USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1141 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 117 SER OG : rot -94:sc= -1.16! USER MOD Set 1.2: A 130 HIS : +bothHN:sc= -13.2! C(o=-14!,f=-23!) USER MOD Set 2.1: A 97 GLN : amide:sc= -3.51! C(o=-2.5!,f=-15!) USER MOD Set 2.2: A 99 SER OG : rot 61:sc= 1.03 USER MOD Set 3.1: A 8 HIS : no HD1:sc= -2.52! C(o=-2.4!,f=-7.8!) USER MOD Set 3.2: A 12 LYS NZ :NH3+ -138:sc= 0.103 (180deg=-1.6!) USER MOD Set 4.1: A 6 SER OG : rot 180:sc= 0.653 USER MOD Set 4.2: A 125 THR OG1 : rot -93:sc= 0.719 USER MOD Set 5.1: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 13 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.0011) USER MOD Single : A 1 GLY N :NH3+ 168:sc= -0.0134 (180deg=-0.187) USER MOD Single : A 3 MET CE :methyl 173:sc= 0 (180deg=-0.0296) USER MOD Single : A 10 LYS NZ :NH3+ 127:sc= -0.123 (180deg=-0.456) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -93:sc= 1.14 USER MOD Single : A 19 THR OG1 : rot 180:sc=0.000433 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.73 F(o=-9.3!,f=-1.7) USER MOD Single : A 40 THR OG1 : rot 160:sc= -0.0477 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 46 ASN : amide:sc= -0.453 X(o=-0.45,f=-0.0022) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 176:sc= -1.45 (180deg=-1.52) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.751 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0852 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.189) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0451 F(o=-1.3,f=-0.045) USER MOD Single : A 69 ASN :FLIP amide:sc= -3.69! C(o=-6.1!,f=-3.7!) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.315 USER MOD Single : A 74 HIS : no HD1:sc= -0.848 K(o=-0.85,f=-2.3!) USER MOD Single : A 76 THR OG1 : rot -170:sc= -1.55 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.166 USER MOD Single : A 91 ASN : amide:sc= -2.4 K(o=-2.4,f=-3.3!) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0795) USER MOD Single : A 95 THR OG1 : rot -56:sc= 0.778 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= -0.219 (180deg=-0.87) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.381 F(o=-3.8!,f=-0.38) USER MOD Single : A 109 THR OG1 : rot 76:sc= 0.0679 USER MOD Single : A 113 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -140:sc= -0.156 USER MOD Single : A 123 MET CE :methyl 167:sc= -0.0339 (180deg=-0.0697) USER MOD Single : A 124 THR OG1 : rot 4:sc= -1.96! USER MOD Single : A 126 ASN :FLIP amide:sc= -4.13! C(o=-7.8!,f=-4.1!) USER MOD Single : A 134 LYS NZ :NH3+ -107:sc= 1.1 (180deg=-1.15) USER MOD Single : A 137 TYR OH : rot -176:sc= -1.47 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.688 5.901 12.147 1.00 0.00 N ATOM 2 CA GLY A 1 -23.430 6.204 10.929 1.00 0.00 C ATOM 3 C GLY A 1 -22.722 7.278 10.112 1.00 0.00 C ATOM 4 O GLY A 1 -23.369 8.121 9.489 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.280 5.326 12.780 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.825 5.373 11.906 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.429 6.787 12.626 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.539 5.299 10.331 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.435 6.540 11.185 1.00 0.00 H new ATOM 8 N ALA A 2 -21.391 7.241 10.121 1.00 0.00 N ATOM 9 CA ALA A 2 -20.599 8.217 9.377 1.00 0.00 C ATOM 10 C ALA A 2 -19.848 7.542 8.235 1.00 0.00 C ATOM 11 O ALA A 2 -19.428 6.390 8.349 1.00 0.00 O ATOM 12 CB ALA A 2 -19.599 8.897 10.313 1.00 0.00 C ATOM 0 H ALA A 2 -20.841 6.550 10.632 1.00 0.00 H new ATOM 0 HA ALA A 2 -21.276 8.963 8.960 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.012 9.624 9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.137 9.405 11.113 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.935 8.147 10.742 1.00 0.00 H new ATOM 18 N MET A 3 -19.678 8.270 7.137 1.00 0.00 N ATOM 19 CA MET A 3 -18.971 7.731 5.981 1.00 0.00 C ATOM 20 C MET A 3 -18.515 8.858 5.060 1.00 0.00 C ATOM 21 O MET A 3 -19.312 9.706 4.658 1.00 0.00 O ATOM 22 CB MET A 3 -19.880 6.772 5.206 1.00 0.00 C ATOM 23 CG MET A 3 -19.084 6.074 4.095 1.00 0.00 C ATOM 24 SD MET A 3 -19.513 4.316 4.063 1.00 0.00 S ATOM 25 CE MET A 3 -21.161 4.497 3.335 1.00 0.00 C ATOM 0 H MET A 3 -20.016 9.226 7.023 1.00 0.00 H new ATOM 0 HA MET A 3 -18.095 7.189 6.337 1.00 0.00 H new ATOM 0 HB2 MET A 3 -20.301 6.030 5.884 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.717 7.321 4.775 1.00 0.00 H new ATOM 0 HG2 MET A 3 -19.306 6.532 3.131 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.015 6.196 4.267 1.00 0.00 H new ATOM 0 HE1 MET A 3 -21.569 3.512 3.108 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.817 5.007 4.041 1.00 0.00 H new ATOM 0 HE3 MET A 3 -21.091 5.081 2.417 1.00 0.00 H new ATOM 35 N GLU A 4 -17.227 8.860 4.729 1.00 0.00 N ATOM 36 CA GLU A 4 -16.674 9.888 3.855 1.00 0.00 C ATOM 37 C GLU A 4 -15.623 9.289 2.925 1.00 0.00 C ATOM 38 O GLU A 4 -15.529 8.071 2.788 1.00 0.00 O ATOM 39 CB GLU A 4 -16.049 11.002 4.703 1.00 0.00 C ATOM 40 CG GLU A 4 -16.846 12.290 4.516 1.00 0.00 C ATOM 41 CD GLU A 4 -16.217 13.412 5.335 1.00 0.00 C ATOM 42 OE1 GLU A 4 -16.030 13.215 6.525 1.00 0.00 O ATOM 43 OE2 GLU A 4 -15.930 14.449 4.762 1.00 0.00 O ATOM 0 H GLU A 4 -16.551 8.167 5.050 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.477 10.304 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.044 10.714 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.011 11.158 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.867 12.565 3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.880 12.137 4.826 1.00 0.00 H new ATOM 50 N LYS A 5 -14.836 10.155 2.292 1.00 0.00 N ATOM 51 CA LYS A 5 -13.793 9.705 1.381 1.00 0.00 C ATOM 52 C LYS A 5 -13.028 8.530 1.977 1.00 0.00 C ATOM 53 O LYS A 5 -12.021 8.713 2.662 1.00 0.00 O ATOM 54 CB LYS A 5 -12.825 10.854 1.093 1.00 0.00 C ATOM 55 CG LYS A 5 -13.448 11.817 0.078 1.00 0.00 C ATOM 56 CD LYS A 5 -12.862 11.543 -1.308 1.00 0.00 C ATOM 57 CE LYS A 5 -13.637 12.343 -2.356 1.00 0.00 C ATOM 58 NZ LYS A 5 -14.757 11.515 -2.885 1.00 0.00 N ATOM 0 H LYS A 5 -14.902 11.168 2.394 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.262 9.381 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.592 11.385 2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.885 10.461 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.531 11.692 0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.252 12.848 0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.808 11.820 -1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.917 10.478 -1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.026 13.260 -1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.973 12.637 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.284 12.059 -3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.375 10.652 -3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.395 11.256 -2.106 1.00 0.00 H new ATOM 72 N SER A 6 -13.513 7.321 1.710 1.00 0.00 N ATOM 73 CA SER A 6 -12.869 6.120 2.224 1.00 0.00 C ATOM 74 C SER A 6 -11.749 5.677 1.291 1.00 0.00 C ATOM 75 O SER A 6 -11.461 6.342 0.295 1.00 0.00 O ATOM 76 CB SER A 6 -13.893 4.993 2.362 1.00 0.00 C ATOM 77 OG SER A 6 -14.185 4.788 3.739 1.00 0.00 O ATOM 0 H SER A 6 -14.344 7.149 1.144 1.00 0.00 H new ATOM 0 HA SER A 6 -12.447 6.347 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.804 5.245 1.819 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.503 4.076 1.921 1.00 0.00 H new ATOM 0 HG SER A 6 -14.843 4.067 3.830 1.00 0.00 H new ATOM 83 N LEU A 7 -11.117 4.556 1.620 1.00 0.00 N ATOM 84 CA LEU A 7 -10.024 4.041 0.803 1.00 0.00 C ATOM 85 C LEU A 7 -10.486 3.813 -0.642 1.00 0.00 C ATOM 86 O LEU A 7 -9.977 4.433 -1.584 1.00 0.00 O ATOM 87 CB LEU A 7 -9.515 2.722 1.387 1.00 0.00 C ATOM 88 CG LEU A 7 -8.529 3.017 2.516 1.00 0.00 C ATOM 89 CD1 LEU A 7 -9.228 3.812 3.607 1.00 0.00 C ATOM 90 CD2 LEU A 7 -8.009 1.708 3.092 1.00 0.00 C ATOM 0 H LEU A 7 -11.340 3.991 2.439 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.220 4.777 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.350 2.131 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.030 2.130 0.611 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.693 3.597 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.524 4.022 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.597 4.751 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.065 3.234 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.306 1.919 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.843 1.125 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.505 1.141 2.309 1.00 0.00 H new ATOM 102 N HIS A 8 -11.462 2.920 -0.805 1.00 0.00 N ATOM 103 CA HIS A 8 -12.001 2.615 -2.128 1.00 0.00 C ATOM 104 C HIS A 8 -12.418 3.894 -2.840 1.00 0.00 C ATOM 105 O HIS A 8 -12.141 4.069 -4.025 1.00 0.00 O ATOM 106 CB HIS A 8 -13.206 1.682 -1.998 1.00 0.00 C ATOM 107 CG HIS A 8 -14.166 2.233 -0.977 1.00 0.00 C ATOM 108 ND1 HIS A 8 -15.045 3.264 -1.271 1.00 0.00 N ATOM 109 CD2 HIS A 8 -14.404 1.900 0.337 1.00 0.00 C ATOM 110 CE1 HIS A 8 -15.760 3.517 -0.160 1.00 0.00 C ATOM 111 NE2 HIS A 8 -15.410 2.715 0.850 1.00 0.00 N ATOM 0 H HIS A 8 -11.893 2.398 -0.042 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.225 2.123 -2.714 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.704 1.579 -2.962 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.877 0.686 -1.702 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.889 1.125 0.886 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.525 4.277 -0.092 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -15.797 2.702 1.794 1.00 0.00 H new ATOM 120 N GLU A 9 -13.084 4.783 -2.112 1.00 0.00 N ATOM 121 CA GLU A 9 -13.532 6.044 -2.693 1.00 0.00 C ATOM 122 C GLU A 9 -12.387 6.729 -3.431 1.00 0.00 C ATOM 123 O GLU A 9 -12.539 7.166 -4.572 1.00 0.00 O ATOM 124 CB GLU A 9 -14.060 6.967 -1.594 1.00 0.00 C ATOM 125 CG GLU A 9 -15.094 7.926 -2.189 1.00 0.00 C ATOM 126 CD GLU A 9 -16.482 7.299 -2.127 1.00 0.00 C ATOM 127 OE1 GLU A 9 -17.363 7.912 -1.547 1.00 0.00 O ATOM 128 OE2 GLU A 9 -16.644 6.215 -2.663 1.00 0.00 O ATOM 0 H GLU A 9 -13.324 4.657 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.332 5.833 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.511 6.378 -0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.239 7.530 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.087 8.868 -1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.836 8.157 -3.223 1.00 0.00 H new ATOM 135 N LYS A 10 -11.238 6.821 -2.770 1.00 0.00 N ATOM 136 CA LYS A 10 -10.075 7.456 -3.373 1.00 0.00 C ATOM 137 C LYS A 10 -9.656 6.712 -4.630 1.00 0.00 C ATOM 138 O LYS A 10 -9.568 7.301 -5.701 1.00 0.00 O ATOM 139 CB LYS A 10 -8.910 7.475 -2.381 1.00 0.00 C ATOM 140 CG LYS A 10 -7.834 8.446 -2.872 1.00 0.00 C ATOM 141 CD LYS A 10 -7.945 9.763 -2.102 1.00 0.00 C ATOM 142 CE LYS A 10 -6.933 10.766 -2.658 1.00 0.00 C ATOM 143 NZ LYS A 10 -7.308 11.126 -4.054 1.00 0.00 N ATOM 0 H LYS A 10 -11.089 6.467 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.342 8.479 -3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.264 7.776 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.491 6.474 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.845 8.011 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.952 8.626 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.955 10.163 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.760 9.593 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.910 11.660 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.931 10.337 -2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.366 12.161 -4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.589 10.763 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.231 10.706 -4.285 1.00 0.00 H new ATOM 157 N LEU A 11 -9.397 5.416 -4.489 1.00 0.00 N ATOM 158 CA LEU A 11 -8.981 4.602 -5.634 1.00 0.00 C ATOM 159 C LEU A 11 -10.003 4.683 -6.763 1.00 0.00 C ATOM 160 O LEU A 11 -9.645 4.690 -7.941 1.00 0.00 O ATOM 161 CB LEU A 11 -8.812 3.143 -5.206 1.00 0.00 C ATOM 162 CG LEU A 11 -7.968 3.081 -3.932 1.00 0.00 C ATOM 163 CD1 LEU A 11 -7.801 1.626 -3.498 1.00 0.00 C ATOM 164 CD2 LEU A 11 -6.590 3.694 -4.200 1.00 0.00 C ATOM 0 H LEU A 11 -9.465 4.909 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.029 4.991 -5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.787 2.689 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.332 2.573 -6.001 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.468 3.640 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.199 1.584 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.781 1.189 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.304 1.065 -4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.989 3.650 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.091 3.136 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.708 4.733 -4.507 1.00 0.00 H new ATOM 176 N LYS A 12 -11.276 4.740 -6.397 1.00 0.00 N ATOM 177 CA LYS A 12 -12.340 4.814 -7.388 1.00 0.00 C ATOM 178 C LYS A 12 -12.275 6.130 -8.153 1.00 0.00 C ATOM 179 O LYS A 12 -12.495 6.164 -9.364 1.00 0.00 O ATOM 180 CB LYS A 12 -13.699 4.684 -6.699 1.00 0.00 C ATOM 181 CG LYS A 12 -13.996 3.220 -6.381 1.00 0.00 C ATOM 182 CD LYS A 12 -15.000 3.138 -5.232 1.00 0.00 C ATOM 183 CE LYS A 12 -15.587 1.726 -5.176 1.00 0.00 C ATOM 184 NZ LYS A 12 -16.158 1.479 -3.822 1.00 0.00 N ATOM 0 H LYS A 12 -11.596 4.736 -5.428 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.210 3.995 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.706 5.271 -5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.480 5.089 -7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.396 2.720 -7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.076 2.702 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.511 3.379 -4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.795 3.870 -5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.361 1.612 -5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.814 0.990 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.910 0.518 -3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.771 2.172 -3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.193 1.574 -3.859 1.00 0.00 H new ATOM 198 N GLN A 13 -11.977 7.209 -7.445 1.00 0.00 N ATOM 199 CA GLN A 13 -11.890 8.519 -8.077 1.00 0.00 C ATOM 200 C GLN A 13 -10.512 8.727 -8.704 1.00 0.00 C ATOM 201 O GLN A 13 -10.365 9.485 -9.663 1.00 0.00 O ATOM 202 CB GLN A 13 -12.155 9.616 -7.045 1.00 0.00 C ATOM 203 CG GLN A 13 -12.262 10.980 -7.741 1.00 0.00 C ATOM 204 CD GLN A 13 -13.163 11.905 -6.933 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.083 12.511 -7.483 1.00 0.00 O ATOM 206 NE2 GLN A 13 -12.958 12.049 -5.653 1.00 0.00 N ATOM 0 H GLN A 13 -11.793 7.206 -6.442 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.643 8.570 -8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.077 9.402 -6.504 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.351 9.636 -6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.272 11.423 -7.846 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.663 10.854 -8.747 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.195 11.546 -5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.560 12.664 -5.106 1.00 0.00 H new ATOM 215 N ASP A 14 -9.508 8.053 -8.157 1.00 0.00 N ATOM 216 CA ASP A 14 -8.148 8.172 -8.668 1.00 0.00 C ATOM 217 C ASP A 14 -7.926 7.202 -9.829 1.00 0.00 C ATOM 218 O ASP A 14 -7.852 5.987 -9.639 1.00 0.00 O ATOM 219 CB ASP A 14 -7.150 7.880 -7.550 1.00 0.00 C ATOM 220 CG ASP A 14 -6.756 9.174 -6.845 1.00 0.00 C ATOM 221 OD1 ASP A 14 -5.606 9.290 -6.461 1.00 0.00 O ATOM 222 OD2 ASP A 14 -7.615 10.031 -6.700 1.00 0.00 O ATOM 0 H ASP A 14 -9.609 7.421 -7.363 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.998 9.189 -9.031 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.589 7.186 -6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.264 7.397 -7.961 1.00 0.00 H new ATOM 227 N LYS A 15 -7.823 7.747 -11.035 1.00 0.00 N ATOM 228 CA LYS A 15 -7.618 6.922 -12.220 1.00 0.00 C ATOM 229 C LYS A 15 -6.232 6.276 -12.212 1.00 0.00 C ATOM 230 O LYS A 15 -6.056 5.159 -12.698 1.00 0.00 O ATOM 231 CB LYS A 15 -7.774 7.774 -13.477 1.00 0.00 C ATOM 232 CG LYS A 15 -9.252 7.856 -13.860 1.00 0.00 C ATOM 233 CD LYS A 15 -9.434 8.880 -14.983 1.00 0.00 C ATOM 234 CE LYS A 15 -10.926 9.067 -15.269 1.00 0.00 C ATOM 235 NZ LYS A 15 -11.106 10.159 -16.268 1.00 0.00 N ATOM 0 H LYS A 15 -7.877 8.749 -11.218 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.367 6.130 -12.214 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.377 8.774 -13.302 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.199 7.341 -14.296 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.609 6.878 -14.184 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.848 8.142 -12.993 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.986 9.832 -14.697 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.920 8.543 -15.883 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.354 8.139 -15.648 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.456 9.310 -14.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.119 10.287 -16.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.712 11.044 -15.