0.00 C ATOM 119 CD GLN A 8 12.859 -1.607 7.149 1.00 0.00 C ATOM 120 OE1 GLN A 8 12.862 -2.658 7.783 1.00 0.00 O ATOM 121 NE2 GLN A 8 13.922 -1.183 6.494 1.00 0.00 N ATOM 0 H GLN A 8 11.861 1.557 5.353 1.00 0.00 H new ATOM 0 HA GLN A 8 9.660 1.003 7.009 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.719 1.065 7.261 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.736 0.626 8.644 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.777 -1.271 7.500 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.340 -0.715 5.937 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.886 -0.305 5.977 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.781 -1.733 6.504 1.00 0.00 H new ATOM 130 N HIS A 9 10.522 3.945 7.489 1.00 0.00 N ATOM 131 CA HIS A 9 10.270 5.175 8.238 1.00 0.00 C ATOM 132 C HIS A 9 9.487 6.190 7.402 1.00 0.00 C ATOM 133 O HIS A 9 9.403 7.356 7.789 1.00 0.00 O ATOM 134 CB HIS A 9 11.600 5.729 8.769 1.00 0.00 C ATOM 135 CG HIS A 9 12.225 4.805 9.782 1.00 0.00 C ATOM 136 ND1 HIS A 9 11.815 4.658 11.091 1.00 0.00 N ATOM 137 CD2 HIS A 9 13.185 3.862 9.532 1.00 0.00 C ATOM 138 CE1 HIS A 9 12.519 3.643 11.623 1.00 0.00 C ATOM 139 NE2 HIS A 9 13.367 3.134 10.712 1.00 0.00 N ATOM 0 H HIS A 9 10.834 4.122 6.534 1.00 0.00 H new ATOM 0 HA HIS A 9 9.635 4.955 9.096 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.290 5.878 7.938 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.432 6.706 9.223 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.705 3.709 8.598 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.418 3.287 12.638 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.019 2.363 10.855 1.00 0.00 H new ATOM 147 N HIS A 10 8.906 5.766 6.275 1.00 0.00 N ATOM 148 CA HIS A 10 8.272 6.629 5.296 1.00 0.00 C ATOM 149 C HIS A 10 6.895 6.075 4.951 1.00 0.00 C ATOM 150 O HIS A 10 6.782 5.036 4.293 1.00 0.00 O ATOM 151 CB HIS A 10 9.170 6.736 4.067 1.00 0.00 C ATOM 152 CG HIS A 10 10.459 7.457 4.357 1.00 0.00 C ATOM 153 ND1 HIS A 10 10.592 8.783 4.706 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.708 6.901 4.336 1.00 0.00 C ATOM 155 CE1 HIS A 10 11.908 9.030 4.821 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.629 7.914 4.607 1.00 0.00 N ATOM 0 H HIS A 10 8.867 4.779 6.019 1.00 0.00 H new ATOM 0 HA HIS A 10 8.134 7.632 5.699 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.392 5.736 3.695 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.635 7.259 3.274 1.00 0.00 H new ATOM 0 HD1 HIS A 10 9.835 9.451 4.850 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.940 5.864 4.144 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.331 9.996 5.054 1.00 0.00 H new ATOM 164 N ARG A 11 5.842 6.749 5.412 1.00 0.00 N ATOM 165 CA ARG A 11 4.481 6.378 5.048 1.00 0.00 C ATOM 166 C ARG A 11 4.215 6.817 3.619 1.00 0.00 C ATOM 167 O ARG A 11 4.863 7.734 3.105 1.00 0.00 O ATOM 168 CB ARG A 11 3.464 6.996 6.015 1.00 0.00 C ATOM 169 CG ARG A 11 3.138 8.466 5.710 1.00 0.00 C ATOM 170 CD ARG A 11 2.028 8.983 6.615 1.00 0.00 C ATOM 171 NE ARG A 11 1.434 10.195 6.049 1.00 0.00 N ATOM 172 CZ ARG A 11 0.135 10.449 5.937 1.00 0.00 C ATOM 173 NH1 ARG A 11 -0.754 9.740 6.624 1.00 0.00 N ATOM 174 NH2 ARG A 11 -0.228 11.410 5.102 1.00 0.00 N ATOM 0 H ARG A 11 5.908 7.553 6.037 1.00 0.00 H new ATOM 0 HA ARG A 11 4.372 5.296 5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.543 6.414 5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.851 6.922 7.031 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.032 9.075 5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.837 8.566 4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.262 8.217 6.736 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.427 9.195 7.607 1.00 0.00 H new ATOM 0 HE ARG A 11 2.077 10.910 5.709 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.441 8.993 7.244 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.749 9.943 6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.480 11.922 4.575 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.215 11.638 4.985 1.00 0.00 H new ATOM 188 N PHE A 12 3.166 6.264 3.021 1.00 0.00 N ATOM 189 CA PHE A 12 2.700 6.686 1.717 1.00 0.00 C ATOM 190 C PHE A 12 1.179 6.717 1.737 1.00 0.00 C ATOM 191 O PHE A 12 0.535 5.914 2.402 1.00 0.00 O ATOM 192 CB PHE A 12 3.253 5.732 0.652 1.00 0.00 C ATOM 193 CG PHE A 12 4.718 5.946 0.320 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.723 5.472 1.183 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.080 6.631 -0.854 1.00 0.00 C ATOM 196 CE1 PHE A 12 7.078 5.689 0.884 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.434 6.827 -1.168 1.00 0.00 C ATOM 198 CZ PHE A 12 7.432 6.350 -0.301 1.00 0.00 C ATOM 0 H PHE A 12 2.617 5.509 3.433 1.00 0.00 H new ATOM 0 HA PHE A 12 3.055 7.687 1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.117 4.706 0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.666 5.845 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.451 4.938 2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.314 7.007 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.844 5.348 1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.709 7.344 -2.075 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.474 6.493 -0.548 1.00 0.00 H new ATOM 208 N VAL A 13 0.577 7.639 1.000 1.00 0.00 N ATOM 209 CA VAL A 13 -0.875 7.769 0.899 1.00 0.00 C ATOM 210 C VAL A 13 -1.325 7.408 -0.508 1.00 0.00 C ATOM 211 O VAL A 13 -0.662 7.789 -1.472 1.00 0.00 O ATOM 212 CB VAL A 13 -1.312 9.161 1.353 1.00 0.00 C ATOM 213 CG1 VAL A 13 -0.643 10.266 0.535 1.00 0.00 C ATOM 214 CG2 VAL A 13 -2.828 9.350 1.344 1.00 0.00 C ATOM 0 H VAL A 13 1.087 8.328 0.447 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.369 7.067 1.570 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.980 9.241 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.982 11.239 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.439 10.196 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.908 10.152 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.071 10.359 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.207 9.200 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.289 8.626 2.016 1.00 0.00 H new ATOM 224 N LEU A 14 -2.418 6.648 -0.624 1.00 0.00 N ATOM 225 CA LEU A 14 -2.963 6.260 -1.929 1.00 0.00 C ATOM 226 C LEU A 14 -3.415 7.537 -2.628 1.00 0.00 C ATOM 227 O LEU A 14 -4.184 8.326 -2.073 1.00 0.00 O ATOM 228 CB LEU A 14 -4.128 5.261 -1.812 1.00 0.00 C ATOM 229 CG LEU A 14 -4.700 4.746 -3.155 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.647 4.185 -4.116 1.00 0.00 C ATOM 231 CD2 LEU A 14 -5.696 3.608 -2.901 1.00 0.00 C ATOM 0 H LEU A 14 -2.944 6.288 0.172 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.191 5.747 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.792 4.404 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.934 5.733 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.160 5.622 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.133 3.847 -5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.922 4.963 -4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.135 3.346 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.093 3.253 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.190 2.789 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.514 3.973 -2.280 1.00 0.00 H new ATOM 243 N GLU A 15 -2.858 7.785 -3.805 1.00 0.00 N ATOM 244 CA GLU A 15 -3.068 9.000 -4.569 1.00 0.00 C ATOM 245 C GLU A 15 -3.989 8.672 -5.738 1.00 0.00 C ATOM 246 O GLU A 15 -5.024 9.316 -5.922 1.00 0.00 O ATOM 247 CB GLU A 15 -1.698 9.554 -4.995 1.00 0.00 C ATOM 248 CG GLU A 15 -1.589 11.060 -4.762 1.00 0.00 C ATOM 249 CD GLU A 15 -2.435 11.900 -5.716 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.247 11.799 -6.953 1.00 0.00 O ATOM 251 OE2 GLU A 15 -3.135 12.804 -5.203 1.00 0.00 O ATOM 0 H GLU A 15 -2.230 7.126 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.555 9.781 -3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.912 9.044 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.532 9.338 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.888 11.281 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.545 11.358 -4.861 1.00 0.00 H new ATOM 258 N SER A 16 -3.662 7.618 -6.488 1.00 0.00 N ATOM 259 CA SER A 16 -4.461 7.208 -7.621 1.00 0.00 C ATOM 260 C SER A 16 -4.440 5.692 -7.775 1.00 0.00 C ATOM 261 O SER A 16 -3.386 5.063 -7.919 1.00 0.00 O ATOM 262 CB SER A 16 -3.984 7.941 -8.878 1.00 0.00 C ATOM 263 OG SER A 16 -2.579 8.013 -9.019 1.00 0.00 O ATOM 0 H SER A 16 -2.841 7.036 -6.321 1.00 0.00 H new ATOM 0 HA SER A 16 -5.503 7.484 -7.457 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.399 7.442 -9.754 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.387 8.954 -8.868 1.00 0.00 H new ATOM 0 HG SER A 16 -2.357 8.493 -9.844 1.00 0.00 H new ATOM 269 N VAL A 17 -5.628 5.096 -7.786 1.00 0.00 N ATOM 270 CA VAL A 17 -5.834 3.753 -8.296 1.00 0.00 C ATOM 271 C VAL A 17 -5.530 3.789 -9.803 1.00 0.00 C ATOM 272 O VAL A 17 -5.631 4.847 -10.440 1.00 0.00 O ATOM 273 CB VAL A 17 -7.293 3.293 -8.028 1.00 0.00 C ATOM 274 CG1 VAL A 17 -7.443 1.767 -8.045 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.851 3.767 -6.678 1.00 0.00 C ATOM 0 H VAL A 17 -6.479 5.538 -7.438 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.178 3.039 -7.797 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.854 3.751 -8.843 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.482 1.501 -7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.145 1.383 -9.021 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.808 1.330 -7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.873 3.408 -6.561 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.233 3.374 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.843 4.856 -6.643 1.00 0.00 H new ATOM 285 N ASN A 18 -5.256 2.619 -10.389 1.00 0.00 N ATOM 286 CA ASN A 18 -5.254 2.416 -11.837 1.00 0.00 C ATOM 287 C ASN A 18 -6.473 3.057 -12.504 1.00 0.00 C ATOM 288 O ASN A 18 -6.340 3.673 -13.557 1.00 0.00 O ATOM 289 CB ASN A 18 -5.184 0.909 -12.150 1.00 0.00 C ATOM 290 CG ASN A 18 -5.704 0.583 -13.545 1.00 0.00 C ATOM 291 OD1 ASN A 18 -4.951 0.563 -14.516 1.00 0.00 O ATOM 292 ND2 ASN A 18 -6.990 0.308 -13.667 1.00 0.00 N ATOM 0 H ASN A 18 -5.027 1.777 -9.862 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.373 2.908 -12.248 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.152 0.569 -12.061 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.766 0.359 -11.410 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.377 0.073 -14.581 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.596 0.331 -12.847 1.00 0.00 H new ATOM 299 N GLY A 19 -7.651 2.896 -11.906 1.00 0.00 N ATOM 300 CA GLY A 19 -8.906 3.272 -12.536 1.00 0.00 C ATOM 301 C GLY A 19 -9.350 4.704 -12.251 1.00 0.00 C ATOM 302 O GLY A 19 -9.990 5.287 -13.122 1.00 0.00 O ATOM 0 H GLY A 19 -7.758 2.501 -10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.811 3.142 -13.614 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.686 2.589 -12.200 1.00 0.00 H new ATOM 306 N LYS A 20 -9.076 5.263 -11.063 1.00 0.00 N ATOM 307 CA LYS A 20 -9.545 6.582 -10.618 1.00 0.00 C ATOM 308 C LYS A 20 -8.695 7.081 -9.444 1.00 0.00 C ATOM 309 O LYS A 20 -7.981 6.281 -8.841 1.00 0.00 O ATOM 310 CB LYS A 20 -11.027 6.504 -10.178 1.00 0.00 C ATOM 311 CG LYS A 20 -11.990 6.652 -11.366 1.00 0.00 C ATOM 312 CD LYS A 20 -13.111 7.667 -11.135 1.00 0.00 C ATOM 313 CE LYS A 20 -14.052 7.599 -12.342 1.00 0.00 C ATOM 314 NZ LYS A 20 -14.757 8.869 -12.602 1.00 0.00 N ATOM 0 H LYS A 20 -8.503 4.793 -10.363 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.452 7.277 -11.452 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.208 5.551 -9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.230 7.287 -9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.421 6.949 -12.247 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.433 5.680 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.650 7.439 -10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.702 8.671 -11.024 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.478 7.322 -13.226 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.786 6.810 -12.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.377 8.759 -13.