USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 696 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 17 LYS NZ :NH3+ -120:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 66 ASN : amide:sc= 0.738 K(o=1.9,f=-10!) USER MOD Single : A 3 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.29) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= -1.37! USER MOD Single : A 7 THR OG1 : rot 109:sc= 1.25 USER MOD Single : A 9 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.8!) USER MOD Single : A 11 LYS NZ :NH3+ -133:sc= 0.252 (180deg=-0.315) USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= -0.0192 (180deg=-0.492) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 150:sc= -4.73! USER MOD Single : A 41 ASN : amide:sc= -0.765 X(o=-0.77,f=-0.37) USER MOD Single : A 44 THR OG1 : rot 45:sc= -0.29! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 85:sc= 0.868 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0406 USER MOD Single : A 63 THR OG1 : rot -150:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.124 USER MOD Single : A 86 ASN : amide:sc= -0.0793 K(o=-0.079,f=-2.1!) USER MOD Single : A 89 SER OG : rot -101:sc= 0.824 USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= -0.0128 (180deg=-0.142) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.327 F(o=-2.5,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.441 5.550 -16.051 1.00 0.00 N ATOM 32 CA GLN A 3 -5.809 4.458 -15.103 1.00 0.00 C ATOM 33 C GLN A 3 -6.087 5.037 -13.704 1.00 0.00 C ATOM 34 O GLN A 3 -5.310 4.846 -12.786 1.00 0.00 O ATOM 35 CB GLN A 3 -4.592 3.531 -15.074 1.00 0.00 C ATOM 36 CG GLN A 3 -4.499 2.768 -16.396 1.00 0.00 C ATOM 37 CD GLN A 3 -5.663 1.774 -16.498 1.00 0.00 C ATOM 38 OE1 GLN A 3 -5.644 0.739 -15.863 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.686 2.042 -17.273 1.00 0.00 N ATOM 0 HA GLN A 3 -6.713 3.931 -15.410 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.684 4.111 -14.912 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.675 2.831 -14.243 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.528 3.465 -17.233 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.548 2.238 -16.456 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.707 2.910 -17.808 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.461 1.383 -17.341 1.00 0.00 H new ATOM 48 N GLU A 4 -7.191 5.737 -13.530 1.00 0.00 N ATOM 49 CA GLU A 4 -7.504 6.311 -12.176 1.00 0.00 C ATOM 50 C GLU A 4 -8.413 5.349 -11.401 1.00 0.00 C ATOM 51 O GLU A 4 -8.227 5.145 -10.216 1.00 0.00 O ATOM 52 CB GLU A 4 -8.218 7.645 -12.430 1.00 0.00 C ATOM 53 CG GLU A 4 -7.247 8.627 -13.088 1.00 0.00 C ATOM 54 CD GLU A 4 -8.034 9.776 -13.722 1.00 0.00 C ATOM 55 OE1 GLU A 4 -8.512 9.599 -14.830 1.00 0.00 O ATOM 56 OE2 GLU A 4 -8.145 10.812 -13.089 1.00 0.00 O ATOM 0 H GLU A 4 -7.879 5.933 -14.257 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.603 6.459 -11.581 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.085 7.489 -13.072 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.587 8.057 -11.491 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.549 9.016 -12.347 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.655 8.116 -13.847 1.00 0.00 H new ATOM 63 N GLN A 5 -9.387 4.739 -12.053 1.00 0.00 N ATOM 64 CA GLN A 5 -10.285 3.771 -11.318 1.00 0.00 C ATOM 65 C GLN A 5 -9.427 2.698 -10.621 1.00 0.00 C ATOM 66 O GLN A 5 -9.713 2.301 -9.507 1.00 0.00 O ATOM 67 CB GLN A 5 -11.231 3.138 -12.362 1.00 0.00 C ATOM 68 CG GLN A 5 -10.436 2.318 -13.386 1.00 0.00 C ATOM 69 CD GLN A 5 -11.330 2.002 -14.591 1.00 0.00 C ATOM 70 OE1 GLN A 5 -10.960 2.267 -15.717 1.00 0.00 O ATOM 71 NE2 GLN A 5 -12.501 1.442 -14.407 1.00 0.00 N ATOM 0 H GLN A 5 -9.597 4.865 -13.043 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.869 4.276 -10.548 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.958 2.498 -11.861 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.793 3.920 -12.872 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.556 2.874 -13.708 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.080 1.394 -12.931 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.816 1.217 -13.463 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.097 1.231 -15.208 1.00 0.00 H new ATOM 80 N TYR A 6 -8.351 2.264 -11.247 1.00 0.00 N ATOM 81 CA TYR A 6 -7.457 1.259 -10.578 1.00 0.00 C ATOM 82 C TYR A 6 -6.670 1.971 -9.469 1.00 0.00 C ATOM 83 O TYR A 6 -6.443 1.418 -8.411 1.00 0.00 O ATOM 84 CB TYR A 6 -6.492 0.732 -11.652 1.00 0.00 C ATOM 85 CG TYR A 6 -7.189 -0.303 -12.499 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.180 -1.646 -12.110 1.00 0.00 C ATOM 87 CD2 TYR A 6 -7.841 0.082 -13.676 1.00 0.00 C ATOM 88 CE1 TYR A 6 -7.822 -2.606 -12.896 1.00 0.00 C ATOM 89 CE2 TYR A 6 -8.486 -0.879 -14.464 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.477 -2.224 -14.074 1.00 0.00 C ATOM 91 OH TYR A 6 -9.113 -3.171 -14.850 1.00 0.00 O ATOM 0 H TYR A 6 -8.058 2.558 -12.179 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.024 0.438 -10.140 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.145 1.554 -12.278 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.611 0.297 -11.181 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.676 -1.941 -11.201 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -7.847 1.119 -13.976 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.813 -3.643 -12.595 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -8.990 -0.583 -15.372 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.517 -2.737 -15.630 1.00 0.00 H new ATOM 101 N THR A 7 -6.257 3.202 -9.704 1.00 0.00 N ATOM 102 CA THR A 7 -5.489 3.951 -8.650 1.00 0.00 C ATOM 103 C THR A 7 -6.377 4.171 -7.416 1.00 0.00 C ATOM 104 O THR A 7 -5.921 4.037 -6.295 1.00 0.00 O ATOM 105 CB THR A 7 -5.099 5.302 -9.283 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.272 5.067 -10.415 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.344 6.176 -8.278 1.00 0.00 C ATOM 0 H THR A 7 -6.417 3.714 -10.571 1.00 0.00 H new ATOM 0 HA THR A 7 -4.606 3.400 -8.325 1.00 0.00 H new ATOM 0 HB THR A 7 -6.009 5.823 -9.582 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.770 5.277 -11.233 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.079 7.124 -8.747 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.978 6.364 -7.411 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.437 5.663 -7.959 1.00 0.00 H new ATOM 115 N GLU A 8 -7.636 4.505 -7.606 1.00 0.00 N ATOM 116 CA GLU A 8 -8.530 4.723 -6.413 1.00 0.00 C ATOM 117 C GLU A 8 -8.769 3.390 -5.699 1.00 0.00 C ATOM 118 O GLU A 8 -8.736 3.322 -4.484 1.00 0.00 O ATOM 119 CB GLU A 8 -9.855 5.299 -6.938 1.00 0.00 C ATOM 120 CG GLU A 8 -9.759 6.825 -7.005 1.00 0.00 C ATOM 121 CD GLU A 8 -9.253 7.246 -8.385 1.00 0.00 C ATOM 122 OE1 GLU A 8 -9.911 6.918 -9.360 1.00 0.00 O ATOM 123 OE2 GLU A 8 -8.218 7.887 -8.446 1.00 0.00 O ATOM 0 H GLU A 8 -8.078 4.634 -8.516 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.075 5.409 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.073 4.894 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.676 5.004 -6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.735 7.270 -6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.084 7.192 -6.231 1.00 0.00 H new ATOM 130 N ASN A 9 -8.986 2.324 -6.438 1.00 0.00 N ATOM 131 CA ASN A 9 -9.197 0.994 -5.769 1.00 0.00 C ATOM 132 C ASN A 9 -7.855 0.487 -5.227 1.00 0.00 C ATOM 133 O ASN A 9 -7.792 -0.062 -4.141 1.00 0.00 O ATOM 134 CB ASN A 9 -9.748 0.035 -6.837 1.00 0.00 C ATOM 135 CG ASN A 9 -11.161 0.476 -7.239 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.339 1.550 -7.780 1.00 0.00 O ATOM 137 ND2 ASN A 9 -12.184 -0.309 -7.000 1.00 0.00 N ATOM 0 H ASN A 9 -9.026 2.314 -7.457 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.894 1.068 -4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.095 0.031 -7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.770 -0.984 -6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -13.124 -0.017 -7.268 