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.613 9.909 -17.149 1.00 0.00 H new ATOM 249 N ARG A 16 -5.257 6.983 -11.658 1.00 0.00 N ATOM 250 CA ARG A 16 -3.895 6.464 -11.591 1.00 0.00 C ATOM 251 C ARG A 16 -3.876 5.109 -10.891 1.00 0.00 C ATOM 252 O ARG A 16 -2.954 4.316 -11.086 1.00 0.00 O ATOM 253 CB ARG A 16 -2.993 7.449 -10.846 1.00 0.00 C ATOM 254 CG ARG A 16 -3.610 7.783 -9.490 1.00 0.00 C ATOM 255 CD ARG A 16 -3.765 9.299 -9.343 1.00 0.00 C ATOM 256 NE ARG A 16 -2.453 9.928 -9.282 1.00 0.00 N ATOM 257 CZ ARG A 16 -2.327 11.245 -9.181 1.00 0.00 C ATOM 258 NH1 ARG A 16 -3.389 12.003 -9.164 1.00 0.00 N ATOM 259 NH2 ARG A 16 -1.141 11.781 -9.093 1.00 0.00 N ATOM 0 H ARG A 16 -5.380 7.910 -11.251 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.521 6.338 -12.607 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.001 7.018 -10.709 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.867 8.358 -11.434 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.582 7.299 -9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.981 7.394 -8.689 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.331 9.699 -10.185 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.331 9.530 -8.440 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.616 9.346 -9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.316 11.583 -9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.292 13.015 -9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.311 11.188 -9.102 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.043 12.793 -9.015 1.00 0.00 H new ATOM 273 N PHE A 17 -4.899 4.847 -10.079 1.00 0.00 N ATOM 274 CA PHE A 17 -4.987 3.579 -9.358 1.00 0.00 C ATOM 275 C PHE A 17 -6.069 2.693 -9.954 1.00 0.00 C ATOM 276 O PHE A 17 -6.600 1.808 -9.280 1.00 0.00 O ATOM 277 CB PHE A 17 -5.274 3.835 -7.872 1.00 0.00 C ATOM 278 CG PHE A 17 -4.272 4.827 -7.303 1.00 0.00 C ATOM 279 CD1 PHE A 17 -2.903 4.730 -7.610 1.00 0.00 C ATOM 280 CD2 PHE A 17 -4.721 5.859 -6.467 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.001 5.653 -7.083 1.00 0.00 C ATOM 282 CE2 PHE A 17 -3.808 6.781 -5.937 1.00 0.00 C ATOM 283 CZ PHE A 17 -2.450 6.678 -6.249 1.00 0.00 C ATOM 0 H PHE A 17 -5.672 5.490 -9.905 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.031 3.064 -9.452 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.286 4.221 -7.752 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.222 2.898 -7.318 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.550 3.939 -8.255 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.772 5.944 -6.231 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.950 5.575 -7.321 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.154 7.571 -5.287 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.748 7.392 -5.845 1.00 0.00 H new ATOM 293 N SER A 18 -6.376 2.916 -11.223 1.00 0.00 N ATOM 294 CA SER A 18 -7.378 2.119 -11.900 1.00 0.00 C ATOM 295 C SER A 18 -6.995 0.639 -11.866 1.00 0.00 C ATOM 296 O SER A 18 -7.828 -0.233 -11.599 1.00 0.00 O ATOM 297 CB SER A 18 -7.499 2.589 -13.349 1.00 0.00 C ATOM 298 OG SER A 18 -6.223 2.999 -13.824 1.00 0.00 O ATOM 0 H SER A 18 -5.946 3.639 -11.799 1.00 0.00 H new ATOM 0 HA SER A 18 -8.335 2.241 -11.392 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.889 1.784 -13.972 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.206 3.416 -13.416 1.00 0.00 H new ATOM 0 HG SER A 18 -6.116 3.963 -13.685 1.00 0.00 H new ATOM 304 N THR A 19 -5.725 0.360 -12.136 1.00 0.00 N ATOM 305 CA THR A 19 -5.250 -1.017 -12.136 1.00 0.00 C ATOM 306 C THR A 19 -5.600 -1.698 -10.819 1.00 0.00 C ATOM 307 O THR A 19 -6.081 -2.833 -10.802 1.00 0.00 O ATOM 308 CB THR A 19 -3.734 -1.051 -12.357 1.00 0.00 C ATOM 309 OG1 THR A 19 -3.400 -0.219 -13.459 1.00 0.00 O ATOM 310 CG2 THR A 19 -3.295 -2.484 -12.648 1.00 0.00 C ATOM 0 H THR A 19 -5.015 1.059 -12.355 1.00 0.00 H new ATOM 0 HA THR A 19 -5.739 -1.554 -12.949 1.00 0.00 H new ATOM 0 HB THR A 19 -3.226 -0.691 -11.462 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.431 -0.238 -13.601 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.217 -2.509 -12.805 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.554 -3.122 -11.803 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.801 -2.845 -13.544 1.00 0.00 H new ATOM 318 N PHE A 20 -5.363 -0.997 -9.719 1.00 0.00 N ATOM 319 CA PHE A 20 -5.662 -1.535 -8.399 1.00 0.00 C ATOM 320 C PHE A 20 -7.115 -1.943 -8.317 1.00 0.00 C ATOM 321 O PHE A 20 -7.441 -3.039 -7.877 1.00 0.00 O ATOM 322 CB PHE A 20 -5.357 -0.483 -7.325 1.00 0.00 C ATOM 323 CG PHE A 20 -4.089 -0.843 -6.588 1.00 0.00 C ATOM 324 CD1 PHE A 20 -4.030 -0.711 -5.194 1.00 0.00 C ATOM 325 CD2 PHE A 20 -2.976 -1.308 -7.295 1.00 0.00 C ATOM 326 CE1 PHE A 20 -2.857 -1.039 -4.510 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.799 -1.639 -6.609 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.743 -1.507 -5.216 1.00 0.00 C ATOM 0 H PHE A 20 -4.966 -0.057 -9.714 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.039 -2.413 -8.229 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.252 0.499 -7.787 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.188 -0.418 -6.623 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.892 -0.356 -4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.023 -1.412 -8.369 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.810 -0.931 -3.436 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.937 -1.995 -7.154 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.839 -1.767 -4.686 1.00 0.00 H new ATOM 338 N LEU A 21 -7.991 -1.058 -8.748 1.00 0.00 N ATOM 339 CA LEU A 21 -9.413 -1.347 -8.705 1.00 0.00 C ATOM 340 C LEU A 21 -9.709 -2.623 -9.466 1.00 0.00 C ATOM 341 O LEU A 21 -10.588 -3.392 -9.101 1.00 0.00 O ATOM 342 CB LEU A 21 -10.206 -0.183 -9.314 1.00 0.00 C ATOM 343 CG LEU A 21 -11.465 0.099 -8.474 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.247 1.231 -9.105 1.00 0.00 C ATOM 345 CD2 LEU A 21 -12.344 -1.154 -8.423 1.00 0.00 C ATOM 0 H LEU A 21 -7.749 -0.143 -9.128 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.712 -1.476 -7.665 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.581 0.709 -9.357 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.490 -0.423 -10.339 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.168 0.375 -7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.139 1.432 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.626 2.126 -9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.540 0.951 -10.117 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.234 -0.950 -7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.640 -1.432 -9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.784 -1.973 -7.971 1.00 0.00 H new ATOM 357 N SER A 22 -8.960 -2.845 -10.537 1.00 0.00 N ATOM 358 CA SER A 22 -9.176 -4.035 -11.362 1.00 0.00 C ATOM 359 C SER A 22 -8.772 -5.330 -10.658 1.00 0.00 C ATOM 360 O SER A 22 -9.574 -6.248 -10.505 1.00 0.00 O ATOM 361 CB SER A 22 -8.387 -3.910 -12.657 1.00 0.00 C ATOM 362 OG SER A 22 -9.250 -4.163 -13.754 1.00 0.00 O ATOM 0 H SER A 22 -8.209 -2.232 -10.855 1.00 0.00 H new ATOM 0 HA SER A 22 -10.246 -4.090 -11.561 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.957 -2.912 -12.740 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.557 -4.617 -12.661 1.00 0.00 H new ATOM 0 HG SER A 22 -8.747 -4.082 -14.591 1.00 0.00 H new ATOM 368 N LEU A 23 -7.520 -5.399 -10.257 1.00 0.00 N ATOM 369 CA LEU A 23 -7.001 -6.586 -9.591 1.00 0.00 C ATOM 370 C LEU A 23 -7.609 -6.781 -8.198 1.00 0.00 C ATOM 371 O LEU A 23 -7.975 -7.902 -7.824 1.00 0.00 O ATOM 372 CB LEU A 23 -5.480 -6.475 -9.462 1.00 0.00 C ATOM 373 CG LEU A 23 -5.090 -5.116 -8.834 1.00 0.00 C ATOM 374 CD1 LEU A 23 -4.810 -5.272 -7.341 1.00 0.00 C ATOM 375 CD2 LEU A 23 -3.835 -4.579 -9.521 1.00 0.00 C ATOM 0 H LEU A 23 -6.839 -4.650 -10.378 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.274 -7.448 -10.199 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.100 -7.290 -8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.017 -6.575 -10.444 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.920 -4.422 -8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.538 -4.305 -6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.703 -5.648 -6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.990 -5.975 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.560 -3.621 -9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.017 -5.288 -9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.032 -4.444 -10.585 1.00 0.00 H new ATOM 387 N LEU A 24 -7.702 -5.707 -7.437 1.00 0.00 N ATOM 388 CA LEU A 24 -8.243 -5.795 -6.100 1.00 0.00 C ATOM 389 C LEU A 24 -9.718 -6.187 -6.159 1.00 0.00 C ATOM 390 O LEU A 24 -10.217 -6.857 -5.254 1.00 0.00 O ATOM 391 CB LEU A 24 -8.056 -4.453 -5.374 1.00 0.00 C ATOM 392 CG LEU A 24 -9.292 -3.560 -5.574 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.426 -3.952 -4.632 1.00 0.00 C ATOM 394 CD2 LEU A 24 -8.920 -2.121 -5.279 1.00 0.00 C ATOM 0 H LEU A 24 -7.412 -4.772 -7.721 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.710 -6.564 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.893 -4.627 -4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.168 -3.947 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.626 -3.682 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.282 -3.299 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.715 -4.986 -4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.092 -3.851 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.793 -1.483 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.572 -2.039 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.127 -1.804 -5.956 1.00 0.00 H new ATOM 406 N GLU A 25 -10.413 -5.786 -7.227 1.00 0.00 N ATOM 407 CA GLU A 25 -11.814 -6.125 -7.361 1.00 0.00 C ATOM 408 C GLU A 25 -11.960 -7.588 -7.743 1.00 0.00 C ATOM 409 O GLU A 25 -12.894 -8.266 -7.304 1.00 0.00 O ATOM 410 CB GLU A 25 -12.445 -5.236 -8.436 1.00 0.00 C ATOM 411 CG GLU A 25 -13.847 -5.720 -8.750 1.00 0.00 C ATOM 412 CD GLU A 25 -14.588 -4.683 -9.588 1.00 0.00 C ATOM 413 OE1 GLU A 25 -14.268 -4.558 -10.760 1.00 0.00 O ATOM 414 OE2 GLU A 25 -15.464 -4.031 -9.048 1.00 0.00 O ATOM 0 H GLU A 25 -10.028 -5.236 -7.995 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.321 -5.961 -6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.477 -4.202 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.834 -5.253 -9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.801 -6.667 -9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.391 -5.906 -7.824 1.00 0.00 H new ATOM 421 N ALA A 26 -11.032 -8.075 -8.557 1.00 0.00 N ATOM 422 CA ALA A 26 -11.067 -9.467 -8.990 1.00 0.00 C ATOM 423 C ALA A 26 -11.023 -10.391 -7.782 1.00 0.00 C ATOM 424 O ALA A 26 -11.747 -11.384 -7.719 1.00 0.00 O ATOM 425 CB ALA A 26 -9.876 -9.766 -9.903 1.00 0.00 C ATOM 0 H ALA A 26 -10.252 -7.533 -8.928 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.993 -9.636 -9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.913 -10.808 -10.220 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.918 -9.119 -10.779 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.948 -9.584 -9.361 1.00 0.00 H new ATOM 431 N ALA A 27 -10.170 -10.050 -6.821 1.00 0.00 N ATOM 432 CA ALA A 27 -10.045 -10.860 -5.615 1.00 0.00 C ATOM 433 C ALA A 27 -11.236 -10.636 -4.699 1.00 0.00 C ATOM 434 O ALA A 27 -11.455 -11.419 -3.784 1.00 0.00 O ATOM 435 CB ALA A 27 -8.761 -10.516 -4.868 1.00 0.00 C ATOM 0 H ALA A 27 -9.563 -9.231 -6.852 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.014 -11.907 -5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.686 -11.131 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.903 -10.708 -5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.775 -9.463 -4.586 1.00 0.00 H new ATOM 441 N ASP A 28 -12.009 -9.569 -4.964 1.00 0.00 N ATOM 442 CA ASP A 28 -13.198 -9.244 -4.159 1.00 0.00 C ATOM 443 C ASP A 28 -12.807 -8.465 -2.891 1.00 0.00 C ATOM 444 O ASP A 28 -13.453 -8.565 -1.843 1.00 0.00 O ATOM 445 CB ASP A 28 -13.968 -10.534 -3.801 1.00 0.00 C ATOM 446 CG ASP A 28 -13.677 -10.995 -2.364 1.00 0.00 C ATOM 447 OD1 ASP A 28 -14.609 -11.443 -1.716 1.00 0.00 O ATOM 448 OD2 ASP A 28 -12.544 -10.872 -1.924 1.00 0.00 O ATOM 0 H ASP A 28 -11.832 -8.918 -5.729 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.853 -8.605 -4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.038 -10.362 -3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.694 -11.326 -4.499 1.00 0.00 H new ATOM 453 N LEU A 29 -11.747 -7.682 -2.986 1.00 0.00 N ATOM 454 CA LEU A 29 -11.289 -6.926 -1.830 1.00 0.00 C ATOM 455 C LEU A 29 -11.960 -5.573 -1.745 1.00 0.00 C ATOM 456 O LEU A 29 -11.869 -4.892 -0.734 1.00 0.00 O ATOM 457 CB LEU A 29 -9.771 -6.751 -1.870 1.00 0.00 C ATOM 458 CG LEU A 29 -9.087 -8.010 -1.289 1.00 0.00 C ATOM 459 CD1 LEU A 29 -9.207 -8.052 0.234 1.00 0.00 C ATOM 460 CD2 LEU A 29 -9.729 -9.277 -1.861 1.00 0.00 C ATOM 0 H LEU A 29 -11.195 -7.553 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.562 -7.495 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.441 -6.586 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.481 -5.870 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.034 -7.964 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.717 -8.949 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.730 -7.170 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.260 -8.068 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.237 -10.155 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.788 -9.297 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.620 -9.282 -2.946 1.00 0.00 H new ATOM 472 N LYS A 30 -12.640 -5.205 -2.800 1.00 0.00 N ATOM 473 CA LYS A 30 -13.341 -3.939 -2.848 1.00 0.00 C ATOM 474 C LYS A 30 -14.281 -3.810 -1.662 1.00 0.00 C ATOM 475 O LYS A 30 -14.576 -2.705 -1.205 1.00 0.00 O ATOM 476 CB LYS A 30 -14.116 -3.835 -4.170 1.00 0.00 C ATOM 477 CG LYS A 30 -14.807 -5.169 -4.530 1.00 0.00 C ATOM 478 CD LYS A 30 -16.239 -5.146 -4.018 1.00 0.00 C ATOM 479 CE LYS A 30 -16.795 -6.568 -3.996 1.00 0.00 C ATOM 480 NZ LYS A 30 -18.170 -6.564 -4.559 1.00 0.00 N ATOM 0 H LYS A 30 -12.726 -5.767 -3.647 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.619 -3.124 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.864 -3.046 -4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.434 -3.550 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.797 -5.318 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.264 -6.004 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.272 -4.716 -3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.855 -4.513 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.153 -7.231 -4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.808 -6.950 -2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.553 -7.531 -4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.777 -5.943 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.143 -6.215 -5.538 1.00 0.00 H new ATOM 494 N GLU A 31 -14.746 -4.948 -1.168 1.00 0.00 N ATOM 495 CA GLU A 31 -15.648 -4.972 -0.028 1.00 0.00 C ATOM 496 C GLU A 31 -14.862 -4.905 1.264 1.00 0.00 C ATOM 497 O GLU A 31 -15.418 -4.629 2.315 1.00 0.00 O ATOM 498 CB GLU A 31 -16.523 -6.222 -0.049 1.00 0.00 C ATOM 499 CG GLU A 31 -17.941 -5.848 -0.489 1.00 0.00 C ATOM 500 CD GLU A 31 -18.667 -5.117 0.640 1.00 0.00 C ATOM 501 OE1 GLU A 31 -18.872 -3.920 0.512 1.00 0.00 O ATOM 502 OE2 GLU A 31 -19.012 -5.767 1.613 1.00 0.00 O ATOM 0 H GLU A 31 -14.512 -5.868 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.299 -4.100 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.103 -6.961 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.547 -6.678 0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.900 -5.215 -1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -18.493 -6.746 -0.765 1.00 0.00 H new ATOM 509 N LEU A 32 -13.568 -5.202 1.184 1.00 0.00 N ATOM 510 CA LEU A 32 -12.711 -5.185 2.355 1.00 0.00 C ATOM 511 C LEU A 32 -12.277 -3.765 2.698 1.00 0.00 C ATOM 512 O LEU A 32 -12.303 -3.348 3.849 1.00 0.00 O ATOM 513 CB LEU A 32 -11.488 -6.056 2.078 1.00 0.00 C ATOM 514 CG LEU A 32 -10.512 -5.939 3.244 1.00 0.00 C ATOM 515 CD1 LEU A 32 -9.939 -7.297 3.635 1.00 0.00 C ATOM 516 CD2 LEU A 32 -9.341 -5.037 2.880 1.00 0.00 C ATOM 0 H LEU A 32 -13.094 -5.457 0.318 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.265 -5.576 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.790 -7.095 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.006 -5.742 1.152 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.076 -5.521 4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.248 -7.174 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.750 -7.963 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.409 -7.727 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.658 -4.968 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.814 -5.453 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.711 -4.043 2.631 1.00 0.00 H new ATOM 528 N LEU A 33 -11.875 -3.027 1.692 1.00 0.00 N ATOM 529 CA LEU A 33 -11.428 -1.653 1.897 1.00 0.00 C ATOM 530 C LEU A 33 -12.442 -0.862 2.708 1.00 0.00 C ATOM 531 O LEU A 33 -12.185 0.272 3.111 1.00 0.00 O ATOM 532 CB LEU A 33 -11.216 -0.952 0.554 1.00 0.00 C ATOM 533 CG LEU A 33 -10.891 -1.983 -0.530 1.00 0.00 C ATOM 534 CD1 LEU A 33 -10.515 -1.281 -1.839 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.721 -2.858 -0.079 1.00 0.00 C ATOM 0 H LEU A 33 -11.845 -3.345 0.723 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.486 -1.695 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.112 -0.395 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.404 -0.230 0.636 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.773 -2.601 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.287 -2.028 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.349 -0.665 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.641 -0.650 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.494 -3.590 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.846 -2.233 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.988 -3.376 0.842 1.00 0.00 H new ATOM 547 N THR A 34 -13.595 -1.463 2.946 1.00 0.00 N ATOM 548 CA THR A 34 -14.634 -0.797 3.706 1.00 0.00 C ATOM 549 C THR A 34 -14.558 -1.181 5.174 1.00 0.00 C ATOM 550 O THR A 34 -14.946 -0.397 6.033 1.00 0.00 O ATOM 551 CB THR A 34 -16.010 -1.183 3.142 1.00 0.00 C ATOM 552 OG1 THR A 34 -16.962 -0.194 3.500 1.00 0.00 O ATOM 553 CG2 THR A 34 -16.456 -2.541 3.696 1.00 0.00 C ATOM 0 H THR A 34 -13.833 -2.402 2.627 1.00 0.00 H new ATOM 0 HA THR A 34 -14.490 0.280 3.622 1.00 0.00 H new ATOM 0 HB THR A 34 -15.937 -1.252 2.057 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.840 -0.439 3.139 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.433 -2.798 3.286 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.731 -3.305 3.414 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.522 -2.487 4.783 1.00 0.00 H new ATOM 561 N GLN A 35 -14.060 -2.401 5.430 1.00 0.00 N ATOM 562 CA GLN A 35 -13.957 -2.917 6.795 1.00 0.00 C ATOM 563 C GLN A 35 -13.685 -1.775 7.765 1.00 0.00 C ATOM 564 O GLN A 35 -12.535 -1.386 7.952 1.00 0.00 O ATOM 565 CB GLN A 35 -12.841 -3.965 6.894 1.00 0.00 C ATOM 566 CG GLN A 35 -13.465 -5.329 7.188 1.00 0.00 C ATOM 567 CD GLN A 35 -14.455 -5.725 6.094 1.00 0.00 C ATOM 568 OE1 GLN A 35 -14.571 -4.979 5.036 1.00 0.00 O flip ATOM 569 NE2 GLN A 35 -15.146 -6.736 6.215 1.00 0.00 N flip ATOM 0 H GLN A 35 -13.725 -3.042 4.711 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.903 -3.392 7.057 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.276 -4.002 5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.139 -3.694 7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.681 -6.083 7.264 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.974 -5.300 8.151 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.054 -7.320 7.046 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.811 -6.990 5.484 1.00 0.00 H new ATOM 578 N PRO A 36 -14.714 -1.209 8.350 1.00 0.00 N ATOM 579 CA PRO A 36 -14.566 -0.053 9.279 1.00 0.00 C ATOM 580 C PRO A 36 -13.448 -0.249 10.302 1.00 0.00 C ATOM 581 O PRO A 36 -13.521 -1.141 11.145 1.00 0.00 O ATOM 582 CB PRO A 36 -15.931 0.029 9.964 1.00 0.00 C ATOM 583 CG PRO A 36 -16.896 -0.535 8.977 1.00 0.00 C ATOM 584 CD PRO A 36 -16.134 -1.611 8.220 1.00 0.00 C ATOM 0 HA PRO A 36 -14.287 0.858 8.750 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.940 -0.540 10.894 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.183 1.059 10.218 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.769 -0.954 9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.258 0.238 8.299 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.309 -2.598 8.647 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.441 -1.656 7.175 1.00 0.00 H new ATOM 592 N GLY A 37 -12.413 0.590 10.225 1.00 0.00 N ATOM 593 CA GLY A 37 -11.295 0.496 11.155 1.00 0.00 C ATOM 594 C GLY A 37 -10.167 1.428 10.733 1.00 0.00 C ATOM 595 O GLY A 37 -10.384 2.379 9.983 1.00 0.00 O ATOM 0 H GLY A 37 -12.329 1.335 9.533 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.629 0.752 12.160 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.931 -0.531 11.192 1.00 0.00 H new ATOM 599 N ASP A 38 -8.959 1.141 11.208 1.00 0.00 N ATOM 600 CA ASP A 38 -7.796 1.960 10.863 1.00 0.00 C ATOM 601 C ASP A 38 -6.663 1.069 10.381 1.00 0.00 C ATOM 602 O ASP A 38 -6.096 0.307 11.150 1.00 0.00 O ATOM 603 CB ASP A 38 -7.330 2.745 12.087 1.00 0.00 C ATOM 604 CG ASP A 38 -7.935 2.147 13.352 1.00 0.00 C ATOM 605 OD1 ASP A 38 -9.147 2.175 13.477 1.00 0.00 O ATOM 606 OD2 ASP A 38 -7.176 1.669 14.179 1.00 0.00 O ATOM 0 H ASP A 38 -8.758 0.356 11.827 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.078 2.654 10.071 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.242 2.724 12.150 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.624 3.790 11.992 1.00 0.00 H new ATOM 611 N TRP A 39 -6.350 1.170 9.093 1.00 0.00 N ATOM 612 CA TRP A 39 -5.289 0.356 8.500 1.00 0.00 C ATOM 613 C TRP A 39 -4.461 1.201 7.538 1.00 0.00 C ATOM 614 O TRP A 39 -4.845 2.323 7.203 1.00 0.00 O ATOM 615 CB TRP A 39 -5.877 -0.844 7.739 1.00 0.00 C ATOM 616 CG TRP A 39 -6.715 -1.689 8.651 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.833 -1.278 9.249 1.00 0.00 C ATOM 618 CD2 TRP A 39 -6.534 -3.075 9.051 1.00 0.00 C ATOM 619 NE1 TRP A 39 -8.356 -2.300 10.012 1.00 0.00 N ATOM 620 CE2 TRP A 39 -7.593 -3.441 9.912 1.00 0.00 C ATOM 621 CE3 TRP A 39 -5.571 -4.036 8.744 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -7.677 -4.711 10.467 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -5.647 -5.321 9.294 1.00 0.00 C ATOM 624 CH2 TRP A 39 -6.706 -5.663 10.146 1.00 0.00 C ATOM 0 H TRP A 39 -6.812 1.804 8.441 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.657 -0.014 9.307 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.482 -0.491 6.904 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.071 -1.444 7.317 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.264 -0.293 9.151 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.201 -2.221 10.578 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.760 -3.787 8.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -8.484 -4.960 11.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.887 -6.052 9.061 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -6.771 -6.661 10.554 1.00 0.00 H new ATOM 635 N THR A 40 -3.331 0.656 7.097 1.00 0.00 N ATOM 636 CA THR A 40 -2.454 1.366 6.174 1.00 0.00 C ATOM 637 C THR A 40 -2.231 0.532 4.923 1.00 0.00 C ATOM 638 O THR A 40 -1.885 -0.646 5.005 1.00 0.00 O ATOM 639 CB THR A 40 -1.104 1.661 6.846 1.00 0.00 C ATOM 640 OG1 THR A 40 -1.329 2.208 8.138 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.289 2.656 6.007 1.00 0.00 C ATOM 0 H THR A 40 -3.003 -0.272 7.363 1.00 0.00 H new ATOM 0 HA THR A 40 -2.927 2.308 5.898 1.00 0.00 H new ATOM 0 HB THR A 40 -0.543 0.730 6.928 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.522 2.100 8.684 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.664 2.852 6.499 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.107 2.235 5.018 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.845 3.588 5.907 1.00 0.00 H new ATOM 649 N LEU A 41 -2.439 1.153 3.766 1.00 0.00 N ATOM 650 CA LEU A 41 -2.266 0.463 2.492 1.00 0.00 C ATOM 651 C LEU A 41 -1.196 1.149 1.636 1.00 0.00 C ATOM 652 O LEU A 41 -1.084 2.381 1.619 1.00 0.00 O ATOM 653 CB LEU A 41 -3.605 0.442 1.744 1.00 0.00 C ATOM 654 CG LEU A 41 -3.788 1.767 0.979 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.083 1.728 -0.391 1.00 0.00 C ATOM 656 CD2 LEU A 41 -5.279 2.029 0.762 1.00 0.00 C ATOM 0 H LEU A 41 -2.726 2.128 3.684 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.936 -0.557 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.633 -0.398 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.425 0.300 2.448 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.343 2.564 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.232 2.678 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.016 1.557 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.501 0.921 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.409 2.966 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.711 1.213 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.781 2.095 1.727 1.00 0.00 H new ATOM 668 N PHE A 42 -0.413 0.342 0.922 1.00 0.00 N ATOM 669 CA PHE A 42 0.631 0.875 0.059 1.00 0.00 C ATOM 670 C PHE A 42 0.215 0.736 -1.392 1.00 0.00 C ATOM 671 O PHE A 42 0.038 -0.378 -1.890 1.00 0.00 O ATOM 672 CB PHE A 42 1.942 0.133 0.300 1.00 0.00 C ATOM 673 CG PHE A 42 2.761 0.885 1.325 1.00 0.00 C ATOM 674 CD1 PHE A 42 2.179 1.286 2.536 1.00 0.00 C ATOM 675 CD2 PHE A 42 4.103 1.179 1.067 1.00 0.00 C ATOM 676 CE1 PHE A 42 2.940 1.980 3.483 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.860 1.872 2.014 1.00 0.00 C ATOM 678 CZ PHE A 42 4.281 2.272 3.221 1.00 0.00 C ATOM 0 H PHE A 42 -0.483 -0.676 0.926 1.00 0.00 H new ATOM 0 HA PHE A 42 0.779 1.930 0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.741 -0.880 0.650 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.499 0.043 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.143 1.059 2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.554 0.870 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.491 2.290 4.415 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.896 2.100 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.870 2.807 3.951 1.00 0.00 H new ATOM 688 N VAL A 43 0.050 1.874 -2.059 1.00 0.00 N ATOM 689 CA VAL A 43 -0.366 1.873 -3.458 1.00 0.00 C ATOM 690 C VAL A 43 0.713 2.491 -4.367 1.00 0.00 C ATOM 691 O VAL A 43 1.014 3.678 -4.251 1.00 0.00 O ATOM 692 CB VAL A 43 -1.663 2.661 -3.623 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.583 4.014 -2.914 1.00 0.00 C ATOM 694 CG2 VAL A 43 -1.922 2.890 -5.113 1.00 0.00 C ATOM 0 H VAL A 43 0.196 2.801 -1.659 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.520 0.835 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.475 2.087 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.521 4.552 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.405 3.857 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.766 4.598 -3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.847 3.452 -5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.094 3.452 -5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.010 1.929 -5.619 1.00 0.00 H new ATOM 704 N PRO A 44 1.289 1.734 -5.272 1.00 0.00 N ATOM 705 CA PRO A 44 2.325 2.255 -6.205 1.00 0.00 C ATOM 706 C PRO A 44 1.701 2.921 -7.430 1.00 0.00 C ATOM 707 O PRO A 44 0.706 2.436 -7.970 1.00 0.00 O ATOM 708 CB PRO A 44 3.090 0.992 -6.599 1.00 0.00 C ATOM 709 CG PRO A 44 2.102 -0.116 -6.519 1.00 0.00 C ATOM 710 CD PRO A 44 1.038 0.305 -5.515 1.00 0.00 C ATOM 0 HA PRO A 44 2.953 3.024 -5.755 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.500 1.080 -7.605 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.930 0.817 -5.927 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.657 -0.306 -7.495 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.585 -1.041 -6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.035 0.142 -5.910 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.115 -0.272 -4.593 1.00 0.00 H new ATOM 718 N THR A 45 2.282 4.037 -7.863 1.00 0.00 N ATOM 719 CA THR A 45 1.762 4.755 -9.019 1.00 0.00 C ATOM 720 C THR A 45 2.101 4.022 -10.320 1.00 0.00 C ATOM 721 O THR A 45 2.738 2.967 -10.315 1.00 0.00 O ATOM 722 CB THR A 45 2.354 6.164 -9.055 1.00 0.00 C ATOM 723 OG1 THR A 45 3.635 6.152 -8.437 1.00 0.00 O ATOM 724 CG2 THR A 45 1.433 7.122 -8.300 1.00 0.00 C ATOM 0 H THR A 45 3.106 4.459 -7.434 1.00 0.00 H new ATOM 0 HA THR A 45 0.677 4.811 -8.930 1.00 0.00 H new ATOM 0 HB THR A 45 2.451 6.494 -10.089 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.018 7.054 -8.460 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.854 8.127 -8.325 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.450 7.129 -8.771 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.337 6.794 -7.265 1.00 0.00 H new ATOM 732 N ASN A 46 1.673 4.587 -11.437 1.00 0.00 N ATOM 733 CA ASN A 46 1.941 3.978 -12.732 1.00 0.00 C ATOM 734 C ASN A 46 3.444 3.911 -12.986 1.00 0.00 C ATOM 735 O ASN A 46 3.948 2.937 -13.548 1.00 0.00 O ATOM 736 CB ASN A 46 1.267 4.788 -13.839 1.00 0.00 C ATOM 737 CG ASN A 46 1.153 3.947 -15.106 1.00 0.00 C ATOM 738 OD1 ASN A 46 0.060 3.514 -15.468 1.00 0.00 O ATOM 739 ND2 ASN A 46 2.225 3.687 -15.802 1.00 0.00 N ATOM 0 H ASN A 46 1.143 5.458 -11.475 1.00 0.00 H new ATOM 0 HA ASN A 46 1.538 2.965 -12.731 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.277 5.108 -13.515 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.843 5.691 -14.043 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.159 3.123 -16.649 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.130 4.048 -15.499 1.00 0.00 H new ATOM 746 N ASP A 47 4.156 4.953 -12.570 1.00 0.00 N ATOM 747 CA ASP A 47 5.600 5.000 -12.761 1.00 0.00 C ATOM 748 C ASP A 47 6.279 3.831 -12.053 1.00 0.00 C ATOM 749 O ASP A 47 7.405 3.461 -12.383 1.00 0.00 O ATOM 750 CB ASP A 47 6.157 6.320 -12.224 1.00 0.00 C ATOM 751 CG ASP A 47 6.174 7.368 -13.330 1.00 0.00 C ATOM 752 OD1 ASP A 47 5.306 8.227 -13.319 1.00 0.00 O ATOM 753 OD2 ASP A 47 7.053 7.300 -14.173 1.00 0.00 O ATOM 0 H ASP A 47 3.761 5.769 -12.103 1.00 0.00 H new ATOM 0 HA ASP A 47 5.805 4.927 -13.829 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.547 6.669 -11.391 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.166 6.169 -11.840 1.00 0.00 H new ATOM 758 N ALA A 48 5.587 3.253 -11.078 1.00 0.00 N ATOM 759 CA ALA A 48 6.128 2.127 -10.332 1.00 0.00 C ATOM 760 C ALA A 48 5.756 0.811 -10.991 1.00 0.00 C ATOM 761 O ALA A 48 6.505 -0.160 -10.923 1.00 0.00 O ATOM 762 CB ALA A 48 5.575 2.156 -8.925 1.00 0.00 C ATOM 0 H ALA A 48 4.654 3.545 -10.788 1.00 0.00 H new ATOM 0 HA ALA A 48 7.215 2.209 -10.314 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.976 1.315 -8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.862 3.089 -8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.488 2.085 -8.960 1.00 0.00 H new ATOM 768 N PHE A 49 4.591 0.786 -11.625 1.00 0.00 N ATOM 769 CA PHE A 49 4.130 -0.431 -12.279 1.00 0.00 C ATOM 770 C PHE A 49 4.975 -0.723 -13.516 1.00 0.00 C ATOM 771 O PHE A 49 5.105 -1.877 -13.938 1.00 0.00 O ATOM 772 CB PHE A 49 2.661 -0.287 -12.692 1.00 0.00 C ATOM 773 CG PHE A 49 2.513 -0.629 -14.155 1.00 0.00 C ATOM 774 CD1 PHE A 49 2.564 0.384 -15.120 1.00 0.00 C ATOM 775 CD2 PHE A 49 2.330 -1.960 -14.550 1.00 0.00 C ATOM 776 CE1 PHE A 49 2.432 0.067 -16.477 1.00 0.00 C ATOM 777 CE2 PHE A 49 2.196 -2.277 -15.908 1.00 0.00 C ATOM 778 CZ PHE A 49 2.248 -1.263 -16.872 1.00 0.00 C ATOM 0 H PHE A 49 3.957 1.581 -11.700 1.00 0.00 H new ATOM 0 HA PHE A 49 4.229 -1.256 -11.574 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.036 -0.946 -12.089 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.319 0.732 -12.509 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.705 1.411 -14.817 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.292 -2.743 -13.807 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.472 0.850 -17.220 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.053 -3.304 -16.211 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.146 -1.507 -17.919 1.00 0.00 H new ATOM 788 N LYS A 50 5.553 0.329 -14.084 1.00 0.00 N ATOM 789 CA LYS A 50 6.390 0.184 -15.272 1.00 0.00 C ATOM 790 C LYS A 50 7.618 -0.661 -14.957 1.00 0.00 C ATOM 791 O LYS A 50 8.517 -0.220 -14.240 1.00 0.00 O ATOM 792 CB LYS A 50 6.839 1.556 -15.764 1.00 0.00 C ATOM 793 CG LYS A 50 5.630 2.322 -16.319 1.00 0.00 C ATOM 794 CD LYS A 50 5.970 3.808 -16.486 1.00 0.00 C ATOM 795 CE LYS A 50 6.521 4.052 -17.891 1.00 0.00 C ATOM 796 NZ LYS A 50 7.145 5.403 -17.946 1.00 0.00 N ATOM 0 H LYS A 50 5.459 1.286 -13.745 1.00 0.00 H new ATOM 0 HA LYS A 50 5.804 -0.310 -16.047 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.294 2.116 -14.947 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.599 1.446 -16.537 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.334 1.900 -17.279 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.780 2.210 -15.646 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.080 4.416 -16.323 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.704 4.110 -15.739 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.257 3.288 -18.144 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.720 3.978 -18.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.521 5.573 -18.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.431 6.125 -17.