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.329 9.125 -11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.062 9.620 -12.788 1.00 0.00 H new ATOM 328 N PRO A 21 -8.771 8.374 -9.084 1.00 0.00 N ATOM 329 CA PRO A 21 -8.297 8.860 -7.792 1.00 0.00 C ATOM 330 C PRO A 21 -9.113 8.249 -6.642 1.00 0.00 C ATOM 331 O PRO A 21 -10.055 7.477 -6.857 1.00 0.00 O ATOM 332 CB PRO A 21 -8.452 10.385 -7.857 1.00 0.00 C ATOM 333 CG PRO A 21 -9.656 10.559 -8.782 1.00 0.00 C ATOM 334 CD PRO A 21 -9.450 9.445 -9.804 1.00 0.00 C ATOM 0 HA PRO A 21 -7.263 8.575 -7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.632 10.816 -6.872 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.560 10.866 -8.258 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.599 10.449 -8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.669 11.543 -9.251 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.403 9.103 -10.209 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.852 9.792 -10.647 1.00 0.00 H new ATOM 342 N VAL A 22 -8.762 8.628 -5.414 1.00 0.00 N ATOM 343 CA VAL A 22 -9.539 8.333 -4.213 1.00 0.00 C ATOM 344 C VAL A 22 -9.719 9.644 -3.433 1.00 0.00 C ATOM 345 O VAL A 22 -8.809 10.475 -3.417 1.00 0.00 O ATOM 346 CB VAL A 22 -8.822 7.253 -3.371 1.00 0.00 C ATOM 347 CG1 VAL A 22 -9.775 6.643 -2.344 1.00 0.00 C ATOM 348 CG2 VAL A 22 -8.288 6.085 -4.208 1.00 0.00 C ATOM 0 H VAL A 22 -7.912 9.159 -5.223 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.520 7.934 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.989 7.774 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.248 5.886 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.139 7.424 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.619 6.184 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.797 5.364 -3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.116 5.600 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.571 6.459 -4.939 1.00 0.00 H new ATOM 358 N THR A 23 -10.862 9.830 -2.772 1.00 0.00 N ATOM 359 CA THR A 23 -11.173 11.000 -1.953 1.00 0.00 C ATOM 360 C THR A 23 -11.989 10.537 -0.746 1.00 0.00 C ATOM 361 O THR A 23 -13.119 10.082 -0.937 1.00 0.00 O ATOM 362 CB THR A 23 -11.934 12.066 -2.776 1.00 0.00 C ATOM 363 OG1 THR A 23 -12.559 11.564 -3.955 1.00 0.00 O ATOM 364 CG2 THR A 23 -11.000 13.195 -3.201 1.00 0.00 C ATOM 0 H THR A 23 -11.620 9.148 -2.793 1.00 0.00 H new ATOM 0 HA THR A 23 -10.251 11.470 -1.610 1.00 0.00 H new ATOM 0 HB THR A 23 -12.715 12.419 -2.103 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.019 12.295 -4.418 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.559 13.932 -3.778 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.579 13.671 -2.316 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.194 12.790 -3.813 1.00 0.00 H new ATOM 372 N SER A 24 -11.432 10.603 0.469 1.00 0.00 N ATOM 373 CA SER A 24 -11.961 9.891 1.636 1.00 0.00 C ATOM 374 C SER A 24 -12.029 10.786 2.881 1.00 0.00 C ATOM 375 O SER A 24 -11.647 10.375 3.977 1.00 0.00 O ATOM 376 CB SER A 24 -11.150 8.615 1.879 1.00 0.00 C ATOM 377 OG SER A 24 -10.851 7.933 0.669 1.00 0.00 O ATOM 0 H SER A 24 -10.598 11.155 0.670 1.00 0.00 H new ATOM 0 HA SER A 24 -12.991 9.604 1.425 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.222 8.868 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.708 7.952 2.540 1.00 0.00 H new ATOM 0 HG SER A 24 -10.783 6.971 0.844 1.00 0.00 H new ATOM 383 N ASP A 25 -12.527 12.013 2.708 1.00 0.00 N ATOM 384 CA ASP A 25 -12.854 13.018 3.719 1.00 0.00 C ATOM 385 C ASP A 25 -11.585 13.480 4.432 1.00 0.00 C ATOM 386 O ASP A 25 -11.018 14.513 4.077 1.00 0.00 O ATOM 387 CB ASP A 25 -13.948 12.532 4.695 1.00 0.00 C ATOM 388 CG ASP A 25 -15.367 12.603 4.133 1.00 0.00 C ATOM 389 OD1 ASP A 25 -15.660 11.888 3.148 1.00 0.00 O ATOM 390 OD2 ASP A 25 -16.197 13.349 4.724 1.00 0.00 O ATOM 0 H ASP A 25 -12.730 12.358 1.770 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.283 13.884 3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.733 11.502 4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.899 13.131 5.605 1.00 0.00 H new ATOM 395 N LYS A 26 -11.107 12.716 5.412 1.00 0.00 N ATOM 396 CA LYS A 26 -9.811 12.914 6.066 1.00 0.00 C ATOM 397 C LYS A 26 -9.138 11.582 6.424 1.00 0.00 C ATOM 398 O LYS A 26 -8.079 11.573 7.051 1.00 0.00 O ATOM 399 CB LYS A 26 -9.985 13.850 7.277 1.00 0.00 C ATOM 400 CG LYS A 26 -8.662 14.530 7.681 1.00 0.00 C ATOM 401 CD LYS A 26 -8.839 15.690 8.671 1.00 0.00 C ATOM 402 CE LYS A 26 -9.505 15.258 9.979 1.00 0.00 C ATOM 403 NZ LYS A 26 -8.612 14.451 10.829 1.00 0.00 N ATOM 0 H LYS A 26 -11.623 11.919 5.785 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.129 13.397 5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.727 14.613 7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.372 13.280 8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.001 13.784 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.167 14.902 6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.864 16.125 8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.439 16.471 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.823 16.143 10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.403 14.683 9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.111 14.184 11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.328 13.592 10.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.766 15.006 11.070 1.00 0.00 H new ATOM 417 N ASN A 27 -9.716 10.447 6.026 1.00 0.00 N ATOM 418 CA ASN A 27 -9.276 9.102 6.381 1.00 0.00 C ATOM 419 C ASN A 27 -8.988 8.338 5.088 1.00 0.00 C ATOM 420 O ASN A 27 -9.767 7.457 4.718 1.00 0.00 O ATOM 421 CB ASN A 27 -10.357 8.412 7.236 1.00 0.00 C ATOM 422 CG ASN A 27 -10.567 9.126 8.559 1.00 0.00 C ATOM 423 OD1 ASN A 27 -9.736 9.051 9.459 1.00 0.00 O ATOM 424 ND2 ASN A 27 -11.637 9.883 8.718 1.00 0.00 N ATOM 0 H ASN A 27 -10.538 10.443 5.422 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.365 9.130 6.978 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -11.296 8.386 6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.068 7.378 7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.770 10.402 9.586 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.331 9.949 7.973 1.00 0.00 H new ATOM 431 N PRO A 28 -7.921 8.681 4.345 1.00 0.00 N ATOM 432 CA PRO A 28 -7.609 8.014 3.091 1.00 0.00 C ATOM 433 C PRO A 28 -7.065 6.604 3.334 1.00 0.00 C ATOM 434 O PRO A 28 -6.504 6.347 4.407 1.00 0.00 O ATOM 435 CB PRO A 28 -6.549 8.893 2.427 1.00 0.00 C ATOM 436 CG PRO A 28 -5.811 9.492 3.619 1.00 0.00 C ATOM 437 CD PRO A 28 -6.921 9.696 4.645 1.00 0.00 C ATOM 0 HA PRO A 28 -8.495 7.894 2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.883 8.312 1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.998 9.664 1.800 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.036 8.822 3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.323 10.432 3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.542 9.585 5.661 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.344 10.698 4.571 1.00 0.00 H new ATOM 445 N PRO A 29 -7.104 5.733 2.315 1.00 0.00 N ATOM 446 CA PRO A 29 -6.339 4.492 2.277 1.00 0.00 C ATOM 447 C PRO A 29 -4.838 4.765 2.156 1.00 0.00 C ATOM 448 O PRO A 29 -4.184 4.426 1.170 1.00 0.00 O ATOM 449 CB PRO A 29 -6.911 3.700 1.098 1.00 0.00 C ATOM 450 CG PRO A 29 -7.532 4.754 0.193 1.00 0.00 C ATOM 451 CD PRO A 29 -7.971 5.850 1.149 1.00 0.00 C ATOM 0 HA PRO A 29 -6.432 3.918 3.199 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.131 3.142 0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.654 2.975 1.431 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.813 5.126 -0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.376 4.352 -0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.875 6.833 0.687 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -9.018 5.730 1.427 1.00 0.00 H new ATOM 459 N GLU A 30 -4.250 5.383 3.167 1.00 0.00 N ATOM 460 CA GLU A 30 -2.816 5.468 3.335 1.00 0.00 C ATOM 461 C GLU A 30 -2.269 4.095 3.760 1.00 0.00 C ATOM 462 O GLU A 30 -3.021 3.151 4.039 1.00 0.00 O ATOM 463 CB GLU A 30 -2.496 6.639 4.283 1.00 0.00 C ATOM 464 CG GLU A 30 -3.052 6.458 5.704 1.00 0.00 C ATOM 465 CD GLU A 30 -3.251 7.768 6.486 1.00 0.00 C ATOM 466 OE1 GLU A 30 -3.283 8.883 5.932 1.00 0.00 O ATOM 467 OE2 GLU A 30 -3.366 7.697 7.740 1.00 0.00 O ATOM 0 H GLU A 30 -4.772 5.849 3.909 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.301 5.698 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.415 6.763 4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.901 7.558 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.008 5.938 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.375 5.814 6.266 1.00 0.00 H new ATOM 474 N ILE A 31 -0.951 3.960 3.756 1.00 0.00 N ATOM 475 CA ILE A 31 -0.233 2.763 4.151 1.00 0.00 C ATOM 476 C ILE A 31 1.016 3.219 4.899 1.00 0.00 C ATOM 477 O ILE A 31 1.582 4.277 4.596 1.00 0.00 O ATOM 478 CB ILE A 31 0.065 1.895 2.903 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.620 0.526 3.334 1.00 0.00 C ATOM 480 CG2 ILE A 31 0.985 2.576 1.867 1.00 0.00 C ATOM 481 CD1 ILE A 31 0.732 -0.461 2.173 1.00 0.00 C ATOM 0 H ILE A 31 -0.329 4.714 3.465 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.817 2.126 4.815 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.885 1.756 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.603 0.663 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.026 0.103 4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.145 1.903 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.518 3.495 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.943 2.811 2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.129 -1.408 2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.254 -0.624 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.401 -0.055 1.414 1.00 0.00 H new ATOM 493 N SER A 32 1.474 2.417 5.852 1.00 0.00 N ATOM 494 CA SER A 32 2.724 2.653 6.532 1.00 0.00 C ATOM 495 C SER A 32 3.496 1.346 6.621 1.00 0.00 C ATOM 496 O SER A 32 2.977 0.245 6.408 1.00 0.00 O ATOM 497 CB SER A 32 2.456 3.302 7.894 1.00 0.00 C ATOM 498 OG SER A 32 3.520 4.169 8.225 1.00 0.00 O ATOM 0 H SER A 32 0.980 1.583 6.170 1.00 0.00 H new ATOM 0 HA SER A 32 3.347 3.353 5.976 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.518 3.856 7.865 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.349 2.533 8.659 1.00 0.00 H new ATOM 0 HG SER A 32 3.345 4.584 9.095 1.00 0.00 H new ATOM 504 N PHE A 33 4.774 1.502 6.924 1.00 0.00 N ATOM 505 CA PHE A 33 5.740 0.427 7.014 1.00 0.00 C ATOM 506 C PHE A 33 6.520 0.618 8.299 1.00 0.00 C ATOM 507 O PHE A 33 6.444 1.681 8.924 1.00 0.00 O ATOM 508 CB PHE A 33 6.662 0.437 5.788 1.00 0.00 C ATOM 509 CG PHE A 33 5.923 0.212 4.486 1.00 0.00 C ATOM 510 CD1 PHE A 33 5.516 -1.088 4.133 1.00 0.00 C ATOM 511 CD2 PHE A 33 5.627 1.297 3.638 1.00 0.00 C ATOM 512 CE1 PHE A 33 4.806 -1.300 2.936 1.00 0.00 C ATOM 513 CE2 PHE A 33 4.898 1.082 2.453 1.00 0.00 C ATOM 514 CZ PHE A 33 4.492 -0.217 2.098 1.00 0.00 C ATOM 0 H PHE A 33 5.179 2.417 7.121 1.00 0.00 H new ATOM 0 HA PHE A 33 5.243 -0.543 7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.184 1.393 5.742 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.421 -0.336 5.906 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.748 -1.922 4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.959 2.292 3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.502 -2.299 2.661 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.650 1.917 1.815 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.941 -0.381 1.184 1.00 0.00 H new ATOM 524 N GLY A 34 7.274 -0.390 8.711 1.00 0.00 N ATOM 525 CA GLY A 34 8.184 -0.267 9.829 1.00 0.00 C ATOM 526 C GLY A 34 9.133 -1.445 9.856 1.00 0.00 C ATOM 527 O GLY A 34 9.160 -2.231 8.909 1.00 0.00 O ATOM 0 H GLY A 34 7.269 -1.313 8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.747 0.663 9.749 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.623 -0.220 10.762 1.00 0.00 H new ATOM 531 N GLU A 35 9.890 -1.545 10.946 1.00 0.00 N ATOM 532 CA GLU A 35 10.975 -2.494 11.170 1.00 0.00 C ATOM 533 C GLU A 35 10.585 -3.903 10.721 1.00 0.00 C ATOM 534 O GLU A 35 9.420 -4.303 10.801 1.00 0.00 O ATOM 535 CB GLU A 35 11.337 -2.496 12.672 1.00 0.00 C ATOM 536 CG GLU A 35 12.835 -2.320 12.947 1.00 0.00 C ATOM 537 CD GLU A 35 13.695 -3.510 12.517 1.00 0.00 C ATOM 538 OE1 GLU A 35 14.006 -3.619 11.307 1.00 0.00 O ATOM 539 OE2 GLU A 35 14.094 -4.325 13.384 1.00 0.00 O ATOM 0 H GLU A 35 9.753 -0.927 11.745 1.00 0.00 H new ATOM 0 HA GLU A 35 11.837 -2.187 10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.789 -1.696 13.169 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.003 -3.434 13.115 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.186 -1.427 12.430 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.980 -2.148 14.014 1.00 0.00 H new ATOM 546 N LYS A 36 11.582 -4.669 10.276 1.00 0.00 N ATOM 547 CA LYS A 36 11.430 -5.971 9.624 1.00 0.00 C ATOM 548 C LYS A 36 10.707 -5.850 8.274 1.00 0.00 C ATOM 549 O LYS A 36 10.264 -6.870 7.738 1.00 0.00 O ATOM 550 CB LYS A 36 10.762 -7.013 10.552 1.00 0.00 C ATOM 551 CG LYS A 36 11.117 -6.961 12.038 1.00 0.00 C ATOM 552 CD LYS A 36 12.574 -7.280 12.348 1.00 0.00 C ATOM 553 CE LYS A 36 12.674 -7.509 13.855 1.00 0.00 C ATOM 554 NZ LYS A 36 12.527 -6.266 14.644 1.00 0.00 N ATOM 0 H LYS A 36 12.558 -4.388 10.364 1.00 0.00 H new ATOM 0 HA LYS A 36 12.434 -6.341 9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.682 -6.903 10.460 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.014 -8.006 10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.886 -5.966 12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.481 -7.664 12.576 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.899 -8.165 11.802 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.222 -6.460 12.039 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.905 -8.219 14.160 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.637 -7.965 14.