USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 842 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 54 HIS : no HD1:sc= -0.0177 X(o=-0.031,f=0) USER MOD Set 1.2: A 55 SER OG : rot 180:sc= -0.0137 USER MOD Set 2.1: A 46 MET CE :methyl 139:sc= -0.815 (180deg=-3.19!) USER MOD Set 2.2: A 91 SER OG : rot 132:sc= -0.779 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 30 TYR OH : rot 61:sc= 0.109 USER MOD Set 3.3: A 40 SER OG : rot 91:sc= 0.383 USER MOD Set 3.4: A 43 SER OG : rot 180:sc= 1.01 USER MOD Set 4.1: A 9 THR OG1 : rot -60:sc= 2.13 USER MOD Set 4.2: A 13 THR OG1 : rot 143:sc= 1.28 USER MOD Set 4.3: A 16 GLN : amide:sc= -4.93! C(o=-1.5!,f=-5.5!) USER MOD Single : A 1 MET CE :methyl 177:sc= -0.683 (180deg=-0.828) USER MOD Single : A 6 TYR OH : rot -28:sc= 0.0284 USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0628) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 GLY N :NH3+ -111:sc= -1.58! (180deg=-4.42!) USER MOD Single : A 10 ASN : amide:sc= -0.0665 K(o=-0.067,f=-4.2!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0321 K(o=-0.032,f=-1) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -90:sc= 1.05 USER MOD Single : A 33 GLN : amide:sc= -0.0162 X(o=-0.016,f=-0.22) USER MOD Single : A 37 CYS SG : rot -29:sc= 0.0164 USER MOD Single : A 38 LYS NZ :NH3+ -178:sc= 0.564 (180deg=0.469) USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.12) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -36:sc= -0.493 USER MOD Single : A 52 LYS NZ :NH3+ 144:sc= 2.24 (180deg=1.44) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.206 F(o=-2.3!,f=-0.21) USER MOD Single : A 59 THR OG1 : rot 17:sc= 0.501 USER MOD Single : A 61 MET CE :methyl 165:sc=-0.00535 (180deg=-0.396) USER MOD Single : A 69 GLN : amide:sc= 0.0596 K(o=0.06,f=-2.5!) USER MOD Single : A 70 HIS : no HD1:sc= -0.315 X(o=-0.31,f=-0.31) USER MOD Single : A 72 TYR OH : rot 30:sc= -0.0317 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -2.15 K(o=-2.2,f=-4.4!) USER MOD Single : A 82 GLN : amide:sc= 0.601 K(o=0.6,f=-0.028) USER MOD Single : A 90 SER OG : rot 77:sc= -1.14! USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00877) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 25:sc= 0.702 USER MOD Single : A 98 THR OG1 : rot 19:sc= 0.877 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -7 -12.754 1.857 7.704 1.00 0.00 N ATOM 2 CA GLY A -7 -13.109 2.621 6.484 1.00 0.00 C ATOM 3 C GLY A -7 -13.060 4.115 6.720 1.00 0.00 C ATOM 4 O GLY A -7 -13.088 4.553 7.868 1.00 0.00 O ATOM 0 H1 GLY A -7 -11.836 1.388 7.565 1.00 0.00 H new ATOM 0 H2 GLY A -7 -12.692 2.506 8.514 1.00 0.00 H new ATOM 0 H3 GLY A -7 -13.485 1.141 7.890 1.00 0.00 H new ATOM 0 HA2 GLY A -7 -12.423 2.358 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A -7 -14.109 2.338 6.156 1.00 0.00 H new ATOM 10 N PRO A -6 -12.964 4.924 5.650 1.00 0.00 N ATOM 11 CA PRO A -6 -12.957 6.386 5.757 1.00 0.00 C ATOM 12 C PRO A -6 -14.266 6.906 6.335 1.00 0.00 C ATOM 13 O PRO A -6 -15.350 6.554 5.861 1.00 0.00 O ATOM 14 CB PRO A -6 -12.782 6.866 4.309 1.00 0.00 C ATOM 15 CG PRO A -6 -12.262 5.683 3.569 1.00 0.00 C ATOM 16 CD PRO A -6 -12.853 4.484 4.251 1.00 0.00 C ATOM 0 HA PRO A -6 -12.172 6.745 6.423 1.00 0.00 H new ATOM 0 HB2 PRO A -6 -13.728 7.209 3.890 1.00 0.00 H new ATOM 0 HB3 PRO A -6 -12.087 7.703 4.252 1.00 0.00 H new ATOM 0 HG2 PRO A -6 -12.553 5.719 2.519 1.00 0.00 H new ATOM 0 HG3 PRO A -6 -11.173 5.652 3.597 1.00 0.00 H new ATOM 0 HD2 PRO A -6 -13.824 4.219 3.833 1.00 0.00 H new ATOM 0 HD3 PRO A -6 -12.213 3.607 4.153 1.00 0.00 H new ATOM 24 N LEU A -5 -14.166 7.733 7.361 1.00 0.00 N ATOM 25 CA LEU A -5 -15.346 8.251 8.032 1.00 0.00 C ATOM 26 C LEU A -5 -15.796 9.541 7.363 1.00 0.00 C ATOM 27 O LEU A -5 -15.050 10.519 7.318 1.00 0.00 O ATOM 28 CB LEU A -5 -15.061 8.486 9.519 1.00 0.00 C ATOM 29 CG LEU A -5 -16.264 8.945 10.348 1.00 0.00 C ATOM 30 CD1 LEU A -5 -17.373 7.900 10.315 1.00 0.00 C ATOM 31 CD2 LEU A -5 -15.840 9.232 11.782 1.00 0.00 C ATOM 0 H LEU A -5 -13.281 8.060 7.748 1.00 0.00 H new ATOM 0 HA LEU A -5 -16.147 7.516 7.953 1.00 0.00 H new ATOM 0 HB2 LEU A -5 -14.675 7.562 9.949 1.00 0.00 H new ATOM 0 HB3 LEU A -5 -14.272 9.233 9.608 1.00 0.00 H new ATOM 0 HG LEU A -5 -16.652 9.865 9.911 1.00 0.00 H new ATOM 0 HD11 LEU A -5 -18.218 8.247 10.910 1.00 0.00 H new ATOM 0 HD12 LEU A -5 -17.695 7.743 9.285 1.00 0.00 H new ATOM 0 HD13 LEU A -5 -17.001 6.961 10.726 1.00 0.00 H new ATOM 0 HD21 LEU A -5 -16.706 9.557 12.359 1.00 0.00 H new ATOM 0 HD22 LEU A -5 -15.426 8.327 12.227 1.00 0.00 H new ATOM 0 HD23 LEU A -5 -15.084 10.017 11.788 1.00 0.00 H new ATOM 43 N GLY A -4 -17.003 9.532 6.820 1.00 0.00 N ATOM 44 CA GLY A -4 -17.519 10.700 6.143 1.00 0.00 C ATOM 45 C GLY A -4 -17.020 10.805 4.718 1.00 0.00 C ATOM 46 O GLY A -4 -17.763 10.540 3.768 1.00 0.00 O ATOM 0 H GLY A -4 -17.636 8.733 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -18.608 10.665 6.143 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -17.229 11.595 6.694 1.00 0.00 H new ATOM 50 N SER A -3 -15.753 11.164 4.567 1.00 0.00 N ATOM 51 CA SER A -3 -15.161 11.353 3.250 1.00 0.00 C ATOM 52 C SER A -3 -13.625 11.314 3.292 1.00 0.00 C ATOM 53 O SER A -3 -13.024 10.693 2.420 1.00 0.00 O ATOM 54 CB SER A -3 -15.645 12.670 2.628 1.00 0.00 C ATOM 55 OG SER A -3 -15.300 12.758 1.251 1.00 0.00 O ATOM 0 H SER A -3 -15.113 11.331 5.343 1.00 0.00 H new ATOM 0 HA SER A -3 -15.489 10.521 2.627 1.00 0.00 H new ATOM 0 HB2 SER A -3 -16.727 12.749 2.738 1.00 0.00 H new ATOM 0 HB3 SER A -3 -15.207 13.510 3.167 1.00 0.00 H new ATOM 0 HG SER A -3 -15.624 13.608 0.886 1.00 0.00 H new ATOM 61 N PRO A -2 -12.964 11.993 4.274 1.00 0.00 N ATOM 62 CA PRO A -2 -11.498 11.992 4.402 1.00 0.00 C ATOM 63 C PRO A -2 -10.880 10.603 4.235 1.00 0.00 C ATOM 64 O PRO A -2 -10.990 9.744 5.114 1.00 0.00 O ATOM 65 CB PRO A -2 -11.245 12.518 5.828 1.00 0.00 C ATOM 66 CG PRO A -2 -12.595 12.700 6.449 1.00 0.00 C ATOM 67 CD PRO A -2 -13.563 12.841 5.313 1.00 0.00 C ATOM 0 HA PRO A -2 -11.040 12.598 3.621 1.00 0.00 H new ATOM 0 HB2 PRO A -2 -10.644 11.813 6.402 1.00 0.00 H new ATOM 0 HB3 PRO A -2 -10.697 13.460 5.804 1.00 0.00 H new ATOM 0 HG2 PRO A -2 -12.853 11.847 7.076 1.00 0.00 H new ATOM 0 HG3 PRO A -2 -12.614 13.583 7.088 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -14.562 12.502 5.587 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -13.657 13.877 4.987 1.00 0.00 H new ATOM 75 N GLU A -1 -10.224 10.405 3.102 1.00 0.00 N ATOM 76 CA GLU A -1 -9.600 9.137 2.768 1.00 0.00 C ATOM 77 C GLU A -1 -8.113 9.366 2.522 1.00 0.00 C ATOM 78 O GLU A -1 -7.621 9.278 1.393 1.00 0.00 O ATOM 79 CB GLU A -1 -10.283 8.524 1.536 1.00 0.00 C ATOM 80 CG GLU A -1 -9.771 7.146 1.150 1.00 0.00 C ATOM 81 CD GLU A -1 -10.508 6.576 -0.045 1.00 0.00 C ATOM 82 OE1 GLU A -1 -10.265 7.042 -1.185 1.00 0.00 O ATOM 83 OE2 GLU A -1 -11.349 5.678 0.148 1.00 0.00 O ATOM 0 H GLU A -1 -10.110 11.123 2.387 1.00 0.00 H new ATOM 0 HA GLU A -1 -9.714 8.434 3.593 1.00 0.00 H new ATOM 0 HB2 GLU A -1 -11.355 8.459 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A -1 -10.149 9.197 0.690 1.00 0.00 H new ATOM 0 HG2 GLU A -1 -8.706 7.206 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A -1 -9.879 6.469 1.998 1.00 0.00 H new ATOM 90 N PHE A 0 -7.412 9.703 3.595 1.00 0.00 N ATOM 91 CA PHE A 0 -5.985 9.963 3.530 1.00 0.00 C ATOM 92 C PHE A 0 -5.247 9.096 4.540 1.00 0.00 C ATOM 93 O PHE A 0 -5.622 9.027 5.711 1.00 0.00 O ATOM 94 CB PHE A 0 -5.692 11.445 3.784 1.00 0.00 C ATOM 95 CG PHE A 0 -4.238 11.809 3.653 1.00 0.00 C ATOM 96 CD1 PHE A 0 -3.631 11.846 2.408 1.00 0.00 C ATOM 97 CD2 PHE A 0 -3.484 12.120 4.773 1.00 0.00 C ATOM 98 CE1 PHE A 0 -2.298 12.184 2.282 1.00 0.00 C ATOM 99 CE2 PHE A 0 -2.152 12.459 4.653 1.00 0.00 C ATOM 100 CZ PHE A 0 -1.557 12.492 3.407 1.00 0.00 C ATOM 0 H PHE A 0 -7.814 9.803 4.527 1.00 0.00 H new ATOM 0 HA PHE A 0 -5.634 9.713 2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -6.272 12.045 3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -6.033 11.707 4.786 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -4.207 11.608 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -3.944 12.097 5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -1.836 12.208 1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -1.574 12.699 5.534 1.00 0.00 H new ATOM 0 HZ PHE A 0 -0.515 12.758 3.312 1.00 0.00 H new ATOM 110 N MET A 1 -4.218 8.416 4.073 1.00 0.00 N ATOM 111 CA MET A 1 -3.418 7.545 4.920 1.00 0.00 C ATOM 112 C MET A 1 -1.945 7.677 4.557 1.00 0.00 C ATOM 113 O MET A 1 -1.612 7.770 3.380 1.00 0.00 O ATOM 114 CB MET A 1 -3.879 6.098 4.749 1.00 0.00 C ATOM 115 CG MET A 1 -3.061 5.090 5.530 1.00 0.00 C ATOM 116 SD MET A 1 -3.147 5.339 7.309 1.00 0.00 S ATOM 117 CE MET A 1 -1.907 4.168 7.851 1.00 0.00 C ATOM 0 H MET A 1 -3.912 8.449 3.101 1.00 0.00 H new ATOM 0 HA MET A 1 -3.547 7.837 5.962 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.921 6.021 5.059 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.841 5.839 3.691 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.410 4.085 5.292 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.021 5.150 5.211 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.794 4.232 8.933 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.215 3.159 7.578 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.955 4.398 7.373 1.00 0.00 H new ATOM 127 N GLU A 2 -1.071 7.692 5.555 1.00 0.00 N ATOM 128 CA GLU A 2 0.361 7.815 5.314 1.00 0.00 C ATOM 129 C GLU A 2 1.167 6.919 6.251 1.00 0.00 C ATOM 130 O GLU A 2 0.651 6.405 7.241 1.00 0.00 O ATOM 131 CB GLU A 2 0.820 9.281 5.417 1.00 0.00 C ATOM 132 CG GLU A 2 0.058 10.129 6.429 1.00 0.00 C ATOM 133 CD GLU A 2 0.213 9.654 7.857 1.00 0.00 C ATOM 134 OE1 GLU A 2 1.254 9.963 8.477 1.00 0.00 O ATOM 135 OE2 GLU A 2 -0.713 8.987 8.365 1.00 0.00 O ATOM 0 H GLU A 2 -1.329 7.621 6.539 1.00 0.00 H new ATOM 0 HA GLU A 2 0.549 7.477 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.878 9.296 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.727 9.744 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.403 11.161 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.000 10.128 6.168 1.00 0.00 H new ATOM 142 N GLY A 3 2.425 6.704 5.896 1.00 0.00 N ATOM 143 CA GLY A 3 3.297 5.857 6.679 1.00 0.00 C ATOM 144 C GLY A 3 4.221 5.067 5.780 1.00 0.00 C ATOM 145 O GLY A 3 4.241 5.293 4.572 1.00 0.00 O ATOM 0 H GLY A 3 2.861 7.108 5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.883 6.467 7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.701 5.175 7.286 1.00 0.00 H new ATOM 149 N VAL A 4 4.987 4.146 6.343 1.00 0.00 N ATOM 150 CA VAL A 4 5.884 3.339 5.531 1.00 0.00 C ATOM 151 C VAL A 4 5.425 1.884 5.510 1.00 0.00 C ATOM 152 O VAL A 4 4.703 1.433 6.403 1.00 0.00 O ATOM 153 CB VAL A 4 7.361 3.404 6.008 1.00 0.00 C ATOM 154 CG1 VAL A 4 7.693 4.764 6.605 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.690 2.278 6.978 1.00 0.00 C ATOM 0 H VAL A 4 5.007 3.940 7.342 1.00 0.00 H new ATOM 0 HA VAL A 4 5.845 3.760 4.526 1.00 0.00 H new ATOM 0 HB VAL A 4 7.990 3.268 5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.734 4.775 6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.538 5.539 5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.045 4.954 7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.732 2.358 7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.044 2.351 7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.530 1.317 6.488 1.00 0.00 H new ATOM 165 N LEU A 5 5.848 1.168 4.486 1.00 0.00 N ATOM 166 CA LEU A 5 5.543 -0.248 4.344 1.00 0.00 C ATOM 167 C LEU A 5 6.815 -1.000 4.000 1.00 0.00 C ATOM 168 O LEU A 5 7.728 -0.440 3.387 1.00 0.00 O ATOM 169 CB LEU A 5 4.507 -0.513 3.236 1.00 0.00 C ATOM 170 CG LEU A 5 3.036 -0.208 3.557 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.596 -0.859 4.866 1.00 0.00 C ATOM 172 CD2 LEU A 5 2.787 1.287 3.571 1.00 0.00 C ATOM 0 H LEU A 5 6.413 1.549 3.727 1.00 0.00 H new ATOM 0 HA LEU A 5 5.124 -0.589 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.790 0.074 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.579 -1.563 2.951 1.00 0.00 H new ATOM 0 HG LEU A 5 2.427 -0.644 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.550 -0.620 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.713 -1.940 4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.210 -0.483 5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.739 1.479 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.416 1.754 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.027 1.705 2.593 1.00 0.00 H new ATOM 184 N TYR A 6 6.879 -2.251 4.421 1.00 0.00 N ATOM 185 CA TYR A 6 7.951 -3.142 4.010 1.00 0.00 C ATOM 186 C TYR A 6 7.774 -3.521 2.549 1.00 0.00 C ATOM 187 O TYR A 6 6.750 -4.081 2.158 1.00 0.00 O ATOM 188 CB TYR A 6 7.977 -4.386 4.911 1.00 0.00 C ATOM 189 CG TYR A 6 8.367 -5.690 4.224 1.00 0.00 C ATOM 190 CD1 TYR A 6 9.697 -6.051 4.062 1.00 0.00 C ATOM 191 CD2 TYR A 6 7.393 -6.567 3.753 