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.040 -1.211 -6.546 1.00 0.00 H new ATOM 144 N LEU A 10 -6.776 0.683 -5.958 1.00 0.00 N ATOM 145 CA LEU A 10 -5.440 0.223 -5.446 1.00 0.00 C ATOM 146 C LEU A 10 -5.078 1.006 -4.175 1.00 0.00 C ATOM 147 O LEU A 10 -4.492 0.461 -3.258 1.00 0.00 O ATOM 148 CB LEU A 10 -4.412 0.502 -6.555 1.00 0.00 C ATOM 149 CG LEU A 10 -3.045 -0.041 -6.135 1.00 0.00 C ATOM 150 CD1 LEU A 10 -3.111 -1.566 -6.028 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.999 0.350 -7.180 1.00 0.00 C ATOM 0 H LEU A 10 -6.762 1.134 -6.873 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.456 -0.838 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.730 0.033 -7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.347 1.574 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.770 0.379 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.137 -1.952 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.857 -1.847 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.387 -1.987 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.024 -0.036 -6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.276 -0.071 -8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.950 1.436 -7.257 1.00 0.00 H new ATOM 163 N LYS A 11 -5.425 2.279 -4.101 1.00 0.00 N ATOM 164 CA LYS A 11 -5.092 3.070 -2.860 1.00 0.00 C ATOM 165 C LYS A 11 -5.707 2.403 -1.619 1.00 0.00 C ATOM 166 O LYS A 11 -5.119 2.425 -0.553 1.00 0.00 O ATOM 167 CB LYS A 11 -5.683 4.476 -3.052 1.00 0.00 C ATOM 168 CG LYS A 11 -5.155 5.405 -1.957 1.00 0.00 C ATOM 169 CD LYS A 11 -6.150 5.444 -0.794 1.00 0.00 C ATOM 170 CE LYS A 11 -5.388 5.584 0.526 1.00 0.00 C ATOM 171 NZ LYS A 11 -4.977 7.014 0.582 1.00 0.00 N ATOM 0 H LYS A 11 -5.915 2.796 -4.831 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.013 3.117 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.414 4.864 -4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.771 4.433 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.184 5.056 -1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.008 6.408 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.839 6.279 -0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.751 4.534 -0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.018 5.321 1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.522 4.923 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.974 7.077 0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.115 7.452 -0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.555 7.514 1.288 1.00 0.00 H new ATOM 185 N VAL A 12 -6.873 1.800 -1.742 1.00 0.00 N ATOM 186 CA VAL A 12 -7.485 1.129 -0.543 1.00 0.00 C ATOM 187 C VAL A 12 -6.694 -0.147 -0.225 1.00 0.00 C ATOM 188 O VAL A 12 -6.336 -0.391 0.912 1.00 0.00 O ATOM 189 CB VAL A 12 -8.938 0.789 -0.918 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.613 0.049 0.238 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.702 2.082 -1.208 1.00 0.00 C ATOM 0 H VAL A 12 -7.417 1.744 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.462 1.770 0.338 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.942 0.153 -1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.641 -0.189 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.070 -0.873 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.609 0.681 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.732 1.844 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.693 2.716 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.226 2.608 -2.035 1.00 0.00 H new ATOM 201 N ILE A 13 -6.410 -0.954 -1.222 1.00 0.00 N ATOM 202 CA ILE A 13 -5.624 -2.210 -0.958 1.00 0.00 C ATOM 203 C ILE A 13 -4.212 -1.844 -0.469 1.00 0.00 C ATOM 204 O ILE A 13 -3.658 -2.521 0.377 1.00 0.00 O ATOM 205 CB ILE A 13 -5.565 -2.984 -2.287 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.997 -3.315 -2.743 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.777 -4.283 -2.094 1.00 0.00 C ATOM 208 CD1 ILE A 13 -7.129 -3.098 -4.254 1.00 0.00 C ATOM 0 H ILE A 13 -6.682 -0.804 -2.193 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.089 -2.821 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.070 -2.373 -3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.237 -4.348 -2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.711 -2.685 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.737 -4.828 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.764 -4.049 -1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.268 -4.898 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.146 -3.335 -4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.908 -2.058 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.427 -3.747 -4.777 1.00 0.00 H new ATOM 220 N VAL A 14 -3.627 -0.774 -0.977 1.00 0.00 N ATOM 221 CA VAL A 14 -2.252 -0.386 -0.500 1.00 0.00 C ATOM 222 C VAL A 14 -2.331 0.036 0.975 1.00 0.00 C ATOM 223 O VAL A 14 -1.490 -0.334 1.773 1.00 0.00 O ATOM 224 CB VAL A 14 -1.793 0.795 -1.372 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.384 1.228 -0.953 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.780 0.370 -2.846 1.00 0.00 C ATOM 0 H VAL A 14 -4.033 -0.165 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.549 -1.215 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.482 1.629 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.061 2.065 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.393 1.533 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.306 0.394 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.455 1.207 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.093 -0.466 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.783 0.066 -3.146 1.00 0.00 H new ATOM 236 N ALA A 15 -3.344 0.797 1.350 1.00 0.00 N ATOM 237 CA ALA A 15 -3.462 1.217 2.793 1.00 0.00 C ATOM 238 C ALA A 15 -3.609 -0.026 3.691 1.00 0.00 C ATOM 239 O ALA A 15 -3.113 -0.050 4.801 1.00 0.00 O ATOM 240 CB ALA A 15 -4.718 2.097 2.900 1.00 0.00 C ATOM 0 H ALA A 15 -4.080 1.139 0.732 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.575 1.762 3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.845 2.426 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.609 2.967 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.592 1.523 2.592 1.00 0.00 H new ATOM 246 N GLU A 16 -4.284 -1.064 3.223 1.00 0.00 N ATOM 247 CA GLU A 16 -4.447 -2.302 4.072 1.00 0.00 C ATOM 248 C GLU A 16 -3.076 -2.813 4.549 1.00 0.00 C ATOM 249 O GLU A 16 -2.946 -3.286 5.662 1.00 0.00 O ATOM 250 CB GLU A 16 -5.115 -3.360 3.178 1.00 0.00 C ATOM 251 CG GLU A 16 -5.490 -4.583 4.019 1.00 0.00 C ATOM 252 CD GLU A 16 -5.460 -5.836 3.141 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.809 -5.729 1.977 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.088 -6.881 3.648 1.00 0.00 O ATOM 0 H GLU A 16 -4.723 -1.107 2.303 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.046 -2.089 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.006 -2.943 2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.438 -3.652 2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.794 -4.692 4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.483 -4.451 4.449 1.00 0.00 H new ATOM 261 N LYS A 17 -2.053 -2.717 3.723 1.00 0.00 N ATOM 262 CA LYS A 17 -0.698 -3.200 4.161 1.00 0.00 C ATOM 263 C LYS A 17 0.008 -2.101 4.969 1.00 0.00 C ATOM 264 O LYS A 17 0.602 -2.371 5.996 1.00 0.00 O ATOM 265 CB LYS A 17 0.090 -3.515 2.880 1.00 0.00 C ATOM 266 CG LYS A 17 0.905 -4.797 3.079 1.00 0.00 C ATOM 267 CD LYS A 17 1.976 -4.573 4.157 1.00 0.00 C ATOM 268 CE LYS A 17 1.606 -5.345 5.428 1.00 0.00 C ATOM 269 NZ LYS A 17 2.030 -6.748 5.162 1.00 0.00 N ATOM 0 H LYS A 17 -2.096 -2.331 2.780 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.774 -4.082 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.595 -3.634 2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.753 -2.685 2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.247 -5.615 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.377 -5.088 