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.867 -6.428 15.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.085 -5.507 14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.525 -5.988 14.670 1.00 0.00 H new ATOM 568 N MET A 37 10.596 -4.641 7.707 1.00 0.00 N ATOM 569 CA MET A 37 9.804 -4.314 6.521 1.00 0.00 C ATOM 570 C MET A 37 8.303 -4.614 6.690 1.00 0.00 C ATOM 571 O MET A 37 7.579 -4.744 5.702 1.00 0.00 O ATOM 572 CB MET A 37 10.447 -4.939 5.264 1.00 0.00 C ATOM 573 CG MET A 37 11.258 -3.914 4.468 1.00 0.00 C ATOM 574 SD MET A 37 10.328 -2.540 3.711 1.00 0.00 S ATOM 575 CE MET A 37 9.064 -3.454 2.786 1.00 0.00 C ATOM 0 H MET A 37 11.081 -3.827 8.084 1.00 0.00 H new ATOM 0 HA MET A 37 9.826 -3.233 6.381 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.095 -5.764 5.560 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.668 -5.358 4.628 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.013 -3.490 5.130 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.789 -4.442 3.676 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.803 -2.901 1.883 1.00 0.00 H new ATOM 0 HE2 MET A 37 9.452 -4.435 2.512 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.176 -3.576 3.406 1.00 0.00 H new ATOM 585 N MET A 38 7.808 -4.708 7.927 1.00 0.00 N ATOM 586 CA MET A 38 6.407 -4.964 8.212 1.00 0.00 C ATOM 587 C MET A 38 5.502 -3.868 7.660 1.00 0.00 C ATOM 588 O MET A 38 5.920 -2.726 7.466 1.00 0.00 O ATOM 589 CB MET A 38 6.188 -5.062 9.723 1.00 0.00 C ATOM 590 CG MET A 38 5.594 -6.409 10.117 1.00 0.00 C ATOM 591 SD MET A 38 4.581 -6.313 11.608 1.00 0.00 S ATOM 592 CE MET A 38 3.111 -5.511 10.897 1.00 0.00 C ATOM 0 H MET A 38 8.382 -4.606 8.764 1.00 0.00 H new ATOM 0 HA MET A 38 6.149 -5.905 7.726 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.137 -4.917 10.239 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.523 -4.261 10.048 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.988 -6.789 9.295 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.400 -7.125 10.276 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.266 -5.635 11.574 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.309 -4.449 10.755 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.876 -5.968 9.936 1.00 0.00 H new ATOM 602 N ILE A 39 4.225 -4.207 7.504 1.00 0.00 N ATOM 603 CA ILE A 39 3.236 -3.418 6.779 1.00 0.00 C ATOM 604 C ILE A 39 1.983 -3.292 7.644 1.00 0.00 C ATOM 605 O ILE A 39 1.515 -4.288 8.207 1.00 0.00 O ATOM 606 CB ILE A 39 2.871 -4.098 5.433 1.00 0.00 C ATOM 607 CG1 ILE A 39 4.070 -4.664 4.633 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.057 -3.103 4.579 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.635 -5.623 3.518 1.00 0.00 C ATOM 0 H ILE A 39 3.838 -5.067 7.892 1.00 0.00 H new ATOM 0 HA ILE A 39 3.650 -2.433 6.564 1.00 0.00 H new ATOM 0 HB ILE A 39 2.279 -4.979 5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.634 -3.839 4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.743 -5.186 5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.794 -3.569 3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.147 -2.826 5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.654 -2.211 4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.515 -5.990 2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.095 -6.465 3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.985 -5.097 2.819 1.00 0.00 H new ATOM 621 N SER A 40 1.393 -2.097 7.666 1.00 0.00 N ATOM 622 CA SER A 40 0.059 -1.824 8.184 1.00 0.00 C ATOM 623 C SER A 40 -0.619 -0.902 7.167 1.00 0.00 C ATOM 624 O SER A 40 0.012 0.057 6.716 1.00 0.00 O ATOM 625 CB SER A 40 0.164 -1.157 9.562 1.00 0.00 C ATOM 626 OG SER A 40 1.032 -1.881 10.424 1.00 0.00 O ATOM 0 H SER A 40 1.853 -1.260 7.308 1.00 0.00 H new ATOM 0 HA SER A 40 -0.522 -2.737 8.315 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.531 -0.137 9.447 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.826 -1.091 10.012 1.00 0.00 H new ATOM 0 HG SER A 40 1.080 -1.431 11.293 1.00 0.00 H new ATOM 632 N GLY A 41 -1.861 -1.179 6.767 1.00 0.00 N ATOM 633 CA GLY A 41 -2.550 -0.370 5.770 1.00 0.00 C ATOM 634 C GLY A 41 -4.058 -0.526 5.872 1.00 0.00 C ATOM 635 O GLY A 41 -4.559 -1.363 6.629 1.00 0.00 O ATOM 0 H GLY A 41 -2.409 -1.962 7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.282 0.678 5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.220 -0.660 4.773 1.00 0.00 H new ATOM 639 N SER A 42 -4.807 0.280 5.120 1.00 0.00 N ATOM 640 CA SER A 42 -6.230 0.440 5.362 1.00 0.00 C ATOM 641 C SER A 42 -7.003 0.744 4.073 1.00 0.00 C ATOM 642 O SER A 42 -7.460 1.870 3.887 1.00 0.00 O ATOM 643 CB SER A 42 -6.355 1.539 6.435 1.00 0.00 C ATOM 644 OG SER A 42 -5.565 2.670 6.081 1.00 0.00 O ATOM 0 H SER A 42 -4.447 0.830 4.340 1.00 0.00 H new ATOM 0 HA SER A 42 -6.685 -0.483 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.399 1.835 6.542 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.034 1.151 7.402 1.00 0.00 H new ATOM 0 HG SER A 42 -5.801 2.964 5.177 1.00 0.00 H new ATOM 650 N MET A 43 -7.170 -0.242 3.179 1.00 0.00 N ATOM 651 CA MET A 43 -7.931 -0.025 1.949 1.00 0.00 C ATOM 652 C MET A 43 -9.406 0.223 2.301 1.00 0.00 C ATOM 653 O MET A 43 -9.930 1.294 1.986 1.00 0.00 O ATOM 654 CB MET A 43 -7.739 -1.174 0.946 1.00 0.00 C ATOM 655 CG MET A 43 -6.427 -1.096 0.156 1.00 0.00 C ATOM 656 SD MET A 43 -6.207 0.349 -0.919 1.00 0.00 S ATOM 657 CE MET A 43 -5.077 -0.348 -2.145 1.00 0.00 C ATOM 0 H MET A 43 -6.792 -1.184 3.286 1.00 0.00 H new ATOM 0 HA MET A 43 -7.551 0.863 1.444 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.772 -2.122 1.483 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.574 -1.175 0.245 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.600 -1.121 0.866 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.346 -1.993 -0.459 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.848 0.405 -2.899 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.156 -0.661 -1.654 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.545 -1.209 -2.623 1.00 0.00 H new ATOM 667 N CYS A 44 -10.061 -0.718 2.981 1.00 0.00 N ATOM 668 CA CYS A 44 -11.302 -0.459 3.710 1.00 0.00 C ATOM 669 C CYS A 44 -11.286 -1.343 4.952 1.00 0.00 C ATOM 670 O CYS A 44 -11.305 -0.855 6.082 1.00 0.00 O ATOM 671 CB CYS A 44 -12.533 -0.704 2.823 1.00 0.00 C ATOM 672 SG CYS A 44 -14.140 -0.888 3.641 1.00 0.00 S ATOM 0 H CYS A 44 -9.744 -1.686 3.042 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.368 0.587 4.008 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.609 0.124 2.119 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.350 -1.605 2.237 1.00 0.00 H new ATOM 677 N ASN A 45 -11.161 -2.652 4.745 1.00 0.00 N ATOM 678 CA ASN A 45 -11.292 -3.722 5.731 1.00 0.00 C ATOM 679 C ASN A 45 -10.098 -3.824 6.670 1.00 0.00 C ATOM 680 O ASN A 45 -10.059 -4.745 7.486 1.00 0.00 O ATOM 681 CB ASN A 45 -11.508 -5.078 5.028 1.00 0.00 C ATOM 682 CG ASN A 45 -12.929 -5.238 4.517 1.00 0.00 C ATOM 683 OD1 ASN A 45 -13.743 -5.859 5.181 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.281 -4.670 3.382 1.00 0.00 N ATOM 0 H ASN A 45 -10.950 -3.019 3.817 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.161 -3.469 6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.811 -5.168 4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.280 -5.886 5.723 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.242 -4.747 3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.592 -4.153 2.835 1.00 0.00 H new ATOM 691 N ARG A 46 -9.155 -2.881 6.612 1.00 0.00 N ATOM 692 CA ARG A 46 -7.821 -2.938 7.207 1.00 0.00 C ATOM 693 C ARG A 46 -7.017 -4.133 6.707 1.00 0.00 C ATOM 694 O ARG A 46 -7.550 -5.199 6.423 1.00 0.00 O ATOM 695 CB ARG A 46 -7.913 -2.924 8.745 1.00 0.00 C ATOM 696 CG ARG A 46 -7.624 -1.540 9.319 1.00 0.00 C ATOM 697 CD ARG A 46 -6.117 -1.241 9.332 1.00 0.00 C ATOM 698 NE ARG A 46 -5.631 -0.895 10.675 1.00 0.00 N ATOM 699 CZ ARG A 46 -4.577 -1.424 11.306 1.00 0.00 C ATOM 700 NH1 ARG A 46 -3.818 -2.348 10.716 1.00 0.00 N ATOM 701 NH2 ARG A 46 -4.300 -1.027 12.542 1.00 0.00 N ATOM 0 H ARG A 46 -9.314 -2.003 6.117 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.282 -2.046 6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.909 -3.244 9.052 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.206 -3.643 9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.141 -0.784 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.018 -1.476 10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.573 -2.110 8.963 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.906 -0.419 8.648 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.152 -0.177 11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.038 -2.661 9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.017 -2.742 11.210 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.887 -0.328 12.997 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.500 -1.421 13.037 1.00 0.00 H new ATOM 715 N PHE A 47 -5.701 -3.972 6.663 1.00 0.00 N ATOM 716 CA PHE A 47 -4.784 -5.070 6.460 1.00 0.00 C ATOM 717 C PHE A 47 -3.507 -4.812 7.242 1.00 0.00 C ATOM 718 O PHE A 47 -3.286 -3.743 7.825 1.00 0.00 O ATOM 719 CB PHE A 47 -4.542 -5.315 4.962 1.00 0.00 C ATOM 720 CG PHE A 47 -3.839 -4.195 4.218 1.00 0.00 C ATOM 721 CD1 PHE A 47 -4.560 -3.064 3.780 1.00 0.00 C ATOM 722 CD2 PHE A 47 -2.466 -4.297 3.933 1.00 0.00 C ATOM 723 CE1 PHE A 47 -3.908 -2.056 3.048 1.00 0.00 C ATOM 724 CE2 PHE A 47 -1.814 -3.283 3.211 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.539 -2.167 2.761 1.00 0.00 C ATOM 0 H PHE A 47 -5.243 -3.067 6.769 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.219 -5.993 6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.953 -6.225 4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.504 -5.498 4.482 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.612 -2.973 4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.910 -5.159 4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.462 -1.194 2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.757 -3.361 3.002 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.042 -1.394 2.194 1.00 0.00 H new ATOM 735 N SER A 48 -2.682 -5.846 7.293 1.00 0.00 N ATOM 736 CA SER A 48 -1.357 -5.851 7.879 1.00 0.00 C ATOM 737 C SER A 48 -0.626 -7.067 7.310 1.00 0.00 C ATOM 738 O SER A 48 -1.300 -7.981 6.823 1.00 0.00 O ATOM 739 CB SER A 48 -1.482 -5.932 9.409 1.00 0.00 C ATOM 740 OG SER A 48 -2.677 -6.568 9.857 1.00 0.00 O ATOM 0 H SER A 48 -2.937 -6.754 6.904 1.00 0.00 H new ATOM 0 HA SER A 48 -0.801 -4.943 7.644 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.623 -6.473 9.806 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.442 -4.924 9.821 1.00 0.00 H new ATOM 0 HG SER A 48 -2.690 -6.587 10.837 1.00 0.00 H new ATOM 746 N GLY A 49 0.706 -7.124 7.384 1.00 0.00 N ATOM 747 CA GLY A 49 1.420 -8.364 7.136 1.00 0.00 C ATOM 748 C GLY A 49 2.930 -8.162 7.135 1.00 0.00 C ATOM 749 O GLY A 49 3.408 -7.025 7.083 1.00 0.00 O ATOM 0 H GLY A 49 1.302 -6.328 7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.152 -9.095 7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.109 -8.776 6.176 1.00 0.00 H new ATOM 753 N GLU A 50 3.685 -9.261 7.163 1.00 0.00 N ATOM 754 CA