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.920 5.456 -17.254 1.00 0.00 H new ATOM 810 N GLY A 51 7.650 -1.872 -15.495 1.00 0.00 N ATOM 811 CA GLY A 51 8.774 -2.770 -15.263 1.00 0.00 C ATOM 812 C GLY A 51 8.299 -4.213 -15.143 1.00 0.00 C ATOM 813 O GLY A 51 9.008 -5.142 -15.526 1.00 0.00 O ATOM 0 H GLY A 51 6.916 -2.254 -16.091 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.488 -2.685 -16.082 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.297 -2.478 -14.352 1.00 0.00 H new ATOM 817 N MET A 52 7.093 -4.397 -14.606 1.00 0.00 N ATOM 818 CA MET A 52 6.542 -5.734 -14.442 1.00 0.00 C ATOM 819 C MET A 52 6.590 -6.505 -15.756 1.00 0.00 C ATOM 820 O MET A 52 5.743 -6.315 -16.630 1.00 0.00 O ATOM 821 CB MET A 52 5.099 -5.641 -13.958 1.00 0.00 C ATOM 822 CG MET A 52 4.980 -6.295 -12.582 1.00 0.00 C ATOM 823 SD MET A 52 6.036 -5.434 -11.388 1.00 0.00 S ATOM 824 CE MET A 52 4.896 -4.082 -11.010 1.00 0.00 C ATOM 0 H MET A 52 6.487 -3.643 -14.281 1.00 0.00 H new ATOM 0 HA MET A 52 7.144 -6.266 -13.705 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.789 -4.597 -13.905 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.434 -6.135 -14.666 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.943 -6.269 -12.247 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.269 -7.344 -12.644 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.322 -3.455 -10.227 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.732 -3.483 -11.906 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.945 -4.492 -10.669 1.00 0.00 H new ATOM 834 N THR A 53 7.582 -7.380 -15.887 1.00 0.00 N ATOM 835 CA THR A 53 7.726 -8.178 -17.098 1.00 0.00 C ATOM 836 C THR A 53 6.679 -9.284 -17.130 1.00 0.00 C ATOM 837 O THR A 53 6.136 -9.670 -16.093 1.00 0.00 O ATOM 838 CB THR A 53 9.127 -8.792 -17.159 1.00 0.00 C ATOM 839 OG1 THR A 53 9.223 -9.844 -16.209 1.00 0.00 O ATOM 840 CG2 THR A 53 10.165 -7.716 -16.838 1.00 0.00 C ATOM 0 H THR A 53 8.292 -7.553 -15.176 1.00 0.00 H new ATOM 0 HA THR A 53 7.581 -7.528 -17.961 1.00 0.00 H new ATOM 0 HB THR A 53 9.311 -9.188 -18.158 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.119 -10.239 -16.248 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.164 -8.150 -16.881 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.089 -6.908 -17.566 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.983 -7.322 -15.838 1.00 0.00 H new ATOM 848 N SER A 54 6.396 -9.790 -18.325 1.00 0.00 N ATOM 849 CA SER A 54 5.407 -10.852 -18.480 1.00 0.00 C ATOM 850 C SER A 54 5.685 -11.997 -17.504 1.00 0.00 C ATOM 851 O SER A 54 4.766 -12.636 -16.989 1.00 0.00 O ATOM 852 CB SER A 54 5.436 -11.385 -19.915 1.00 0.00 C ATOM 853 OG SER A 54 6.675 -11.039 -20.520 1.00 0.00 O ATOM 0 H SER A 54 6.833 -9.485 -19.195 1.00 0.00 H new ATOM 0 HA SER A 54 4.422 -10.438 -18.263 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.308 -12.467 -19.916 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.609 -10.966 -20.488 1.00 0.00 H new ATOM 0 HG SER A 54 6.697 -11.380 -21.438 1.00 0.00 H new ATOM 859 N GLU A 55 6.962 -12.251 -17.252 1.00 0.00 N ATOM 860 CA GLU A 55 7.346 -13.317 -16.340 1.00 0.00 C ATOM 861 C GLU A 55 7.231 -12.858 -14.891 1.00 0.00 C ATOM 862 O GLU A 55 6.782 -13.612 -14.028 1.00 0.00 O ATOM 863 CB GLU A 55 8.784 -13.750 -16.626 1.00 0.00 C ATOM 864 CG GLU A 55 9.054 -15.099 -15.957 1.00 0.00 C ATOM 865 CD GLU A 55 10.519 -15.484 -16.134 1.00 0.00 C ATOM 866 OE1 GLU A 55 11.296 -14.625 -16.518 1.00 0.00 O ATOM 867 OE2 GLU A 55 10.844 -16.633 -15.882 1.00 0.00 O ATOM 0 H GLU A 55 7.742 -11.738 -17.662 1.00 0.00 H new ATOM 0 HA GLU A 55 6.671 -14.159 -16.493 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.945 -13.827 -17.701 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.482 -13.001 -16.252 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.809 -15.044 -14.896 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.413 -15.865 -16.393 1.00 0.00 H new ATOM 874 N GLU A 56 7.640 -11.620 -14.633 1.00 0.00 N ATOM 875 CA GLU A 56 7.584 -11.071 -13.284 1.00 0.00 C ATOM 876 C GLU A 56 6.190 -11.232 -12.692 1.00 0.00 C ATOM 877 O GLU A 56 6.040 -11.528 -11.508 1.00 0.00 O ATOM 878 CB GLU A 56 7.958 -9.589 -13.305 1.00 0.00 C ATOM 879 CG GLU A 56 9.441 -9.433 -12.962 1.00 0.00 C ATOM 880 CD GLU A 56 9.850 -7.967 -13.065 1.00 0.00 C ATOM 881 OE1 GLU A 56 9.057 -7.123 -12.683 1.00 0.00 O ATOM 882 OE2 GLU A 56 10.951 -7.711 -13.525 1.00 0.00 O ATOM 0 H GLU A 56 8.012 -10.981 -15.336 1.00 0.00 H new ATOM 0 HA GLU A 56 8.295 -11.619 -12.665 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.755 -9.165 -14.289 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.348 -9.039 -12.589 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.630 -9.802 -11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.045 -10.036 -13.640 1.00 0.00 H new ATOM 889 N LYS A 57 5.174 -11.032 -13.522 1.00 0.00 N ATOM 890 CA LYS A 57 3.797 -11.158 -13.064 1.00 0.00 C ATOM 891 C LYS A 57 3.367 -12.625 -13.038 1.00 0.00 C ATOM 892 O LYS A 57 2.644 -13.050 -12.142 1.00 0.00 O ATOM 893 CB LYS A 57 2.866 -10.363 -13.984 1.00 0.00 C ATOM 894 CG LYS A 57 2.957 -10.911 -15.413 1.00 0.00 C ATOM 895 CD LYS A 57 2.028 -10.115 -16.333 1.00 0.00 C ATOM 896 CE LYS A 57 0.571 -10.554 -16.124 1.00 0.00 C ATOM 897 NZ LYS A 57 -0.240 -10.130 -17.295 1.00 0.00 N ATOM 0 H LYS A 57 5.276 -10.784 -14.506 1.00 0.00 H new ATOM 0 HA LYS A 57 3.734 -10.759 -12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.839 -10.430 -13.624 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.140 -9.308 -13.971 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.984 -10.846 -15.773 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.681 -11.965 -15.426 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.127 -9.049 -16.128 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.316 -10.268 -17.373 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.518 -11.636 -16.003 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.173 -10.111 -15.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.228 -10.425 -17.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.198 -9.095 -17.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.137 -10.573 -18.157 1.00 0.00 H new ATOM 911 N GLU A 58 3.798 -13.390 -14.041 1.00 0.00 N ATOM 912 CA GLU A 58 3.432 -14.786 -14.124 1.00 0.00 C ATOM 913 C GLU A 58 3.812 -15.525 -12.846 1.00 0.00 C ATOM 914 O GLU A 58 3.142 -16.472 -12.441 1.00 0.00 O ATOM 915 CB GLU A 58 4.135 -15.425 -15.322 1.00 0.00 C ATOM 916 CG GLU A 58 3.566 -16.819 -15.558 1.00 0.00 C ATOM 917 CD GLU A 58 4.027 -17.354 -16.912 1.00 0.00 C ATOM 918 OE1 GLU A 58 3.368 -18.239 -17.432 1.00 0.00 O ATOM 919 OE2 GLU A 58 5.032 -16.871 -17.407 1.00 0.00 O ATOM 0 H GLU A 58 4.397 -13.061 -14.798 1.00 0.00 H new ATOM 0 HA GLU A 58 2.352 -14.857 -14.250 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.997 -14.809 -16.210 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.208 -15.484 -15.139 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.890 -17.491 -14.764 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.477 -16.786 -15.523 1.00 0.00 H new ATOM 926 N ILE A 59 4.894 -15.083 -12.217 1.00 0.00 N ATOM 927 CA ILE A 59 5.362 -15.710 -10.987 1.00 0.00 C ATOM 928 C ILE A 59 4.457 -15.358 -9.809 1.00 0.00 C ATOM 929 O ILE A 59 4.292 -16.153 -8.885 1.00 0.00 O ATOM 930 CB ILE A 59 6.784 -15.247 -10.687 1.00 0.00 C ATOM 931 CG1 ILE A 59 7.736 -15.791 -11.758 1.00 0.00 C ATOM 932 CG2 ILE A 59 7.211 -15.775 -9.318 1.00 0.00 C ATOM 933 CD1 ILE A 59 8.912 -14.827 -11.955 1.00 0.00 C ATOM 0 H ILE A 59 5.461 -14.297 -12.536 1.00 0.00 H new ATOM 0 HA ILE A 59 5.341 -16.791 -11.127 1.00 0.00 H new ATOM 0 HB ILE A 59 6.818 -14.158 -10.687 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.106 -16.773 -11.462 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.201 -15.922 -12.699 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.227 -15.445 -9.102 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.535 -15.393 -8.553 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.176 -16.864 -9.321 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.583 -15.222 -12.718 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.536 -13.854 -12.271 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.455 -14.718 -11.016 1.00 0.00 H new ATOM 945 N LEU A 60 3.882 -14.165 -9.842 1.00 0.00 N ATOM 946 CA LEU A 60 3.010 -13.732 -8.760 1.00 0.00 C ATOM 947 C LEU A 60 1.615 -14.341 -8.903 1.00 0.00 C ATOM 948 O LEU A 60 0.958 -14.657 -7.905 1.00 0.00 O ATOM 949 CB LEU A 60 2.895 -12.210 -8.755 1.00 0.00 C ATOM 950 CG LEU A 60 3.993 -11.611 -7.879 1.00 0.00 C ATOM 951 CD1 LEU A 60 5.362 -12.076 -8.371 1.00 0.00 C ATOM 952 CD2 LEU A 60 3.920 -10.083 -7.945 1.00 0.00 C ATOM 0 H LEU A 60 4.001 -13.487 -10.595 1.00 0.00 H new ATOM 0 HA LEU A 60 3.448 -14.071 -7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.979 -11.827 -9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.916 -11.911 -8.381 1.00 0.00 H new ATOM 0 HG LEU A 60 3.851 -11.941 -6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.141 -11.645 -7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.416 -13.164 -8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.508 -11.752 -9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.703 -9.654 -7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.058 -9.756 -8.976 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.946 -9.749 -7.586 1.00 0.00 H new ATOM 964 N ILE A 61 1.167 -14.496 -10.141 1.00 0.00 N ATOM 965 CA ILE A 61 -0.150 -15.062 -10.398 1.00 0.00 C ATOM 966 C ILE A 61 -0.070 -16.584 -10.498 1.00 0.00 C ATOM 967 O ILE A 61 -1.093 -17.268 -10.540 1.00 0.00 O ATOM 968 CB ILE A 61 -0.722 -14.488 -11.699 1.00 0.00 C ATOM 969 CG1 ILE A 61 0.055 -15.042 -12.892 1.00 0.00 C ATOM 970 CG2 ILE A 61 -0.596 -12.963 -11.687 1.00 0.00 C ATOM 971 CD1 ILE A 61 -0.764 -16.135 -13.584 1.00 0.00 C ATOM 0 H ILE A 61 1.691 -14.240 -10.978 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.806 -14.800 -9.568 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.772 -14.770 -11.781 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.277 -14.241 -13.597 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.010 -15.447 -12.559 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.003 -12.557 -12.613 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.149 -12.559 -10.839 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.454 -12.685 -11.600 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.204 -16.526 -14.434 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.963 -16.942 -12.879 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.708 -15.716 -13.933 1.00 0.00 H new ATOM 983 N ARG A 62 1.153 -17.110 -10.525 1.00 0.00 N ATOM 984 CA ARG A 62 1.346 -18.551 -10.623 1.00 0.00 C ATOM 985 C ARG A 62 0.667 -19.252 -9.450 1.00 0.00 C ATOM 986 O ARG A 62 0.447 -20.462 -9.474 1.00 0.00 O ATOM 987 CB ARG A 62 2.845 -18.871 -10.615 1.00 0.00 C ATOM 988 CG ARG A 62 3.052 -20.351 -10.299 1.00 0.00 C ATOM 989 CD ARG A 62 4.435 -20.788 -10.782 1.00 0.00 C ATOM 990 NE ARG A 62 4.376 -21.171 -12.188 1.00 0.00 N ATOM 991 CZ ARG A 62 3.721 -22.261 -12.577 1.00 0.00 C ATOM 992 NH1 ARG A 62 3.121 -23.013 -11.696 1.00 0.00 N ATOM 993 NH2 ARG A 62 3.679 -22.579 -13.842 1.00 0.00 N ATOM 0 H ARG A 62 2.014 -16.566 -10.481 1.00 0.00 H new ATOM 0 HA ARG A 62 0.903 -18.906 -11.554 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.283 -18.631 -11.584 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.354 -18.256 -9.873 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.959 -20.521 -9.226 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.280 -20.949 -10.784 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.149 -19.976 -10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.790 -21.627 -10.183 1.00 0.00 H new ATOM 0 HE ARG A 62 4.845 -20.593 -12.885 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.154 -22.765 -10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.619 -23.849 -11.996 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.148 -21.992 -14.531 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.177 -23.415 -14.141 1.00 0.00 H new ATOM 1007 N ASP A 63 0.330 -18.479 -8.426 1.00 0.00 N ATOM 1008 CA ASP A 63 -0.330 -19.038 -7.251 1.00 0.00 C ATOM 1009 C ASP A 63 -1.312 -18.038 -6.659 1.00 0.00 C ATOM 1010 O ASP A 63 -0.993 -16.861 -6.474 1.00 0.00 O ATOM 1011 CB ASP A 63 0.709 -19.423 -6.196 1.00 0.00 C ATOM 1012 CG ASP A 63 0.099 -20.396 -5.191 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -1.091 -20.650 -5.289 1.00 0.00 O ATOM 1014 OD2 ASP A 63 0.830 -20.872 -4.340 1.00 0.00 O ATOM 0 H ASP A 63 0.500 -17.474 -8.383 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.878 -19.928 -7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.575 -19.879 -6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.064 -18.530 -5.681 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.516 -18.504 -6.373 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.526 -17.626 -5.815 1.00 0.00 C ATOM 1021 C LYS A 64 -3.017 -16.966 -4.540 1.00 0.00 C ATOM 1022 O LYS A 64 -3.367 -15.831 -4.235 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.808 -18.423 -5.507 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.767 -17.623 -4.597 1.00 0.00 C ATOM 1025 CD LYS A 64 -6.191 -16.330 -5.301 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.706 -16.230 -5.311 1.00 0.00 C ATOM 1027 NZ LYS A 64 -8.194 -16.122 -3.913 1.00 0.00 N ATOM 0 H LYS A 64 -2.813 -19.469 -6.515 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.749 -16.851 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.314 -18.674 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.545 -19.364 -5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.645 -18.224 -4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.277 -17.390 -3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.763 -15.468 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.809 -16.317 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.022 -15.361 -5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.138 -17.107 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.140 -15.690 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.244 -17.070 -3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.540 -15.530 -3.362 1.00 0.00 H new ATOM 1041 N ASN A 65 -2.207 -17.684 -3.788 1.00 0.00 N ATOM 1042 CA ASN A 65 -1.691 -17.148 -2.545 1.00 0.00 C ATOM 1043 C ASN A 65 -0.671 -16.052 -2.817 1.00 0.00 C ATOM 1044 O ASN A 65 -0.545 -15.096 -2.047 1.00 0.00 O ATOM 1045 CB ASN A 65 -1.043 -18.272 -1.736 1.00 0.00 C ATOM 1046 CG ASN A 65 -2.055 -18.873 -0.762 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -2.211 -18.382 0.356 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -2.751 -19.916 -1.122 1.00 0.00 N ATOM 0 H ASN A 65 -1.895 -18.629 -4.012 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.516 -16.718 -1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.671 -19.045 -2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.184 -17.886 -1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.426 -20.326 -0.477 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.620 -20.321 -2.049 1.00 0.00 H new ATOM 1055 N ALA A 66 0.064 -16.195 -3.915 1.00 0.00 N ATOM 1056 CA ALA A 66 1.087 -15.218 -4.265 1.00 0.00 C ATOM 1057 C ALA A 66 0.476 -13.848 -4.582 1.00 0.00 C ATOM 1058 O ALA A 66 0.722 -12.839 -3.884 1.00 0.00 O ATOM 1059 CB ALA A 66 1.863 -15.713 -5.486 1.00 0.00 C ATOM 0 H ALA A 66 -0.028 -16.970 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 66 1.751 -15.105 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.629 -14.984 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.335 -16.668 -5.255 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.179 -15.840 -6.325 1.00 0.00 H new ATOM 1065 N LEU A 67 -0.334 -13.811 -5.623 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.964 -12.563 -6.000 1.00 0.00 C ATOM 1067 C LEU A 67 -1.733 -12.009 -4.807 1.00 0.00 C ATOM 1068 O LEU A 67 -1.830 -10.797 -4.630 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.893 -12.765 -7.217 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.380 -12.704 -6.805 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -4.250 -12.576 -8.038 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.744 -13.979 -6.052 1.00 0.00 C ATOM 0 H LEU A 67 -0.567 -14.612 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.198 -11.845 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.689 -11.998 -7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.682 -13.728 -7.682 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.544 -11.839 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.298 -12.533 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.988 -11.665 -8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.091 -13.438 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.793 -13.941 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.578 -14.842 -6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.121 -14.066 -5.162 1.00 0.00 H new ATOM 1084 N GLN A 68 -2.315 -12.899 -4.005 1.00 0.00 N ATOM 1085 CA GLN A 68 -3.103 -12.458 -2.872 1.00 0.00 C ATOM 1086 C GLN A 68 -2.243 -11.620 -1.932 1.00 0.00 C ATOM 1087 O GLN A 68 -2.649 -10.561 -1.434 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.670 -13.666 -2.123 1.00 0.00 C ATOM 1089 CG GLN A 68 -5.175 -13.846 -2.444 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.999 -12.917 -1.584 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -6.046 -11.659 -1.904 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -6.607 -13.343 -0.602 1.00 0.00 N flip ATOM 0 H GLN A 68 -2.254 -13.911 -4.121 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.930 -11.848 -3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.122 -14.565 -2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.534 -13.532 -1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.358 -13.638 -3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.473 -14.879 -2.267 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.560 -14.334 -0.364 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.157 -12.705 -0.027 1.00 0.00 H new ATOM 1101 N ASN A 69 -1.037 -12.101 -1.692 1.00 0.00 N ATOM 1102 CA ASN A 69 -0.124 -11.390 -0.819 1.00 0.00 C ATOM 1103 C ASN A 69 0.063 -9.971 -1.323 1.00 0.00 C ATOM 1104 O ASN A 69 0.035 -9.015 -0.550 1.00 0.00 O ATOM 1105 CB ASN A 69 1.227 -12.096 -0.768 1.00 0.00 C ATOM 1106 CG ASN A 69 1.021 -13.576 -0.490 1.00 0.00 C ATOM 1107 OD1 ASN A 69 1.615 -14.450 -1.247 1.00 0.00 O flip ATOM 1108 ND2 ASN A 69 0.296 -13.942 0.433 1.00 0.00 N flip ATOM 0 H ASN A 69 -0.671 -12.969 -2.084 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.547 -11.370 0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.753 -11.963 -1.713 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.850 -11.653 0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.167 -13.251 1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.157 -14.937 0.609 1.00 0.00 H new ATOM 1115 N ILE A 70 0.251 -9.837 -2.630 1.00 0.00 N ATOM 1116 CA ILE A 70 0.437 -8.502 -3.218 1.00 0.00 C ATOM 1117 C ILE A 70 -0.878 -7.731 -3.241 1.00 0.00 C ATOM 1118 O ILE A 70 -0.896 -6.503 -3.154 1.00 0.00 O ATOM 1119 CB ILE A 70 0.981 -8.625 -4.641 1.00 0.00 C ATOM 1120 CG1 ILE A 70 2.474 -9.009 -4.620 1.00 0.00 C ATOM 1121 CG2 ILE A 70 0.806 -7.295 -5.376 1.00 0.00 C ATOM 1122 CD1 ILE A 70 2.611 -10.515 -4.819 1.00 0.00 C ATOM 0 H ILE A 70 0.280 -10.610 -3.295 1.00 0.00 H new ATOM 0 HA ILE A 70 1.152 -7.957 -2.601 1.00 0.00 H new ATOM 0 HB ILE A 70 0.425 -9.407 -5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.009 -8.477 -5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.924 -8.714 -3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.195 -7.386 -6.390 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.252 -7.037 -5.415 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.351 -6.513 -4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.666 -10.789 -4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.089 -11.037 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.176 -10.796 -5.778 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.981 -8.456 -3.348 1.00 0.00 N ATOM 1135 CA ILE A 71 -3.291 -7.819 -3.368 1.00 0.00 C ATOM 1136 C ILE A 71 -3.469 -6.959 -2.132 1.00 0.00 C ATOM 1137 O ILE A 71 -3.987 -5.862 -2.212 1.00 0.00 O ATOM 1138 CB ILE A 71 -4.396 -8.873 -3.412 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.569 -9.373 -4.846 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.710 -8.289 -2.883 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.561 -8.480 -5.581 1.00 0.00 C ATOM 0 H ILE A 71 -1.998 -9.473 -3.422 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.356 -7.195 -4.259 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.117 -9.713 -2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.609 -9.369 -5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.925 -10.403 -4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.488 -9.051 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.573 -7.960 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.005 -7.439 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.684 -8.837 -6.603 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.523 -8.507 -5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.187 -7.456 -5.597 1.00 0.00 H new ATOM 1153 N LEU A 72 -3.046 -7.461 -0.981 1.00 0.00 N ATOM 1154 CA LEU A 72 -3.187 -6.687 0.246 1.00 0.00 C ATOM 1155 C LEU A 72 -2.228 -5.507 0.259 1.00 0.00 C ATOM 1156 O LEU A 72 -2.156 -4.788 1.249 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.907 -7.574 1.446 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.876 -8.752 1.427 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -3.087 -10.039 1.578 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.856 -8.609 2.589 1.00 0.00 C ATOM 0 H LEU A 72 -2.613 -8.378 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.208 -6.307 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.878 -7.932 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.022 -7.006 2.369 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.428 -8.771 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.770 -10.888 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.379 -10.131 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.544 -10.024 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.553 -9.447 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.306 -8.601 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.410 -7.676 2.485 1.00 0.00 H new ATOM 1172 N TYR A 73 -1.494 -5.316 -0.839 1.00 0.00 N ATOM 1173 CA TYR A 73 -0.541 -4.217 -0.931 1.00 0.00 C ATOM 1174 C TYR A 73 0.125 -3.959 0.420 1.00 0.00 C ATOM 1175 O TYR A 73 0.269 -2.809 0.846 1.00 0.00 O ATOM 1176 CB TYR A 73 -1.234 -2.943 -1.436 1.00 0.00 C ATOM 1177 CG TYR A 73 -2.697 -3.190 -1.688 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -3.149 -3.454 -2.984 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -3.605 -3.127 -0.629 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -4.514 -3.635 -3.228 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -4.968 -3.320 -0.866 1.00 0.00 C ATOM 1182 CZ TYR A 73 -5.423 -3.579 -2.166 1.00 0.00 C ATOM 1183 OH TYR A 73 -6.770 -3.754 -2.400 1.00 0.00 O ATOM 0 H TYR A 73 -1.543 -5.906 -1.670 1.00 0.00 H new ATOM 0 HA TYR A 73 0.232 -4.499 -1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.117 -2.146 -0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.755 -2.604 -2.354 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.443 -3.518 -3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.254 -2.929 0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.865 -3.817 -4.233 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.671 -3.270 -0.048 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.260 -3.686 -1.554 1.00 0.00 H new ATOM 1193 N HIS A 74 0.521 -5.035 1.098 1.00 0.00 N ATOM 1194 CA HIS A 74 1.167 -4.905 2.400 1.00 0.00 C ATOM 1195 C HIS A 74 0.219 -4.255 3.397 1.00 0.00 C ATOM 1196 O HIS A 74 0.628 -3.415 4.198 1.00 0.00 O ATOM 1197 CB HIS A 74 2.451 -4.071 2.279 1.00 0.00 C ATOM 1198 CG HIS A 74 3.398 -4.755 1.334 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.097 -4.957 -0.004 1.00 0.00 N ATOM 1200 CD2 HIS A 74 4.644 -5.294 1.526 1.00 0.00 C ATOM 1201 CE1 HIS A 74 4.143 -5.596 -0.560 1.00 0.00 C ATOM 1202 NE2 HIS A 74 5.113 -5.824 0.329 1.00 0.00 N ATOM 0 H HIS A 74 0.407 -5.995 0.771 1.00 0.00 H new ATOM 0 HA HIS A 74 1.427 -5.902 2.757 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.216 -3.070 1.916 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.916 -3.954 3.258 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.180 -5.305 2.464 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.192 -5.889 -1.598 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.007 -6.288 0.165 1.00 0.00 H new ATOM 1211 N LEU A 75 -1.051 -4.643 3.340 1.00 0.00 N ATOM 1212 CA LEU A 75 -2.039 -4.080 4.242 1.00 0.00 C ATOM 1213 C LEU A 75 -1.549 -4.170 5.667 1.00 0.00 C ATOM 1214 O LEU A 75 -1.078 -5.220 6.095 1.00 0.00 O ATOM 1215 CB LEU A 75 -3.374 -4.827 4.100 1.00 0.00 C ATOM 1216 CG LEU A 75 -4.435 -4.221 5.030 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -4.861 -2.851 4.524 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.654 -5.145 5.085 1.00 0.00 C ATOM 0 H LEU A 75 -1.413 -5.337 2.686 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.192 -3.032 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.717 -4.776 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.234 -5.881 4.338 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.009 -4.113 6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.613 -2.434 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.995 -2.189 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.280 -2.947 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.407 -4.715 5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.071 -5.258 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.354 -6.121 5.465 1.00 0.00 H new ATOM 1230 N THR A 76 -1.675 -3.069 6.400 1.00 0.00 N ATOM 1231 CA THR A 76 -1.244 -3.056 7.788 1.00 0.00 C ATOM 1232 C THR A 76 -2.342 -2.482 8.701 1.00 0.00 C ATOM 1233 O THR A 76 -2.975 -1.496 8.356 1.00 0.00 O ATOM 1234 CB THR A 76 0.033 -2.205 7.922 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.151 -3.062 8.063 1.00 0.00 O ATOM 1236 CG2 THR A 76 -0.042 -1.277 9.149 1.00 0.00 C ATOM 0 H THR A 76 -2.065 -2.190 6.062 1.00 0.00 H new ATOM 0 HA THR A 76 -1.041 -4.082 8.096 1.00 0.00 H new ATOM 0 HB THR A 76 0.130 -1.591 7.027 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.940 -2.533 8.305 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.873 -0.689 9.217 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.896 -0.608 9.047 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.156 -1.876 10.052 1.00 0.00 H new ATOM 1244 N PRO A 77 -2.550 -3.038 9.870 1.00 0.00 N ATOM 1245 CA PRO A 77 -3.563 -2.508 10.836 1.00 0.00 C ATOM 1246 C PRO A 77 -3.051 -1.291 11.601 1.00 0.00 C ATOM 1247 O PRO A 77 -1.853 -1.149 11.844 1.00 0.00 O ATOM 1248 CB PRO A 77 -3.781 -3.686 11.787 1.00 0.00 C ATOM 1249 CG PRO A 77 -2.487 -4.437 11.781 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.869 -4.232 10.402 1.00 0.00 C ATOM 0 HA PRO A 77 -4.470 -2.167 10.338 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.032 -3.341 12.790 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.604 -4.317 11.451 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.822 -4.069 12.562 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.653 -5.496 11.977 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.792 -4.079 10.468 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.029 -5.099 9.762 1.00 0.00 H new ATOM 1258 N GLY A 78 -3.979 -0.419 11.975 1.00 0.00 N ATOM 1259 CA GLY A 78 -3.630 0.789 12.714 1.00 0.00 C ATOM 1260 C GLY A 78 -2.835 1.750 11.841 1.00 0.00 C ATOM 1261 O GLY A 78 -1.719 1.445 11.419 1.00 0.00 O ATOM 0 H GLY A 78 -4.975 -0.524 11.780 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.537 1.279 13.068 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.046 0.525 13.596 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.414 2.916 11.575 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.751 3.918 10.746 1.00 0.00 C ATOM 1267 C VAL A 79 -1.330 4.164 11.242 1.00 0.00 C ATOM 1268 O VAL A 79 -1.095 4.297 12.444 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.534 5.231 10.782 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -4.971 4.981 10.321 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -3.547 5.779 12.212 1.00 0.00 C ATOM 0 H VAL A 79 -4.335 3.190 11.918 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.713 3.546 9.722 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.059 5.954 10.119 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.529 5.917 10.347 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.964 4.590 9.303 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.445 4.257 10.984 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.105 6.715 12.238 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.021 5.055 12.875 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.524 5.957 12.543 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.385 4.218 10.307 1.00 0.00 N ATOM 1282 CA PHE A 80 1.011 4.445 10.660 1.00 0.00 C ATOM 1283 C PHE A 80 1.346 5.928 10.588 1.00 0.00 C ATOM 1284 O PHE A 80 0.940 6.615 9.651 1.00 0.00 O ATOM 1285 CB PHE A 80 1.928 3.673 9.715 1.00 0.00 C ATOM 1286 CG PHE A 80 2.937 4.623 9.117 1.00 0.00 C ATOM 1287 CD1 PHE A 80 2.586 5.417 8.020 1.00 0.00 C ATOM 1288 CD2 PHE A 80 4.223 4.715 9.665 1.00 0.00 C ATOM 1289 CE1 PHE A 80 3.518 6.303 7.469 1.00 0.00 C ATOM 1290 CE2 PHE A 80 5.156 5.601 9.113 1.00 0.00 C ATOM 1291 CZ PHE A 80 4.803 6.395 8.016 1.00 0.00 C ATOM 0 H PHE A 80 -0.559 4.109 9.308 1.00 0.00 H new ATOM 0 HA PHE A 80 1.165 4.094 11.680 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.438 2.875 10.255 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.343 3.201 8.926 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.594 5.346 7.598 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.494 4.103 10.512 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.246 6.916 6.622 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.148 5.672 9.534 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.523 7.079 7.591 1.00 0.00 H new ATOM 1301 N ILE A 81 2.093 6.418 11.579 1.00 0.00 N ATOM 1302 CA ILE A 81 2.479 7.828 11.609 1.00 0.00 C ATOM 1303 C ILE A 81 3.998 7.963 11.638 1.00 0.00 C ATOM 1304 O ILE A 81 4.644 7.665 12.652 1.00 0.00 O ATOM 1305 CB ILE A 81 1.891 8.508 12.846 1.00 0.00 C ATOM 1306 CG1 ILE A 81 0.380 8.259 12.907 1.00 0.00 C ATOM 1307 CG2 ILE A 81 2.152 10.011 12.779 1.00 0.00 C ATOM 1308 CD1 ILE A 81 0.026 7.529 14.204 1.00 0.00 C ATOM 0 H ILE A 81 2.439 5.865 12.363 1.00 0.00 H new ATOM 0 HA ILE A 81 2.092 8.308 10.710 1.00 0.00 H new ATOM 0 HB ILE A 81 2.363 8.095 13.737 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.156 9.207 12.854 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.065 7.666 12.048 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.732 10.493 13.662 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.226 10.193 12.743 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.685 10.422 11.884 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.049 7.355 14.242 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.550 6.574 14.238 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.325 8.138 15.057 1.00 0.00 H new ATOM 1320 N GLY A 82 4.558 8.423 10.523 1.00 0.00 N ATOM 1321 CA GLY A 82 5.998 8.602 10.420 1.00 0.00 C ATOM 1322 C GLY A 82 6.462 9.729 11.328 1.00 0.00 C ATOM 1323 O GLY A 82 7.644 10.069 11.356 1.00 0.00 O ATOM 0 H GLY A 82 4.037 8.677 9.683 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.506 7.676 10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.270 8.824 9.388 1.00 0.00 H new ATOM 1327 N LYS A 83 5.521 10.302 12.075 1.00 0.00 N ATOM 1328 CA LYS A 83 5.850 11.393 12.984 1.00 0.00 C ATOM 1329 C LYS A 83 5.927 10.880 14.416 1.00 0.00 C ATOM 1330 O LYS A 83 6.655 11.426 15.246 1.00 0.00 O ATOM 1331 CB LYS A 83 4.791 12.504 12.883 1.00 0.00 C ATOM 1332 CG LYS A 83 4.493 13.095 14.273 1.00 0.00 C ATOM 1333 CD LYS A 83 3.594 14.315 14.125 1.00 0.00 C ATOM 1334 CE LYS A 83 2.246 13.895 13.527 1.00 0.00 C ATOM 1335 NZ LYS A 83 1.168 14.734 14.114 1.00 0.00 N ATOM 0 H LYS A 83 4.537 10.032 12.069 1.00 0.00 H new ATOM 0 HA LYS A 83 6.821 11.801 12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.143 13.290 12.215 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.875 12.103 12.448 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.009 12.347 14.901 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.423 13.374 14.768 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.441 14.786 15.096 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.072 15.055 13.484 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.264 14.010 12.443 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.056 12.842 13.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.251 14.453 13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.148 14.602 15.