1.00 0.00 C ATOM 192 CE1 TYR A 6 10.045 -7.243 3.450 1.00 0.00 C ATOM 193 CE2 TYR A 6 7.735 -7.756 3.138 1.00 0.00 C ATOM 194 CZ TYR A 6 9.062 -8.089 2.991 1.00 0.00 C ATOM 195 OH TYR A 6 9.408 -9.279 2.389 1.00 0.00 O ATOM 0 H TYR A 6 6.198 -2.675 5.051 1.00 0.00 H new ATOM 0 HA TYR A 6 8.908 -2.632 4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.674 -4.205 5.729 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.989 -4.512 5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.474 -5.391 4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.350 -6.313 3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.085 -7.508 3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.965 -8.420 2.775 1.00 0.00 H new ATOM 0 HH TYR A 6 10.289 -9.189 1.968 1.00 0.00 H new ATOM 205 N LYS A 7 8.760 -3.185 1.746 1.00 0.00 N ATOM 206 CA LYS A 7 8.732 -3.515 0.335 1.00 0.00 C ATOM 207 C LYS A 7 9.974 -4.323 -0.017 1.00 0.00 C ATOM 208 O LYS A 7 11.099 -3.892 0.234 1.00 0.00 O ATOM 209 CB LYS A 7 8.632 -2.231 -0.508 1.00 0.00 C ATOM 210 CG LYS A 7 8.252 -2.459 -1.969 1.00 0.00 C ATOM 211 CD LYS A 7 9.452 -2.840 -2.820 1.00 0.00 C ATOM 212 CE LYS A 7 9.039 -3.230 -4.229 1.00 0.00 C ATOM 213 NZ LYS A 7 8.306 -2.141 -4.933 1.00 0.00 N ATOM 0 H LYS A 7 9.595 -2.682 2.046 1.00 0.00 H new ATOM 0 HA LYS A 7 7.854 -4.121 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.894 -1.570 -0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.590 -1.713 -0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.501 -3.247 -2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.797 -1.553 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.148 -2.003 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.981 -3.671 -2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.926 -3.496 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.409 -4.118 -4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.151 -2.412 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.388 -1.985 -4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.866 -1.265 -4.896 1.00 0.00 H new ATOM 227 N TRP A 8 9.759 -5.506 -0.567 1.00 0.00 N ATOM 228 CA TRP A 8 10.853 -6.387 -0.936 1.00 0.00 C ATOM 229 C TRP A 8 11.371 -6.044 -2.328 1.00 0.00 C ATOM 230 O TRP A 8 10.592 -5.933 -3.278 1.00 0.00 O ATOM 231 CB TRP A 8 10.389 -7.846 -0.893 1.00 0.00 C ATOM 232 CG TRP A 8 11.464 -8.822 -1.272 1.00 0.00 C ATOM 233 CD1 TRP A 8 11.709 -9.333 -2.516 1.00 0.00 C ATOM 234 CD2 TRP A 8 12.442 -9.403 -0.402 1.00 0.00 C ATOM 235 NE1 TRP A 8 12.783 -10.187 -2.472 1.00 0.00 N ATOM 236 CE2 TRP A 8 13.246 -10.252 -1.185 1.00 0.00 C ATOM 237 CE3 TRP A 8 12.714 -9.288 0.962 1.00 0.00 C ATOM 238 CZ2 TRP A 8 14.303 -10.978 -0.650 1.00 0.00 C ATOM 239 CZ3 TRP A 8 13.763 -10.012 1.494 1.00 0.00 C ATOM 240 CH2 TRP A 8 14.547 -10.848 0.689 1.00 0.00 C ATOM 0 H TRP A 8 8.832 -5.880 -0.769 1.00 0.00 H new ATOM 0 HA TRP A 8 11.664 -6.250 -0.221 1.00 0.00 H new ATOM 0 HB2 TRP A 8 10.035 -8.078 0.111 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.541 -7.970 -1.566 1.00 0.00 H new ATOM 0 HD1 TRP A 8 11.141 -9.099 -3.404 1.00 0.00 H new ATOM 0 HE1 TRP A 8 13.173 -10.691 -3.268 1.00 0.00 H new ATOM 0 HE3 TRP A 8 12.115 -8.645 1.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 14.910 -11.622 -1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 13.982 -9.932 2.548 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.361 -11.401 1.135 1.00 0.00 H new ATOM 251 N THR A 9 12.681 -5.865 -2.440 1.00 0.00 N ATOM 252 CA THR A 9 13.300 -5.582 -3.724 1.00 0.00 C ATOM 253 C THR A 9 14.131 -6.776 -4.199 1.00 0.00 C ATOM 254 O THR A 9 13.665 -7.597 -4.992 1.00 0.00 O ATOM 255 CB THR A 9 14.179 -4.313 -3.655 1.00 0.00 C ATOM 256 OG1 THR A 9 15.172 -4.445 -2.628 1.00 0.00 O ATOM 257 CG2 THR A 9 13.322 -3.090 -3.373 1.00 0.00 C ATOM 0 H THR A 9 13.333 -5.911 -1.657 1.00 0.00 H new ATOM 0 HA THR A 9 12.501 -5.403 -4.444 1.00 0.00 H new ATOM 0 HB THR A 9 14.674 -4.191 -4.618 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.732 -4.568 -1.761 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.956 -2.204 -3.327 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.587 -2.970 -4.169 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.808 -3.218 -2.420 1.00 0.00 H new ATOM 265 N ASN A 10 15.352 -6.883 -3.687 1.00 0.00 N ATOM 266 CA ASN A 10 16.242 -7.982 -4.027 1.00 0.00 C ATOM 267 C ASN A 10 16.736 -8.641 -2.752 1.00 0.00 C ATOM 268 O ASN A 10 16.757 -8.022 -1.692 1.00 0.00 O ATOM 269 CB ASN A 10 17.457 -7.502 -4.845 1.00 0.00 C ATOM 270 CG ASN A 10 17.116 -7.062 -6.260 1.00 0.00 C ATOM 271 OD1 ASN A 10 16.045 -6.523 -6.525 1.00 0.00 O ATOM 272 ND2 ASN A 10 18.034 -7.295 -7.189 1.00 0.00 N ATOM 0 H ASN A 10 15.749 -6.213 -3.028 1.00 0.00 H new ATOM 0 HA ASN A 10 15.680 -8.691 -4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 10 17.929 -6.671 -4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.191 -8.307 -4.893 1.00 0.00 H new ATOM 0 HD21 ASN A 10 17.860 -7.024 -8.157 1.00 0.00 H new ATOM 0 HD22 ASN A 10 18.914 -7.745 -6.935 1.00 0.00 H new ATOM 279 N TYR A 11 17.144 -9.896 -2.864 1.00 0.00 N ATOM 280 CA TYR A 11 17.658 -10.646 -1.722 1.00 0.00 C ATOM 281 C TYR A 11 19.006 -10.095 -1.249 1.00 0.00 C ATOM 282 O TYR A 11 19.406 -10.313 -0.106 1.00 0.00 O ATOM 283 CB TYR A 11 17.773 -12.135 -2.074 1.00 0.00 C ATOM 284 CG TYR A 11 18.278 -12.398 -3.479 1.00 0.00 C ATOM 285 CD1 TYR A 11 19.637 -12.502 -3.752 1.00 0.00 C ATOM 286 CD2 TYR A 11 17.385 -12.536 -4.535 1.00 0.00 C ATOM 287 CE1 TYR A 11 20.088 -12.733 -5.038 1.00 0.00 C ATOM 288 CE2 TYR A 11 17.828 -12.769 -5.817 1.00 0.00 C ATOM 289 CZ TYR A 11 19.178 -12.867 -6.065 1.00 0.00 C ATOM 290 OH TYR A 11 19.618 -13.088 -7.349 1.00 0.00 O ATOM 0 H TYR A 11 17.130 -10.421 -3.738 1.00 0.00 H new ATOM 0 HA TYR A 11 16.952 -10.533 -0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 11 18.444 -12.616 -1.362 1.00 0.00 H new ATOM 0 HB3 TYR A 11 16.795 -12.602 -1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.351 -12.401 -2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.324 -12.459 -4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 11 21.147 -12.808 -5.237 1.00 0.00 H new ATOM 0 HE2 TYR A 11 17.119 -12.874 -6.625 1.00 0.00 H new ATOM 0 HH TYR A 11 18.848 -13.160 -7.951 1.00 0.00 H new ATOM 300 N LEU A 12 19.707 -9.392 -2.135 1.00 0.00 N ATOM 301 CA LEU A 12 20.976 -8.767 -1.776 1.00 0.00 C ATOM 302 C LEU A 12 20.751 -7.547 -0.891 1.00 0.00 C ATOM 303 O LEU A 12 21.482 -7.320 0.075 1.00 0.00 O ATOM 304 CB LEU A 12 21.752 -8.359 -3.027 1.00 0.00 C ATOM 305 CG LEU A 12 22.162 -9.511 -3.945 1.00 0.00 C ATOM 306 CD1 LEU A 12 22.918 -8.979 -5.150 1.00 0.00 C ATOM 307 CD2 LEU A 12 23.014 -10.522 -3.193 1.00 0.00 C ATOM 0 H LEU A 12 19.419 -9.242 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 12 21.560 -9.501 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.144 -7.658 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.650 -7.824 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 12 21.258 -10.013 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.204 -9.809 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.280 -8.291 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.813 -8.454 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.294 -11.333 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.914 -10.033 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.445 -10.925 -2.355 1.00 0.00 H new ATOM 319 N THR A 13 19.735 -6.768 -1.228 1.00 0.00 N ATOM 320 CA THR A 13 19.400 -5.572 -0.475 1.00 0.00 C ATOM 321 C THR A 13 18.562 -5.908 0.754 1.00 0.00 C ATOM 322 O THR A 13 18.758 -5.339 1.829 1.00 0.00 O ATOM 323 CB THR A 13 18.648 -4.570 -1.371 1.00 0.00 C ATOM 324 OG1 THR A 13 17.724 -5.276 -2.210 1.00 0.00 O ATOM 325 CG2 THR A 13 19.626 -3.788 -2.230 1.00 0.00 C ATOM 0 H THR A 13 19.124 -6.946 -2.025 1.00 0.00 H new ATOM 0 HA THR A 13 20.331 -5.118 -0.136 1.00 0.00 H new ATOM 0 HB THR A 13 18.104 -3.870 -0.737 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.903 -4.750 -2.308 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.078 -3.085 -2.857 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.317 -3.240 -1.589 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.187 -4.477 -2.862 1.00 0.00 H new ATOM 333 N GLY A 14 17.626 -6.833 0.593 1.00 0.00 N ATOM 334 CA GLY A 14 16.819 -7.272 1.711 1.00 0.00 C ATOM 335 C GLY A 14 15.456 -6.618 1.709 1.00 0.00 C ATOM 336 O GLY A 14 14.742 -6.670 0.706 1.00 0.00 O ATOM 0 H GLY A 14 17.412 -7.288 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 14 16.703 -8.355 1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.333 -7.039 2.644 1.00 0.00 H new ATOM 340 N TRP A 15 15.098 -5.987 2.816 1.00 0.00 N ATOM 341 CA TRP A 15 13.816 -5.311 2.915 1.00 0.00 C ATOM 342 C TRP A 15 14.039 -3.799 2.950 1.00 0.00 C ATOM 343 O TRP A 15 14.970 -3.320 3.606 1.00 0.00 O ATOM 344 CB TRP A 15 13.046 -5.798 4.160 1.00 0.00 C ATOM 345 CG TRP A 15 13.287 -4.998 5.405 1.00 0.00 C ATOM 346 CD1 TRP A 15 14.295 -5.151 6.316 1.00 0.00 C ATOM 347 CD2 TRP A 15 12.487 -3.909 5.869 1.00 0.00 C ATOM 348 NE1 TRP A 15 14.165 -4.217 7.317 1.00 0.00 N ATOM 349 CE2 TRP A 15 13.065 -3.442 7.061 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.338 -3.283 5.383 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.529 -2.373 7.774 1.00 0.00 C ATOM 352 CZ3 TRP A 15 10.807 -2.226 6.088 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.404 -1.778 7.272 1.00 0.00 C ATOM 0 H TRP A 15 15.675 -5.929 3.655 1.00 0.00 H new ATOM 0 HA TRP A 15 13.209 -5.550 2.042 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.979 -5.784 3.938 1.00 0.00 H new ATOM 0 HB3 TRP A 15 13.318 -6.836 4.354 1.00 0.00 H new ATOM 0 HD1 TRP A 15 15.076 -5.894 6.258 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.787 -4.118 8.120 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.873 -3.622 4.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 12.985 -2.026 8.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 9.917 -1.736 5.722 1.00 0.00 H new ATOM 0 HH2 TRP A 15 10.967 -0.944 7.801 1.00 0.00 H new ATOM 364 N GLN A 16 13.230 -3.056 2.203 1.00 0.00 N ATOM 365 CA GLN A 16 13.363 -1.607 2.160 1.00 0.00 C ATOM 366 C GLN A 16 12.066 -0.937 2.606 1.00 0.00 C ATOM 367 O GLN A 16 11.011 -1.166 2.013 1.00 0.00 O ATOM 368 CB GLN A 16 13.707 -1.132 0.734 1.00 0.00 C ATOM 369 CG GLN A 16 15.055 -1.610 0.200 1.00 0.00 C ATOM 370 CD GLN A 16 15.128 -3.108 0.007 1.00 0.00 C ATOM 371 OE1 GLN A 16 14.137 -3.759 -0.324 1.00 0.00 O ATOM 372 NE2 GLN A 16 16.297 -3.673 0.228 1.00 0.00 N ATOM 0 H GLN A 16 12.480 -3.431 1.623 1.00 0.00 H new ATOM 0 HA GLN A 16 14.170 -1.328 2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.924 -1.471 0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.693 -0.042 0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.255 -1.118 -0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.841 -1.301 0.890 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.096 -3.101 0.501 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.403 -4.682 0.126 1.00 0.00 H new ATOM 381 N PRO A 17 12.116 -0.116 3.667 1.00 0.00 N ATOM 382 CA PRO A 17 10.987 0.728 4.055 1.00 0.00 C ATOM 383 C PRO A 17 10.811 1.913 3.114 1.00 0.00 C ATOM 384 O PRO A 17 11.748 2.677 2.874 1.00 0.00 O ATOM 385 CB PRO A 17 11.369 1.220 5.449 1.00 0.00 C ATOM 386 CG PRO A 17 12.859 1.182 5.462 1.00 0.00 C ATOM 387 CD PRO A 17 13.241 0.001 4.615 1.00 0.00 C ATOM 0 HA PRO A 17 10.043 0.184 4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.996 2.228 5.630 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.949 0.580 6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.278 2.104 5.060 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.239 1.075 6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.187 0.166 4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.358 -0.902 5.214 1.00 0.00 H new ATOM 395 N ARG A 18 9.615 2.060 2.579 1.00 0.00 N ATOM 396 CA ARG A 18 9.301 3.185 1.715 1.00 0.00 C ATOM 397 C ARG A 18 8.023 3.853 2.181 1.00 0.00 C ATOM 398 O ARG A 18 7.191 3.219 2.828 1.00 0.00 O ATOM 399 CB ARG A 18 9.174 2.742 0.254 1.00 0.00 C ATOM 400 CG ARG A 18 10.515 2.501 -0.422 1.00 0.00 C ATOM 401 CD ARG A 18 11.359 3.766 -0.425 1.00 0.00 C ATOM 402 NE ARG A 18 12.663 3.569 -1.057 1.00 0.00 N ATOM 403 CZ ARG A 18 13.426 4.563 -1.513 1.00 0.00 C ATOM 404 NH1 ARG A 18 13.031 5.824 -1.386 1.00 0.00 N ATOM 405 NH2 ARG A 18 14.586 4.294 -2.089 1.00 0.00 N ATOM 0 H ARG A 18 8.841 1.413 2.727 1.00 0.00 H new ATOM 0 HA ARG A 18 10.119 3.903 1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.583 1.827 0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.626 3.503 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.049 1.704 0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.355 2.164 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.821 4.556 -0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.504 4.105 0.601 1.00 0.00 H new ATOM 0 HE ARG A 18 13.009 2.615 -1.155 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.140 6.037 -0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.619 6.580 -1.737 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.896 3.327 -2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.170 5.054 -2.438 1.00 0.00 H new ATOM 419 N TRP A 19 7.867 5.126 1.846 1.00 0.00 N ATOM 420 CA TRP A 19 6.744 5.906 2.333 1.00 0.00 C ATOM 421 C TRP A 19 5.607 5.875 1.324 1.00 0.00 C ATOM 422 O TRP A 19 5.770 6.275 0.170 1.00 0.00 O ATOM 423 CB TRP A 19 7.179 7.353 2.601 1.00 0.00 C ATOM 424 CG TRP A 19 6.160 8.163 3.351 1.00 0.00 C ATOM 425 CD1 TRP A 19 5.083 8.813 2.825 1.00 0.00 C ATOM 426 CD2 TRP A 19 6.127 8.413 4.763 1.00 0.00 C ATOM 427 NE1 TRP A 19 4.378 9.444 3.821 1.00 0.00 N ATOM 428 CE2 TRP A 19 4.999 9.216 5.019 1.00 0.00 C ATOM 429 CE3 TRP A 19 6.940 8.037 5.837 1.00 0.00 C ATOM 430 CZ2 TRP A 19 4.662 9.643 6.302 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.607 8.462 7.110 1.00 0.00 C ATOM 432 CH2 TRP A 19 5.477 9.259 7.332 1.00 0.00 C ATOM 0 H TRP A 19 8.506 5.639 1.238 1.00 0.00 H new ATOM 0 HA TRP A 19 6.393 5.469 3.268 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.110 7.344 3.167 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.389 7.842 1.650 1.00 0.00 H new ATOM 0 HD1 TRP A 19 4.822 8.829 1.777 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.529 9.994 3.689 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.814 7.424 5.