2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.948 -4.903 3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.064 -3.510 4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.116 -4.937 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.536 -5.287 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.204 -7.377 5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.448 -6.810 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.734 -7.038 5.870 1.00 0.00 H new ATOM 283 N LEU A 18 -0.059 -0.860 4.525 1.00 0.00 N ATOM 284 CA LEU A 18 0.611 0.242 5.301 1.00 0.00 C ATOM 285 C LEU A 18 -0.078 0.395 6.663 1.00 0.00 C ATOM 286 O LEU A 18 0.566 0.348 7.694 1.00 0.00 O ATOM 287 CB LEU A 18 0.447 1.523 4.475 1.00 0.00 C ATOM 288 CG LEU A 18 1.272 1.406 3.196 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.572 2.168 2.070 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.662 2.000 3.437 1.00 0.00 C ATOM 0 H LEU A 18 -0.540 -0.567 3.674 1.00 0.00 H new ATOM 0 HA LEU A 18 1.665 0.028 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.604 1.680 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.773 2.387 5.054 1.00 0.00 H new ATOM 0 HG LEU A 18 1.370 0.358 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.159 2.086 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.418 1.744 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.476 3.218 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.255 1.919 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.566 3.050 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.156 1.455 4.242 1.00 0.00 H new ATOM 302 N ALA A 19 -1.387 0.558 6.679 1.00 0.00 N ATOM 303 CA ALA A 19 -2.103 0.690 7.999 1.00 0.00 C ATOM 304 C ALA A 19 -1.865 -0.566 8.864 1.00 0.00 C ATOM 305 O ALA A 19 -1.932 -0.500 10.076 1.00 0.00 O ATOM 306 CB ALA A 19 -3.601 0.829 7.679 1.00 0.00 C ATOM 0 H ALA A 19 -1.982 0.605 5.852 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.736 1.552 8.556 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.164 0.928 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.761 1.713 7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.942 -0.055 7.141 1.00 0.00 H new ATOM 312 N GLY A 20 -1.597 -1.714 8.258 1.00 0.00 N ATOM 313 CA GLY A 20 -1.369 -2.951 9.063 1.00 0.00 C ATOM 314 C GLY A 20 0.040 -2.946 9.678 1.00 0.00 C ATOM 315 O GLY A 20 0.236 -3.458 10.765 1.00 0.00 O ATOM 0 H GLY A 20 -1.529 -1.836 7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.116 -3.019 9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.492 -3.830 8.431 1.00 0.00 H new ATOM 319 N ILE A 21 1.033 -2.387 9.004 1.00 0.00 N ATOM 320 CA ILE A 21 2.424 -2.386 9.597 1.00 0.00 C ATOM 321 C ILE A 21 2.402 -1.711 10.988 1.00 0.00 C ATOM 322 O ILE A 21 1.864 -0.631 11.131 1.00 0.00 O ATOM 323 CB ILE A 21 3.325 -1.602 8.619 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.420 -2.368 7.294 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.734 -1.450 9.204 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.596 -1.382 6.134 1.00 0.00 C ATOM 0 H ILE A 21 0.945 -1.942 8.091 1.00 0.00 H new ATOM 0 HA ILE A 21 2.801 -3.400 9.733 1.00 0.00 H new ATOM 0 HB ILE A 21 2.893 -0.615 8.455 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.260 -3.062 7.324 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.520 -2.964 7.143 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.360 -0.895 8.505 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.679 -0.910 10.149 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.166 -2.436 9.374 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.663 -1.932 5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.742 -0.706 6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.509 -0.805 6.282 1.00 0.00 H new ATOM 338 N PRO A 22 2.982 -2.367 11.978 1.00 0.00 N ATOM 339 CA PRO A 22 3.000 -1.795 13.352 1.00 0.00 C ATOM 340 C PRO A 22 3.983 -0.613 13.477 1.00 0.00 C ATOM 341 O PRO A 22 3.842 0.207 14.365 1.00 0.00 O ATOM 342 CB PRO A 22 3.456 -2.962 14.223 1.00 