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.349 15.735 13.896 1.00 0.00 H new ATOM 1349 N GLY A 84 5.160 9.835 14.702 1.00 0.00 N ATOM 1350 CA GLY A 84 5.135 9.266 16.041 1.00 0.00 C ATOM 1351 C GLY A 84 6.348 8.383 16.278 1.00 0.00 C ATOM 1352 O GLY A 84 6.892 8.341 17.382 1.00 0.00 O ATOM 0 H GLY A 84 4.552 9.368 14.029 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.113 10.067 16.780 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.224 8.683 16.176 1.00 0.00 H new ATOM 1356 N PHE A 85 6.765 7.676 15.234 1.00 0.00 N ATOM 1357 CA PHE A 85 7.920 6.788 15.342 1.00 0.00 C ATOM 1358 C PHE A 85 9.220 7.580 15.287 1.00 0.00 C ATOM 1359 O PHE A 85 9.260 8.690 14.753 1.00 0.00 O ATOM 1360 CB PHE A 85 7.901 5.765 14.213 1.00 0.00 C ATOM 1361 CG PHE A 85 6.965 4.636 14.569 1.00 0.00 C ATOM 1362 CD1 PHE A 85 5.774 4.460 13.854 1.00 0.00 C ATOM 1363 CD2 PHE A 85 7.291 3.760 15.612 1.00 0.00 C ATOM 1364 CE1 PHE A 85 4.909 3.409 14.182 1.00 0.00 C ATOM 1365 CE2 PHE A 85 6.426 2.709 15.940 1.00 0.00 C ATOM 1366 CZ PHE A 85 5.235 2.534 15.225 1.00 0.00 C ATOM 0 H PHE A 85 6.328 7.698 14.313 1.00 0.00 H new ATOM 0 HA PHE A 85 7.863 6.274 16.301 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.580 6.238 13.285 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.906 5.378 14.042 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.523 5.135 13.049 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.210 3.895 16.163 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.990 3.273 13.630 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.677 2.033 16.744 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.568 1.724 15.478 1.00 0.00 H new ATOM 1376 N GLU A 86 10.283 7.009 15.850 1.00 0.00 N ATOM 1377 CA GLU A 86 11.570 7.693 15.862 1.00 0.00 C ATOM 1378 C GLU A 86 12.121 7.835 14.434 1.00 0.00 C ATOM 1379 O GLU A 86 12.304 6.835 13.742 1.00 0.00 O ATOM 1380 CB GLU A 86 12.572 6.907 16.712 1.00 0.00 C ATOM 1381 CG GLU A 86 13.699 7.848 17.154 1.00 0.00 C ATOM 1382 CD GLU A 86 13.198 8.787 18.247 1.00 0.00 C ATOM 1383 OE1 GLU A 86 13.154 8.362 19.390 1.00 0.00 O ATOM 1384 OE2 GLU A 86 12.869 9.918 17.928 1.00 0.00 O ATOM 0 H GLU A 86 10.279 6.091 16.296 1.00 0.00 H new ATOM 0 HA GLU A 86 11.425 8.686 16.288 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.074 6.481 17.583 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.980 6.074 16.139 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.545 7.267 17.522 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.056 8.426 16.302 1.00 0.00 H new ATOM 1391 N PRO A 87 12.400 9.035 13.976 1.00 0.00 N ATOM 1392 CA PRO A 87 12.955 9.258 12.609 1.00 0.00 C ATOM 1393 C PRO A 87 14.461 9.015 12.550 1.00 0.00 C ATOM 1394 O PRO A 87 15.175 9.248 13.525 1.00 0.00 O ATOM 1395 CB PRO A 87 12.630 10.726 12.340 1.00 0.00 C ATOM 1396 CG PRO A 87 12.633 11.375 13.683 1.00 0.00 C ATOM 1397 CD PRO A 87 12.220 10.311 14.690 1.00 0.00 C ATOM 0 HA PRO A 87 12.533 8.573 11.873 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.370 11.180 11.681 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.661 10.833 11.852 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.622 11.767 13.920 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.942 12.217 13.706 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.837 10.354 15.588 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.186 10.445 15.007 1.00 0.00 H new ATOM 1405 N GLY A 88 14.937 8.547 11.401 1.00 0.00 N ATOM 1406 CA GLY A 88 16.358 8.276 11.228 1.00 0.00 C ATOM 1407 C GLY A 88 16.642 6.783 11.318 1.00 0.00 C ATOM 1408 O GLY A 88 17.460 6.251 10.566 1.00 0.00 O ATOM 0 H GLY A 88 14.363 8.349 10.581 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.689 8.656 10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.929 8.805 11.991 1.00 0.00 H new ATOM 1412 N VAL A 89 15.962 6.108 12.243 1.00 0.00 N ATOM 1413 CA VAL A 89 16.151 4.677 12.416 1.00 0.00 C ATOM 1414 C VAL A 89 15.006 3.907 11.768 1.00 0.00 C ATOM 1415 O VAL A 89 13.842 4.295 11.879 1.00 0.00 O ATOM 1416 CB VAL A 89 16.217 4.344 13.904 1.00 0.00 C ATOM 1417 CG1 VAL A 89 17.148 5.329 14.612 1.00 0.00 C ATOM 1418 CG2 VAL A 89 14.817 4.438 14.514 1.00 0.00 C ATOM 0 H VAL A 89 15.282 6.528 12.877 1.00 0.00 H new ATOM 0 HA VAL A 89 17.085 4.386 11.936 1.00 0.00 H new ATOM 0 HB VAL A 89 16.600 3.331 14.028 1.00 0.00 H new ATOM 0 HG11 VAL A 89 17.193 5.088 15.674 1.00 0.00 H new ATOM 0 HG12 VAL A 89 18.147 5.259 14.182 1.00 0.00 H new ATOM 0 HG13 VAL A 89 16.769 6.343 14.486 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.866 4.200 15.577 1.00 0.00 H new ATOM 0 HG22 VAL A 89 14.432 5.450 14.386 1.00 0.00 H new ATOM 0 HG23 VAL A 89 14.154 3.732 14.014 1.00 0.00 H new ATOM 1428 N THR A 90 15.342 2.815 11.090 1.00 0.00 N ATOM 1429 CA THR A 90 14.331 1.999 10.427 1.00 0.00 C ATOM 1430 C THR A 90 13.346 1.441 11.451 1.00 0.00 C ATOM 1431 O THR A 90 13.718 1.162 12.590 1.00 0.00 O ATOM 1432 CB THR A 90 15.000 0.842 9.680 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.408 1.030 9.678 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.487 0.797 8.240 1.00 0.00 C ATOM 0 H THR A 90 16.298 2.476 10.985 1.00 0.00 H new ATOM 0 HA THR A 90 13.791 2.625 9.717 1.00 0.00 H new ATOM 0 HB THR A 90 14.761 -0.098 10.178 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.836 0.289 9.201 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.964 -0.027 7.709 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.407 0.650 8.243 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.724 1.736 7.740 1.00 0.00 H new ATOM 1442 N ASN A 91 12.093 1.282 11.034 1.00 0.00 N ATOM 1443 CA ASN A 91 11.055 0.758 11.918 1.00 0.00 C ATOM 1444 C ASN A 91 10.460 -0.526 11.346 1.00 0.00 C ATOM 1445 O ASN A 91 10.019 -0.557 10.198 1.00 0.00 O ATOM 1446 CB ASN A 91 9.949 1.799 12.096 1.00 0.00 C ATOM 1447 CG ASN A 91 10.536 3.204 12.010 1.00 0.00 C ATOM 1448 OD1 ASN A 91 10.143 3.990 11.148 1.00 0.00 O ATOM 1449 ND2 ASN A 91 11.457 3.569 12.858 1.00 0.00 N ATOM 0 H ASN A 91 11.772 1.508 10.092 1.00 0.00 H new ATOM 0 HA ASN A 91 11.506 0.536 12.885 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.187 1.667 11.328 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.458 1.659 13.059 1.00 0.00 H new ATOM 0 HD21 ASN A 91 11.853 4.508 12.808 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.781 2.916 13.571 1.00 0.00 H new ATOM 1456 N ILE A 92 10.452 -1.580 12.154 1.00 0.00 N ATOM 1457 CA ILE A 92 9.911 -2.865 11.722 1.00 0.00 C ATOM 1458 C ILE A 92 8.421 -2.943 12.026 1.00 0.00 C ATOM 1459 O ILE A 92 8.021 -2.985 13.190 1.00 0.00 O ATOM 1460 CB ILE A 92 10.634 -4.004 12.438 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.140 -3.725 12.450 1.00 0.00 C ATOM 1462 CG2 ILE A 92 10.367 -5.319 11.704 1.00 0.00 C ATOM 1463 CD1 ILE A 92 12.608 -3.352 11.041 1.00 0.00 C ATOM 0 H ILE A 92 10.812 -1.571 13.108 1.00 0.00 H new ATOM 0 HA ILE A 92 10.061 -2.958 10.646 1.00 0.00 H new ATOM 0 HB ILE A 92 10.269 -4.078 13.462 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.364 -2.915 13.144 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.680 -4.604 12.802 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.883 -6.132 12.215 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.296 -5.519 11.694 1.00 0.00 H new ATOM 0 HG23 ILE A 92 10.732 -5.245 10.680 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.680 -3.154 11.054 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.399 -4.176 10.358 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.079 -2.460 10.706 1.00 0.00 H new ATOM 1475 N LEU A 93 7.608 -2.959 10.970 1.00 0.00 N ATOM 1476 CA LEU A 93 6.160 -3.028 11.129 1.00 0.00 C ATOM 1477 C LEU A 93 5.606 -4.289 10.481 1.00 0.00 C ATOM 1478 O LEU A 93 5.858 -4.564 9.308 1.00 0.00 O ATOM 1479 CB LEU A 93 5.503 -1.794 10.493 1.00 0.00 C ATOM 1480 CG LEU A 93 5.378 -0.665 11.527 1.00 0.00 C ATOM 1481 CD1 LEU A 93 6.747 -0.030 11.790 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.418 0.402 10.999 1.00 0.00 C ATOM 0 H LEU A 93 7.927 -2.925 10.002 1.00 0.00 H new ATOM 0 HA LEU A 93 5.934 -3.053 12.195 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.096 -1.455 9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.517 -2.056 10.109 1.00 0.00 H new ATOM 0 HG LEU A 93 4.996 -1.080 12.459 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.643 0.768 12.525 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.432 -0.787 12.172 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.142 0.381 10.861 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.328 1.204 11.731 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.803 0.807 10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.438 -0.043 10.826 1.00 0.00 H new ATOM 1494 N LYS A 94 4.845 -5.049 11.261 1.00 0.00 N ATOM 1495 CA LYS A 94 4.250 -6.279 10.762 1.00 0.00 C ATOM 1496 C LYS A 94 2.948 -5.980 10.031 1.00 0.00 C ATOM 1497 O LYS A 94 2.036 -5.370 10.592 1.00 0.00 O ATOM 1498 CB LYS A 94 3.989 -7.245 11.921 1.00 0.00 C ATOM 1499 CG LYS A 94 4.841 -8.504 11.736 1.00 0.00 C ATOM 1500 CD LYS A 94 4.705 -9.396 12.971 1.00 0.00 C ATOM 1501 CE LYS A 94 4.378 -10.826 12.537 1.00 0.00 C ATOM 1502 NZ LYS A 94 2.976 -10.882 12.035 1.00 0.00 N ATOM 0 H LYS A 94 4.628 -4.835 12.234 1.00 0.00 H new ATOM 0 HA LYS A 94 4.946 -6.743 10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.230 -6.766 12.870 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.932 -7.510 11.957 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.521 -9.045 10.846 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.885 -8.231 11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.631 -9.382 13.546 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.919 -9.014 13.623 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.068 -11.148 11.757 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.503 -11.510 13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.649 -11.869 12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.362 -10.318 12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.937 -10.498 11.069 1.00 0.00 H new ATOM 1516 N THR A 95 2.869 -6.407 8.777 1.00 0.00 N ATOM 1517 CA THR A 95 1.671 -6.174 7.981 1.00 0.00 C ATOM 1518 C THR A 95 0.753 -7.393 8.010 1.00 0.00 C ATOM 1519 O THR A 95 1.157 -8.486 8.410 1.00 0.00 O ATOM 1520 CB THR A 95 2.058 -5.848 6.535 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.435 -7.047 5.867 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.236 -4.873 6.526 1.00 0.00 C ATOM 0 H THR A 95 3.612 -6.911 8.293 1.00 0.00 H new ATOM 0 HA THR A 95 1.134 -5.328 8.410 1.00 0.00 H new ATOM 0 HB THR A 95 1.208 -5.394 6.026 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.156 -7.486 6.365 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.510 -4.642 5.496 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.952 -3.955 7.040 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.087 -5.326 7.035 1.00 0.00 H new ATOM 1530 N THR A 96 -0.483 -7.191 7.587 1.00 0.00 N ATOM 1531 CA THR A 96 -1.460 -8.272 7.570 1.00 0.00 C ATOM 1532 C THR A 96 -1.057 -9.341 6.552 1.00 0.00 C ATOM 1533 O THR A 96 -1.374 -10.520 6.716 1.00 0.00 O ATOM 1534 CB THR A 96 -2.860 -7.717 7.232 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.803 -8.232 8.162 1.00 0.00 O ATOM 1536 CG2 THR A 96 -3.276 -8.123 5.818 1.00 0.00 C ATOM 0 H THR A 96 -0.835 -6.294 7.252 1.00 0.00 H new ATOM 0 HA THR A 96 -1.490 -8.729 8.559 1.00 0.00 H new ATOM 0 HB THR A 96 -2.828 -6.629 7.289 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.694 -7.881 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.266 -7.721 5.600 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.558 -7.727 5.100 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.301 -9.210 5.744 1.00 0.00 H new ATOM 1544 N GLN A 97 -0.371 -8.918 5.491 1.00 0.00 N ATOM 1545 CA GLN A 97 0.047 -9.837 4.449 1.00 0.00 C ATOM 1546 C GLN A 97 0.824 -11.004 5.044 1.00 0.00 C ATOM 1547 O GLN A 97 0.957 -12.057 4.415 1.00 0.00 O ATOM 1548 CB GLN A 97 0.927 -9.105 3.437 1.00 0.00 C ATOM 1549 CG GLN A 97 1.398 -10.090 2.365 1.00 0.00 C ATOM 1550 CD GLN A 97 2.808 -10.575 2.688 1.00 0.00 C ATOM 1551 OE1 GLN A 97 3.188 -10.646 3.855 1.00 0.00 O ATOM 1552 NE2 GLN A 97 3.609 -10.916 1.717 1.00 0.00 N ATOM 0 H GLN A 97 -0.097 -7.948 5.336 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.843 -10.223 3.951 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.369 -8.289 2.977 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.786 -8.660 3.940 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.715 -10.938 2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.385 -9.610 1.387 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.292 -10.856 0.749 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.553 -11.242 1.925 1.00 0.00 H new ATOM 1561 N GLY A 98 1.330 -10.813 6.260 1.00 0.00 N ATOM 1562 CA GLY A 98 2.089 -11.858 6.939 1.00 0.00 C ATOM 1563 C GLY A 98 3.558 -11.474 7.054 1.00 0.00 C ATOM 1564 O GLY A 98 4.263 -11.936 7.953 1.00 0.00 O ATOM 0 H GLY A 98 1.229 -9.949 6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.674 -12.027 7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.996 -12.796 6.391 1.00 0.00 H new ATOM 1568 N SER A 99 4.015 -10.626 6.139 1.00 0.00 N ATOM 1569 CA SER A 99 5.403 -10.186 6.145 1.00 0.00 C ATOM 1570 C SER A 99 5.544 -8.865 6.895 1.00 0.00 C ATOM 1571 O SER A 99 4.556 -8.307 7.373 1.00 0.00 O ATOM 1572 CB SER A 99 5.903 -10.014 4.709 1.00 0.00 C ATOM 1573 OG SER A 99 5.685 -11.221 3.990 1.00 0.00 O ATOM 0 H SER A 99 3.448 -10.232 5.388 1.00 0.00 H new ATOM 0 HA SER A 99 6.002 -10.944 6.650 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.380 -9.189 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.964 -9.763 4.708 1.00 0.00 H new ATOM 0 HG SER A 99 4.725 -11.418 3.965 1.00 0.00 H new ATOM 1579 N LYS A 100 6.777 -8.375 6.993 1.00 0.00 N ATOM 1580 CA LYS A 100 7.045 -7.119 7.688 1.00 0.00 C ATOM 1581 C LYS A 100 7.621 -6.089 6.727 1.00 0.00 C ATOM 1582 O LYS A 100 8.261 -6.442 5.736 1.00 0.00 O ATOM 1583 CB LYS A 100 8.031 -7.354 8.835 1.00 0.00 C ATOM 1584 CG LYS A 100 9.124 -8.323 8.377 1.00 0.00 C ATOM 1585 CD LYS A 100 10.159 -8.490 9.490 1.00 0.00 C ATOM 1586 CE LYS A 100 11.179 -9.555 9.084 1.00 0.00 C ATOM 1587 NZ LYS A 100 11.488 -9.421 7.632 1.00 0.00 N ATOM 0 H LYS A 100 7.604 -8.826 6.602 1.00 0.00 H new ATOM 0 HA LYS A 100 6.105 -6.741 8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.475 -6.409 9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.508 -7.761 9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.686 -9.289 8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.604 -7.946 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.663 -7.542 9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.666 -8.778 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.090 -9.444 9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.784 -10.550 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.349 -9.959 7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.694 -9.792 7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.637 -8.418 7.400 1.00 0.00 H new ATOM 1601 N ILE A 101 7.386 -4.815 7.031 1.00 0.00 N ATOM 1602 CA ILE A 101 7.882 -3.730 6.193 1.00 0.00 C ATOM 1603 C ILE A 101 8.742 -2.775 7.010 1.00 0.00 C ATOM 1604 O ILE A 101 8.446 -2.492 8.172 1.00 0.00 O ATOM 1605 CB ILE A 101 6.705 -2.972 5.574 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.234 -1.848 4.679 1.00 0.00 C ATOM 1607 CG2 ILE A 101 5.835 -2.373 6.683 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.073 -1.191 3.924 1.00 0.00 C ATOM 0 H ILE A 101 6.857 -4.511 7.848 1.00 0.00 H new ATOM 0 HA ILE A 101 8.494 -4.155 5.398 1.00 0.00 H new ATOM 0 HB ILE A 101 6.107 -3.662 4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.753 -1.104 5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.960 -2.247 3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.998 -1.834 6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.455 -3.172 7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.432 -1.685 7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.457 -0.392 3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.573 -1.937 3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.362 -0.776 4.639 1.00 0.00 H new ATOM 1620 N PHE A 102 9.810 -2.281 6.394 1.00 0.00 N ATOM 1621 CA PHE A 102 10.714 -1.358 7.074 1.00 0.00 C ATOM 1622 C PHE A 102 10.339 0.089 6.773 1.00 0.00 C ATOM 1623 O PHE A 102 10.318 0.504 5.614 1.00 0.00 O ATOM 1624 CB PHE A 102 12.151 -1.606 6.621 1.00 0.00 C ATOM 1625 CG PHE A 102 12.332 -3.065 6.291 1.00 0.00 C ATOM 1626 CD1 PHE A 102 12.953 -3.441 5.094 1.00 0.00 C ATOM 1627 CD2 PHE A 102 11.878 -4.044 7.182 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.123 -4.797 4.789 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.047 -5.400 6.877 1.00 0.00 C ATOM 1630 CZ PHE A 102 12.669 -5.777 5.681 1.00 0.00 C ATOM 0 H PHE A 102 10.071 -2.501 5.433 1.00 0.00 H new ATOM 0 HA PHE A 102 10.629 -1.531 8.147 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.379 -0.994 5.748 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.847 -1.311 7.407 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.301 -2.685 4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.397 -3.754 8.105 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.604 -5.087 3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.697 -6.156 7.565 1.00 0.00 H new ATOM 0 HZ PHE A 102 12.799 -6.823 5.446 1.00 0.00 H new ATOM 1640 N LEU A 103 10.046 0.851 7.823 1.00 0.00 N ATOM 1641 CA LEU A 103 9.669 2.254 7.669 1.00 0.00 C ATOM 1642 C LEU A 103 10.749 3.157 8.234 1.00 0.00 C ATOM 1643 O LEU A 103 11.291 2.898 9.307 1.00 0.00 O ATOM 1644 CB LEU A 103 8.340 2.522 8.388 1.00 0.00 C ATOM 1645 CG LEU A 103 7.176 2.400 7.400 1.00 0.00 C ATOM 1646 CD1 LEU A 103 7.183 3.574 6.421 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.290 1.084 6.624 1.00 0.00 C ATOM 0 H LEU A 103 10.062 0.522 8.788 1.00 0.00 H new ATOM 0 HA LEU A 103 9.552 2.468 6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.210 1.813 9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.350 3.519 8.829 1.00 0.00 H new ATOM 0 HG LEU A 103 6.241 2.413 7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.350 3.473 5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.083 4.509 6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.121 3.579 5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.460 1.002 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.232 1.066 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.260 0.247 7.321 1.00 0.00 H new ATOM 1659 N LYS A 104 11.062 4.220 7.497 1.00 0.00 N ATOM 1660 CA LYS A 104 12.086 5.153 7.933 1.00 0.00 C ATOM 1661 C LYS A 104 11.702 6.582 7.576 1.00 0.00 C ATOM 1662 O LYS A 104 11.436 6.890 6.415 1.00 0.00 O ATOM 1663 CB LYS A 104 13.416 4.789 7.276 1.00 0.00 C ATOM 1664 CG LYS A 104 14.427 5.932 7.469 1.00 0.00 C ATOM 1665 CD LYS A 104 15.839 5.472 7.088 1.00 0.00 C ATOM 1666 CE LYS A 104 16.135 5.890 5.647 1.00 0.00 C ATOM 1667 NZ LYS A 104 17.345 5.169 5.168 1.00 