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.789 10.255 6.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.228 8.175 7.946 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.244 9.577 8.337 1.00 0.00 H new ATOM 443 N PHE A 20 4.465 5.386 1.769 1.00 0.00 N ATOM 444 CA PHE A 20 3.290 5.280 0.925 1.00 0.00 C ATOM 445 C PHE A 20 2.190 6.179 1.469 1.00 0.00 C ATOM 446 O PHE A 20 2.110 6.411 2.675 1.00 0.00 O ATOM 447 CB PHE A 20 2.784 3.833 0.870 1.00 0.00 C ATOM 448 CG PHE A 20 3.718 2.859 0.205 1.00 0.00 C ATOM 449 CD1 PHE A 20 4.834 2.377 0.867 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.469 2.419 -1.083 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.685 1.475 0.259 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.314 1.515 -1.697 1.00 0.00 C ATOM 453 CZ PHE A 20 5.426 1.044 -1.025 1.00 0.00 C ATOM 0 H PHE A 20 4.326 5.052 2.723 1.00 0.00 H new ATOM 0 HA PHE A 20 3.561 5.592 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.591 3.492 1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.830 3.817 0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.042 2.711 1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.604 2.787 -1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.552 1.108 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.106 1.177 -2.701 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.090 0.340 -1.504 1.00 0.00 H new ATOM 463 N VAL A 21 1.361 6.695 0.580 1.00 0.00 N ATOM 464 CA VAL A 21 0.207 7.484 0.978 1.00 0.00 C ATOM 465 C VAL A 21 -1.022 7.069 0.180 1.00 0.00 C ATOM 466 O VAL A 21 -0.949 6.852 -1.030 1.00 0.00 O ATOM 467 CB VAL A 21 0.429 9.009 0.808 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.578 9.498 1.677 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.658 9.372 -0.650 1.00 0.00 C ATOM 0 H VAL A 21 1.466 6.581 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 21 0.055 7.287 2.039 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.479 9.513 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.710 10.571 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.355 9.294 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.494 8.980 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.811 10.448 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.540 8.849 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.212 9.080 -1.239 1.00 0.00 H new ATOM 479 N LEU A 22 -2.139 6.931 0.864 1.00 0.00 N ATOM 480 CA LEU A 22 -3.403 6.696 0.197 1.00 0.00 C ATOM 481 C LEU A 22 -4.161 8.004 0.197 1.00 0.00 C ATOM 482 O LEU A 22 -4.424 8.568 1.259 1.00 0.00 O ATOM 483 CB LEU A 22 -4.212 5.600 0.921 1.00 0.00 C ATOM 484 CG LEU A 22 -5.435 5.029 0.166 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.566 6.042 0.075 1.00 0.00 C ATOM 486 CD2 LEU A 22 -5.036 4.560 -1.227 1.00 0.00 C ATOM 0 H LEU A 22 -2.197 6.977 1.881 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.235 6.348 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.538 4.775 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.557 6.004 1.873 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.798 4.175 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.406 5.602 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.884 6.323 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.219 6.928 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.911 4.162 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.634 5.401 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.277 3.781 -1.145 1.00 0.00 H new ATOM 498 N ASP A 23 -4.481 8.496 -0.981 1.00 0.00 N ATOM 499 CA ASP A 23 -5.204 9.752 -1.099 1.00 0.00 C ATOM 500 C ASP A 23 -6.263 9.655 -2.184 1.00 0.00 C ATOM 501 O ASP A 23 -5.948 9.629 -3.374 1.00 0.00 O ATOM 502 CB ASP A 23 -4.227 10.896 -1.397 1.00 0.00 C ATOM 503 CG ASP A 23 -4.915 12.239 -1.529 1.00 0.00 C ATOM 504 OD1 ASP A 23 -5.484 12.726 -0.530 1.00 0.00 O ATOM 505 OD2 ASP A 23 -4.862 12.836 -2.627 1.00 0.00 O ATOM 0 H ASP A 23 -4.254 8.050 -1.870 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.704 9.960 -0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.485 10.950 -0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.689 10.677 -2.319 1.00 0.00 H new ATOM 510 N ASN A 24 -7.515 9.568 -1.745 1.00 0.00 N ATOM 511 CA ASN A 24 -8.680 9.591 -2.629 1.00 0.00 C ATOM 512 C ASN A 24 -8.547 8.619 -3.798 1.00 0.00 C ATOM 513 O ASN A 24 -8.473 9.028 -4.959 1.00 0.00 O ATOM 514 CB ASN A 24 -8.935 11.014 -3.135 1.00 0.00 C ATOM 515 CG ASN A 24 -9.510 11.921 -2.063 1.00 0.00 C ATOM 516 OD1 ASN A 24 -10.255 11.480 -1.183 1.00 0.00 O ATOM 517 ND2 ASN A 24 -9.168 13.197 -2.127 1.00 0.00 N ATOM 0 H ASN A 24 -7.754 9.479 -0.757 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.537 9.261 -2.041 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.000 11.438 -3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.621 10.977 -3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.522 13.855 -1.433 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.550 13.523 -2.870 1.00 0.00 H new ATOM 524 N GLY A 25 -8.507 7.333 -3.483 1.00 0.00 N ATOM 525 CA GLY A 25 -8.501 6.312 -4.513 1.00 0.00 C ATOM 526 C GLY A 25 -7.132 6.042 -5.105 1.00 0.00 C ATOM 527 O GLY A 25 -6.964 5.082 -5.855 1.00 0.00 O ATOM 0 H GLY A 25 -8.478 6.976 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.894 5.385 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.178 6.613 -5.312 1.00 0.00 H new ATOM 531 N ILE A 26 -6.151 6.876 -4.800 1.00 0.00 N ATOM 532 CA ILE A 26 -4.816 6.672 -5.345 1.00 0.00 C ATOM 533 C ILE A 26 -3.815 6.350 -4.241 1.00 0.00 C ATOM 534 O ILE A 26 -3.750 7.038 -3.224 1.00 0.00 O ATOM 535 CB ILE A 26 -4.320 7.896 -6.152 1.00 0.00 C ATOM 536 CG1 ILE A 26 -5.314 8.248 -7.267 1.00 0.00 C ATOM 537 CG2 ILE A 26 -2.938 7.628 -6.741 1.00 0.00 C ATOM 538 CD1 ILE A 26 -5.633 7.091 -8.194 1.00 0.00 C ATOM 0 H ILE A 26 -6.249 7.687 -4.189 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.887 5.823 -6.025 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.248 8.744 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.240 8.605 -6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.908 9.071 -7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.607 8.500 -7.305 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.232 7.427 -5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.986 6.765 -7.404 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.342 7.419 -8.954 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.717 6.747 -8.675 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.070 6.274 -7.619 1.00 0.00 H new ATOM 550 N LEU A 27 -3.043 5.295 -4.457 1.00 0.00 N ATOM 551 CA LEU A 27 -2.008 4.885 -3.524 1.00 0.00 C ATOM 552 C LEU A 27 -0.648 5.237 -4.121 1.00 0.00 C ATOM 553 O LEU A 27 -0.227 4.651 -5.113 1.00 0.00 O ATOM 554 CB LEU A 27 -2.124 3.371 -3.245 1.00 0.00 C ATOM 555 CG LEU A 27 -1.319 2.830 -2.048 1.00 0.00 C ATOM 556 CD1 LEU A 27 0.169 2.751 -2.360 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.554 3.687 -0.812 1.00 0.00 C ATOM 0 H LEU A 27 -3.117 4.701 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.123 5.406 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.176 3.133 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.808 2.834 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.672 1.818 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.703 2.365 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.328 2.086 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.543 3.745 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.977 3.288 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.240 4.711 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.614 3.676 -0.558 1.00 0.00 H new ATOM 569 N SER A 28 0.032 6.197 -3.529 1.00 0.00 N ATOM 570 CA SER A 28 1.279 6.694 -4.088 1.00 0.00 C ATOM 571 C SER A 28 2.460 6.350 -3.184 1.00 0.00 C ATOM 572 O SER A 28 2.326 6.338 -1.963 1.00 0.00 O ATOM 573 CB SER A 28 1.179 8.208 -4.280 1.00 0.00 C ATOM 574 OG SER A 28 0.010 8.551 -5.009 1.00 0.00 O ATOM 0 H SER A 28 -0.255 6.650 -2.661 1.00 0.00 H new ATOM 0 HA SER A 28 1.448 6.215 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.164 8.701 -3.308 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.061 8.571 -4.808 1.00 0.00 H new ATOM 0 HG SER A 28 -0.034 9.524 -5.118 1.00 0.00 H new ATOM 580 N TYR A 29 3.607 6.056 -3.785 1.00 0.00 N ATOM 581 CA TYR A 29 4.813 5.778 -3.019 1.00 0.00 C ATOM 582 C TYR A 29 5.894 6.801 -3.329 1.00 0.00 C ATOM 583 O TYR A 29 6.071 7.210 -4.479 1.00 0.00 O ATOM 584 CB TYR A 29 5.316 4.347 -3.268 1.00 0.00 C ATOM 585 CG TYR A 29 5.538 3.976 -4.723 1.00 0.00 C ATOM 586 CD1 TYR A 29 6.749 4.237 -5.354 1.00 0.00 C ATOM 587 CD2 TYR A 29 4.542 3.342 -5.457 1.00 0.00 C ATOM 588 CE1 TYR A 29 6.958 3.884 -6.675 1.00 0.00 C ATOM 589 CE2 TYR A 29 4.745 2.981 -6.776 1.00 0.00 C ATOM 590 CZ TYR A 29 5.953 3.253 -7.381 1.00 0.00 C ATOM 591 OH TYR A 29 6.159 2.893 -8.696 1.00 0.00 O ATOM 0 H TYR A 29 3.726 6.004 -4.797 1.00 0.00 H new ATOM 0 HA TYR A 29 4.564 5.858 -1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.254 4.211 -2.729 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.598 3.648 -2.839 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.540 4.724 -4.803 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.593 3.128 -4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.902 4.101 -7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.960 2.488 -7.330 1.00 0.00 H new ATOM 0 HH TYR A 29 5.354 2.458 -9.046 1.00 0.00 H new ATOM 601 N TYR A 30 6.594 7.228 -2.291 1.00 0.00 N ATOM 602 CA TYR A 30 7.611 8.257 -2.420 1.00 0.00 C ATOM 603 C TYR A 30 8.907 7.822 -1.750 1.00 0.00 C ATOM 604 O TYR A 30 8.979 6.737 -1.159 1.00 0.00 O ATOM 605 CB TYR A 30 7.134 9.564 -1.784 1.00 0.00 C ATOM 606 CG TYR A 30 5.817 10.067 -2.316 1.00 0.00 C ATOM 607 CD1 TYR A 30 5.763 10.856 -3.453 1.00 0.00 C ATOM 608 CD2 TYR A 30 4.627 9.760 -1.671 1.00 0.00 C ATOM 609 CE1 TYR A 30 4.560 11.332 -3.930 1.00 0.00 C ATOM 610 CE2 TYR A 30 3.422 10.230 -2.144 1.00 0.00 C ATOM 611 CZ TYR A 30 3.392 11.011 -3.275 1.00 0.00 C ATOM 612 OH TYR A 30 2.187 11.478 -3.750 1.00 0.00 O ATOM 0 H TYR A 30 6.474 6.874 -1.342 1.00 0.00 H new ATOM 0 HA TYR A 30 7.792 8.414 -3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.046 9.420 -0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.893 10.330 -1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.677 11.102 -3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.646 9.143 -0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.534 11.953 -4.813 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.505 9.986 -1.629 1.00 0.00 H new ATOM 0 HH TYR A 30 2.041 11.141 -4.659 1.00 0.00 H new ATOM 622 N ASP A 31 9.928 8.660 -1.838 1.00 0.00 N ATOM 623 CA ASP A 31 11.185 8.394 -1.150 1.00 0.00 C ATOM 624 C ASP A 31 11.003 8.519 0.358 1.00 0.00 C ATOM 625 O ASP A 31 11.537 7.718 1.128 1.00 0.00 O ATOM 626 CB ASP A 31 12.270 9.367 -1.616 1.00 0.00 C ATOM 627 CG ASP A 31 13.534 9.262 -0.785 1.00 0.00 C ATOM 628 OD1 ASP A 31 14.370 8.385 -1.078 1.00 0.00 O ATOM 629 OD2 ASP A 31 13.695 10.063 0.168 1.00 0.00 O ATOM 0 H ASP A 31 9.913 9.527 -2.376 1.00 0.00 H new ATOM 0 HA ASP A 31 11.493 7.377 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.508 9.169 -2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.887 10.386 -1.564 1.00 0.00 H new ATOM 634 N SER A 32 10.206 9.498 0.766 1.00 0.00 N ATOM 635 CA SER A 