0.00 C ATOM 343 CG PRO A 22 4.230 -3.853 13.307 1.00 0.00 C ATOM 344 CD PRO A 22 3.661 -3.674 11.926 1.00 0.00 C ATOM 0 HA PRO A 22 2.028 -1.392 13.637 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.074 -2.617 15.052 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.604 -3.487 14.657 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.289 -3.595 13.323 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.151 -4.893 13.624 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.445 -3.685 11.168 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.965 -4.474 11.676 1.00 0.00 H new ATOM 415 N ASP A 27 2.161 9.587 7.674 1.00 0.00 N ATOM 416 CA ASP A 27 1.803 9.654 6.218 1.00 0.00 C ATOM 417 C ASP A 27 1.359 8.274 5.691 1.00 0.00 C ATOM 418 O ASP A 27 1.642 7.925 4.560 1.00 0.00 O ATOM 419 CB ASP A 27 3.082 10.110 5.513 1.00 0.00 C ATOM 420 CG ASP A 27 3.127 11.638 5.476 1.00 0.00 C ATOM 421 OD1 ASP A 27 2.247 12.222 4.866 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.043 12.198 6.056 1.00 0.00 O ATOM 0 HA ASP A 27 0.969 10.333 6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.956 9.722 6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.114 9.710 4.500 1.00 0.00 H new ATOM 427 N ILE A 28 0.668 7.487 6.494 1.00 0.00 N ATOM 428 CA ILE A 28 0.221 6.132 6.004 1.00 0.00 C ATOM 429 C ILE A 28 -0.801 6.291 4.862 1.00 0.00 C ATOM 430 O ILE A 28 -0.829 5.490 3.946 1.00 0.00 O ATOM 431 CB ILE A 28 -0.366 5.387 7.235 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.492 3.879 6.940 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.732 5.960 7.640 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.533 3.610 5.842 1.00 0.00 C ATOM 0 H ILE A 28 0.398 7.718 7.450 1.00 0.00 H new ATOM 0 HA ILE A 28 1.046 5.554 5.588 1.00 0.00 H new ATOM 0 HB ILE A 28 0.321 5.532 8.068 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.476 3.485 6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.776 3.351 7.850 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.113 5.416 8.504 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.623 7.014 7.894 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.430 5.857 6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.598 2.538 5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.506 3.983 6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.235 4.119 4.925 1.00 0.00 H new ATOM 446 N LYS A 29 -1.621 7.319 4.885 1.00 0.00 N ATOM 447 CA LYS A 29 -2.597 7.505 3.758 1.00 0.00 C ATOM 448 C LYS A 29 -1.889 8.217 2.599 1.00 0.00 C ATOM 449 O LYS A 29 -2.122 7.905 1.445 1.00 0.00 O ATOM 450 CB LYS A 29 -3.750 8.360 4.305 1.00 0.00 C ATOM 451 CG LYS A 29 -4.580 7.531 5.289 1.00 0.00 C ATOM 452 CD LYS A 29 -5.096 8.436 6.411 1.00 0.00 C ATOM 453 CE LYS A 29 -5.979 7.621 7.358 1.00 0.00 C ATOM 454 NZ LYS A 29 -5.034 6.752 8.113 1.00 0.00 N ATOM 0 H LYS A 29 -1.658 8.025 5.620 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.979 6.554 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.355 9.246 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.379 8.708 3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.417 7.063 4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.973 6.727 5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.258 8.868 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.664 9.266 5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.541 8.270 8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.707 7.026 6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.394 6.603 9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.945 5.835 7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.102 7.211 8.159 1.00 0.00 H new ATOM 468 N TYR A 30 -1.006 9.157 2.888 1.00 0.00 N ATOM 469 CA TYR A 30 -0.275 9.853 1.777 1.00 0.00 C ATOM 470 C TYR A 30 0.785 8.918 1.167 1.00 0.00 C ATOM 471 O TYR A 30 1.093 9.026 -0.006 1.00 0.00 O ATOM 472 CB TYR A 30 0.397 11.091 2.392 1.00 0.00 C ATOM 473 CG TYR A 30 -0.663 12.062 2.853 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.581 