0.00 N ATOM 0 H LYS A 104 10.624 4.451 6.605 1.00 0.00 H new ATOM 0 HA LYS A 104 12.183 5.088 9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.807 3.869 7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.266 4.600 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 104 14.139 6.787 6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.415 6.265 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.572 5.912 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.921 4.390 7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.283 5.661 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.294 6.967 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.551 5.450 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.155 5.409 5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.176 4.144 5.206 1.00 0.00 H new ATOM 1681 N GLU A 105 11.680 7.449 8.584 1.00 0.00 N ATOM 1682 CA GLU A 105 11.333 8.849 8.372 1.00 0.00 C ATOM 1683 C GLU A 105 12.546 9.741 8.609 1.00 0.00 C ATOM 1684 O GLU A 105 13.146 9.716 9.684 1.00 0.00 O ATOM 1685 CB GLU A 105 10.208 9.258 9.323 1.00 0.00 C ATOM 1686 CG GLU A 105 9.595 10.581 8.855 1.00 0.00 C ATOM 1687 CD GLU A 105 8.206 10.338 8.275 1.00 0.00 C ATOM 1688 OE1 GLU A 105 8.015 9.305 7.654 1.00 0.00 O ATOM 1689 OE2 GLU A 105 7.352 11.189 8.459 1.00 0.00 O ATOM 0 H GLU A 105 11.897 7.208 9.551 1.00 0.00 H new ATOM 0 HA GLU A 105 11.000 8.969 7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.443 8.482 9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.595 9.363 10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.532 11.278 9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.236 11.042 8.104 1.00 0.00 H new ATOM 1696 N VAL A 106 12.899 10.529 7.598 1.00 0.00 N ATOM 1697 CA VAL A 106 14.042 11.430 7.702 1.00 0.00 C ATOM 1698 C VAL A 106 13.686 12.812 7.166 1.00 0.00 C ATOM 1699 O VAL A 106 13.091 12.941 6.101 1.00 0.00 O ATOM 1700 CB VAL A 106 15.226 10.868 6.916 1.00 0.00 C ATOM 1701 CG1 VAL A 106 16.237 11.984 6.648 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.895 9.764 7.734 1.00 0.00 C ATOM 0 H VAL A 106 12.413 10.562 6.702 1.00 0.00 H new ATOM 0 HA VAL A 106 14.314 11.518 8.754 1.00 0.00 H new ATOM 0 HB VAL A 106 14.875 10.461 5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 106 17.081 11.583 6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.760 12.775 6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 106 16.591 12.390 7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.740 9.360 7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.247 10.175 8.680 1.00 0.00 H new ATOM 0 HG23 VAL A 106 15.176 8.969 7.929 1.00 0.00 H new ATOM 1712 N ASN A 107 14.055 13.846 7.912 1.00 0.00 N ATOM 1713 CA ASN A 107 13.766 15.213 7.496 1.00 0.00 C ATOM 1714 C ASN A 107 12.286 15.374 7.167 1.00 0.00 C ATOM 1715 O ASN A 107 11.931 16.015 6.180 1.00 0.00 O ATOM 1716 CB ASN A 107 14.602 15.572 6.266 1.00 0.00 C ATOM 1717 CG ASN A 107 16.085 15.535 6.616 1.00 0.00 C ATOM 1718 OD1 ASN A 107 16.461 15.035 7.761 1.00 0.00 O flip ATOM 1719 ND2 ASN A 107 16.922 15.973 5.828 1.00 0.00 N flip ATOM 0 H ASN A 107 14.550 13.766 8.800 1.00 0.00 H new ATOM 0 HA ASN A 107 14.019 15.882 8.318 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.393 14.872 5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 107 14.329 16.564 5.907 1.00 0.00 H new ATOM 0 HD21 ASN A 107 16.625 16.363 4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.913 15.946 6.069 1.00 0.00 H new ATOM 1726 N ASP A 108 11.428 14.793 8.001 1.00 0.00 N ATOM 1727 CA ASP A 108 9.986 14.882 7.789 1.00 0.00 C ATOM 1728 C ASP A 108 9.588 14.193 6.485 1.00 0.00 C ATOM 1729 O ASP A 108 8.446 14.300 6.030 1.00 0.00 O ATOM 1730 CB ASP A 108 9.560 16.358 7.754 1.00 0.00 C ATOM 1731 CG ASP A 108 9.128 16.757 6.345 1.00 0.00 C ATOM 1732 OD1 ASP A 108 7.950 16.631 6.052 1.00 0.00 O ATOM 1733 OD2 ASP A 108 9.979 17.179 5.579 1.00 0.00 O ATOM 0 H ASP A 108 11.704 14.259 8.825 1.00 0.00 H new ATOM 0 HA ASP A 108 9.480 14.377 8.612 1.00 0.00 H new ATOM 0 HB2 ASP A 108 8.739 16.522 8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 108 10.387 16.989 8.080 1.00 0.00 H new ATOM 1738 N THR A 109 10.533 13.476 5.884 1.00 0.00 N ATOM 1739 CA THR A 109 10.265 12.783 4.632 1.00 0.00 C ATOM 1740 C THR A 109 9.981 11.316 4.887 1.00 0.00 C ATOM 1741 O THR A 109 10.670 10.665 5.675 1.00 0.00 O ATOM 1742 CB THR A 109 11.466 12.904 3.699 1.00 0.00 C ATOM 1743 OG1 THR A 109 11.928 14.249 3.696 1.00 0.00 O ATOM 1744 CG2 THR A 109 11.058 12.504 2.283 1.00 0.00 C ATOM 0 H THR A 109 11.482 13.361 6.241 1.00 0.00 H new ATOM 0 HA THR A 109 9.392 13.242 4.168 1.00 0.00 H new ATOM 0 HB THR A 109 12.262 12.245 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.422 14.427 4.524 1.00 0.00 H new ATOM 0 HG21 THR A 109 11.917 12.591 1.618 1.00 0.00 H new ATOM 0 HG22 THR A 109 10.703 11.473 2.284 1.00 0.00 H new ATOM 0 HG23 THR A 109 10.262 13.161 1.934 1.00 0.00 H new ATOM 1752 N LEU A 110 8.960 10.799 4.218 1.00 0.00 N ATOM 1753 CA LEU A 110 8.594 9.405 4.388 1.00 0.00 C ATOM 1754 C LEU A 110 9.450 8.518 3.489 1.00 0.00 C ATOM 1755 O LEU A 110 9.263 8.503 2.269 1.00 0.00 O ATOM 1756 CB LEU A 110 7.119 9.196 4.044 1.00 0.00 C ATOM 1757 CG LEU A 110 6.530 8.086 4.925 1.00 0.00 C ATOM 1758 CD1 LEU A 110 5.121 7.733 4.431 1.00 0.00 C ATOM 1759 CD2 LEU A 110 7.408 6.827 4.860 1.00 0.00 C ATOM 0 H LEU A 110 8.378 11.318 3.561 1.00 0.00 H new ATOM 0 HA LEU A 110 8.763 9.134 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.566 10.123 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.016 8.931 2.992 1.00 0.00 H new ATOM 0 HG LEU A 110 6.489 8.444 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.703 6.945 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.484 8.616 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.173 7.387 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.976 6.049 5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.460 6.472 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.412 7.065 5.213 1.00 0.00 H new ATOM 1771 N LEU A 111 10.383 7.783 4.094 1.00 0.00 N ATOM 1772 CA LEU A 111 11.263 6.902 3.336 1.00 0.00 C ATOM 1773 C LEU A 111 11.049 5.453 3.745 1.00 0.00 C ATOM 1774 O LEU A 111 11.394 5.046 4.855 1.00 0.00 O ATOM 1775 CB LEU A 111 12.726 7.304 3.572 1.00 0.00 C ATOM 1776 CG LEU A 111 12.910 8.794 3.255 1.00 0.00 C ATOM 1777 CD1 LEU A 111 14.371 9.170 3.374 1.00 0.00 C ATOM 1778 CD2 LEU A 111 12.486 9.057 1.820 1.00 0.00 C ATOM 0 H LEU A 111 10.546 7.782 5.101 1.00 0.00 H new ATOM 0 HA LEU A 111 11.029 6.999 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 111 13.006 7.105 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.384 6.704 2.943 1.00 0.00 H new ATOM 0 HG LEU A 111 12.310 9.376 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 111 14.494 10.229 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 111 14.716 8.974 4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.957 8.578 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.615 10.115 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.100 8.461 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.438 8.784 1.694 1.00 0.00 H new ATOM 1790 N VAL A 112 10.483 4.676 2.834 1.00 0.00 N ATOM 1791 CA VAL A 112 10.232 3.270 3.109 1.00 0.00 C ATOM 1792 C VAL A 112 11.320 2.419 2.468 1.00 0.00 C ATOM 1793 O VAL A 112 11.726 2.678 1.340 1.00 0.00 O ATOM 1794 CB VAL A 112 8.859 2.856 2.561 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.431 3.822 1.451 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.913 1.415 2.013 1.00 0.00 C ATOM 0 H VAL A 112 10.192 4.990 1.908 1.00 0.00 H new ATOM 0 HA VAL A 112 10.240 3.116 4.188 1.00 0.00 H new ATOM 0 HB VAL A 112 8.130 2.894 3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.456 3.524 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.369 4.833 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.164 3.797 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.932 1.135 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.648 1.358 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.197 0.732 2.813 1.00 0.00 H new ATOM 1806 N ASN A 113 11.776 1.401 3.194 1.00 0.00 N ATOM 1807 CA ASN A 113 12.812 0.507 2.684 1.00 0.00 C ATOM 1808 C ASN A 113 14.045 1.300 2.267 1.00 0.00 C ATOM 1809 O ASN A 113 15.040 1.345 2.991 1.00 0.00 O ATOM 1810 CB ASN A 113 12.277 -0.286 1.485 1.00 0.00 C ATOM 1811 CG ASN A 113 11.530 -1.526 1.969 1.00 0.00 C ATOM 1812 OD1 ASN A 113 10.881 -1.488 3.099 1.00 0.00 O flip ATOM 1813 ND2 ASN A 113 11.539 -2.559 1.297 1.00 0.00 N flip ATOM 0 H ASN A 113 11.446 1.175 4.133 1.00 0.00 H new ATOM 0 HA ASN A 113 13.092 -0.185 3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.611 0.341 0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 113 13.102 -0.579 0.835 1.00 0.00 H new ATOM 0 HD21 ASN A 113 12.047 -2.588 0.413 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.038 -3.385 1.625 1.00 0.00 H new ATOM 1820 N GLU A 114 13.966 1.932 1.102 1.00 0.00 N ATOM 1821 CA GLU A 114 15.075 2.730 0.600 1.00 0.00 C ATOM 1822 C GLU A 114 14.628 3.592 -0.576 1.00 0.00 C ATOM 1823 O GLU A 114 15.253 3.584 -1.635 1.00 0.00 O ATOM 1824 CB GLU A 114 16.222 1.818 0.165 1.00 0.00 C ATOM 1825 CG GLU A 114 17.528 2.613 0.149 1.00 0.00 C ATOM 1826 CD GLU A 114 18.415 2.133 -0.993 1.00 0.00 C ATOM 1827 OE1 GLU A 114 18.718 0.953 -1.026 1.00 0.00 O ATOM 1828 OE2 GLU A 114 18.778 2.954 -1.820 1.00 0.00 O ATOM 0 H GLU A 114 13.150 1.907 0.491 1.00 0.00 H new ATOM 0 HA GLU A 114 15.419 3.384 1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.307 0.972 0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.020 1.410 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.315 3.676 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.048 2.494 1.099 1.00 0.00 H new ATOM 1835 N LEU A 115 13.543 4.339 -0.381 1.00 0.00 N ATOM 1836 CA LEU A 115 13.023 5.203 -1.433 1.00 0.00 C ATOM 1837 C LEU A 115 12.028 6.207 -0.863 1.00 0.00 C ATOM 1838 O LEU A 115 11.442 5.987 0.204 1.00 0.00 O ATOM 1839 CB LEU A 115 12.346 4.350 -2.511 1.00 0.00 C ATOM 1840 CG LEU A 115 11.001 3.832 -1.967 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.876 4.857 -2.189 1.00 0.00 C ATOM 1842 CD2 LEU A 115 10.641 2.521 -2.671 1.00 0.00 C ATOM 0 H LEU A 115 13.012 4.362 0.490 1.00 0.00 H new ATOM 0 HA LEU A 115 13.853 5.755 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 115 12.185 4.941 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.988 3.514 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 115 11.106 3.668 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.940 4.461 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.123 5.786 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.766 5.051 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.690 2.152 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.558 2.695 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.419 1.781 -2.483 1.00 0.00 H new ATOM 1854 N LYS A 116 11.854 7.316 -1.578 1.00 0.00 N ATOM 1855 CA LYS A 116 10.942 8.361 -1.140 1.00 0.00 C ATOM 1856 C LYS A 116 9.552 8.167 -1.728 1.00 0.00 C ATOM 1857 O LYS A 116 9.396 7.837 -2.903 1.00 0.00 O ATOM 1858 CB LYS A 116 11.482 9.729 -1.543 1.00 0.00 C ATOM 1859 CG LYS A 116 10.366 10.776 -1.434 1.00 0.00 C ATOM 1860 CD LYS A 116 10.978 12.170 -1.257 1.00 0.00 C ATOM 1861 CE LYS A 116 12.008 12.421 -2.349 1.00 0.00 C ATOM 1862 NZ LYS A 116 12.074 13.878 -2.651 1.00 0.00 N ATOM 0 H LYS A 116 12.331 7.511 -2.458 1.00 0.00 H new ATOM 0 HA LYS A 116 10.865 8.303 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.317 10.005 -0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.863 9.694 -2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 116 9.744 10.753 -2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.718 10.543 -0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.197 12.929 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.447 12.250 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.986 12.061 -2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.742 11.865 -3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.778 14.046 -3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.142 14.208 -2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.348 14.398 -1.793 1.00 0.00 H new ATOM 1876 N SER A 117 8.545 8.385 -0.895 1.00 0.00 N ATOM 1877 CA SER A 117 7.163 8.226 -1.342 1.00 0.00 C ATOM 1878 C SER A 117 6.700 9.455 -2.113 1.00 0.00 C ATOM 1879 O SER A 117 7.301 10.524 -2.013 1.00 0.00 O ATOM 1880 CB SER A 117 6.235 7.999 -0.152 1.00 0.00 C ATOM 1881 OG SER A 117 5.374 6.902 -0.430 1.00 0.00 O ATOM 0 H SER A 117 8.652 8.668 0.079 1.00 0.00 H new ATOM 0 HA SER A 117 7.125 7.357 -1.999 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.819 7.799 0.746 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.648 8.897 0.043 1.00 0.00 H new ATOM 0 HG SER A 117 4.534 7.234 -0.810 1.00 0.00 H new ATOM 1887 N LYS A 118 5.625 9.296 -2.876 1.00 0.00 N ATOM 1888 CA LYS A 118 5.088 10.404 -3.657 1.00 0.00 C ATOM 1889 C LYS A 118 4.026 11.142 -2.860 1.00 0.00 C ATOM 1890 O LYS A 118 3.861 12.354 -2.995 1.00 0.00 O ATOM 1891 CB LYS A 118 4.475 9.882 -4.954 1.00 0.00 C ATOM 1892 CG LYS A 118 5.586 9.437 -5.912 1.00 0.00 C ATOM 1893 CD LYS A 118 5.714 10.419 -7.084 1.00 0.00 C ATOM 1894 CE LYS A 118 6.231 11.767 -6.577 1.00 0.00 C ATOM 1895 NZ LYS A 118 6.693 12.583 -7.731 1.00 0.00 N ATOM 0 H LYS A 118 5.112 8.419 -2.970 1.00 0.00 H new ATOM 0 HA LYS A 118 5.903 11.089 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.809 9.046 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.871 10.660 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.533 9.377 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.369 8.438 -6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.395 10.017 -7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.746 10.549 -7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.442 12.292 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.050 11.614 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.045 13.500 -7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.458 12.082 -8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.900 12.739 -8.386 1.00 0.00 H new ATOM 1909 N GLU A 119 3.307 10.401 -2.027 1.00 0.00 N ATOM 1910 CA GLU A 119 2.259 11.002 -1.203 1.00 0.00 C ATOM 1911 C GLU A 119 1.831 10.047 -0.097 1.00 0.00 C ATOM 1912 O GLU A 119 1.751 8.839 -0.301 1.00 0.00 O ATOM 1913 CB GLU A 119 1.049 11.371 -2.070 1.00 0.00 C ATOM 1914 CG GLU A 119 0.503 12.737 -1.642 1.00 0.00 C ATOM 1915 CD GLU A 119 1.379 13.854 -2.204 1.00 0.00 C ATOM 1916 OE1 GLU A 119 0.931 14.528 -3.118 1.00 0.00 O ATOM 1917 OE2 GLU A 119 2.484 14.023 -1.713 1.00 0.00 O ATOM 0 H GLU A 119 3.425 9.396 -1.902 1.00 0.00 H new ATOM 0 HA GLU A 119 2.660 11.907 -0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.337 11.397 -3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.273 10.612 -1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.521 12.855 -1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.473 12.800 -0.554 1.00 0.00 H new ATOM 1924 N SER A 120 1.555 10.593 1.079 1.00 0.00 N ATOM 1925 CA SER A 120 1.141 9.769 2.207 1.00 0.00 C ATOM 1926 C SER A 120 0.514 10.628 3.292 1.00 0.00 C ATOM 1927 O SER A 120 0.687 11.844 3.307 1.00 0.00 O ATOM 1928 CB SER A 120 2.350 9.030 2.784 1.00 0.00 C ATOM 1929 OG SER A 120 3.513 9.828 2.610 1.00 0.00 O ATOM 0 H SER A 120 1.609 11.592 1.277 1.00 0.00 H new ATOM 0 HA SER A 120 0.404 9.048 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.193 8.822 3.842 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.476 8.069 2.285 1.00 0.00 H new ATOM 0 HG SER A 120 4.267 9.256 2.357 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.214 9.988 4.199 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.861 10.712 5.295 1.00 0.00 C ATOM 1937 C ASP A 121 -2.167 11.349 4.828 1.00 0.00 C ATOM 1938 O ASP A 121 -2.744 12.187 5.520 1.00 0.00 O ATOM 1939 CB ASP A 121 0.073 11.803 5.840 1.00 0.00 C ATOM 1940 CG ASP A 121 -0.156 11.985 7.338 1.00 0.00 C ATOM 1941 OD1 ASP A 121 0.683 11.539 8.103 1.00 0.00 O ATOM 1942 OD2 ASP A 121 -1.165 12.571 7.698 1.00 0.00 O ATOM 0 H ASP A 121 -0.372 8.980 4.202 1.00 0.00 H new ATOM 0 HA ASP A 121 -1.081 9.996 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.112 11.531 5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -0.109 12.743 5.319 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.625 10.945 3.653 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.860 11.481 3.098 1.00 0.00 C ATOM 1949 C ILE A 122 -4.979 11.435 4.130 1.00 0.00 C ATOM 1950 O ILE A 122 -5.854 12.303 4.150 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.258 10.678 1.857 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.398 11.113 0.663 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.729 10.923 1.530 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -1.915 10.916 0.982 1.00 0.00 C ATOM 0 H ILE A 122 -2.163 10.250 3.067 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.695 12.521 2.818 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.101 9.618 2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.668 10.533 -0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.591 12.160 