32 10.001 9.789 2.177 1.00 0.00 C ATOM 636 C SER A 32 8.902 10.834 2.355 1.00 0.00 C ATOM 637 O SER A 32 8.233 11.199 1.390 1.00 0.00 O ATOM 638 CB SER A 32 11.311 10.282 2.799 1.00 0.00 C ATOM 639 OG SER A 32 11.919 11.270 1.983 1.00 0.00 O ATOM 0 H SER A 32 9.688 10.108 0.133 1.00 0.00 H new ATOM 0 HA SER A 32 9.688 8.876 2.683 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.116 10.693 3.790 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.994 9.443 2.931 1.00 0.00 H new ATOM 0 HG SER A 32 12.525 10.839 1.344 1.00 0.00 H new ATOM 645 N GLN A 33 8.730 11.311 3.585 1.00 0.00 N ATOM 646 CA GLN A 33 7.706 12.307 3.902 1.00 0.00 C ATOM 647 C GLN A 33 7.894 13.571 3.056 1.00 0.00 C ATOM 648 O GLN A 33 6.937 14.099 2.489 1.00 0.00 O ATOM 649 CB GLN A 33 7.765 12.630 5.404 1.00 0.00 C ATOM 650 CG GLN A 33 6.743 13.649 5.885 1.00 0.00 C ATOM 651 CD GLN A 33 7.320 15.046 6.022 1.00 0.00 C ATOM 652 OE1 GLN A 33 7.255 15.856 5.100 1.00 0.00 O ATOM 653 NE2 GLN A 33 7.909 15.332 7.173 1.00 0.00 N ATOM 0 H GLN A 33 9.291 11.022 4.386 1.00 0.00 H new ATOM 0 HA GLN A 33 6.722 11.902 3.664 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.625 11.706 5.964 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.763 12.999 5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.906 13.674 5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.345 13.330 6.848 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.943 14.634 7.916 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.328 16.251 7.317 1.00 0.00 H new ATOM 662 N ASP A 34 9.138 14.027 2.956 1.00 0.00 N ATOM 663 CA ASP A 34 9.475 15.201 2.147 1.00 0.00 C ATOM 664 C ASP A 34 9.075 14.991 0.695 1.00 0.00 C ATOM 665 O ASP A 34 8.557 15.892 0.031 1.00 0.00 O ATOM 666 CB ASP A 34 10.981 15.472 2.221 1.00 0.00 C ATOM 667 CG ASP A 34 11.434 16.603 1.313 1.00 0.00 C ATOM 668 OD1 ASP A 34 11.568 16.382 0.088 1.00 0.00 O ATOM 669 OD2 ASP A 34 11.689 17.712 1.828 1.00 0.00 O ATOM 0 H ASP A 34 9.936 13.601 3.427 1.00 0.00 H new ATOM 0 HA ASP A 34 8.926 16.055 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.250 15.712 3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.520 14.563 1.954 1.00 0.00 H new ATOM 674 N ASP A 35 9.296 13.779 0.225 1.00 0.00 N ATOM 675 CA ASP A 35 9.124 13.452 -1.180 1.00 0.00 C ATOM 676 C ASP A 35 7.646 13.366 -1.559 1.00 0.00 C ATOM 677 O ASP A 35 7.296 13.396 -2.736 1.00 0.00 O ATOM 678 CB ASP A 35 9.840 12.140 -1.494 1.00 0.00 C ATOM 679 CG ASP A 35 10.031 11.923 -2.979 1.00 0.00 C ATOM 680 OD1 ASP A 35 10.657 12.790 -3.631 1.00 0.00 O ATOM 681 OD2 ASP A 35 9.567 10.884 -3.493 1.00 0.00 O ATOM 0 H ASP A 35 9.599 12.995 0.802 1.00 0.00 H new ATOM 0 HA ASP A 35 9.564 14.252 -1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.812 12.134 -1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.268 11.310 -1.080 1.00 0.00 H new ATOM 686 N VAL A 36 6.780 13.294 -0.554 1.00 0.00 N ATOM 687 CA VAL A 36 5.341 13.244 -0.785 1.00 0.00 C ATOM 688 C VAL A 36 4.863 14.510 -1.490 1.00 0.00 C ATOM 689 O VAL A 36 4.021 14.460 -2.389 1.00 0.00 O ATOM 690 CB VAL A 36 4.561 13.080 0.540 1.00 0.00 C ATOM 691 CG1 VAL A 36 3.058 13.090 0.297 1.00 0.00 C ATOM 692 CG2 VAL A 36 4.976 11.803 1.248 1.00 0.00 C ATOM 0 H VAL A 36 7.050 13.269 0.429 1.00 0.00 H new ATOM 0 HA VAL A 36 5.148 12.378 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 36 4.805 13.928 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.535 12.973 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.770 14.036 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.791 12.268 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.417 11.705 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.767 10.947 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.043 11.839 1.468 1.00 0.00 H new ATOM 702 N CYS A 37 5.433 15.639 -1.098 1.00 0.00 N ATOM 703 CA CYS A 37 5.001 16.927 -1.609 1.00 0.00 C ATOM 704 C CYS A 37 5.392 17.103 -3.076 1.00 0.00 C ATOM 705 O CYS A 37 4.776 17.889 -3.796 1.00 0.00 O ATOM 706 CB CYS A 37 5.602 18.052 -0.769 1.00 0.00 C ATOM 707 SG CYS A 37 4.953 19.698 -1.151 1.00 0.00 S ATOM 0 H CYS A 37 6.198 15.687 -0.425 1.00 0.00 H new ATOM 0 HA CYS A 37 3.914 16.968 -1.543 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.421 17.839 0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.683 18.058 -0.912 1.00 0.00 H new ATOM 0 HG CYS A 37 4.580 19.739 -2.396 1.00 0.00 H new ATOM 713 N LYS A 38 6.411 16.364 -3.514 1.00 0.00 N ATOM 714 CA LYS A 38 6.910 16.476 -4.880 1.00 0.00 C ATOM 715 C LYS A 38 5.829 16.109 -5.887 1.00 0.00 C ATOM 716 O LYS A 38 5.676 16.753 -6.925 1.00 0.00 O ATOM 717 CB LYS A 38 8.110 15.552 -5.110 1.00 0.00 C ATOM 718 CG LYS A 38 9.130 15.522 -3.985 1.00 0.00 C ATOM 719 CD LYS A 38 9.725 16.881 -3.701 1.00 0.00 C ATOM 720 CE LYS A 38 11.224 16.767 -3.495 1.00 0.00 C ATOM 721 NZ LYS A 38 11.578 15.728 -2.491 1.00 0.00 N ATOM 0 H LYS A 38 6.906 15.681 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 38 7.213 17.514 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.742 14.539 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.613 15.859 -6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.656 15.141 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.929 14.827 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.515 17.558 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.261 17.311 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.702 16.529 -4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.619 17.730 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.609 15.710 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.117 15.949 -1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.256 14.798 -2.826 1.00 0.00 H new ATOM 735 N GLY A 39 5.081 15.074 -5.561 1.00 0.00 N ATOM 736 CA GLY A 39 4.103 14.542 -6.484 1.00 0.00 C ATOM 737 C GLY A 39 4.651 13.344 -7.228 1.00 0.00 C ATOM 738 O GLY A 39 5.618 13.462 -7.982 1.00 0.00 O ATOM 0 H GLY A 39 5.132 14.587 -4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.203 14.255 -5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.813 15.314 -7.196 1.00 0.00 H new ATOM 742 N SER A 40 4.048 12.192 -7.005 1.00 0.00 N ATOM 743 CA SER A 40 4.539 10.949 -7.570 1.00 0.00 C ATOM 744 C SER A 40 4.176 10.808 -9.040 1.00 0.00 C ATOM 745 O SER A 40 3.052 11.098 -9.452 1.00 0.00 O ATOM 746 CB SER A 40 3.983 9.769 -6.777 1.00 0.00 C ATOM 747 OG SER A 40 2.615 9.977 -6.457 1.00 0.00 O ATOM 0 H SER A 40 3.210 12.091 -6.432 1.00 0.00 H new ATOM 0 HA SER A 40 5.627 10.959 -7.503 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.090 8.852 -7.357 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.559 9.636 -5.861 1.00 0.00 H new ATOM 0 HG SER A 40 2.052 9.596 -7.163 1.00 0.00 H new ATOM 753 N LYS A 41 5.148 10.358 -9.824 1.00 0.00 N ATOM 754 CA LYS A 41 4.927 10.065 -11.230 1.00 0.00 C ATOM 755 C LYS A 41 4.571 8.594 -11.379 1.00 0.00 C ATOM 756 O LYS A 41 3.920 8.182 -12.338 1.00 0.00 O ATOM 757 CB LYS A 41 6.161 10.413 -12.076 1.00 0.00 C ATOM 758 CG LYS A 41 6.267 11.889 -12.407 1.00 0.00 C ATOM 759 CD LYS A 41 6.536 12.717 -11.168 1.00 0.00 C ATOM 760 CE LYS A 41 6.092 14.147 -11.365 1.00 0.00 C ATOM 761 NZ LYS A 41 6.333 14.970 -10.150 1.00 0.00 N ATOM 0 H LYS A 41 6.102 10.188 -9.505 1.00 0.00 H new ATOM 0 HA LYS A 41 4.104 10.680 -11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.059 10.103 -11.541 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.129 9.841 -13.004 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.067 12.044 -13.131 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.343 12.225 -12.877 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.012 12.284 -10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.600 12.692 -10.934 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.626 14.581 -12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.031 14.168 -11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.733 15.819 -10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.102 14.414 -9.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.333 15.254 -10.116 1.00 0.00 H new ATOM 775 N GLY A 42 5.001 7.810 -10.401 1.00 0.00 N ATOM 776 CA GLY A 42 4.649 6.410 -10.354 1.00 0.00 C ATOM 777 C GLY A 42 3.687 6.137 -9.220 1.00 0.00 C ATOM 778 O GLY A 42 4.103 5.792 -8.117 1.00 0.00 O ATOM 0 H GLY A 42 5.593 8.125 -9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.197 6.112 -11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.549 5.808 -10.227 1.00 0.00 H new ATOM 782 N SER A 43 2.403 6.331 -9.480 1.00 0.00 N ATOM 783 CA SER A 43 1.381 6.136 -8.465 1.00 0.00 C ATOM 784 C SER A 43 0.581 4.874 -8.771 1.00 0.00 C ATOM 785 O SER A 43 0.588 4.387 -9.904 1.00 0.00 O ATOM 786 CB SER A 43 0.458 7.359 -8.409 1.00 0.00 C ATOM 787 OG SER A 43 1.211 8.565 -8.369 1.00 0.00 O ATOM 0 H SER A 43 2.044 6.624 -10.389 1.00 0.00 H new ATOM 0 HA SER A 43 1.859 6.018 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.198 7.364 -9.280 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.182 7.296 -7.529 1.00 0.00 H new ATOM 0 HG SER A 43 0.601 9.331 -8.335 1.00 0.00 H new ATOM 793 N ILE A 44 -0.108 4.351 -7.769 1.00 0.00 N ATOM 794 CA ILE A 44 -0.893 3.143 -7.938 1.00 0.00 C ATOM 795 C ILE A 44 -2.378 3.462 -7.855 1.00 0.00 C ATOM 796 O ILE A 44 -2.869 3.988 -6.857 1.00 0.00 O ATOM 797 CB ILE A 44 -0.547 2.072 -6.880 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.946 1.736 -6.925 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.384 0.823 -7.111 1.00 0.00 C ATOM 800 CD1 ILE A 44 1.376 0.736 -5.871 1.00 0.00 C ATOM 0 H ILE A 44 -0.138 4.747 -6.829 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.650 2.742 -8.922 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.776 2.468 -5.891 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.191 1.340 -7.911 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.520 2.654 -6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.133 0.073 -6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.442 1.074 -7.034 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.177 0.425 -8.105 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.445 0.547 -5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.163 1.138 -4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.829 -0.197 -6.010 1.00 0.00 H new ATOM 812 N LYS A 45 -3.078 3.148 -8.924 1.00 0.00 N ATOM 813 CA LYS A 45 -4.505 3.380 -9.009 1.00 0.00 C ATOM 814 C LYS A 45 -5.271 2.231 -8.360 1.00 0.00 C ATOM 815 O LYS A 45 -5.233 1.105 -8.850 1.00 0.00 O ATOM 816 CB LYS A 45 -4.894 3.526 -10.481 1.00 0.00 C ATOM 817 CG LYS A 45 -6.370 3.316 -10.763 1.00 0.00 C ATOM 818 CD LYS A 45 -6.669 3.426 -12.246 1.00 0.00 C ATOM 819 CE LYS A 45 -6.368 4.816 -12.766 1.00 0.00 C ATOM 820 NZ LYS A 45 -6.558 4.906 -14.237 1.00 0.00 N ATOM 0 H LYS A 45 -2.674 2.724 -9.759 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.761 4.295 -8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.609 4.521 -10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.319 2.811 -11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.676 2.335 -10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.956 4.055 -10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.076 2.694 -12.794 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.717 3.187 -12.427 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.017 5.538 -12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.342 5.084 -12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.343 5.872 -14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.921 4.235 -14.