GLU A 50 5.139 -9.236 7.188 1.00 0.00 C ATOM 755 C GLU A 50 5.678 -9.002 5.780 1.00 0.00 C ATOM 756 O GLU A 50 5.806 -9.938 4.983 1.00 0.00 O ATOM 757 CB GLU A 50 5.696 -10.538 7.765 1.00 0.00 C ATOM 758 CG GLU A 50 5.708 -10.521 9.293 1.00 0.00 C ATOM 759 CD GLU A 50 6.251 -11.834 9.850 1.00 0.00 C ATOM 760 OE1 GLU A 50 7.394 -12.223 9.540 1.00 0.00 O ATOM 761 OE2 GLU A 50 5.517 -12.515 10.618 1.00 0.00 O ATOM 0 H GLU A 50 3.294 -10.203 7.169 1.00 0.00 H new ATOM 0 HA GLU A 50 5.462 -8.418 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.095 -11.377 7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.709 -10.696 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.320 -9.691 9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.698 -10.353 9.666 1.00 0.00 H new ATOM 768 N GLY A 51 5.955 -7.743 5.468 1.00 0.00 N ATOM 769 CA GLY A 51 6.590 -7.347 4.220 1.00 0.00 C ATOM 770 C GLY A 51 8.055 -7.771 4.131 1.00 0.00 C ATOM 771 O GLY A 51 8.663 -8.278 5.078 1.00 0.00 O ATOM 0 H GLY A 51 5.742 -6.958 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.041 -7.783 3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.524 -6.264 4.114 1.00 0.00 H new ATOM 775 N LYS A 52 8.636 -7.552 2.953 1.00 0.00 N ATOM 776 CA LYS A 52 10.011 -7.867 2.602 1.00 0.00 C ATOM 777 C LYS A 52 10.451 -6.880 1.531 1.00 0.00 C ATOM 778 O LYS A 52 9.606 -6.369 0.796 1.00 0.00 O ATOM 779 CB LYS A 52 10.026 -9.308 2.078 1.00 0.00 C ATOM 780 CG LYS A 52 11.414 -9.824 1.675 1.00 0.00 C ATOM 781 CD LYS A 52 11.470 -11.360 1.631 1.00 0.00 C ATOM 782 CE LYS A 52 11.882 -11.962 2.985 1.00 0.00 C ATOM 783 NZ LYS A 52 10.816 -11.920 4.008 1.00 0.00 N ATOM 0 H LYS A 52 8.128 -7.126 2.178 1.00 0.00 H new ATOM 0 HA LYS A 52 10.692 -7.789 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.617 -9.965 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.363 -9.375 1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.679 -9.424 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.157 -9.455 2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.494 -11.750 1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.178 -11.675 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.186 -12.998 2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.753 -11.425 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.039 -12.593 4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.751 -10.960 4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.907 -12.178 3.573 1.00 0.00 H new ATOM 797 N LEU A 53 11.753 -6.619 1.427 1.00 0.00 N ATOM 798 CA LEU A 53 12.335 -5.882 0.318 1.00 0.00 C ATOM 799 C LEU A 53 13.746 -6.428 0.137 1.00 0.00 C ATOM 800 O LEU A 53 14.556 -6.358 1.061 1.00 0.00 O ATOM 801 CB LEU A 53 12.320 -4.369 0.612 1.00 0.00 C ATOM 802 CG LEU A 53 12.586 -3.442 -0.588 1.00 0.00 C ATOM 803 CD1 LEU A 53 13.951 -3.653 -1.238 1.00 0.00 C ATOM 804 CD2 LEU A 53 11.480 -3.551 -1.651 1.00 0.00 C ATOM 0 H LEU A 53 12.437 -6.919 2.121 1.00 0.00 H new ATOM 0 HA LEU A 53 11.766 -6.010 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.349 -4.112 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.067 -4.161 1.378 1.00 0.00 H new ATOM 0 HG LEU A 53 12.583 -2.436 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.066 -2.965 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 53 14.736 -3.466 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.028 -4.679 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.706 -2.881 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.427 -4.576 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.523 -3.273 -1.210 1.00 0.00 H new ATOM 816 N SER A 54 14.021 -7.015 -1.023 1.00 0.00 N ATOM 817 CA SER A 54 15.305 -7.602 -1.362 1.00 0.00 C ATOM 818 C SER A 54 15.660 -7.401 -2.842 1.00 0.00 C ATOM 819 O SER A 54 16.851 -7.366 -3.152 1.00 0.00 O ATOM 820 CB SER A 54 15.259 -9.087 -0.975 1.00 0.00 C ATOM 821 OG SER A 54 16.536 -9.600 -0.639 1.00 0.00 O ATOM 0 H SER A 54 13.334 -7.096 -1.773 1.00 0.00 H new ATOM 0 HA SER A 54 16.098 -7.101 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.584 -9.218 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.846 -9.662 -1.804 1.00 0.00 H new ATOM 0 HG SER A 54 16.455 -10.547 -0.399 1.00 0.00 H new ATOM 827 N ASN A 55 14.684 -7.244 -3.749 1.00 0.00 N ATOM 828 CA ASN A 55 14.942 -6.988 -5.176 1.00 0.00 C ATOM 829 C ASN A 55 13.980 -5.966 -5.798 1.00 0.00 C ATOM 830 O ASN A 55 14.201 -5.524 -6.923 1.00 0.00 O ATOM 831 CB ASN A 55 14.866 -8.306 -5.964 1.00 0.00 C ATOM 832 CG ASN A 55 15.770 -8.334 -7.185 1.00 0.00 C ATOM 833 OD1 ASN A 55 16.772 -9.045 -7.189 1.00 0.00 O ATOM 834 ND2 ASN A 55 15.427 -7.635 -8.242 1.00 0.00 N ATOM 0 H ASN A 55 13.692 -7.291 -3.514 1.00 0.00 H new ATOM 0 HA ASN A 55 15.942 -6.559 -5.236 1.00 0.00 H new ATOM 0 HB2 ASN A 55 15.134 -9.131 -5.304 1.00 0.00 H new ATOM 0 HB3 ASN A 55 13.836 -8.473 -6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.996 -7.676 -9.087 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.591 -7.051 -8.218 1.00 0.00 H new ATOM 841 N GLY A 56 12.907 -5.583 -5.102 1.00 0.00 N ATOM 842 CA GLY A 56 11.854 -4.731 -5.658 1.00 0.00 C ATOM 843 C GLY A 56 10.465 -5.357 -5.502 1.00 0.00 C ATOM 844 O GLY A 56 9.489 -4.832 -6.018 1.00 0.00 O ATOM 0 H GLY A 56 12.744 -5.856 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.872 -3.761 -5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.054 -4.551 -6.714 1.00 0.00 H new ATOM 848 N GLU A 57 10.363 -6.484 -4.797 1.00 0.00 N ATOM 849 CA GLU A 57 9.178 -7.330 -4.723 1.00 0.00 C ATOM 850 C GLU A 57 8.647 -7.291 -3.292 1.00 0.00 C ATOM 851 O GLU A 57 9.337 -7.749 -2.373 1.00 0.00 O ATOM 852 CB GLU A 57 9.603 -8.753 -5.104 1.00 0.00 C ATOM 853 CG GLU A 57 8.453 -9.729 -5.364 1.00 0.00 C ATOM 854 CD GLU A 57 9.028 -11.142 -5.512 1.00 0.00 C ATOM 855 OE1 GLU A 57 9.407 -11.517 -6.645 1.00 0.00 O ATOM 856 OE2 GLU A 57 9.242 -11.846 -4.492 1.00 0.00 O ATOM 0 H GLU A 57 11.138 -6.845 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 57 8.393 -6.989 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.224 -8.702 -5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.226 -9.155 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.738 -9.697 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.914 -9.445 -6.267 1.00 0.00 H new ATOM 863 N LEU A 58 7.462 -6.725 -3.078 1.00 0.00 N ATOM 864 CA LEU A 58 6.812 -6.718 -1.772 1.00 0.00 C ATOM 865 C LEU A 58 5.841 -7.898 -1.651 1.00 0.00 C ATOM 866 O LEU A 58 4.695 -7.817 -2.100 1.00 0.00 O ATOM 867 CB LEU A 58 6.128 -5.363 -1.540 1.00 0.00 C ATOM 868 CG LEU A 58 5.503 -5.228 -0.139 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.570 -5.261 0.960 1.00 0.00 C ATOM 870 CD2 LEU A 58 4.726 -3.916 -0.042 1.00 0.00 C ATOM 0 H LEU A 58 6.925 -6.257 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 58 7.558 -6.845 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.858 -4.566 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.351 -5.222 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 58 4.832 -6.075 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.092 -5.163 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.110 -6.207 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.268 -4.437 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.286 -3.826 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.402 -3.079 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.935 -3.906 -0.791 1.00 0.00 H new ATOM 882 N THR A 59 6.282 -8.992 -1.027 1.00 0.00 N ATOM 883 CA THR A 59 5.427 -10.104 -0.617 1.00 0.00 C ATOM 884 C THR A 59 5.088 -9.985 0.876 1.00 0.00 C ATOM 885 O THR A 59 5.959 -9.650 1.688 1.00 0.00 O ATOM 886 CB THR A 59 6.119 -11.442 -0.953 1.00 0.00 C ATOM 887 OG1 THR A 59 7.503 -11.427 -0.637 1.00 0.00 O ATOM 888 CG2 THR A 59 5.973 -11.743 -2.443 1.00 0.00 C ATOM 0 H THR A 59 7.264 -9.131 -0.788 1.00 0.00 H new ATOM 0 HA THR A 59 4.486 -10.071 -1.166 1.00 0.00 H new ATOM 0 HB THR A 59 5.633 -12.209 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.900 -12.294 -0.864 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.464 -12.689 -2.673 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.916 -11.811 -2.698 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.435 -10.944 -3.023 1.00 0.00 H new ATOM 896 N ALA A 60 3.835 -10.267 1.257 1.00 0.00 N ATOM 897 CA ALA A 60 3.390 -10.376 2.644 1.00 0.00 C ATOM 898 C ALA A 60 3.445 -11.836 3.086 1.00 0.00 C ATOM 899 O ALA A 60 2.611 -12.645 2.671 1.00 0.00 O ATOM 900 CB ALA A 60 1.964 -9.847 2.816 1.00 0.00 C ATOM 0 H ALA A 60 3.085 -10.430 0.586 1.00 0.00 H new ATOM 0 HA ALA A 60 4.056 -9.772 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.664 -9.943 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.927 -8.798 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.284 -10.423 2.189 1.00 0.00 H new ATOM 906 N LYS A 61 4.394 -12.177 3.957 1.00 0.00 N ATOM 907 CA LYS A 61 4.474 -13.462 4.645 1.00 0.00 C ATOM 908 C LYS A 61 3.419 -13.494 5.754 1.00 0.00 C ATOM 909 O LYS A 61 3.735 -13.405 6.945 1.00 0.00 O ATOM 910 CB LYS A 61 5.910 -13.653 5.149 1.00 0.00 C ATOM 911 CG LYS A 61 6.178 -14.999 5.846 1.00 0.00 C ATOM 912 CD LYS A 61 7.175 -14.808 6.996 1.00 0.00 C ATOM 913 CE LYS A 61 7.214 -16.053 7.885 1.00 0.00 C ATOM 914 NZ LYS A 61 7.378 -15.695 9.309 1.00 0.00 N ATOM 0 H LYS A 61 5.153 -11.544 4.211 1.00 0.00 H new ATOM 0 HA LYS A 61 4.255 -14.299 3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.592 -13.556 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.146 -12.847 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.244 -15.411 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.573 -15.717 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.169 -14.610 6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.892 -13.939 7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.294 -16.623 7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.035 -16.698 7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.401 -16.561 9.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.268 -15.172 9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.581 -15.099 9.611 1.00 0.00 H new ATOM 928 N GLY A 62 2.158 -13.603 5.352 1.00 0.00 N ATOM 929 CA GLY A 62 1.016 -13.533 6.244 1.00 0.00 C ATOM 930 C GLY A 62 0.396 -12.163 6.091 1.00 0.00 C ATOM 931 O GLY A 62 0.987 -11.188 6.547 1.00 0.00 O ATOM 0 H GLY A 62 1.900 -13.745 4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.292 -14.310 5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.326 -13.699 7.276 1.00 0.00 H new ATOM 935 N LEU A 63 -0.740 -12.067 5.395 1.00 0.00 N ATOM 936 CA LEU A 63 -1.655 -10.951 5.495 1.00 0.00 C ATOM 937 C LEU A 63 -2.681 -11.260 6.590 1.00 0.00 C ATOM 938 O LEU A 63 -2.909 -12.435 6.894 1.00 0.00 O ATOM 939 CB LEU A 63 -2.404 -10.789 4.161 1.00 0.00 C ATOM 940 CG LEU A 63 -2.584 -9.321 3.804 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.312 -8.728 3.195 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.750 -9.154 2.829 1.00 0.00 C ATOM 0 H LEU A 63 -1.046 -12.783 4.736 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.105 -10.039 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.852 -11.294 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.379 -11.272 4.228 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.800 -8.782 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.479 -7.678 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.494 -8.809 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.055 -9.273 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.869 -8.099 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.548 -9.720 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.666 -9.524 3.290 1.00 0.00 H new ATOM 954 N ALA A 64 -3.373 -10.238 7.097 1.00 0.00 N ATOM 955 CA ALA A 64 -4.574 -10.381 7.915 1.00 0.00 C ATOM 956 C ALA A 64 -5.445 -9.131 7.782 1.00 0.00 C ATOM 957 O ALA A 64 -4.896 -8.027 7.717 1.00 0.00 O ATOM 958 CB ALA A 64 -4.160 -10.556 9.370 1.00 0.00 C ATOM 0 H ALA A 64 -3.106 -9.265 6.945 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.143 -11.249 7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.049 -10.664 9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.539 -11.447 9.467 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.594 -9.683 9.695 1.00 0.00 H new ATOM 964 N MET A 65 -6.772 -9.288 7.792 1.00 0.00 N ATOM 965 CA MET A 65 -7.788 -8.258 7.523 1.00 0.00 C ATOM 966 C MET A 65 -9.049 -8.464 8.379 1.00 0.00 C ATOM 967 O MET A 65 -9.228 -9.533 8.973 1.00 0.00 O ATOM 968 CB MET A 65 -8.229 -8.324 6.053 1.00 0.00 C ATOM 969 CG MET A 65 -7.136 -8.154 5.003 1.00 0.00 C ATOM 970 SD MET A 65 -7.840 -8.152 3.333 1.00 0.00 S ATOM 971 CE MET A 65 -7.189 -6.582 2.720 1.00 0.00 C ATOM 0 H MET A 65 -7.195 -10.192 8.001 1.00 0.00 H new ATOM 0 HA MET A 65 -7.332 -7.297 7.761 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.715 -9.285 5.886 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.982 -7.553 5.888 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.600 -7.221 5.177 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.409 -8.961 5.095 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.514 -6.431 1.691 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.560 -5.767 3.341 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.100 -6.600 2.758 1.00 0.00 H new ATOM 981 N THR A 66 -9.959 -7.481 8.396 1.00 0.00 N ATOM 982 CA THR A 66 -11.243 -7.540 9.107 1.00 0.00 C ATOM 983 C THR A 66 -12.409 -7.749 8.116 1.00 0.00 C ATOM 984 O THR A 66 -12.164 -7.971 6.929 1.00 0.00 O ATOM 985 CB THR A 66 -11.416 -6.309 10.030 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.820 -5.156 9.335 1.00 0.00 O ATOM 987 CG2 THR A 66 -10.152 -5.913 10.815 1.00 0.00 C ATOM 0 H THR A 66 -9.819 -6.599 7.903 1.00 0.00 H new ATOM 0 HA THR A 66 -11.252 -8.409 9.765 1.00 0.00 H new ATOM 0 HB THR A 66 -12.186 -6.646 10.723 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.294 -5.069 8.512 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.366 -5.042 11.434 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.844 -6.743 11.451 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.350 -5.673 10.117 1.00 0.00 H new ATOM 995 N ARG A 67 -13.672 -7.674 8.564 1.00 0.00 N ATOM 996 CA ARG A 67 -14.865 -7.642 7.705 1.00 0.00 C ATOM 997 C ARG A 67 -15.659 -6.366 7.978 1.00 0.00 C ATOM 998 O ARG A 67 -16.681 -6.400 8.671 1.00 0.00 O ATOM 999 CB ARG A 67 -15.728 -8.905 7.880 1.00 0.00 C ATOM 1000 CG ARG A 67 -15.153 -10.133 7.161 1.00 0.00 C ATOM 1001 CD ARG A 67 -16.184 -11.269 7.107 1.00 0.00 C ATOM 1002 NE ARG A 67 -16.321 -11.969 8.397 1.00 0.00 N ATOM 1003 CZ ARG A 67 -15.842 -13.188 8.684 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -15.089 -13.860 7.818 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -16.118 -13.743 9.858 1.00 0.00 N ATOM 0 H ARG A 67 -13.897 -7.633 9.558 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.545 -7.634 6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.825 -9.127 8.943 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.731 -8.707 7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.854 -9.860 6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.256 -10.475 7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.152 -10.863 6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -15.892 -11.984 6.338 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.826 -11.482 9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -14.864 -13.449 6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.736 -14.786 8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -16.692 -13.242 10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.756 -14.670 10.081 1.00 0.00 H new ATOM 1019 N MET A 68 -15.188 -5.230 7.470 1.00 0.00 N ATOM 1020 CA MET A 68 -15.895 -3.949 7.485 1.00 0.00 C ATOM 1021 C MET A 68 -16.499 -3.644 6.109 1.00 0.00 C ATOM 1022 O MET A 68 -16.369 -4.409 5.155 1.00 0.00 O ATOM 1023 CB MET A 68 -14.960 -2.818 7.950 1.00 0.00 C ATOM 1024 CG MET A 68 -14.569 -2.983 9.419 1.00 0.00 C ATOM 1025 SD MET A 68 -13.692 -1.574 10.156 1.00 0.00 S ATOM 1026 CE MET A 68 -12.116 -1.639 9.265 1.00 0.00 C ATOM 0 H MET A 68 -14.274 -5.172 7.021 1.00 0.00 H new ATOM 0 HA MET A 68 -16.716 -4.018 8.199 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.062 -2.810 7.332 1.00 0.00 H new ATOM 0 HB3 MET A 68 -15.453 -1.856 7.809 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.473 -3.170 9.999 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.941 -3.869 9.513 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.294 -1.510 9.969 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.019 -2.604 8.767 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.085 -0.842 8.522 1.00 0.00 H new ATOM 1036 N MET A 69 -17.196 -2.516 6.017 1.00 0.00 N ATOM 1037 CA MET A 69 -17.637 -1.856 4.800 1.00 0.00 C ATOM 1038 C MET A 69 -17.369 -0.364 5.031 1.00 0.00 C ATOM 1039 O MET A 69 -17.019 0.045 6.145 1.00 0.00 O ATOM 1040 CB MET A 69 -19.131 -2.105 4.512 1.00 0.00 C ATOM 1041 CG MET A 69 -19.566 -3.556 4.273 1.00 0.00 C ATOM 1042 SD MET A 69 -20.705 -4.220 5.522 1.00 0.00 S ATOM 1043 CE MET A 69 -19.579 -4.446 6.909 1.00 0.00 C ATOM 0 H MET A 69 -17.486 -2.006 6.851 1.00 0.00 H new ATOM 0 HA MET A 69 -17.105 -2.243 3.931 1.00 0.00 H new ATOM 0 HB2 MET A 69 -19.707 -1.714 5.351 1.00 0.00 H new ATOM 0 HB3 MET A 69 -19.408 -1.520 3.635 1.00 0.00 H new ATOM 0 HG2 MET A 69 -20.042 -3.622 3.295 1.00 0.00 H new ATOM 0 HG3 MET A 69 -18.678 -4.187 4.239 1.00 0.00 H new ATOM 0 HE1 MET A 69 -20.091 -4.979 7.710 1.00 0.00 H new ATOM 0 HE2 MET A 69 -18.713 -5.023 6.584 1.00 0.00 H new ATOM 0 HE3 MET A 69 -19.250 -3.473 7.273 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.533 0.441 3.987 1.00 0.00 N ATOM 1054 CA CYS A 70 -17.095 1.838 3.951 1.00 0.00 C ATOM 1055 C CYS A 70 -18.046 2.803 3.235 1.00 0.00 C ATOM 1056 O CYS A 70 -17.711 3.970 3.055 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.659 1.891 3.412 1.00 0.00 C ATOM 1058 SG CYS A 70 -14.380 1.226 4.500 1.00 0.00 S ATOM 0 H CYS A 70 -17.983 0.138 3.123 1.00 0.00 H new ATOM 0 HA CYS A 70 -17.116 2.212 4.975 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.626 1.345 2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.414 2.929 3.188 1.00 0.00 H new ATOM 1063 N ALA A 71 -19.249 2.365 2.871 1.00 0.00 N ATOM 1064 CA ALA A 71 -20.292 3.135 2.201 1.00 0.00 C ATOM 1065 C ALA A 71 -19.917 3.663 0.808 1.00 0.00 C ATOM 1066 O ALA A 71 -20.763 4.287 0.158 1.00 0.00 O ATOM 1067 CB ALA A 71 -20.849 4.223 3.126 1.00 0.00 C ATOM 0 H ALA A 71 -19.539 1.403 3.047 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.094 2.427 1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -21.625 4.783 2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -21.273 3.761 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.046 4.900 3.416 1.00 0.00 H new ATOM 1073 N ASN A 72 -18.725 3.363 0.287 1.00 0.00 N ATOM 1074 CA ASN A 72 -18.500 3.380 -1.172 1.00 0.00 C ATOM 1075 C ASN A 72 -18.025 1.969 -1.558 1.00 0.00 C ATOM 1076 O ASN A 72 -17.530 1.234 -0.696 1.00 0.00 O ATOM 1077 CB ASN A 72 -17.536 4.517 -1.625 1.00 0.00 C ATOM 1078 CG ASN A 72 -16.134 4.191 -2.110 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -15.548 3.173 -1.776 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -15.561 5.060 -2.927 1.00 0.00 N ATOM 0 H ASN A 72 -17.907 3.108 0.840 1.00 0.00 H new ATOM 0 HA ASN A 72 -19.422 3.617 -1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -18.035 5.062 -2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.434 5.206 -0.786 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.622 4.882 -3.283 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -16.058 5.908 -3.200 1.00 0.00 H new ATOM 1087 N PRO A 73 -18.183 1.551 -2.821 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.787 0.215 -3.254 1.00 0.00 C ATOM 1089 C PRO A 73 -16.270 0.106 -3.451 1.00 0.00 C ATOM 1090 O PRO A 73 -15.674 -0.885 -3.047 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.543 -0.006 -4.565 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.734 1.403 -5.124 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.883 2.264 -3.876 1.00 0.00 C ATOM 0 HA PRO A 73 -18.029 -0.543 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.976 -0.634 -5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.499 -0.501 -4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.881 1.715 -5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.615 1.465 -5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.455 3.254 -4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.933 2.407 -3.622 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.659 1.134 -4.050 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.260 1.208 -4.454 1.00 0.00 C ATOM 1103 C GLN A 74 -13.345 0.742 -3.317 1.00 0.00 C ATOM 1104 O GLN A 74 -12.628 -0.240 -3.477 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.975 2.662 -4.875 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.589 2.925 -5.479 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.228 4.420 -5.508 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -12.680 5.199 -4.670 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -11.413 4.845 -6.460 1.00 0.00 N ATOM 0 H GLN A 74 -16.166 1.989 -4.278 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.060 0.544 -5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.730 2.964 -5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.097 3.303 -4.002 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.838 2.385 -4.903 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.558 2.528 -6.494 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.046 4.188 -7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.152 5.830 -6.506 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.396 1.428 -2.172 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.572 1.165 -1.000 1.00 0.00 C ATOM 1120 C LEU A 75 -12.727 -0.295 -0.549 1.00 0.00 C ATOM 1121 O LEU A 75 -11.745 -0.930 -0.174 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.941 2.142 0.145 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.707 3.656 -0.068 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.103 4.441 1.200 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.256 3.984 -0.401 1.00 0.00 C ATOM 0 H LEU A 75 -14.037 2.209 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.527 1.326 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.997 2.000 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.380 1.842 1.030 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.328 3.947 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.933 5.505 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.157 4.271 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.499 4.102 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.149 5.060 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.613 3.658 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.968 3.469 -1.317 1.00 0.00 H new ATOM 1137 N ASN A 76 -13.956 -0.826 -0.583 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.312 -2.170 -0.116 1.00 0.00 C ATOM 1139 C ASN A 76 -13.856 -3.266 -1.088 1.00 0.00 C ATOM 1140 O ASN A 76 -13.765 -4.434 -0.702 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.841 -2.221 0.087 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.326 -3.291 1.068 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -15.563 -3.997 1.723 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -17.631 -3.434 1.229 1.00 0.00 N ATOM 0 H ASN A 76 -14.757 -0.312 -0.950 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.795 -2.364 0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.179 -1.246 0.439 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.316 -2.393 -0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.991 -4.123 1.890 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -18.277 -2.855 0.693 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.591 -2.929 -2.353 1.00 0.00 N ATOM 1152 CA GLU A 77 -13.040 -3.835 -3.349 1.00 0.00 C ATOM 1153 C GLU A 77 -11.508 -3.760 -3.403 1.00 0.00 C ATOM 1154 O GLU A 77 -10.847 -4.762 -3.695 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.623 -3.463 -4.717 1.00 0.00 C ATOM 1156 CG GLU A 77 -13.844 -4.712 -5.576 1.00 0.00 C ATOM 1157 CD GLU A 77 -13.305 -4.560 -6.999 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -13.808 -3.699 -7.754 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -12.339 -5.288 -7.341 1.00 0.00 O ATOM 0 H GLU A 77 -13.761 -1.991 -2.717 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.307 -4.856 -3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.568 -2.937 -4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.948 -2.779 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.361 -5.565 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.910 -4.933 -5.619 1.00 0.00 H new ATOM 1166 N LEU A 78 -10.947 -2.581 -3.116 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.518 -2.261 -3.164 1.00 0.00 C ATOM 1168 C LEU A 78 -8.708 -3.125 -2.189 1.00 0.00 C ATOM 1169 O LEU A 78 -7.531 -3.393 -2.441 1.00 0.00 O ATOM 1170 CB LEU A 78 -9.327 -0.750 -2.879 1.00 0.00 C ATOM 1171 CG LEU A 78 -9.085 0.198 -4.081 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -9.810 -0.174 -5.384 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -9.417 1.648 -3.718 1.00 0.00 C ATOM 0 H LEU A 78 -11.510 -1.780 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.139 -2.487 -4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.212 -0.397 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.484 -0.644 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.021 0.081 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.569 0.557 -6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.490 -1.164 -5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.886 -0.179 -5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.237 2.289 -4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.464 1.719 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.786 1.969 -2.889 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.345 -3.615 -1.123 1.00 0.00 N ATOM 1186 CA ASP A 79 -8.804 -4.602 -0.188 1.00 0.00 C ATOM 1187 C ASP A 79 -8.378 -5.871 -0.911 1.00 0.00 C ATOM 1188 O ASP A 79 -7.323 -6.445 -0.617 1.00 0.00 O ATOM 1189 CB ASP A 79 -9.857 -4.992 0.854 1.00 0.00 C ATOM 1190 CG ASP A 79 -10.025 -3.960 1.955 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -9.074 -3.632 2.700 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -11.167 -3.503 2.111 1.00 0.00 O ATOM 0 H ASP A 79 -10.291 -3.322 -0.878 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.941 -4.142 0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.815 -5.139 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.580 -5.947 1.300 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.200 -6.348 -1.846 1.00 0.00 N ATOM 1198 CA ASN A 80 -8.865 -7.591 -2.520 1.00 0.00 C ATOM 1199 C ASN A 80 -7.713 -7.371 -3.489 1.00 0.00 C ATOM 1200 O ASN A 80 -6.883 -8.265 -3.621 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.075 -8.232 -3.208 1.00 0.00 C ATOM 1202 CG ASN A 80 -10.888 -9.116 -2.273 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -10.383 -9.663 -1.291 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -12.166 -9.276 -2.555 1.00 0.00 N ATOM 0 H ASN A 80 -10.071 -5.908 -2.143 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.543 -8.302 -1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.717 -7.447 -3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.732 -8.826 -4.055 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.751 -9.859 -1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.570 -8.817 -3.371 1.00 0.00 H new ATOM 1211 N THR A 81 -7.597 -6.186 -4.093 1.00 0.00 N ATOM 1212 CA THR A 81 -6.439 -5.854 -4.903 1.00 0.00 C ATOM 1213 C THR A 81 -5.160 -5.971 -4.072 1.00 0.00 C ATOM 1214 O THR A 81 -4.231 -6.658 -4.485 1.00 0.00 O ATOM 1215 CB THR A 81 -6.537 -4.438 -5.460 1.00 0.00 C ATOM 1216 OG1 THR A 81 -7.860 -4.009 -5.736 1.00 0.00 O ATOM 1217 CG2 THR A 81 -5.694 -4.320 -6.724 1.00 0.00 C ATOM 0 H THR A 81 -8.295 -5.445 -4.032 1.00 0.00 H new ATOM 0 HA THR A 81 -6.410 -6.558 -5.734 1.00 0.00 H new ATOM 0 HB THR A 81 -6.160 -3.783 -4.674 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.841 -3.094 -6.087 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.768 -3.306 -7.117 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.653 -4.543 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.057 -5.026 -7.471 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.084 -5.292 -2.919 1.00 0.00 N ATOM 1226 CA ILE A 82 -3.843 -5.300 -2.155 1.00 0.00 C ATOM 1227 C ILE A 82 -3.544 -6.715 -1.649 1.00 0.00 C ATOM 1228 O ILE A 82 -2.385 -7.133 -1.655 1.00 0.00 O ATOM 1229 CB ILE A 82 -3.856 -4.221 -1.051 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.471 -4.097 -0.394 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -4.920 -4.436 0.033 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -1.485 -3.360 -1.301 1.00 0.00 C ATOM 0 H ILE A 82 -5.844 -4.749 -2.510 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.013 -5.026 -2.806 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.119 -3.295 -1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.563 -3.566 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.085 -5.091 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.858 -3.633 0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.910 -4.435 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.749 -5.393 0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.517 -3.290 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.375 -3.906 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.860 -2.357 -1.507 1.00 0.00 H new ATOM 1244 N SER A 83 -4.582 -7.470 -1.272 1.00 0.00 N ATOM 1245 CA SER A 83 -4.441 -8.846 -0.842 1.00 0.00 C ATOM 1246 C SER A 83 -3.755 -9.698 -1.909 1.00 0.00 C ATOM 1247 O SER A 83 -2.759 -10.357 -1.605 1.00 0.00 O ATOM 1248 CB SER A 83 -5.817 -9.419 -0.509 1.00 0.00 C ATOM 1249 OG SER A 83 -6.235 -9.000 0.765 1.00 0.00 O ATOM 0 H SER A 83 -5.544 -7.132 -1.260 1.00 0.00 H new ATOM 0 HA SER A 83 -3.812 -8.866 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.541 -9.098 -1.258 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.781 -10.508 -0.546 1.00 0.00 H new ATOM 0 HG SER A 83 -7.214 -8.998 0.804 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.262 -9.643 -3.139 1.00 0.00 N ATOM 1256 CA GLU A 84 -3.728 -10.308 -4.314 1.00 0.00 C ATOM 1257 C GLU A 84 -2.279 -9.890 -4.539 1.00 0.00 C ATOM 1258 O GLU A 84 -1.410 -10.759 -4.589 1.00 0.00 O ATOM 1259 CB GLU A 84 -4.594 -9.891 -5.508 1.00 0.00 C ATOM 1260 CG GLU A 84 -5.943 -10.609 -5.602 1.00 0.00 C ATOM 1261 CD GLU A 84 -5.898 -11.769 -6.589 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -5.144 -12.746 -6.343 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -6.664 -11.728 -7.575 1.00 0.00 O ATOM 0 H GLU A 84 -5.102 -9.103 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.747 -11.390 -4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.773 -8.817 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.036 -10.074 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.227 -10.980 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.712 -9.900 -5.909 1.00 0.00 H new ATOM 1270 N MET A 85 -2.012 -8.579 -4.635 1.00 0.00 N ATOM 1271 CA MET A 85 -0.721 -8.048 -5.062 1.00 0.00 C ATOM 1272 C MET A 85 0.352 -8.516 -4.080 1.00 0.00 C ATOM 1273 O MET A 85 1.435 -8.951 -4.462 1.00 0.00 O ATOM 1274 CB MET A 85 -0.789 -6.511 -5.177 1.00 0.00 C ATOM 1275 CG MET A 85 -1.674 -6.075 -6.355 1.00 0.00 C ATOM 1276 SD MET A 85 -2.091 -4.306 -6.465 1.00 0.00 S ATOM 1277 CE MET A 85 -0.593 -3.607 -7.209 1.00 0.00 C ATOM 0 H MET A 85 -2.697 -7.856 -4.415 1.00 0.00 H new ATOM 0 HA MET A 85 -0.461 -8.423 -6.052 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.182 -6.092 -4.250 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.216 -6.110 -5.307 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.174 -6.363 -7.279 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.605 -6.640 -6.307 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.694 -2.524 -7.282 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.269 -3.850 -6.588 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.452 -4.026 -8.205 1.00 0.00 H new ATOM 1287 N LEU A 86 0.034 -8.487 -2.788 1.00 0.00 N ATOM 1288 CA LEU A 86 0.958 -8.844 -1.722 1.00 0.00 C ATOM 1289 C LEU A 86 1.126 -10.350 -1.580 1.00 0.00 C ATOM 1290 O LEU A 86 2.113 -10.789 -0.986 1.00 0.00 O ATOM 1291 CB LEU A 86 0.426 -8.253 -0.417 1.00 0.00 C ATOM 1292 CG LEU A 86 0.707 -6.748 -0.242 1.00 0.00 C ATOM 1293 CD1 LEU A 86 1.982 -6.601 0.592 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.900 -5.888 -1.498 1.00 0.00 C ATOM 0 H LEU A 86 -0.888 -8.210 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 86 1.942 -8.441 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.650 -8.418 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.869 -8.793 0.420 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.208 -6.371 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.205 -5.543 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.838 -7.073 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.812 -7.082 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.089 -4.855 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.748 -6.264 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.000 -5.933 -2.112 1.00 0.00 H new ATOM 1306 N LYS A 87 0.180 -11.148 -2.080 1.00 0.00 N ATOM 1307 CA LYS A 87 0.356 -12.586 -2.173 1.00 0.00 C ATOM 1308 C LYS A 87 1.348 -12.872 -3.291 1.00 0.00 C ATOM 1309 O LYS A 87 2.338 -13.571 -3.075 1.00 0.00 O ATOM 1310 CB LYS A 87 -0.996 -13.271 -2.443 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.244 -14.387 -1.429 1.00 0.00 C ATOM 1312 CD LYS A 87 -2.667 -14.925 -1.595 1.00 0.00 C ATOM 1313 CE LYS A 87 -2.973 -16.009 -0.553 1.00 0.00 C ATOM 1314 NZ LYS A 87 -2.200 -17.255 -0.769 1.00 0.00 N ATOM 0 H LYS A 87 -0.719 -10.813 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 87 0.742 -12.983 -1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.800 -12.537 -2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.007 -13.681 -3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.522 -15.190 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.103 -14.010 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.382 -14.108 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.789 -15.335 -2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.755 -15.621 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.038 -16.240 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.473 -17.961 -0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.400 -17.627 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.184 -17.052 -0.683 1.00 0.00 H new ATOM 1328 N GLU A 88 1.062 -12.358 -4.486 1.00 0.00 N ATOM 1329 CA GLU A 88 1.767 -12.737 -5.698 1.00 0.00 C ATOM 1330 C GLU A 88 3.176 -12.132 -5.754 1.00 0.00 C ATOM 1331 O GLU A 88 4.102 -12.827 -6.180 1.00 0.00 O ATOM 1332 CB GLU A 88 0.870 -12.488 -6.924 1.00 0.00 C ATOM 1333 CG GLU A 88 0.555 -11.015 -7.240 1.00 0.00 C ATOM 1334 CD GLU A 88 -0.727 -10.782 -8.070 1.00 0.00 C ATOM 1335 OE1 GLU A 88 -1.416 -11.786 -8.405 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -1.037 -9.611 -8.394 1.00 0.00 O ATOM 0 H GLU A 88 0.330 -11.664 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 88 1.964 -13.809 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.349 -12.932 -7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.071 -13.016 -6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.465 -10.469 -6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.400 -10.586 -7.778 1.00 0.00 H new ATOM 1343 N GLY A 89 3.384 -10.925 -5.222 1.00 0.00 N ATOM 1344 CA GLY A 89 4.669 -10.235 -5.171 1.00 0.00 C ATOM 1345 C GLY A 89 4.543 -8.927 -5.912 1.00 0.00 C ATOM 1346 O GLY A 89 4.772 -8.847 -7.115 1.00 0.00 O ATOM 0 H GLY A 89 2.630 -10.383 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.962 -10.057 -4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.447 -10.851 -5.621 1.00 0.00 H new ATOM 1350 N ALA A 90 4.111 -7.916 -5.172 1.00 0.00 N ATOM 1351 CA ALA A 90 3.787 -6.619 -5.714 1.00 0.00 C ATOM 1352 C ALA A 90 5.094 -5.969 -6.165 1.00 0.00 C ATOM 1353 O ALA A 90 5.999 -5.813 -5.342 1.00 0.00 O ATOM 1354 CB ALA A 90 3.028 -5.839 -4.640 1.00 0.00 C ATOM 0 H ALA A 90 3.976 -7.982 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 90 3.136 -6.660 -6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.769 -4.852 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.117 -6.376 -4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.656 -5.733 -3.756 1.00 0.00 H new ATOM 1360 N GLN A 91 5.227 -5.653 -7.455 1.00 0.00 N ATOM 1361 CA GLN A 91 6.444 -5.091 -8.001 1.00 0.00 C ATOM 1362 C GLN A 91 6.405 -3.613 -7.643 1.00 0.00 C ATOM 1363 O GLN A 91 5.463 -2.920 -8.033 1.00 0.00 O ATOM 1364 CB GLN A 91 6.486 -5.286 -9.523 1.00 0.00 C ATOM 1365 CG GLN A 91 6.420 -6.751 -9.993 1.00 0.00 C ATOM 1366 CD GLN A 91 7.599 -7.609 -9.526 1.00 0.00 C ATOM 1367 OE1 GLN A 91 8.619 -7.118 -9.049 1.00 0.00 O ATOM 1368 NE2 GLN A 91 7.497 -8.922 -9.648 1.00 0.00 N ATOM 0 H GLN A 91 4.487 -5.784 -8.144 1.00 0.00 H new ATOM 0 HA GLN A 91 7.334 -5.575 -7.599 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.654 -4.740 -9.967 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.403 -4.838 -9.907 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.494 -7.197 -9.630 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.378 -6.771 -11.082 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.652 -9.333 -10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.264 -9.523 -9.346 1.00 0.00 H new ATOM 1377 N VAL A 92 7.353 -3.175 -6.827 1.00 0.00 N ATOM 1378 CA VAL A 92 7.416 -1.891 -6.160 1.00 0.00 C ATOM 1379 C VAL A 92 8.426 -1.000 -6.880 1.00 0.00 C ATOM 1380 O VAL A 92 9.637 -1.190 -6.773 1.00 0.00 O ATOM 1381 CB VAL A 92 7.702 -2.143 -4.662 1.00 0.00 C ATOM 1382 CG1 VAL A 92 8.185 -0.886 -3.927 1.00 0.00 C ATOM 1383 CG2 VAL A 92 6.411 -2.569 -3.947 1.00 0.00 C ATOM 0 H VAL A 92 8.159 -3.757 -6.599 1.00 0.00 H new ATOM 0 HA VAL A 92 6.474 -1.344 -6.204 1.00 0.00 H new ATOM 0 HB VAL A 92 8.476 -2.910 -4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.369 -1.125 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.107 -0.528 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.422 -0.110 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.620 -2.745 -2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.665 -1.780 -4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.030 -3.485 -4.399 1.00 0.00 H new ATOM 1393 N ASP A 93 7.902 0.008 -7.574 1.00 0.00 N ATOM 1394 CA ASP A 93 8.636 1.062 -8.258 1.00 0.00 C ATOM 1395 C ASP A 93 8.475 2.365 -7.482 1.00 0.00 C ATOM 1396 O ASP A 93 7.771 3.304 -7.877 1.00 0.00 O ATOM 1397 CB ASP A 93 8.171 1.205 -9.713 1.00 0.00 C ATOM 1398 CG ASP A 93 9.342 1.522 -10.647 1.00 0.00 C ATOM 1399 OD1 ASP A 93 10.378 2.049 -10.178 1.00 0.00 O ATOM 1400 OD2 ASP A 93 9.244 1.194 -11.854 1.00 0.00 O ATOM 0 H ASP A 93 6.893 0.114 -7.678 1.00 0.00 H new ATOM 0 HA ASP A 93 9.694 0.803 -8.293 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.687 0.282 -10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.425 1.997 -9.782 1.00 0.00 H new ATOM 1405 N LEU A 94 9.076 2.400 -6.297 1.00 0.00 N ATOM 1406 CA LEU A 94 9.223 3.629 -5.537 1.00 0.00 C ATOM 1407 C LEU A 94 10.336 4.433 -6.205 1.00 0.00 C ATOM 1408 O LEU A 94 11.499 4.028 -6.232 1.00 0.00 O ATOM 1409 CB LEU A 94 9.391 3.320 -4.040 1.00 0.00 C ATOM 1410 CG LEU A 94 9.617 4.510 -3.086 1.00 0.00 C ATOM 1411 CD1 LEU A 94 11.095 4.853 -2.930 1.00 0.00 C ATOM 1412 CD2 LEU A 94 8.793 5.755 -3.413 1.00 0.00 C ATOM 0 H LEU A 94 9.472 1.578 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 94 8.333 4.258 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.502 2.786 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.233 2.637 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 94 9.244 4.158 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.203 5.697 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.628 3.992 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.512 5.116 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.017 6.540 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.042 6.103 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.732 5.511 -3.367 1.00 0.00 H new ATOM 1424 N THR A 95 9.941 5.529 -6.839 1.00 0.00 N ATOM 1425 CA THR A 95 10.817 6.500 -7.474 1.00 0.00 C ATOM 1426 C THR A 95 11.193 7.565 -6.435 1.00 0.00 C ATOM 1427 O THR A 95 11.091 7.325 -5.229 1.00 0.00 O ATOM 1428 CB THR A 95 10.190 6.977 -8.802 1.00 0.00 C ATOM 1429 OG1 THR A 95 11.146 7.670 -9.574 1.00 0.00 O ATOM 1430 CG2 THR A 95 8.962 7.879 -8.674 1.00 0.00 C ATOM 0 H THR A 95 8.955 5.775 -6.928 1.00 0.00 H new ATOM 0 HA THR A 95 11.772 6.081 -7.791 1.00 0.00 H new ATOM 0 HB THR A 95 9.855 6.054 -9.276 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.736 7.965 -10.414 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.606 8.152 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.174 7.348 -8.140 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.229 8.781 -8.123 1.00 0.00 H new ATOM 1438 N ALA A 96 11.710 8.715 -6.868 1.00 0.00 N ATOM 1439 CA ALA A 96 12.223 9.771 -6.002 1.00 0.00 C ATOM 1440 C ALA A 96 11.312 10.087 -4.801 1.00 0.00 C ATOM 1441 O ALA A 96 11.818 10.346 -3.713 1.00 0.00 O ATOM 1442 CB ALA A 96 12.445 11.027 -6.848 1.00 0.00 C ATOM 0 H ALA A 96 11.785 8.942 -7.860 1.00 0.00 H new ATOM 0 HA ALA A 96 13.160 9.417 -5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.829 11.828 -6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.165 10.811 -7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.500 11.338 -7.293 1.00 0.00 H new ATOM 1448 N ASN A 97 9.988 10.122 -4.990 1.00 0.00 N ATOM 1449 CA ASN A 97 9.009 10.536 -3.975 1.00 0.00 C ATOM 1450 C ASN A 97 7.574 10.094 -4.302 1.00 0.00 C ATOM 1451 O ASN A 97 6.616 10.548 -3.666 1.00 0.00 O ATOM 1452 CB ASN A 97 9.089 12.057 -3.740 1.00 0.00 C ATOM 1453 CG ASN A 97 9.228 12.913 -5.001 1.00 0.00 C ATOM 1454 OD1 ASN A 97 8.843 12.535 -6.107 1.00 0.00 O ATOM 1455 ND2 ASN A 97 9.858 14.066 -4.875 1.00 0.00 N ATOM 0 H ASN A 97 9.556 9.857 -5.875 1.00 0.00 H new ATOM 0 HA ASN A 97 9.274 10.022 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.193 12.372 -3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 97 9.938 12.262 -3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.027 14.647 -5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.176 14.376 -3.957 1.00 0.00 H new ATOM 1462 N GLN A 98 7.403 9.172 -5.249 1.00 0.00 N ATOM 1463 CA GLN A 98 6.124 8.571 -5.603 1.00 0.00 C ATOM 1464 C GLN A 98 6.332 7.060 -5.578 1.00 0.00 C ATOM 1465 O GLN A 98 7.297 6.558 -6.147 1.00 0.00 O ATOM 1466 CB GLN A 98 5.690 9.073 -6.987 1.00 0.00 C ATOM 1467 CG GLN A 98 4.306 8.566 -7.418 1.00 0.00 C ATOM 1468 CD GLN A 98 4.217 8.485 -8.938 1.00 0.00 C ATOM 1469 OE1 GLN A 98 3.877 9.458 -9.612 1.00 0.00 O ATOM 1470 NE2 GLN A 98 4.570 7.351 -9.519 1.00 0.00 N ATOM 0 H GLN A 98 8.178 8.813 -5.807 1.00 0.00 H new ATOM 0 HA GLN A 98 5.331 8.843 -4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.684 10.163 -6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.428 8.761 -7.726 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.121 7.583 -6.984 1.00 0.00 H new ATOM 0 HG3 GLN A 98 3.533 9.233 -7.038 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.850 6.552 -8.950 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.563 7.275 -10.536 1.00 0.00 H new ATOM 1479 N LEU A 99 5.451 6.338 -4.898 1.00 0.00 N ATOM 1480 CA LEU A 99 5.375 4.889 -4.954 1.00 0.00 C ATOM 1481 C LEU A 99 4.597 4.528 -6.212 1.00 0.00 C ATOM 1482 O LEU A 99 3.522 5.102 -6.411 1.00 0.00 O ATOM 1483 CB LEU A 99 4.586 4.388 -3.733 1.00 0.00 C ATOM 1484 CG LEU A 99 5.170 3.166 -3.025 1.00 0.00 C ATOM 1485 CD1 LEU A 99 4.162 2.708 -1.959 1.00 0.00 C ATOM 1486 CD2 LEU A 99 5.434 2.030 -4.008 1.00 0.00 C ATOM 0 H LEU A 99 4.755 6.755 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 99 6.370 4.444 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.512 5.202 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.571 4.150 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 99 6.123 3.434 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.555 1.835 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.997 3.514 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.218 2.450 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.849 1.175 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.499 1.739 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.143 2.363 -4.767 1.00 0.00 H new ATOM 1498 N THR A 100 5.033 3.542 -6.992 1.00 0.00 N ATOM 1499 CA THR A 100 4.186 2.950 -8.009 1.00 0.00 C ATOM 1500 C THR A 100 4.245 1.446 -7.785 1.00 0.00 C ATOM 1501 O THR A 100 5.307 0.913 -7.479 1.00 0.00 O ATOM 1502 CB THR A 100 4.664 3.360 -9.416 1.00 0.00 C ATOM 1503 OG1 THR A 100 5.534 4.486 -9.399 1.00 0.00 O ATOM 1504 CG2 THR A 100 3.455 3.704 -10.286 1.00 0.00 C ATOM 0 H THR A 100 5.969 3.140 -6.935 1.00 0.00 H new ATOM 0 HA THR A 100 3.155 3.297 -7.938 1.00 0.00 H new ATOM 0 HB THR A 100 5.218 2.512 -9.818 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.374 4.244 -8.956 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.793 3.994 -11.281 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.803 2.834 -10.364 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.905 4.530 -9.835 1.00 0.00 H new ATOM 1512 N LEU A 101 3.116 0.758 -7.880 1.00 0.00 N ATOM 1513 CA LEU A 101 3.057 -0.684 -8.009 1.00 0.00 C ATOM 1514 C LEU A 101 2.668 -1.007 -9.436 1.00 0.00 C ATOM 1515 O LEU A 101 1.942 -0.217 -10.036 1.00 0.00 O ATOM 1516 CB LEU A 101 1.946 -1.233 -7.111 1.00 0.00 C ATOM 1517 CG LEU A 101 2.330 -1.499 -5.659 1.00 0.00 C ATOM 1518 CD1 LEU A 101 3.346 -2.635 -5.576 1.00 0.00 C ATOM 1519 CD2 LEU A 101 2.886 -0.288 -4.919 1.00 0.00 C ATOM 0 H LEU A 101 2.197 1.201 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 101 4.020 -1.116 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.115 -0.528 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.581 -2.163 -7.546 1.00 0.00 H new ATOM 0 HG LEU A 101 1.396 -1.768 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.609 -2.812 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.914 -3.541 -6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.241 -2.364 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.132 -0.569 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.785 0.066 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.139 0.506 -4.908 1.00 0.00 H new ATOM 1531 N ALA A 102 2.985 -2.204 -9.920 1.00 0.00 N ATOM 1532 CA ALA A 102 2.308 -2.793 -11.067 1.00 0.00 C ATOM 1533 C ALA A 102 2.446 -4.305 -10.979 1.00 0.00 C ATOM 1534 O ALA A 102 3.546 -4.830 -11.128 1.00 0.00 O ATOM 1535 CB ALA A 102 2.970 -2.302 -12.359 1.00 0.00 C ATOM 0 H ALA A 102 3.719 -2.792 -9.527 1.00 0.00 H new ATOM 0 HA ALA A 102 1.256 -2.506 -11.070 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.463 -2.743 -13.218 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.899 -1.216 -12.414 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.019 -2.598 -12.365 1.00 0.00 H new ATOM 1541 N THR A 103 1.360 -5.009 -10.694 1.00 0.00 N ATOM 1542 CA THR A 103 1.361 -6.451 -10.489 1.00 0.00 C ATOM 1543 C THR A 103 0.410 -7.090 -11.506 1.00 0.00 C ATOM 1544 O THR A 103 -0.119 -6.397 -12.385 1.00 0.00 O ATOM 1545 CB THR A 103 0.986 -6.743 -9.022 1.00 0.00 C ATOM 1546 OG1 THR A 103 1.416 -5.691 -8.171 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.689 -7.981 -8.493 1.00 0.00 C ATOM 0 H THR A 103 0.437 -4.587 -10.597 1.00 0.00 H new ATOM 0 HA THR A 103 2.346 -6.888 -10.656 1.00 0.00 H new ATOM 0 HB THR A 103 -0.097 -6.867 -9.018 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.166 -5.896 -7.246 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.397 -8.150 -7.457 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.407 -8.845 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.768 -7.838 -8.547 1.00 0.00 H new ATOM 1555 N ALA A 104 0.143 -8.394 -11.402 1.00 0.00 N ATOM 1556 CA ALA A 104 -0.922 -9.023 -12.166 1.00 0.00 C ATOM 1557 C ALA A 104 -2.234 -8.275 -11.955 1.00 0.00 C ATOM 1558 O ALA A 104 -2.959 -8.027 -12.920 1.00 0.00 O ATOM 1559 CB ALA A 104 -1.107 -10.487 -11.776 1.00 0.00 C ATOM 0 H ALA A 104 0.655 -9.032 -10.792 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.637 -8.982 -13.217 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.912 -10.922 -12.368 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.182 -11.033 -11.963 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.359 -10.552 -10.718 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.542 -7.915 -10.704 1.00 0.00 N ATOM 1566 CA LYS A 105 -3.829 -7.318 -10.378 1.00 0.00 C ATOM 1567 C LYS A 105 -4.098 -6.013 -11.130 1.00 0.00 C ATOM 1568 O LYS A 105 -5.068 -5.947 -11.890 1.00 0.00 O ATOM 1569 CB LYS A 105 -3.992 -7.174 -8.857 1.00 0.00 C ATOM 1570 CG LYS A 105 -5.200 -7.968 -8.361 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.565 -7.489 -8.880 1.00 0.00 C ATOM 1572 CE LYS A 105 -7.565 -8.647 -8.933 1.00 0.00 C ATOM 1573 NZ LYS A 105 -7.430 -9.453 -10.159 1.00 0.00 N ATOM 0 H LYS A 105 -1.915 -8.029 -9.907 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.599 -8.004 -10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.090 -7.525 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.112 -6.122 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.069 -9.012 -8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.213 -7.934 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.949 -6.701 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.450 -7.057 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.421 -9.288 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.579 -8.251 -8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.129 -10.223 -10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.594 -8.850 -10.