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -6.006 10.349 0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.346 10.611 2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -5.887 11.984 1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.314 11.228 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -1.647 11.516 1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.725 9.864 1.194 1.00 0.00 H new ATOM 1966 N MET A 123 -4.949 10.421 4.985 1.00 0.00 N ATOM 1967 CA MET A 123 -5.954 10.264 6.006 1.00 0.00 C ATOM 1968 C MET A 123 -7.305 9.930 5.399 1.00 0.00 C ATOM 1969 O MET A 123 -7.800 10.640 4.521 1.00 0.00 O ATOM 1970 CB MET A 123 -6.049 11.541 6.820 1.00 0.00 C ATOM 1971 CG MET A 123 -6.011 11.203 8.294 1.00 0.00 C ATOM 1972 SD MET A 123 -4.423 10.450 8.745 1.00 0.00 S ATOM 1973 CE MET A 123 -5.072 8.890 9.407 1.00 0.00 C ATOM 0 H MET A 123 -4.232 9.696 4.984 1.00 0.00 H new ATOM 0 HA MET A 123 -5.665 9.436 6.654 1.00 0.00 H new ATOM 0 HB2 MET A 123 -5.225 12.208 6.568 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.972 12.070 6.581 1.00 0.00 H new ATOM 0 HG2 MET A 123 -6.170 12.107 8.883 1.00 0.00 H new ATOM 0 HG3 MET A 123 -6.824 10.518 8.535 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.255 8.179 9.531 1.00 0.00 H new ATOM 0 HE2 MET A 123 -5.544 9.073 10.372 1.00 0.00 H new ATOM 0 HE3 MET A 123 -5.808 8.479 8.716 1.00 0.00 H new ATOM 1983 N THR A 124 -7.894 8.839 5.877 1.00 0.00 N ATOM 1984 CA THR A 124 -9.199 8.409 5.378 1.00 0.00 C ATOM 1985 C THR A 124 -10.138 8.069 6.530 1.00 0.00 C ATOM 1986 O THR A 124 -9.806 8.276 7.696 1.00 0.00 O ATOM 1987 CB THR A 124 -9.051 7.191 4.469 1.00 0.00 C ATOM 1988 OG1 THR A 124 -8.361 6.162 5.163 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.268 7.577 3.212 1.00 0.00 C ATOM 0 H THR A 124 -7.496 8.241 6.601 1.00 0.00 H new ATOM 0 HA THR A 124 -9.624 9.235 4.808 1.00 0.00 H new ATOM 0 HB THR A 124 -10.040 6.834 4.181 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.193 6.446 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.164 6.705 2.566 1.00 0.00 H new ATOM 0 HG22 THR A 124 -8.802 8.363 2.678 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.279 7.938 3.496 1.00 0.00 H new ATOM 1997 N THR A 125 -11.318 7.555 6.192 1.00 0.00 N ATOM 1998 CA THR A 125 -12.302 7.192 7.211 1.00 0.00 C ATOM 1999 C THR A 125 -12.091 5.759 7.691 1.00 0.00 C ATOM 2000 O THR A 125 -12.675 5.341 8.692 1.00 0.00 O ATOM 2001 CB THR A 125 -13.717 7.342 6.652 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.136 6.102 6.100 1.00 0.00 O ATOM 2003 CG2 THR A 125 -13.726 8.418 5.566 1.00 0.00 C ATOM 0 H THR A 125 -11.615 7.381 5.232 1.00 0.00 H new ATOM 0 HA THR A 125 -12.172 7.864 8.059 1.00 0.00 H new ATOM 0 HB THR A 125 -14.398 7.633 7.452 1.00 0.00 H new ATOM 0 HG1 THR A 125 -13.932 6.085 5.142 1.00 0.00 H new ATOM 0 HG21 THR A 125 -14.735 8.525 5.168 1.00 0.00 H new ATOM 0 HG22 THR A 125 -13.402 9.368 5.992 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.048 8.130 4.763 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.258 5.013 6.969 1.00 0.00 N ATOM 2012 CA ASN A 126 -10.973 3.623 7.323 1.00 0.00 C ATOM 2013 C ASN A 126 -9.500 3.448 7.682 1.00 0.00 C ATOM 2014 O ASN A 126 -9.056 2.351 8.026 1.00 0.00 O ATOM 2015 CB ASN A 126 -11.329 2.707 6.156 1.00 0.00 C ATOM 2016 CG ASN A 126 -12.153 1.529 6.644 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -11.853 0.968 7.778 1.00 0.00 O flip ATOM 2018 ND2 ASN A 126 -13.093 1.107 5.973 1.00 0.00 N flip ATOM 0 H ASN A 126 -10.769 5.346 6.138 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.577 3.358 8.191 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.888 3.264 5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -10.419 2.349 5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -13.325 1.550 5.084 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -13.641 0.314 6.305 1.00 0.00 H new ATOM 2025 N GLY A 127 -8.745 4.534 7.601 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.325 4.483 7.933 1.00 0.00 C ATOM 2027 C GLY A 127 -6.553 5.569 7.200 1.00 0.00 C ATOM 2028 O GLY A 127 -7.017 6.704 7.089 1.00 0.00 O ATOM 0 H GLY A 127 -9.084 5.451 7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.195 4.603 9.009 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -6.922 3.505 7.670 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.373 5.214 6.706 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.541 6.166 5.986 1.00 0.00 C ATOM 2034 C VAL A 128 -4.063 5.570 4.678 1.00 0.00 C ATOM 2035 O VAL A 128 -4.125 4.356 4.479 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.334 6.547 6.838 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.273 5.447 6.757 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -2.731 7.861 6.341 1.00 0.00 C ATOM 0 H VAL A 128 -4.974 4.279 6.791 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.136 7.054 5.775 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.661 6.667 7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.414 5.725 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.691 4.510 7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.957 5.322 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.870 8.122 6.957 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.414 7.747 5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.478 8.652 6.407 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.589 6.437 3.788 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.101 5.993 2.490 1.00 0.00 C ATOM 2050 C ILE A 129 -1.614 6.301 2.323 1.00 0.00 C ATOM 2051 O ILE A 129 -1.110 7.314 2.834 1.00 0.00 O ATOM 2052 CB ILE A 129 -3.886 6.688 1.368 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.338 6.895 1.809 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.856 5.840 0.095 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.138 7.534 0.670 1.00 0.00 C ATOM 0 H ILE A 129 -3.533 7.444 3.942 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.244 4.914 2.432 1.00 0.00 H new ATOM 0 HB ILE A 129 -3.424 7.653 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.783 5.940 2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -5.372 7.532 2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -4.416 6.345 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.824 5.702 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -4.307 4.868 0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.170 7.680 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -5.698 8.498 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -6.115 6.880 -0.202 1.00 0.00 H new ATOM 2067 N HIS A 130 -0.922 5.426 1.593 1.00 0.00 N ATOM 2068 CA HIS A 130 0.494 5.615 1.338 1.00 0.00 C ATOM 2069 C HIS A 130 0.785 5.401 -0.140 1.00 0.00 C ATOM 2070 O HIS A 130 0.731 4.279 -0.641 1.00 0.00 O ATOM 2071 CB HIS A 130 1.316 4.631 2.171 1.00 0.00 C ATOM 2072 CG HIS A 130 2.782 4.980 2.095 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.628 4.823 3.182 1.00 0.00 N ATOM 2074 CD2 HIS A 130 3.581 5.440 1.071 1.00 0.00 C ATOM 2075 CE1 HIS A 130 4.862 5.177 2.788 1.00 0.00 C ATOM 2076 NE2 HIS A 130 4.887 5.559 1.514 1.00 0.00 N ATOM 0 H HIS A 130 -1.322 4.587 1.173 1.00 0.00 H new ATOM 0 HA HIS A 130 0.769 6.632 1.617 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.983 4.655 3.208 1.00 0.00 H new ATOM 0 HB3 HIS A 130 1.157 3.615 1.808 1.00 0.00 H new ATOM 0 HD1 HIS A 130 3.362 4.498 4.111 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.240 5.673 0.073 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.731 5.154 3.429 1.00 0.00 H new ATOM 0 HE2 HIS A 130 5.696 5.873 0.978 1.00 0.00 H new ATOM 2085 N VAL A 131 1.117 6.490 -0.822 1.00 0.00 N ATOM 2086 CA VAL A 131 1.437 6.439 -2.247 1.00 0.00 C ATOM 2087 C VAL A 131 2.944 6.368 -2.446 1.00 0.00 C ATOM 2088 O VAL A 131 3.670 7.311 -2.115 1.00 0.00 O ATOM 2089 CB VAL A 131 0.886 7.674 -2.962 1.00 0.00 C ATOM 2090 CG1 VAL A 131 1.061 7.509 -4.474 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -0.599 7.825 -2.639 1.00 0.00 C ATOM 0 H VAL A 131 1.172 7.422 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 131 0.976 5.546 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 131 1.426 8.560 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.668 8.389 -4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 131 2.120 7.396 -4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.520 6.624 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -0.994 8.704 -3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.137 6.939 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -0.727 7.940 -1.563 1.00 0.00 H new ATOM 2101 N VAL A 132 3.395 5.244 -2.992 1.00 0.00 N ATOM 2102 CA VAL A 132 4.824 5.038 -3.236 1.00 0.00 C ATOM 2103 C VAL A 132 5.139 5.108 -4.729 1.00 0.00 C ATOM 2104 O VAL A 132 4.238 5.072 -5.567 1.00 0.00 O ATOM 2105 CB VAL A 132 5.262 3.677 -2.685 1.00 0.00 C ATOM 2106 CG1 VAL A 132 5.069 3.656 -1.169 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.422 2.564 -3.321 1.00 0.00 C ATOM 0 H VAL A 132 2.800 4.465 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 132 5.371 5.831 -2.726 1.00 0.00 H new ATOM 0 HB VAL A 132 6.313 3.515 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.380 2.688 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.671 4.443 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.018 3.822 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.738 1.599 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.369 2.725 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.561 2.576 -4.402 1.00 0.00 H new ATOM 2117 N ASP A 133 6.430 5.219 -5.047 1.00 0.00 N ATOM 2118 CA ASP A 133 6.868 5.303 -6.435 1.00 0.00 C ATOM 2119 C ASP A 133 7.641 4.058 -6.834 1.00 0.00 C ATOM 2120 O ASP A 133 8.567 4.124 -7.644 1.00 0.00 O ATOM 2121 CB ASP A 133 7.746 6.537 -6.636 1.00 0.00 C ATOM 2122 CG ASP A 133 9.182 6.228 -6.236 1.00 0.00 C ATOM 2123 OD1 ASP A 133 9.366 5.393 -5.366 1.00 0.00 O ATOM 2124 OD2 ASP A 133 10.077 6.830 -6.805 1.00 0.00 O ATOM 0 H ASP A 133 7.186 5.252 -4.363 1.00 0.00 H new ATOM 0 HA ASP A 133 5.982 5.382 -7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.711 6.852 -7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 133 7.364 7.366 -6.039 1.00 0.00 H new ATOM 2129 N LYS A 134 7.237 2.915 -6.284 1.00 0.00 N ATOM 2130 CA LYS A 134 7.884 1.653 -6.616 1.00 0.00 C ATOM 2131 C LYS A 134 7.129 0.479 -6.002 1.00 0.00 C ATOM 2132 O LYS A 134 6.574 0.592 -4.910 1.00 0.00 O ATOM 2133 CB LYS A 134 9.313 1.666 -6.104 1.00 0.00 C ATOM 2134 CG LYS A 134 10.113 0.517 -6.725 1.00 0.00 C ATOM 2135 CD LYS A 134 11.071 -0.068 -5.678 1.00 0.00 C ATOM 2136 CE LYS A 134 10.280 -0.811 -4.591 1.00 0.00 C ATOM 2137 NZ LYS A 134 10.736 -2.228 -4.532 1.00 0.00 N ATOM 0 H LYS A 134 6.472 2.839 -5.613 1.00 0.00 H new ATOM 0 HA LYS A 134 7.882 1.535 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.784 2.618 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.318 1.575 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.436 -0.257 -7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 134 10.675 0.876 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.773 -0.750 -6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.660 0.731 -5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.427 -0.329 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 134 9.213 -0.769 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 10.006 -2.845 -4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.619 -2.331 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 10.902 -2.498 -3.542 1.00 0.00 H new ATOM 2151 N LEU A 135 7.119 -0.647 -6.705 1.00 0.00 N ATOM 2152 CA LEU A 135 6.432 -1.831 -6.209 1.00 0.00 C ATOM 2153 C LEU A 135 7.235 -2.476 -5.084 1.00 0.00 C ATOM 2154 O LEU A 135 8.359 -2.930 -5.295 1.00 0.00 O ATOM 2155 CB LEU A 135 6.234 -2.842 -7.347 1.00 0.00 C ATOM 2156 CG LEU A 135 5.696 -4.168 -6.789 1.00 0.00 C ATOM 2157 CD1 LEU A 135 4.407 -3.907 -6.007 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.405 -5.125 -7.944 1.00 0.00 C ATOM 0 H LEU A 135 7.574 -0.764 -7.610 1.00 0.00 H new ATOM 0 HA LEU A 135 5.458 -1.530 -5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.539 -2.440 -8.084 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.180 -3.012 -7.861 1.00 0.00 H new ATOM 0 HG LEU A 135 6.439 -4.612 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.025 -4.848 -5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.613 -3.224 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.663 -3.463 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.023 -6.066 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.662 -4.681 -8.606 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.323 -5.311 -8.502 1.00 0.00 H new ATOM 2170 N LEU A 136 6.654 -2.515 -3.894 1.00 0.00 N ATOM 2171 CA LEU A 136 7.323 -3.110 -2.746 1.00 0.00 C ATOM 2172 C LEU A 136 7.464 -4.611 -2.925 1.00 0.00 C ATOM 2173 O LEU A 136 6.798 -5.213 -3.770 1.00 0.00 O ATOM 2174 CB LEU A 136 6.527 -2.816 -1.473 1.00 0.00 C ATOM 2175 CG LEU A 136 6.846 -1.396 -0.990 1.00 0.00 C ATOM 2176 CD1 LEU A 136 8.291 -1.315 -0.476 1.00 0.00 C ATOM 2177 CD2 LEU A 136 6.669 -0.415 -2.155 1.00 0.00 C ATOM 0 H LEU A 136 5.725 -2.143 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 136 8.319 -2.675 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.459 -2.915 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.778 -3.541 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 136 6.167 -1.139 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 136 8.500 -0.300 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 136 8.421 -2.009 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 136 8.978 -1.578 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.895 0.596 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.346 -0.686 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.640 -0.457 -2.513 1.00 0.00 H new ATOM 2189 N TYR A 137 8.329 -5.214 -2.124 1.00 0.00 N ATOM 2190 CA TYR A 137 8.532 -6.645 -2.209 1.00 0.00 C ATOM 2191 C TYR A 137 8.768 -7.242 -0.823 1.00 0.00 C ATOM 2192 O TYR A 137 9.224 -6.538 0.075 1.00 0.00 O ATOM 2193 CB TYR A 137 9.738 -6.946 -3.097 1.00 0.00 C ATOM 2194 CG TYR A 137 9.336 -6.797 -4.540 1.00 0.00 C ATOM 2195 CD1 TYR A 137 9.848 -5.743 -5.300 1.00 0.00 C ATOM 2196 CD2 TYR A 137 8.440 -7.705 -5.114 1.00 0.00 C ATOM 2197 CE1 TYR A 137 9.471 -5.599 -6.638 1.00 0.00 C ATOM 2198 CE2 TYR A 137 8.062 -7.563 -6.455 1.00 0.00 C ATOM 2199 CZ TYR A 137 8.577 -6.507 -7.215 1.00 0.00 C ATOM 2200 OH TYR A 137 8.205 -6.361 -8.536 1.00 0.00 O ATOM 0 H TYR A 137 8.893 -4.740 -1.418 1.00 0.00 H new ATOM 0 HA TYR A 137 7.635 -7.092 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 137 10.557 -6.266 -2.863 1.00 0.00 H new ATOM 0 HB3 TYR A 137 10.100 -7.957 -2.910 1.00 0.00 H new ATOM 0 HD1 TYR A 137 10.535 -5.039 -4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 137 8.040 -8.516 -4.523 1.00 0.00 H new ATOM 0 HE1 TYR A 137 9.870 -4.786 -7.227 1.00 0.00 H new ATOM 0 HE2 TYR A 137 7.375 -8.267 -6.901 1.00 0.00 H new ATOM 0 HH TYR A 137 7.531 -7.036 -8.763 1.00 0.00 H new ATOM 2210 N PRO A 138 8.492 -8.519 -0.636 1.00 0.00 N ATOM 2211 CA PRO A 138 8.722 -9.213 0.672 1.00 0.00 C ATOM 2212 C PRO A 138 10.145 -9.004 1.209 1.00 0.00 C ATOM 2213 O PRO A 138 10.703 -7.914 1.124 1.00 0.00 O ATOM 2214 CB PRO A 138 8.488 -10.692 0.341 1.00 0.00 C ATOM 2215 CG PRO A 138 7.586 -10.694 -0.842 1.00 0.00 C ATOM 2216 CD PRO A 138 7.910 -9.441 -1.634 1.00 0.00 C ATOM 0 HA PRO A 138 8.066 -8.827 1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 138 9.427 -11.198 0.120 1.00 0.00 H new ATOM 0 HB3 PRO A 138 8.034 -11.216 1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 138 7.743 -11.587 -1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 138 6.541 -10.698 -0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.613 -9.650 -2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 138 7.016 -9.018 -2.093 1.00 0.00 H new ATOM 2224 N ALA A 139 10.725 -10.065 1.762 1.00 0.00 N ATOM 2225 CA ALA A 139 12.079 -9.987 2.308 1.00 0.00 C ATOM 2226 C ALA A 139 13.040 -10.838 1.490 1.00 0.00 C ATOM 2227 O ALA A 139 14.257 -10.676 1.577 1.00 0.00 O ATOM 2228 CB ALA A 139 12.077 -10.463 3.758 1.00 0.00 C ATOM 0 H ALA A 139 10.285 -10.982 1.844 1.00 0.00 H new ATOM 0 HA ALA A 139 12.411 -8.950 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 139 13.088 -10.404 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 139 11.413 -9.831 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 139 11.729 -11.495 3.802 1.00 0.00 H new ATOM 2234 N ASP A 140 12.485 -11.742 0.696 1.00 0.00 N ATOM 2235 CA ASP A 140 13.301 -12.617 -0.138 1.00 0.00 C ATOM 2236 C ASP A 140 12.610 -12.889 -1.471 1.00 0.00 C ATOM 2237 O ASP A 140 12.121 -11.971 -2.129 1.00 0.00 O ATOM 2238 CB ASP A 140 13.555 -13.940 0.587 1.00 0.00 C ATOM 2239 CG ASP A 140 14.635 -14.734 -0.139 1.00 0.00 C ATOM 2240 OD1 ASP A 140 14.912 -15.844 0.287 1.00 0.00 O ATOM 2241 OD2 ASP A 140 15.168 -14.223 -1.109 1.00 0.00 O ATOM 0 H ASP A 140 11.479 -11.890 0.611 1.00 0.00 H new ATOM 0 HA ASP A 140 14.251 -12.119 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 140 13.863 -13.748 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 140 12.634 -14.521 0.633 1.00 0.00 H new TER 2246 ASP A 140