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.544 4.675 -14.475 1.00 0.00 H new ATOM 834 N MET A 46 -5.969 2.524 -7.264 1.00 0.00 N ATOM 835 CA MET A 46 -6.720 1.501 -6.534 1.00 0.00 C ATOM 836 C MET A 46 -7.844 0.930 -7.395 1.00 0.00 C ATOM 837 O MET A 46 -8.230 -0.223 -7.245 1.00 0.00 O ATOM 838 CB MET A 46 -7.319 2.064 -5.242 1.00 0.00 C ATOM 839 CG MET A 46 -6.295 2.502 -4.200 1.00 0.00 C ATOM 840 SD MET A 46 -6.660 1.853 -2.569 1.00 0.00 S ATOM 841 CE MET A 46 -6.521 0.104 -2.908 1.00 0.00 C ATOM 0 H MET A 46 -6.031 3.459 -6.862 1.00 0.00 H new ATOM 0 HA MET A 46 -6.016 0.708 -6.283 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.950 2.917 -5.492 1.00 0.00 H new ATOM 0 HB3 MET A 46 -7.967 1.308 -4.799 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.303 2.170 -4.507 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.267 3.591 -4.157 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.007 -0.387 -2.082 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.517 -0.325 -3.023 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.954 -0.045 -3.827 1.00 0.00 H new ATOM 851 N ALA A 47 -8.352 1.745 -8.307 1.00 0.00 N ATOM 852 CA ALA A 47 -9.450 1.341 -9.180 1.00 0.00 C ATOM 853 C ALA A 47 -9.025 0.255 -10.170 1.00 0.00 C ATOM 854 O ALA A 47 -9.866 -0.389 -10.799 1.00 0.00 O ATOM 855 CB ALA A 47 -9.985 2.550 -9.925 1.00 0.00 C ATOM 0 H ALA A 47 -8.021 2.697 -8.464 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.236 0.919 -8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.804 2.243 -10.575 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.347 3.288 -9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.189 2.988 -10.527 1.00 0.00 H new ATOM 861 N VAL A 48 -7.722 0.065 -10.322 1.00 0.00 N ATOM 862 CA VAL A 48 -7.204 -0.938 -11.243 1.00 0.00 C ATOM 863 C VAL A 48 -6.262 -1.896 -10.511 1.00 0.00 C ATOM 864 O VAL A 48 -5.709 -2.827 -11.096 1.00 0.00 O ATOM 865 CB VAL A 48 -6.472 -0.268 -12.427 1.00 0.00 C ATOM 866 CG1 VAL A 48 -5.126 0.292 -11.998 1.00 0.00 C ATOM 867 CG2 VAL A 48 -6.312 -1.227 -13.591 1.00 0.00 C ATOM 0 H VAL A 48 -7.005 0.590 -9.821 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.046 -1.507 -11.638 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.090 0.565 -12.763 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.636 0.757 -12.854 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.274 1.037 -11.216 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.501 -0.515 -11.616 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.793 -0.725 -14.408 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.733 -2.093 -13.272 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.295 -1.553 -13.932 1.00 0.00 H new ATOM 877 N CYS A 49 -6.099 -1.662 -9.221 1.00 0.00 N ATOM 878 CA CYS A 49 -5.186 -2.445 -8.408 1.00 0.00 C ATOM 879 C CYS A 49 -5.906 -3.010 -7.198 1.00 0.00 C ATOM 880 O CYS A 49 -6.657 -2.309 -6.523 1.00 0.00 O ATOM 881 CB CYS A 49 -4.009 -1.579 -7.953 1.00 0.00 C ATOM 882 SG CYS A 49 -2.860 -2.407 -6.830 1.00 0.00 S ATOM 0 H CYS A 49 -6.592 -0.929 -8.711 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.809 -3.271 -9.011 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.460 -1.244 -8.833 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.399 -0.687 -7.462 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.521 -3.203 -6.042 1.00 0.00 H new ATOM 888 N GLU A 50 -5.677 -4.277 -6.921 1.00 0.00 N ATOM 889 CA GLU A 50 -6.274 -4.896 -5.758 1.00 0.00 C ATOM 890 C GLU A 50 -5.372 -4.735 -4.551 1.00 0.00 C ATOM 891 O GLU A 50 -4.159 -4.918 -4.639 1.00 0.00 O ATOM 892 CB GLU A 50 -6.532 -6.388 -5.972 1.00 0.00 C ATOM 893 CG GLU A 50 -7.330 -6.731 -7.216 1.00 0.00 C ATOM 894 CD GLU A 50 -7.682 -8.206 -7.268 1.00 0.00 C ATOM 895 OE1 GLU A 50 -6.796 -9.041 -6.976 1.00 0.00 O ATOM 896 OE2 GLU A 50 -8.847 -8.530 -7.568 1.00 0.00 O ATOM 0 H GLU A 50 -5.087 -4.893 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.227 -4.395 -5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.573 -6.903 -6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.060 -6.778 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.244 -6.138 -7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.755 -6.463 -8.102 1.00 0.00 H new ATOM 903 N ILE A 51 -5.972 -4.363 -3.439 1.00 0.00 N ATOM 904 CA ILE A 51 -5.322 -4.472 -2.149 1.00 0.00 C ATOM 905 C ILE A 51 -5.845 -5.725 -1.475 1.00 0.00 C ATOM 906 O ILE A 51 -7.039 -5.844 -1.194 1.00 0.00 O ATOM 907 CB ILE A 51 -5.572 -3.231 -1.261 1.00 0.00 C ATOM 908 CG1 ILE A 51 -5.184 -3.488 0.205 1.00 0.00 C ATOM 909 CG2 ILE A 51 -7.023 -2.793 -1.353 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.703 -3.688 0.439 1.00 0.00 C ATOM 0 H ILE A 51 -6.916 -3.979 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.243 -4.530 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.935 -2.430 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.524 -2.647 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.717 -4.371 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.180 -1.919 -0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.262 -2.542 -2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.670 -3.604 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.523 -3.863 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.357 -4.548 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.161 -2.798 0.121 1.00 0.00 H new ATOM 922 N LYS A 52 -4.964 -6.671 -1.252 1.00 0.00 N ATOM 923 CA LYS A 52 -5.384 -7.970 -0.769 1.00 0.00 C ATOM 924 C LYS A 52 -5.497 -7.943 0.747 1.00 0.00 C ATOM 925 O LYS A 52 -4.496 -7.861 1.461 1.00 0.00 O ATOM 926 CB LYS A 52 -4.397 -9.042 -1.231 1.00 0.00 C ATOM 927 CG LYS A 52 -4.000 -8.901 -2.699 1.00 0.00 C ATOM 928 CD LYS A 52 -5.184 -9.068 -3.645 1.00 0.00 C ATOM 929 CE LYS A 52 -5.470 -10.534 -3.928 1.00 0.00 C ATOM 930 NZ LYS A 52 -6.539 -10.719 -4.947 1.00 0.00 N ATOM 0 H LYS A 52 -3.959 -6.570 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.364 -8.213 -1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.501 -8.992 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.839 -10.026 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.549 -7.921 -2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.240 -9.645 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.068 -8.602 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.979 -8.549 -4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.557 -11.019 -4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.765 -11.029 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.317 -11.546 -5.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.451 -10.869 -4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.597 -9.871 -5.547 1.00 0.00 H new ATOM 944 N VAL A 53 -6.731 -7.996 1.222 1.00 0.00 N ATOM 945 CA VAL A 53 -7.021 -7.893 2.642 1.00 0.00 C ATOM 946 C VAL A 53 -7.900 -9.049 3.087 1.00 0.00 C ATOM 947 O VAL A 53 -8.952 -9.303 2.498 1.00 0.00 O ATOM 948 CB VAL A 53 -7.713 -6.550 2.975 1.00 0.00 C ATOM 949 CG1 VAL A 53 -8.170 -6.513 4.425 1.00 0.00 C ATOM 950 CG2 VAL A 53 -6.776 -5.390 2.688 1.00 0.00 C ATOM 0 H VAL A 53 -7.557 -8.111 0.635 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.074 -7.934 3.180 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.595 -6.458 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.653 -5.557 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.877 -7.323 4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.308 -6.632 5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.276 -4.451 2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.878 -5.488 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.501 -5.397 1.633 1.00 0.00 H new ATOM 960 N HIS A 54 -7.453 -9.750 4.119 1.00 0.00 N ATOM 961 CA HIS A 54 -8.157 -10.919 4.621 1.00 0.00 C ATOM 962 C HIS A 54 -7.815 -11.150 6.090 1.00 0.00 C ATOM 963 O HIS A 54 -6.641 -11.109 6.463 1.00 0.00 O ATOM 964 CB HIS A 54 -7.771 -12.150 3.786 1.00 0.00 C ATOM 965 CG HIS A 54 -8.427 -13.434 4.213 1.00 0.00 C ATOM 966 ND1 HIS A 54 -7.732 -14.488 4.771 1.00 0.00 N ATOM 967 CD2 HIS A 54 -9.718 -13.839 4.135 1.00 0.00 C ATOM 968 CE1 HIS A 54 -8.567 -15.481 5.019 1.00 0.00 C ATOM 969 NE2 HIS A 54 -9.776 -15.112 4.642 1.00 0.00 N ATOM 0 H HIS A 54 -6.598 -9.526 4.628 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.231 -10.753 4.538 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.025 -11.958 2.743 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.690 -12.278 3.832 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.547 -13.266 3.746 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.304 -16.433 5.456 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -10.619 -15.682 4.716 1.00 0.00 H new ATOM 978 N SER A 55 -8.851 -11.337 6.910 1.00 0.00 N ATOM 979 CA SER A 55 -8.700 -11.761 8.307 1.00 0.00 C ATOM 980 C SER A 55 -7.859 -10.786 9.139 1.00 0.00 C ATOM 981 O SER A 55 -7.514 -9.688 8.694 1.00 0.00 O ATOM 982 CB SER A 55 -8.093 -13.164 8.355 1.00 0.00 C ATOM 983 OG SER A 55 -8.950 -14.104 7.728 1.00 0.00 O ATOM 0 H SER A 55 -9.821 -11.199 6.625 1.00 0.00 H new ATOM 0 HA SER A 55 -9.695 -11.770 8.753 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.122 -13.163 7.859 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.921 -13.456 9.391 1.00 0.00 H new ATOM 0 HG SER A 55 -8.543 -14.995 7.768 1.00 0.00 H new ATOM 989 N ALA A 56 -7.547 -11.189 10.368 1.00 0.00 N ATOM 990 CA ALA A 56 -6.782 -10.350 11.278 1.00 0.00 C ATOM 991 C ALA A 56 -5.313 -10.759 11.289 1.00 0.00 C ATOM 992 O ALA A 56 -4.655 -10.725 12.331 1.00 0.00 O ATOM 993 CB ALA A 56 -7.368 -10.423 12.680 1.00 0.00 C ATOM 0 H ALA A 56 -7.814 -12.094 10.755 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.842 -9.320 10.928 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.786 -9.791 13.351 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.402 -10.077 12.661 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.337 -11.453 13.034 1.00 0.00 H new ATOM 999 N ASP A 57 -4.817 -11.166 10.123 1.00 0.00 N ATOM 1000 CA ASP A 57 -3.406 -11.496 9.946 1.00 0.00 C ATOM 1001 C ASP A 57 -2.521 -10.332 10.372 1.00 0.00 C ATOM 1002 O ASP A 57 -2.923 -9.169 10.306 1.00 0.00 O ATOM 1003 CB ASP A 57 -3.116 -11.845 8.483 1.00 0.00 C ATOM 1004 CG ASP A 57 -3.811 -13.111 8.032 1.00 0.00 C ATOM 1005 OD1 ASP A 57 -5.032 -13.063 7.786 1.00 0.00 O ATOM 1006 OD2 ASP A 57 -3.139 -14.154 7.917 1.00 0.00 O ATOM 0 H ASP A 57 -5.379 -11.276 9.279 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.184 -12.359 10.573 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.431 -11.017 7.848 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.040 -11.959 8.348 1.00 0.00 H new ATOM 1011 N ASN A 58 -1.312 -10.643 10.804 1.00 0.00 N ATOM 1012 CA ASN A 58 -0.397 -9.621 11.295 1.00 0.00 C ATOM 1013 C ASN A 58 0.414 -9.035 10.147 1.00 0.00 C ATOM 1014 O ASN A 58 1.324 -9.677 9.629 1.00 0.00 O ATOM 1015 CB ASN A 58 0.538 -10.186 12.374 1.00 0.00 C ATOM 1016 CG ASN A 58 -0.162 -10.453 13.700 1.00 0.00 C ATOM 1017 OD1 ASN A 58 -1.444 -10.786 13.653 1.00 0.00 O flip ATOM 1018 ND2 ASN A 58 0.449 -10.357 14.762 1.00 0.00 N flip ATOM 0 H ASN A 58 -0.939 -11.592 10.826 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.993 -8.827 11.745 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.980 -11.114 12.012 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.357 -9.485 12.538 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.436 -10.098 14.761 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.031 -10.536 15.644 1.00 0.00 H new ATOM 1025 N THR A 59 0.043 -7.818 9.749 1.00 0.00 N ATOM 1026 CA THR A 59 0.736 -7.057 8.702 1.00 0.00 C ATOM 1027 C THR A 59 0.907 -7.856 7.402 1.00 0.00 C ATOM 1028 O THR A 59 2.024 -8.082 6.943 1.00 0.00 O ATOM 1029 CB THR A 59 2.115 -6.544 9.181 1.00 0.00 C ATOM 1030 OG1 THR A 59 2.932 -7.612 9.671 1.00 0.00 O ATOM 1031 CG2 THR A 59 1.945 -5.515 10.273 1.00 0.00 C ATOM 0 H THR A 59 -0.756 -7.325 10.147 1.00 0.00 H new ATOM 0 HA THR A 59 0.094 -6.202 8.489 1.00 0.00 H new ATOM 0 HB THR A 59 2.608 -6.093 8.320 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.569 -8.469 9.363 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.924 -5.165 10.598 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.366 -4.673 9.893 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.421 -5.963 11.117 1.00 0.00 H new ATOM 1039 N ARG A 60 -0.205 -8.282 6.812 1.00 0.00 N ATOM 1040 CA ARG A 60 -0.163 -9.061 5.576 1.00 0.00 C ATOM 1041 C ARG A 60 -1.083 -8.450 4.517 1.00 0.00 C ATOM 1042 O ARG A 60 -2.301 -8.636 4.573 1.00 0.00 O ATOM 1043 CB ARG A 60 -0.595 -10.508 5.852 1.00 0.00 C ATOM 1044 CG ARG A 60 0.146 -11.168 7.009 1.00 0.00 C ATOM 1045 CD ARG A 60 1.610 -11.424 6.679 1.00 0.00 C ATOM 1046 NE ARG A 60 1.770 -12.392 5.594 1.00 0.00 N ATOM 1047 CZ ARG A 60 2.942 -12.904 5.215 1.00 0.00 C ATOM 1048 NH1 ARG A 60 4.060 -12.564 5.851 1.00 0.00 N ATOM 1049 NH2 ARG A 60 2.985 -13.764 4.206 1.00 0.00 N ATOM 0 H ARG A 60 -1.144 -8.103 7.167 1.00 0.00 H new ATOM 0 HA ARG A 60 0.861 -9.049 5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.664 -10.523 6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.440 -11.100 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.080 -10.532 7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.339 -12.111 7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.087 -10.485 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.123 -11.790 7.569 1.00 0.00 H new ATOM 0 HE ARG A 60 0.933 -12.694 5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.023 -11.909 6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.954 -12.958 5.557 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.125 -14.030 3.725 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.878 -14.160 3.911 1.00 0.00 H new ATOM 1063 N MET A 61 -0.515 -7.685 3.581 1.00 0.00 N ATOM 1064 CA MET A 61 -1.288 -7.124 2.469 1.00 0.00 C ATOM 1065 C MET A 61 -0.470 -7.148 1.180 1.00 0.00 C ATOM 1066 O MET A 61 0.762 -7.149 1.212 1.00 0.00 O ATOM 1067 CB MET A 61 -1.740 -5.682 2.753 1.00 0.00 C ATOM 1068 CG MET A 61 -2.253 -5.460 4.161 1.00 0.00 C ATOM 1069 SD MET A 61 -1.016 -4.714 5.239 1.00 0.00 S ATOM 1070 CE MET A 61 -1.089 -3.018 4.664 1.00 0.00 C ATOM 0 H MET A 61 0.475 -7.440 3.571 1.00 0.00 H new ATOM 0 HA MET A 61 -2.176 -7.746 2.355 