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.472 -9.855 -10.206 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.325 -4.970 -10.835 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.375 -3.634 -11.436 1.00 0.00 C ATOM 1589 C GLN A 106 -2.095 -2.884 -11.041 1.00 0.00 C ATOM 1590 O GLN A 106 -1.210 -3.453 -10.394 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.646 -2.845 -11.054 1.00 0.00 C ATOM 1592 CG GLN A 106 -5.071 -2.967 -9.616 1.00 0.00 C ATOM 1593 CD GLN A 106 -6.330 -2.142 -9.359 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -6.289 -1.347 -8.321 1.00 0.00 O flip ATOM 1595 NE2 GLN A 106 -7.340 -2.201 -10.056 1.00 0.00 N flip ATOM 0 H GLN A 106 -2.598 -5.038 -10.123 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.428 -3.738 -12.520 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.481 -1.791 -11.279 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.467 -3.181 -11.688 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.259 -4.013 -9.374 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.267 -2.628 -8.963 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.366 -2.823 -10.864 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.152 -1.628 -9.826 1.00 0.00 H new ATOM 1604 N THR A 107 -2.029 -1.597 -11.373 1.00 0.00 N ATOM 1605 CA THR A 107 -1.099 -0.630 -10.816 1.00 0.00 C ATOM 1606 C THR A 107 -1.841 0.189 -9.748 1.00 0.00 C ATOM 1607 O THR A 107 -3.079 0.253 -9.727 1.00 0.00 O ATOM 1608 CB THR A 107 -0.443 0.180 -11.960 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.389 1.219 -11.508 1.00 0.00 O ATOM 1610 CG2 THR A 107 -1.435 0.846 -12.901 1.00 0.00 C ATOM 0 H THR A 107 -2.652 -1.186 -12.069 1.00 0.00 H new ATOM 0 HA THR A 107 -0.260 -1.099 -10.303 1.00 0.00 H new ATOM 0 HB THR A 107 0.127 -0.590 -12.480 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.910 0.909 -10.738 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.893 1.393 -13.673 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.062 0.085 -13.367 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.062 1.538 -12.339 1.00 0.00 H new ATOM 1618 N LEU A 108 -1.080 0.778 -8.827 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.523 1.657 -7.753 1.00 0.00 C ATOM 1620 C LEU A 108 -0.400 2.661 -7.544 1.00 0.00 C ATOM 1621 O LEU A 108 0.767 2.267 -7.579 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.735 0.875 -6.440 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.952 -0.062 -6.402 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -2.973 -0.849 -5.089 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -4.242 0.749 -6.531 1.00 0.00 C ATOM 0 H LEU A 108 -0.069 0.643 -8.813 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.470 2.128 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.840 0.284 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.828 1.592 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.879 -0.760 -7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.840 -1.509 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.063 -1.443 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.031 -0.156 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.099 0.076 -6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.310 1.458 -5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.238 1.292 -7.476 1.00 0.00 H new ATOM 1637 N THR A 109 -0.731 3.921 -7.280 1.00 0.00 N ATOM 1638 CA THR A 109 0.248 4.992 -7.184 1.00 0.00 C ATOM 1639 C THR A 109 -0.010 5.750 -5.886 1.00 0.00 C ATOM 1640 O THR A 109 -1.144 6.164 -5.617 1.00 0.00 O ATOM 1641 CB THR A 109 0.151 5.879 -8.432 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.230 5.083 -9.601 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.275 6.909 -8.483 1.00 0.00 C ATOM 0 H THR A 109 -1.692 4.227 -7.126 1.00 0.00 H new ATOM 0 HA THR A 109 1.268 4.610 -7.152 1.00 0.00 H new ATOM 0 HB THR A 109 -0.806 6.399 -8.381 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.166 5.657 -10.393 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.171 7.517 -9.382 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.222 7.550 -7.603 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.237 6.397 -8.501 1.00 0.00 H new ATOM 1651 N TYR A 110 1.028 5.893 -5.062 1.00 0.00 N ATOM 1652 CA TYR A 110 0.950 6.512 -3.748 1.00 0.00 C ATOM 1653 C TYR A 110 1.961 7.659 -3.666 1.00 0.00 C ATOM 1654 O TYR A 110 2.964 7.671 -4.382 1.00 0.00 O ATOM 1655 CB TYR A 110 1.235 5.497 -2.626 1.00 0.00 C ATOM 1656 CG TYR A 110 0.360 4.263 -2.471 1.00 0.00 C ATOM 1657 CD1 TYR A 110 0.383 3.225 -3.423 1.00 0.00 C ATOM 1658 CD2 TYR A 110 -0.375 4.087 -1.282 1.00 0.00 C ATOM 1659 CE1 TYR A 110 -0.349 2.045 -3.201 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -1.120 2.919 -1.056 1.00 0.00 C ATOM 1661 CZ TYR A 110 -1.106 1.887 -2.017 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.793 0.735 -1.780 1.00 0.00 O ATOM 0 H TYR A 110 1.967 5.572 -5.300 1.00 0.00 H new ATOM 0 HA TYR A 110 -0.063 6.890 -3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.261 5.152 -2.755 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.198 6.040 -1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.965 3.336 -4.326 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.365 4.864 -0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.333 1.256 -3.938 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.700 2.811 -0.152 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.256 0.801 -0.919 1.00 0.00 H new ATOM 1672 N LYS A 111 1.746 8.599 -2.745 1.00 0.00 N ATOM 1673 CA LYS A 111 2.599 9.766 -2.552 1.00 0.00 C ATOM 1674 C LYS A 111 3.379 9.627 -1.260 1.00 0.00 C ATOM 1675 O LYS A 111 2.809 9.171 -0.269 1.00 0.00 O ATOM 1676 CB LYS A 111 1.702 11.007 -2.447 1.00 0.00 C ATOM 1677 CG LYS A 111 2.417 12.352 -2.644 1.00 0.00 C ATOM 1678 CD LYS A 111 3.319 12.419 -3.884 1.00 0.00 C ATOM 1679 CE LYS A 111 2.606 11.981 -5.176 1.00 0.00 C ATOM 1680 NZ LYS A 111 1.802 13.049 -5.807 1.00 0.00 N ATOM 0 H LYS A 111 0.956 8.567 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 111 3.293 9.854 -3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.907 10.925 -3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.225 11.008 -1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.668 13.141 -2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.020 12.561 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.684 13.439 -4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.192 11.785 -3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.351 11.631 -5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.957 11.135 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.353 12.681 -6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.068 13.369 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.419 13.849 -6.052 1.00 0.00 H new ATOM 1694 N LEU A 112 4.614 10.124 -1.239 1.00 0.00 N ATOM 1695 CA LEU A 112 5.410 10.330 -0.031 1.00 0.00 C ATOM 1696 C LEU A 112 4.876 11.576 0.700 1.00 0.00 C ATOM 1697 O LEU A 112 5.585 12.576 0.860 1.00 0.00 O ATOM 1698 CB LEU A 112 6.894 10.458 -0.439 1.00 0.00 C ATOM 1699 CG LEU A 112 7.889 10.589 0.731 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.095 9.281 1.490 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.229 11.099 0.187 1.00 0.00 C ATOM 0 H LEU A 112 5.104 10.403 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 112 5.332 9.490 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.168 9.585 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.002 11.329 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 112 7.468 11.296 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.806 9.439 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.143 8.946 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.483 8.523 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.941 11.196 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.615 10.393 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.084 12.071 -0.284 1.00 0.00 H new ATOM 1713 N ALA A 113 3.597 11.584 1.080 1.00 0.00 N ATOM 1714 CA ALA A 113 3.021 12.609 1.947 1.00 0.00 C ATOM 1715 C ALA A 113 3.417 12.289 3.389 1.00 0.00 C ATOM 1716 O ALA A 113 2.578 11.911 4.204 1.00 0.00 O ATOM 1717 CB ALA A 113 1.494 12.637 1.798 1.00 0.00 C ATOM 0 H ALA A 113 2.927 10.871 0.791 1.00 0.00 H new ATOM 0 HA ALA A 113 3.398 13.593 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.079 13.406 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.233 12.859 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.084 11.666 2.075 1.00 0.00 H new ATOM 1723 N ASP A 114 4.715 12.341 3.692 1.00 0.00 N ATOM 1724 CA ASP A 114 5.286 11.699 4.879 1.00 0.00 C ATOM 1725 C ASP A 114 5.180 12.554 6.138 1.00 0.00 C ATOM 1726 O ASP A 114 5.801 12.285 7.162 1.00 0.00 O ATOM 1727 CB ASP A 114 6.739 11.330 4.579 1.00 0.00 C ATOM 1728 CG ASP A 114 7.363 10.401 5.620 1.00 0.00 C ATOM 1729 OD1 ASP A 114 6.682 9.473 6.101 1.00 0.00 O ATOM 1730 OD2 ASP A 114 8.579 10.579 5.890 1.00 0.00 O ATOM 0 H ASP A 114 5.403 12.831 3.120 1.00 0.00 H new ATOM 0 HA ASP A 114 4.704 10.802 5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.789 10.851 3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 114 7.331 12.243 4.518 1.00 0.00 H new ATOM 1735 N LEU A 115 4.345 13.587 6.064 1.00 0.00 N ATOM 1736 CA LEU A 115 4.154 14.648 7.053 1.00 0.00 C ATOM 1737 C LEU A 115 5.436 15.452 7.294 1.00 0.00 C ATOM 1738 O LEU A 115 5.518 16.228 8.249 1.00 0.00 O ATOM 1739 CB LEU A 115 3.530 14.117 8.360 1.00 0.00 C ATOM 1740 CG LEU A 115 2.374 13.119 8.164 1.00 0.00 C ATOM 1741 CD1 LEU A 115 1.835 12.680 9.527 1.00 0.00 C ATOM 1742 CD2 LEU A 115 1.207 13.705 7.358 1.00 0.00 C ATOM 0 H LEU A 115 3.740 13.715 5.253 1.00 0.00 H new ATOM 0 HA LEU A 115 3.432 15.347 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.310 13.636 8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.166 14.963 8.943 1.00 0.00 H new ATOM 0 HG LEU A 115 2.784 12.277 7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.017 11.974 9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.632 12.202 10.097 1.00 0.00 H new ATOM 0 HD13 LEU A 115 1.471 13.551 10.072 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.424 12.954 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.808 14.576 7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.560 14.001 6.370 1.00 0.00 H new ATOM 1754 N MET A 116 6.420 15.325 6.406 1.00 0.00 N ATOM 1755 CA MET A 116 7.676 16.046 6.404 1.00 0.00 C ATOM 1756 C MET A 116 7.725 16.791 5.075 1.00 0.00 C ATOM 1757 O MET A 116 8.047 16.218 4.033 1.00 0.00 O ATOM 1758 CB MET A 116 8.828 15.052 6.604 1.00 0.00 C ATOM 1759 CG MET A 116 10.213 15.708 6.591 1.00 0.00 C ATOM 1760 SD MET A 116 10.526 16.888 7.935 1.00 0.00 S ATOM 1761 CE MET A 116 10.412 18.461 7.046 1.00 0.00 C ATOM 0 H MET A 116 6.350 14.674 5.624 1.00 0.00 H new ATOM 0 HA MET A 116 7.769 16.767 7.216 1.00 0.00 H new ATOM 0 HB2 MET A 116 8.689 14.534 7.553 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.785 14.297 5.819 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.969 14.924 6.635 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.344 16.223 5.639 1.00 0.00 H new ATOM 0 HE1 MET A 116 10.771 19.267 7.686 1.00 0.00 H new ATOM 0 HE2 MET A 116 11.022 18.414 6.144 1.00 0.00 H new ATOM 0 HE3 MET A 116 9.374 18.650 6.772 1.00 0.00 H new ATOM 1771 N ASN A 117 7.326 18.064 5.079 1.00 0.00 N ATOM 1772 CA ASN A 117 7.374 18.873 3.868 1.00 0.00 C ATOM 1773 C ASN A 117 8.838 19.114 3.516 1.00 0.00 C ATOM 1774 O ASN A 117 9.220 20.221 3.120 1.00 0.00 O ATOM 1775 CB ASN A 117 6.582 20.175 4.032 1.00 0.00 C ATOM 1776 CG ASN A 117 5.087 19.922 4.112 1.00 0.00 C ATOM 1777 OD1 ASN A 117 4.526 19.110 3.383 1.00 0.00 O ATOM 1778 ND2 ASN A 117 4.410 20.653 4.973 1.00 0.00 N ATOM 0 H ASN A 117 6.969 18.550 5.902 1.00 0.00 H new ATOM 0 HA ASN A 117 6.895 18.345 3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.912 20.689 4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.794 20.837 3.192 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.398 20.550 5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 117 4.898 21.322 5.569 1.00 0.00 H new TER 1785 ASN A 117