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.903 -5.008 2.573 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.524 -5.413 2.045 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.134 -4.819 4.126 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.570 -6.414 4.583 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.594 -2.368 5.385 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.587 -2.939 3.700 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.130 -2.715 4.557 1.00 0.00 H new ATOM 1080 N GLU A 62 -1.166 -7.160 0.053 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.526 -7.162 -1.255 1.00 0.00 C ATOM 1082 C GLU A 62 -1.238 -6.189 -2.188 1.00 0.00 C ATOM 1083 O GLU A 62 -2.459 -6.056 -2.135 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.543 -8.574 -1.855 1.00 0.00 C ATOM 1085 CG GLU A 62 -0.168 -8.625 -3.330 1.00 0.00 C ATOM 1086 CD GLU A 62 -0.248 -10.025 -3.906 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -1.369 -10.470 -4.235 1.00 0.00 O ATOM 1088 OE2 GLU A 62 0.806 -10.679 -4.044 1.00 0.00 O ATOM 0 H GLU A 62 -2.185 -7.169 0.018 1.00 0.00 H new ATOM 0 HA GLU A 62 0.510 -6.845 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.146 -9.205 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.539 -8.999 -1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.831 -7.967 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.844 -8.242 -3.457 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.470 -5.489 -3.012 1.00 0.00 N ATOM 1096 CA LEU A 63 -1.030 -4.620 -4.032 1.00 0.00 C ATOM 1097 C LEU A 63 -0.743 -5.224 -5.400 1.00 0.00 C ATOM 1098 O LEU A 63 0.417 -5.417 -5.782 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.417 -3.213 -3.940 1.00 0.00 C ATOM 1100 CG LEU A 63 -1.053 -2.243 -2.926 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.421 -1.779 -3.402 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.165 -2.884 -1.552 1.00 0.00 C ATOM 0 H LEU A 63 0.550 -5.508 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.106 -4.532 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.639 -3.318 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.469 -2.754 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.400 -1.374 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.849 -1.095 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.319 -1.267 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.077 -2.641 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.617 -2.177 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.786 -3.777 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.172 -3.158 -1.196 1.00 0.00 H new ATOM 1114 N ILE A 64 -1.792 -5.515 -6.142 1.00 0.00 N ATOM 1115 CA ILE A 64 -1.644 -6.133 -7.447 1.00 0.00 C ATOM 1116 C ILE A 64 -2.341 -5.308 -8.526 1.00 0.00 C ATOM 1117 O ILE A 64 -3.561 -5.132 -8.516 1.00 0.00 O ATOM 1118 CB ILE A 64 -2.159 -7.600 -7.434 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -2.480 -8.108 -8.845 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.370 -7.747 -6.526 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -1.273 -8.251 -9.746 1.00 0.00 C ATOM 0 H ILE A 64 -2.757 -5.334 -5.865 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.581 -6.160 -7.687 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.352 -8.217 -7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.976 -9.075 -8.766 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.188 -7.424 -9.312 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.709 -8.783 -6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.099 -7.464 -5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.172 -7.100 -6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.590 -8.615 -10.723 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.787 -7.282 -9.860 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.572 -8.959 -9.305 1.00 0.00 H new ATOM 1133 N ILE A 65 -1.534 -4.799 -9.447 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.001 -4.010 -10.567 1.00 0.00 C ATOM 1135 C ILE A 65 -1.465 -4.626 -11.859 1.00 0.00 C ATOM 1136 O ILE A 65 -0.255 -4.666 -12.077 1.00 0.00 O ATOM 1137 CB ILE A 65 -1.547 -2.527 -10.406 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -1.381 -1.808 -11.751 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.244 -2.457 -9.620 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -2.610 -1.799 -12.631 1.00 0.00 C ATOM 0 H ILE A 65 -0.522 -4.927 -9.432 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.090 -4.013 -10.603 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.338 -2.013 -9.860 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.083 -0.777 -11.560 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.565 -2.279 -12.299 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.062 -1.416 -9.515 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.391 -2.894 -8.632 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.531 -3.011 -10.150 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.391 -1.268 -13.557 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.900 -2.824 -12.861 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.427 -1.299 -12.110 1.00 0.00 H new ATOM 1152 N PRO A 66 -2.365 -5.133 -12.719 1.00 0.00 N ATOM 1153 CA PRO A 66 -1.984 -5.841 -13.947 1.00 0.00 C ATOM 1154 C PRO A 66 -1.093 -4.995 -14.849 1.00 0.00 C ATOM 1155 O PRO A 66 -1.510 -3.956 -15.366 1.00 0.00 O ATOM 1156 CB PRO A 66 -3.322 -6.120 -14.634 1.00 0.00 C ATOM 1157 CG PRO A 66 -4.332 -6.067 -13.539 1.00 0.00 C ATOM 1158 CD PRO A 66 -3.829 -5.034 -12.575 1.00 0.00 C ATOM 0 HA PRO A 66 -1.406 -6.740 -13.732 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.534 -5.378 -15.403 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.320 -7.094 -15.123 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.315 -5.797 -13.925 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.436 -7.038 -13.054 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.193 -4.037 -12.825 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.150 -5.244 -11.555 1.00 0.00 H new ATOM 1166 N GLY A 67 0.136 -5.440 -15.022 1.00 0.00 N ATOM 1167 CA GLY A 67 1.075 -4.721 -15.853 1.00 0.00 C ATOM 1168 C GLY A 67 2.375 -4.453 -15.129 1.00 0.00 C ATOM 1169 O GLY A 67 3.439 -4.881 -15.575 1.00 0.00 O ATOM 0 H GLY A 67 0.504 -6.292 -14.600 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.274 -5.296 -16.757 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.632 -3.776 -16.167 1.00 0.00 H new ATOM 1173 N GLU A 68 2.289 -3.756 -14.004 1.00 0.00 N ATOM 1174 CA GLU A 68 3.471 -3.448 -13.207 1.00 0.00 C ATOM 1175 C GLU A 68 3.542 -4.384 -12.007 1.00 0.00 C ATOM 1176 O GLU A 68 4.488 -5.166 -11.884 1.00 0.00 O ATOM 1177 CB GLU A 68 3.442 -1.986 -12.752 1.00 0.00 C ATOM 1178 CG GLU A 68 3.302 -1.005 -13.907 1.00 0.00 C ATOM 1179 CD GLU A 68 3.706 0.404 -13.536 1.00 0.00 C ATOM 1180 OE1 GLU A 68 2.947 1.080 -12.810 1.00 0.00 O ATOM 1181 OE2 GLU A 68 4.784 0.846 -13.980 1.00 0.00 O ATOM 0 H GLU A 68 1.415 -3.393 -13.622 1.00 0.00 H new ATOM 0 HA GLU A 68 4.361 -3.595 -13.819 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.613 -1.843 -12.059 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.357 -1.764 -12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.915 -1.345 -14.742 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.268 -1.002 -14.251 1.00 0.00 H new ATOM 1188 N GLN A 69 2.525 -4.290 -11.142 1.00 0.00 N ATOM 1189 CA GLN A 69 2.303 -5.215 -10.016 1.00 0.00 C ATOM 1190 C GLN A 69 3.572 -5.505 -9.200 1.00 0.00 C ATOM 1191 O GLN A 69 4.540 -4.741 -9.233 1.00 0.00 O ATOM 1192 CB GLN A 69 1.651 -6.518 -10.522 1.00 0.00 C ATOM 1193 CG GLN A 69 2.467 -7.294 -11.549 1.00 0.00 C ATOM 1194 CD GLN A 69 1.652 -8.348 -12.266 1.00 0.00 C ATOM 1195 OE1 GLN A 69 1.021 -8.069 -13.287 1.00 0.00 O ATOM 1196 NE2 GLN A 69 1.673 -9.569 -11.751 1.00 0.00 N ATOM 0 H GLN A 69 1.819 -3.557 -11.203 1.00 0.00 H new ATOM 0 HA GLN A 69 1.622 -4.716 -9.327 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.461 -7.167 -9.667 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.682 -6.275 -10.959 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.879 -6.599 -12.281 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.312 -7.770 -11.051 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.209 -9.756 -10.904 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.153 -10.322 -12.202 1.00 0.00 H new ATOM 1205 N HIS A 70 3.525 -6.590 -8.421 1.00 0.00 N ATOM 1206 CA HIS A 70 4.656 -7.023 -7.605 1.00 0.00 C ATOM 1207 C HIS A 70 4.916 -6.019 -6.478 1.00 0.00 C ATOM 1208 O HIS A 70 6.061 -5.691 -6.160 1.00 0.00 O ATOM 1209 CB HIS A 70 5.902 -7.232 -8.486 1.00 0.00 C ATOM 1210 CG HIS A 70 7.072 -7.849 -7.780 1.00 0.00 C ATOM 1211 ND1 HIS A 70 8.313 -7.255 -7.732 1.00 0.00 N ATOM 1212 CD2 HIS A 70 7.190 -9.018 -7.106 1.00 0.00 C ATOM 1213 CE1 HIS A 70 9.145 -8.030 -7.061 1.00 0.00 C ATOM 1214 NE2 HIS A 70 8.488 -9.105 -6.669 1.00 0.00 N ATOM 0 H HIS A 70 2.703 -7.189 -8.341 1.00 0.00 H new ATOM 0 HA HIS A 70 4.417 -7.980 -7.142 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.631 -7.864 -9.331 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.208 -6.268 -8.894 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.409 -9.746 -6.943 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.186 -7.820 -6.866 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.881 -9.876 -6.129 1.00 0.00 H new ATOM 1223 N PHE A 71 3.838 -5.528 -5.879 1.00 0.00 N ATOM 1224 CA PHE A 71 3.942 -4.637 -4.734 1.00 0.00 C ATOM 1225 C PHE A 71 3.429 -5.340 -3.486 1.00 0.00 C ATOM 1226 O PHE A 71 2.241 -5.629 -3.373 1.00 0.00 O ATOM 1227 CB PHE A 71 3.143 -3.348 -4.962 1.00 0.00 C ATOM 1228 CG PHE A 71 3.642 -2.508 -6.104 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.779 -1.728 -5.963 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.970 -2.495 -7.315 1.00 0.00 C ATOM 1231 CE1 PHE A 71 5.237 -0.952 -7.010 1.00 0.00 C ATOM 1232 CE2 PHE A 71 3.423 -1.720 -8.366 1.00 0.00 C ATOM 1233 CZ PHE A 71 4.559 -0.948 -8.213 1.00 0.00 C ATOM 0 H PHE A 71 2.882 -5.733 -6.169 1.00 0.00 H new ATOM 0 HA PHE A 71 4.991 -4.373 -4.604 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.100 -3.608 -5.145 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.168 -2.752 -4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.313 -1.727 -5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.082 -3.097 -7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.125 -0.349 -6.888 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.890 -1.718 -9.305 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.916 -0.343 -9.033 1.00 0.00 H new ATOM 1243 N TYR A 72 4.323 -5.623 -2.556 1.00 0.00 N ATOM 1244 CA TYR A 72 3.933 -6.271 -1.315 1.00 0.00 C ATOM 1245 C TYR A 72 4.020 -5.273 -0.170 1.00 0.00 C ATOM 1246 O TYR A 72 4.864 -4.375 -0.191 1.00 0.00 O ATOM 1247 CB TYR A 72 4.815 -7.496 -1.041 1.00 0.00 C ATOM 1248 CG TYR A 72 4.250 -8.406 0.024 1.00 0.00 C ATOM 1249 CD1 TYR A 72 3.195 -9.260 -0.265 1.00 0.00 C ATOM 1250 CD2 TYR A 72 4.764 -8.409 1.313 1.00 0.00 C ATOM 1251 CE1 TYR A 72 2.662 -10.089 0.701 1.00 0.00 C ATOM 1252 CE2 TYR A 72 4.240 -9.237 2.286 1.00 0.00 C ATOM 1253 CZ TYR A 72 3.188 -10.075 1.974 1.00 0.00 C ATOM 1254 OH TYR A 72 2.659 -10.897 2.939 1.00 0.00 O ATOM 0 H TYR A 72 5.319 -5.416 -2.634 1.00 0.00 H new ATOM 0 HA TYR A 72 2.903 -6.618 -1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.939 -8.061 -1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.807 -7.162 -0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.784 -9.276 -1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.586 -7.754 1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.838 -10.744 0.460 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.651 -9.229 3.285 1.00 0.00 H new ATOM 0 HH TYR A 72 2.302 -11.707 2.519 1.00 0.00 H new ATOM 1264 N MET A 73 3.136 -5.411 0.811 1.00 0.00 N ATOM 1265 CA MET A 73 3.108 -4.489 1.938 1.00 0.00 C ATOM 1266 C MET A 73 3.147 -5.215 3.277 1.00 0.00 C ATOM 1267 O MET A 73 2.467 -6.224 3.478 1.00 0.00 O ATOM 1268 CB MET A 73 1.848 -3.616 1.898 1.00 0.00 C ATOM 1269 CG MET A 73 1.959 -2.386 1.015 1.00 0.00 C ATOM 1270 SD MET A 73 0.517 -1.311 1.169 1.00 0.00 S ATOM 1271 CE MET A 73 1.085 0.149 0.306 1.00 0.00 C ATOM 0 H MET A 73 2.433 -6.149 0.848 1.00 0.00 H new ATOM 0 HA MET A 73 4.000 -3.869 1.847 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.012 -4.223 1.550 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.610 -3.298 2.913 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.857 -1.828 1.281 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.072 -2.695 -0.024 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.301 0.906 0.316 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.974 0.541 0.800 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.327 -0.109 -0.725 1.00 0.00 H new ATOM 1281 N LYS A 74 3.944 -4.682 4.188 1.00 0.00 N ATOM 1282 CA LYS A 74 3.885 -5.064 5.588 1.00 0.00 C ATOM 1283 C LYS A 74 4.012 -3.820 6.452 1.00 0.00 C ATOM 1284 O LYS A 74 4.981 -3.067 6.340 1.00 0.00 O ATOM 1285 CB LYS A 74 4.972 -6.082 5.955 1.00 0.00 C ATOM 1286 CG LYS A 74 5.121 -6.269 7.455 1.00 0.00 C ATOM 1287 CD LYS A 74 6.243 -7.228 7.815 1.00 0.00 C ATOM 1288 CE LYS A 74 6.472 -7.244 9.319 1.00 0.00 C ATOM 1289 NZ LYS A 74 7.531 -8.204 9.732 1.00 0.00 N ATOM 0 H LYS A 74 4.648 -3.974 3.978 1.00 0.00 H new ATOM 0 HA LYS A 74 2.924 -5.546 5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.735 -7.042 5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.925 -5.756 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.311 -5.302 7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.183 -6.642 7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.996 -8.232 7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.160 -6.931 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.747 -6.243 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.539 -7.501 9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.644 -8.173 10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.260 -9.165 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.430 -7.946 9.277 1.00 0.00 H new ATOM 1303 N ALA A 75 3.010 -3.598 7.287 1.00 0.00 N ATOM 1304 CA ALA A 75 2.969 -2.434 8.150 1.00 0.00 C ATOM 1305 C ALA A 75 3.849 -2.628 9.383 1.00 0.00 C ATOM 1306 O ALA A 75 4.483 -3.671 9.539 1.00 0.00 O ATOM 1307 CB ALA A 75 1.527 -2.154 8.546 1.00 0.00 C ATOM 0 H ALA A 75 2.206 -4.218 7.384 1.00 0.00 H new ATOM 0 HA ALA A 75 3.364 -1.576 7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.491 -1.279 9.195 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.934 -1.966 7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.121 -3.016 9.076 1.00 0.00 H new ATOM 1313 N VAL A 76 3.882 -1.621 10.250 1.00 0.00 N ATOM 1314 CA VAL A 76 4.674 -1.680 11.477 1.00 0.00 C ATOM 1315 C VAL A 76 4.238 -2.857 12.346 1.00 0.00 C ATOM 1316 O VAL A 76 5.045 -3.709 12.713 1.00 0.00 O ATOM 1317 CB VAL A 76 4.545 -0.374 12.293 1.00 0.00 C ATOM 1318 CG1 VAL A 76 5.337 -0.461 13.592 1.00 0.00 C ATOM 1319 CG2 VAL A 76 4.987 0.819 11.461 1.00 0.00 C ATOM 0 H VAL A 76 3.367 -0.749 10.126 1.00 0.00 H new ATOM 0 HA VAL A 76 5.715 -1.811 11.182 1.00 0.00 H new ATOM 0 HB VAL A 76 3.496 -0.236 12.555 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.229 0.471 14.147 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.959 -1.288 14.194 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.390 -0.629 13.366 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.890 1.730 12.051 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.027 0.689 11.163 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.361 0.894 10.572 1.00 0.00 H new ATOM 1329 N ASN A 77 2.957 -2.891 12.668 1.00 0.00 N ATOM 1330 CA ASN A 77 2.387 -3.976 13.456 1.00 0.00 C ATOM 1331 C ASN A 77 0.965 -4.256 12.996 1.00 0.00 C ATOM 1332 O ASN A 77 0.433 -3.513 12.175 1.00 0.00 O ATOM 1333 CB ASN A 77 2.435 -3.658 14.956 1.00 0.00 C ATOM 1334 CG ASN A 77 1.920 -2.277 15.287 1.00 0.00 C ATOM 1335 OD1 ASN A 77 2.660 -1.300 15.241 1.00 0.00 O ATOM 1336 ND2 ASN A 77 0.662 -2.188 15.661 1.00 0.00 N ATOM 0 H ASN A 77 2.285 -2.174 12.394 1.00 0.00 H new ATOM 0 HA ASN A 77 2.986 -4.873 13.299 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.845 -4.398 15.497 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.463 -3.750 15.308 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.271 -1.284 15.925 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.077 -3.023 15.687 1.00 0.00 H new ATOM 1343 N ALA A 78 0.375 -5.341 13.485 1.00 0.00 N ATOM 1344 CA ALA A 78 -0.949 -5.783 13.037 1.00 0.00 C ATOM 1345 C ALA A 78 -1.973 -4.642 13.048 1.00 0.00 C ATOM 1346 O ALA A 78 -2.755 -4.497 12.110 1.00 0.00 O ATOM 1347 CB ALA A 78 -1.427 -6.935 13.902 1.00 0.00 C ATOM 0 H ALA A 78 0.794 -5.938 14.198 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.856 -6.119 12.004 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.411 -7.259 13.565 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.725 -7.765 13.823 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.489 -6.609 14.940 1.00 0.00 H new ATOM 1353 N ALA A 79 -1.954 -3.832 14.103 1.00 0.00 N ATOM 1354 CA ALA A 79 -2.833 -2.673 14.205 1.00 0.00 C ATOM 1355 C ALA A 79 -2.571 -1.675 13.082 1.00 0.00 C ATOM 1356 O ALA A 79 -3.502 -1.120 12.496 1.00 0.00 O ATOM 1357 CB ALA A 79 -2.641 -2.010 15.549 1.00 0.00 C ATOM 0 H ALA A 79 -1.335 -3.959 14.904 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.864 -3.014 14.110 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.298 -1.144 15.625 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.882 -2.718 16.342 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.604 -1.689 15.652 1.00 0.00 H new ATOM 1363 N GLU A 80 -1.298 -1.463 12.777 1.00 0.00 N ATOM 1364 CA GLU A 80 -0.910 -0.565 11.696 1.00 0.00 C ATOM 1365 C GLU A 80 -1.387 -1.104 10.355 1.00 0.00 C ATOM 1366 O GLU A 80 -1.737 -0.342 9.454 1.00 0.00 O ATOM 1367 CB GLU A 80 0.597 -0.358 11.684 1.00 0.00 C ATOM 1368 CG GLU A 80 1.094 0.344 12.928 1.00 0.00 C ATOM 1369 CD GLU A 80 0.405 1.669 13.168 1.00 0.00 C ATOM 1370 OE1 GLU A 80 0.826 2.684 12.577 1.00 0.00 O ATOM 1371 OE2 GLU A 80 -0.562 1.697 13.954 1.00 0.00 O ATOM 0 H GLU A 80 -0.515 -1.901 13.263 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.386 0.401 11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.093 -1.324 11.593 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.874 0.226 10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.938 -0.303 13.791 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.168 0.508 12.842 1.00 0.00 H new ATOM 1378 N ARG A 81 -1.399 -2.430 10.230 1.00 0.00 N ATOM 1379 CA ARG A 81 -1.970 -3.078 9.055 1.00 0.00 C ATOM 1380 C ARG A 81 -3.428 -2.673 8.922 1.00 0.00 C ATOM 1381 O ARG A 81 -3.883 -2.312 7.842 1.00 0.00 O ATOM 1382 CB ARG A 81 -1.870 -4.606 9.152 1.00 0.00 C ATOM 1383 CG ARG A 81 -2.587 -5.331 8.017 1.00 0.00 C ATOM 1384 CD ARG A 81 -2.821 -6.794 8.339 1.00 0.00 C ATOM 1385 NE ARG A 81 -3.314 -7.553 7.185 1.00 0.00 N ATOM 1386 CZ ARG A 81 -4.306 -8.443 7.247 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -4.984 -8.612 8.374 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -4.622 -9.165 6.178 1.00 0.00 N ATOM 0 H ARG A 81 -1.021 -3.073 10.926 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.406 -2.759 8.179 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.819 -4.895 9.152 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.290 -4.931 10.104 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.543 -4.845 7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.997 -5.250 7.104 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.890 -7.238 8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.540 -6.872 9.155 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.872 -7.391 6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.748 -8.060 9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.742 -9.294 8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.106 -9.040 5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.381 -9.845 6.228 1.00 0.00 H new ATOM 1402 N GLN A 82 -4.140 -2.710 10.043 1.00 0.00 N ATOM 1403 CA GLN A 82 -5.551 -2.352 10.075 1.00 0.00 C ATOM 1404 C GLN A 82 -5.753 -0.904 9.633 1.00 0.00 C ATOM 1405 O GLN A 82 -6.747 -0.588 8.990 1.00 0.00 O ATOM 1406 CB GLN A 82 -6.128 -2.574 11.481 1.00 0.00 C ATOM 1407 CG GLN A 82 -7.606 -2.223 11.620 1.00 0.00 C ATOM 1408 CD GLN A 82 -8.506 -3.057 10.727 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -8.962 -4.131 11.114 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -8.772 -2.559 9.530 1.00 0.00 N ATOM 0 H GLN A 82 -3.758 -2.987 10.947 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.084 -2.997 9.376 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.988 -3.619 11.757 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.557 -1.978 12.193 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.909 -2.359 12.658 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.746 -1.168 11.383 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.372 -1.664 9.250 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.377 -3.071 8.888 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.804 -0.034 9.965 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.869 1.363 9.545 1.00 0.00 C ATOM 1421 C ARG A 83 -4.835 1.480 8.021 1.00 0.00 C ATOM 1422 O ARG A 83 -5.634 2.207 7.419 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.702 2.148 10.138 1.00 0.00 C ATOM 1424 CG ARG A 83 -3.893 2.564 11.586 1.00 0.00 C ATOM 1425 CD ARG A 83 -2.669 3.301 12.100 1.00 0.00 C ATOM 1426 NE ARG A 83 -2.980 4.170 13.235 1.00 0.00 N ATOM 1427 CZ ARG A 83 -2.070 4.898 13.884 1.00 0.00 C ATOM 1428 NH1 ARG A 83 -0.775 4.739 13.628 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -2.457 5.759 14.818 1.00 0.00 N ATOM 0 H ARG A 83 -3.983 -0.270 10.522 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.810 1.777 9.908 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.798 1.543 10.063 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.538 3.041 9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.771 3.203 11.673 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.078 1.683 12.201 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.910 2.577 12.397 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.242 3.898 11.294 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.949 4.222 13.548 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.473 4.057 12.932 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.084 5.299 14.128 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.448 5.862 15.037 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.763 6.317 15.316 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.927 0.741 7.394 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.850 0.716 5.941 1.00 0.00 C ATOM 1445 C TRP A 84 -5.069 0.014 5.370 1.00 0.00 C ATOM 1446 O TRP A 84 -5.601 0.408 4.339 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.559 0.039 5.475 1.00 0.00 C ATOM 1448 CG TRP A 84 -1.362 0.906 5.682 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.460 0.833 6.699 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.951 1.993 4.852 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.481 1.825 6.563 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.203 2.547 5.433 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.451 2.555 3.674 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 0.861 3.639 4.879 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.792 3.632 3.119 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.352 4.164 3.722 1.00 0.00 C ATOM 0 H TRP A 84 -3.239 0.155 7.867 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.836 1.742 5.574 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -2.426 -0.897 6.017 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.644 -0.214 4.418 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.481 0.103 7.495 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.259 1.996 7.200 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.338 2.153 3.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.741 4.058 5.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.165 4.071 2.205 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.845 5.009 3.264 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.513 -1.013 6.072 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.723 -1.739 5.720 1.00 0.00 C ATOM 1469 C LEU A 85 -7.940 -0.819 5.737 1.00 0.00 C ATOM 1470 O LEU A 85 -8.879 -1.012 4.972 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.922 -2.923 6.664 1.00 0.00 C ATOM 1472 CG LEU A 85 -6.348 -4.255 6.180 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.940 -4.085 5.622 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -6.348 -5.252 7.322 1.00 0.00 C ATOM 0 H LEU A 85 -5.044 -1.369 6.905 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.611 -2.120 4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.468 -2.679 7.625 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.990 -3.050 6.839 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.978 -4.628 5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.562 -5.051 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.963 -3.393 4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.286 -3.689 6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.939 -6.201 6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.736 -4.869 8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.369 -5.403 7.673 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.929 0.170 6.622 1.00 0.00 N ATOM 1487 CA VAL A 86 -9.008 1.138 6.686 1.00 0.00 C ATOM 1488 C VAL A 86 -9.103 1.934 5.387 1.00 0.00 C ATOM 1489 O VAL A 86 -10.174 2.022 4.788 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.805 2.109 7.873 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.734 3.311 7.776 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -9.015 1.384 9.192 1.00 0.00 C ATOM 0 H VAL A 86 -7.184 0.320 7.303 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.937 0.587 6.832 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.780 2.476 7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.564 3.972 8.626 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.534 3.851 6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.770 2.972 7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.869 2.081 10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.028 0.984 9.230 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.299 0.567 9.276 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.989 2.503 4.946 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.994 3.283 3.713 1.00 0.00 C ATOM 1504 C ALA A 87 -8.073 2.392 2.470 1.00 0.00 C ATOM 1505 O ALA A 87 -8.936 2.576 1.614 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.758 4.164 3.652 1.00 0.00 C ATOM 0 H ALA A 87 -7.084 2.442 5.413 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.887 3.909 3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.769 4.743 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.752 4.842 4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.865 3.540 3.678 1.00 0.00 H new ATOM 1512 N LEU A 88 -7.187 1.410 2.407 1.00 0.00 N ATOM 1513 CA LEU A 88 -7.062 0.536 1.245 1.00 0.00 C ATOM 1514 C LEU A 88 -8.213 -0.462 1.143 1.00 0.00 C ATOM 1515 O LEU A 88 -8.782 -0.663 0.072 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.732 -0.214 1.310 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.478 0.661 1.221 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.264 -0.093 1.742 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.247 1.116 -0.213 1.00 0.00 C ATOM 0 H LEU A 88 -6.533 1.194 3.159 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.097 1.165 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.697 -0.776 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.705 -0.942 0.499 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.629 1.543 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.382 0.544 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.428 -0.372 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.111 -0.992 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.352 1.737 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.117 0.245 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.106 1.693 -0.555 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.555 -1.075 2.268 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.534 -2.152 2.276 1.00 0.00 C ATOM 1533 C GLY A 89 -10.909 -1.698 1.838 1.00 0.00 C ATOM 1534 O GLY A 89 -11.645 -2.454 1.207 1.00 0.00 O ATOM 0 H GLY A 89 -8.170 -0.845 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.193 -2.951 1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.598 -2.571 3.280 1.00 0.00 H new ATOM 1538 N SER A 90 -11.249 -0.460 2.158 1.00 0.00 N ATOM 1539 CA SER A 90 -12.526 0.106 1.750 1.00 0.00 C ATOM 1540 C SER A 90 -12.586 0.229 0.232 1.00 0.00 C ATOM 1541 O SER A 90 -13.651 0.111 -0.372 1.00 0.00 O ATOM 1542 CB SER A 90 -12.720 1.471 2.406 1.00 0.00 C ATOM 1543 OG SER A 90 -12.570 1.372 3.811 1.00 0.00 O ATOM 0 H SER A 90 -10.659 0.173 2.699 1.00 0.00 H new ATOM 0 HA SER A 90 -13.330 -0.556 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.995 2.180 2.006 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.710 1.859 2.166 1.00 0.00 H new ATOM 0 HG SER A 90 -11.618 1.313 4.035 1.00 0.00 H new ATOM 1549 N SER A 91 -11.432 0.467 -0.375 1.00 0.00 N ATOM 1550 CA SER A 91 -11.330 0.532 -1.820 1.00 0.00 C ATOM 1551 C SER A 91 -11.509 -0.856 -2.433 1.00 0.00 C ATOM 1552 O SER A 91 -12.035 -0.992 -3.529 1.00 0.00 O ATOM 1553 CB SER A 91 -9.980 1.123 -2.233 1.00 0.00 C ATOM 1554 OG SER A 91 -9.917 1.325 -3.633 1.00 0.00 O ATOM 0 H SER A 91 -10.551 0.619 0.116 1.00 0.00 H new ATOM 0 HA SER A 91 -12.124 1.180 -2.192 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.822 2.071 -1.719 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.177 0.454 -1.923 1.00 0.00 H new ATOM 0 HG SER A 91 -9.582 2.227 -3.819 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.078 -1.889 -1.714 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.164 -3.250 -2.200 1.00 0.00 C ATOM 1562 C LYS A 92 -12.613 -3.728 -2.240 1.00 0.00 C ATOM 1563 O LYS A 92 -13.031 -4.408 -3.183 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.320 -4.151 -1.299 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.825 -5.564 -1.181 1.00 0.00 C ATOM 1566 CD LYS A 92 -10.101 -6.299 -0.074 1.00 0.00 C ATOM 1567 CE LYS A 92 -10.202 -7.794 -0.250 1.00 0.00 C ATOM 1568 NZ LYS A 92 -11.604 -8.283 -0.146 1.00 0.00 N ATOM 0 H LYS A 92 -10.664 -1.801 -0.786 1.00 0.00 H new ATOM 0 HA LYS A 92 -10.781 -3.292 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.300 -4.174 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.276 -3.710 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.896 -5.557 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.681 -6.087 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.052 -6.002 -0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.523 -6.015 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.794 -8.071 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.590 -8.288 0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.615 -9.321 -0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.009 -7.984 0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.169 -7.886 -0.924 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.364 -3.357 -1.220 1.00 0.00 N ATOM 1583 CA ALA A 93 -14.735 -3.798 -1.072 1.00 0.00 C ATOM 1584 C ALA A 93 -15.643 -3.208 -2.153 1.00 0.00 C ATOM 1585 O ALA A 93 -15.796 -1.990 -2.251 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.233 -3.435 0.315 1.00 0.00 C ATOM 0 H ALA A 93 -13.040 -2.743 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.765 -4.881 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.265 -3.766 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.610 -3.923 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.182 -2.354 0.449 1.00 0.00 H new ATOM 1592 N SER A 94 -16.226 -4.093 -2.964 1.00 0.00 N ATOM 1593 CA SER A 94 -17.185 -3.715 -4.000 1.00 0.00 C ATOM 1594 C SER A 94 -16.559 -2.831 -5.079 1.00 0.00 C ATOM 1595 O SER A 94 -17.188 -1.895 -5.581 1.00 0.00 O ATOM 1596 CB SER A 94 -18.393 -3.022 -3.376 1.00 0.00 C ATOM 1597 OG SER A 94 -19.035 -3.866 -2.432 1.00 0.00 O ATOM 0 H SER A 94 -16.044 -5.096 -2.919 1.00 0.00 H new ATOM 0 HA SER A 94 -17.510 -4.633 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.076 -2.101 -2.888 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.099 -2.742 -4.157 1.00 0.00 H new ATOM 0 HG SER A 94 -19.805 -3.398 -2.045 1.00 0.00 H new ATOM 1603 N LEU A 95 -15.328 -3.142 -5.437 1.00 0.00 N ATOM 1604 CA LEU A 95 -14.651 -2.469 -6.532 1.00 0.00 C ATOM 1605 C LEU A 95 -14.309 -3.488 -7.608 1.00 0.00 C ATOM 1606 O LEU A 95 -13.892 -4.603 -7.285 1.00 0.00 O ATOM 1607 CB LEU A 95 -13.395 -1.774 -6.019 1.00 0.00 C ATOM 1608 CG LEU A 95 -12.555 -1.045 -7.067 1.00 0.00 C ATOM 1609 CD1 LEU A 95 -13.314 0.142 -7.644 1.00 0.00 C ATOM 1610 CD2 LEU A 95 -11.236 -0.597 -6.453 1.00 0.00 C ATOM 0 H LEU A 95 -14.770 -3.864 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 95 -15.304 -1.709 -6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.689 -1.055 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.765 -2.519 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.345 -1.733 -7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -12.694 0.644 -8.387 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -14.233 -0.208 -8.114 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -13.559 0.841 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.642 -0.078 -7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.433 0.076 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.687 -1.468 -6.095 1.00 0.00 H new ATOM 1622 N THR A 96 -14.511 -3.102 -8.873 1.00 0.00 N ATOM 1623 CA THR A 96 -14.320 -3.975 -10.046 1.00 0.00 C ATOM 1624 C THR A 96 -15.173 -5.246 -9.981 1.00 0.00 C ATOM 1625 O THR A 96 -15.828 -5.536 -8.977 1.00 0.00 O ATOM 1626 CB THR A 96 -12.833 -4.340 -10.316 1.00 0.00 C ATOM 1627 OG1 THR A 96 -12.150 -4.724 -9.116 1.00 0.00 O ATOM 1628 CG2 THR A 96 -12.111 -3.174 -10.969 1.00 0.00 C ATOM 0 H THR A 96 -14.817 -2.160 -9.119 1.00 0.00 H new ATOM 0 HA THR A 96 -14.663 -3.375 -10.889 1.00 0.00 H new ATOM 0 HB THR A 96 -12.828 -5.195 -10.992 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.799 -5.065 -8.465 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.071 -3.446 -11.151 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.594 -2.931 -11.916 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.149 -2.307 -10.309 1.00 0.00 H new ATOM 1636 N ASP A 97 -15.204 -5.972 -11.086 1.00 0.00 N ATOM 1637 CA ASP A 97 -16.000 -7.179 -11.185 1.00 0.00 C ATOM 1638 C ASP A 97 -15.118 -8.419 -11.141 1.00 0.00 C ATOM 1639 O ASP A 97 -13.960 -8.377 -11.567 1.00 0.00 O ATOM 1640 CB ASP A 97 -16.833 -7.167 -12.468 1.00 0.00 C ATOM 1641 CG ASP A 97 -15.982 -7.132 -13.720 1.00 0.00 C ATOM 1642 OD1 ASP A 97 -15.403 -6.067 -14.020 1.00 0.00 O ATOM 1643 OD2 ASP A 97 -15.892 -8.163 -14.417 1.00 0.00 O ATOM 0 H ASP A 97 -14.682 -5.742 -11.932 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.674 -7.209 -10.329 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -17.469 -8.052 -12.491 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -17.494 -6.300 -12.459 1.00 0.00 H new ATOM 1648 N THR A 98 -15.687 -9.520 -10.638 1.00 0.00 N ATOM 1649 CA THR A 98 -14.967 -10.781 -10.441 1.00 0.00 C ATOM 1650 C THR A 98 -13.640 -10.560 -9.716 1.00 0.00 C ATOM 1651 O THR A 98 -12.567 -10.850 -10.244 1.00 0.00 O ATOM 1652 CB THR A 98 -14.741 -11.545 -11.770 1.00 0.00 C ATOM 1653 OG1 THR A 98 -14.076 -10.721 -12.735 1.00 0.00 O ATOM 1654 CG2 THR A 98 -16.068 -12.018 -12.343 1.00 0.00 C ATOM 0 H THR A 98 -16.666 -9.560 -10.355 1.00 0.00 H new ATOM 0 HA THR A 98 -15.603 -11.404 -9.812 1.00 0.00 H new ATOM 0 HB THR A 98 -14.110 -12.407 -11.551 1.00 0.00 H new ATOM 0 HG1 THR A 98 -13.636 -9.973 -12.279 1.00 0.00 H new ATOM 0 HG21 THR A 98 -15.891 -12.553 -13.276 1.00 0.00 H new ATOM 0 HG22 THR A 98 -16.556 -12.683 -11.630 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.709 -11.158 -12.534 1.00 0.00 H new ATOM 1662 N ARG A 99 -13.729 -10.051 -8.498 1.00 0.00 N ATOM 1663 CA ARG A 99 -12.548 -9.698 -7.730 1.00 0.00 C ATOM 1664 C ARG A 99 -12.193 -10.813 -6.750 1.00 0.00 C ATOM 1665 O ARG A 99 -13.074 -11.523 -6.260 1.00 0.00 O ATOM 1666 CB ARG A 99 -12.787 -8.378 -6.992 1.00 0.00 C ATOM 1667 CG ARG A 99 -11.569 -7.877 -6.240 1.00 0.00 C ATOM 1668 CD ARG A 99 -11.705 -6.411 -5.861 1.00 0.00 C ATOM 1669 NE ARG A 99 -10.559 -5.636 -6.345 1.00 0.00 N ATOM 1670 CZ ARG A 99 -10.336 -4.356 -6.051 1.00 0.00 C ATOM 1671 NH1 ARG A 99 -11.144 -3.720 -5.218 1.00 0.00 N ATOM 1672 NH2 ARG A 99 -9.297 -3.716 -6.584 1.00 0.00 N ATOM 0 H ARG A 99 -14.612 -9.873 -8.019 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.706 -9.571 -8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.098 -7.620 -7.711 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.610 -8.507 -6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.427 -8.474 -5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.680 -8.013 -6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.626 -6.007 -6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.781 -6.317 -4.778 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.886 -6.109 -6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.936 -4.210 -4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.975 -2.740 -4.992 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.668 -4.206 -7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.130 -2.736 -6.356 1.00 0.00 H new ATOM 1686 N THR A 100 -10.906 -10.975 -6.476 1.00 0.00 N ATOM 1687 CA THR A 100 -10.451 -11.993 -5.544 1.00 0.00 C ATOM 1688 C THR A 100 -10.104 -11.359 -4.198 1.00 0.00 C ATOM 1689 O THR A 100 -10.986 -11.327 -3.313 1.00 0.00 O ATOM 1690 CB THR A 100 -9.229 -12.753 -6.102 1.00 0.00 C ATOM 1691 OG1 THR A 100 -9.509 -13.204 -7.435 1.00 0.00 O ATOM 1692 CG2 THR A 100 -8.882 -13.949 -5.227 1.00 0.00 C ATOM 1693 OXT THR A 100 -8.966 -10.870 -4.041 1.00 0.00 O ATOM 0 H THR A 100 -10.160 -10.414 -6.887 1.00 0.00 H new ATOM 0 HA THR A 100 -11.261 -12.708 -5.404 1.00 0.00 H new ATOM 0 HB THR A 100 -8.378 -12.072 -6.110 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.731 -13.685 -7.788 1.00 0.00 H new ATOM 0 HG21 THR A 100 -8.018 -14.466 -5.644 1.00 0.00 H new ATOM 0 HG22 THR A 100 -8.649 -13.607 -4.219 1.00 0.00 H new ATOM 0 HG23 THR A 100 -9.731 -14.632 -5.191 1.00 0.00 H new TER 1701 THR A 100