12.585 1.936 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.727 12.440 4.201 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.564 13.486 2.363 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.710 13.342 4.629 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.629 13.863 3.710 1.00 0.00 C ATOM 479 OH TYR A 30 -3.597 14.751 4.132 1.00 0.00 O ATOM 0 H TYR A 30 -0.766 9.465 3.830 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.960 10.138 0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.026 10.797 3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.047 11.567 1.658 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.531 12.293 0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.019 12.036 4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.272 13.890 1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.759 13.635 5.667 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.502 14.905 5.095 1.00 0.00 H new ATOM 489 N VAL A 31 1.346 7.996 1.935 1.00 0.00 N ATOM 490 CA VAL A 31 2.375 7.074 1.339 1.00 0.00 C ATOM 491 C VAL A 31 1.702 6.070 0.378 1.00 0.00 C ATOM 492 O VAL A 31 2.289 5.680 -0.613 1.00 0.00 O ATOM 493 CB VAL A 31 3.097 6.369 2.519 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.250 5.228 3.096 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.432 5.804 2.022 1.00 0.00 C ATOM 0 H VAL A 31 1.140 7.847 2.923 1.00 0.00 H new ATOM 0 HA VAL A 31 3.105 7.622 0.744 1.00 0.00 H new ATOM 0 HB VAL A 31 3.260 7.103 3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.787 4.757 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.303 5.626 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.058 4.489 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.946 5.307 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.248 5.086 1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.053 6.616 1.644 1.00 0.00 H new ATOM 505 N ALA A 32 0.474 5.659 0.647 1.00 0.00 N ATOM 506 CA ALA A 32 -0.204 4.693 -0.291 1.00 0.00 C ATOM 507 C ALA A 32 -0.472 5.382 -1.637 1.00 0.00 C ATOM 508 O ALA A 32 -0.322 4.778 -2.683 1.00 0.00 O ATOM 509 CB ALA A 32 -1.528 4.281 0.372 1.00 0.00 C ATOM 0 H ALA A 32 -0.076 5.944 1.457 1.00 0.00 H new ATOM 0 HA ALA A 32 0.420 3.819 -0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.055 3.579 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.322 3.807 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.147 5.165 0.529 1.00 0.00 H new ATOM 515 N GLU A 33 -0.859 6.644 -1.626 1.00 0.00 N ATOM 516 CA GLU A 33 -1.120 7.353 -2.933 1.00 0.00 C ATOM 517 C GLU A 33 0.161 7.361 -3.776 1.00 0.00 C ATOM 518 O GLU A 33 0.134 7.045 -4.952 1.00 0.00 O ATOM 519 CB GLU A 33 -1.539 8.791 -2.587 1.00 0.00 C ATOM 520 CG GLU A 33 -3.058 8.857 -2.425 1.00 0.00 C ATOM 521 CD GLU A 33 -3.507 10.320 -2.398 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.909 11.114 -3.105 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.440 10.619 -1.672 1.00 0.00 O ATOM 0 H GLU A 33 -1.003 7.205 -0.787 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.900 6.853 -3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.051 9.112 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.217 9.474 -3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.545 8.332 -3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.358 8.357 -1.504 1.00 0.00 H new ATOM 530 N TYR A 34 1.287 7.694 -3.181 1.00 0.00 N ATOM 531 CA TYR A 34 2.571 7.688 -3.967 1.00 0.00 C ATOM 532 C TYR A 34 2.869 6.256 -4.428 1.00 0.00 C ATOM 533 O TYR A 34 3.291 6.036 -5.548 1.00 0.00 O ATOM 534 CB TYR A 34 3.676 8.196 -3.021 1.00 0.00 C ATOM 535 CG TYR A 34 5.035 8.203 -3.708 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.153 8.402 -5.098 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.189 8.030 -2.934 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.417 8.427 -5.697 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.450 8.050 -3.537 1.00 0.00 C ATOM 540 CZ TYR A 34 7.565 8.251 -4.917 1.00 0.00 C ATOM 541 OH TYR A 34 8.810 8.281 -5.511 1.00 0.00 O ATOM 0 H TYR A 34 1.374 7.966 -2.202 1.00 0.00 H new ATOM 0 HA TYR A 34 2.509 8.323 -4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.433 9.203 -2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.718 7.563 -2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.267 8.535 -5.701 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.105 7.881 -1.868 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.507 8.582 -6.762 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.337 7.910 -2.937 1.00 0.00 H new ATOM 0 HH TYR A 34 9.470 8.619 -4.870 1.00 0.00 H new ATOM 551 N ILE A 35 2.632 5.272 -3.579 1.00 0.00 N ATOM 552 CA ILE A 35 2.885 3.844 -3.996 1.00 0.00 C ATOM 553 C ILE A 35 2.042 3.532 -5.245 1.00 0.00 C ATOM 554 O ILE A 35 2.536 2.975 -6.206 1.00 0.00 O ATOM 555 CB ILE A 35 2.466 2.967 -2.794 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.456 3.190 -1.648 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.470 1.483 -3.172 1.00 0.00 C ATOM 558 CD1 ILE A 35 2.827 2.732 -0.332 1.00 0.00 C ATOM 0 H ILE A 35 2.280 5.393 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 35 3.928 3.658 -4.252 1.00 0.00 H new ATOM 0 HB ILE A 35 1.457 3.248 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.376 2.636 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.726 4.244 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.172 0.887 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.769 1.314 -3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.472 1.190 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.533 2.891 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.919 3.305 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.580 1.672 -0.396 1.00 0.00 H new ATOM 570 N VAL A 36 0.781 3.913 -5.248 1.00 0.00 N ATOM 571 CA VAL A 36 -0.070 3.655 -6.464 1.00 0.00 C ATOM 572 C VAL A 36 0.487 4.460 -7.647 1.00 0.00 C ATOM 573 O VAL A 36 0.552 3.968 -8.758 1.00 0.00 O ATOM 574 CB VAL A 36 -1.498 4.110 -6.111 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.421 3.937 -7.321 1.00 0.00 C ATOM 576 CG2 VAL A 36 -2.021 3.261 -4.951 1.00 0.00 C ATOM 0 H VAL A 36 0.310 4.384 -4.476 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.070 2.602 -6.747 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.479 5.162 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.428 4.262 -7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.050 4.538 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.443 2.888 -7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.032 3.578 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.033 2.211 -5.245 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.371 3.388 -4.085 1.00 0.00 H new ATOM 586 N LEU A 37 0.915 5.690 -7.418 1.00 0.00 N ATOM 587 CA LEU A 37 1.494 6.498 -8.555 1.00 0.00 C ATOM 588 C LEU A 37 2.722 5.760 -9.106 1.00 0.00 C ATOM 589 O LEU A 37 2.890 5.638 -10.305 1.00 0.00 O ATOM 590 CB LEU A 37 1.910 7.863 -7.982 1.00 0.00 C ATOM 591 CG LEU A 37 1.663 8.951 -9.029 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.274 9.556 -8.819 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.723 10.045 -8.886 1.00 0.00 C ATOM 0 H LEU A 37 0.890 6.161 -6.514 1.00 0.00 H new ATOM 0 HA LEU A 37 0.772 6.633 -9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.342 8.078 -7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.963 7.846 -7.701 1.00 0.00 H new ATOM 0 HG LEU A 37 1.722 8.516 -10.027 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.098 10.331 -9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.481 8.777 -8.920 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.214 9.992 -7.822 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.548 10.821 -9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.664 10.480 -7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.713 9.614 -9.036 1.00 0.00 H new ATOM 605 N LEU A 38 3.570 5.239 -8.236 1.00 0.00 N ATOM 606 CA LEU A 38 4.767 4.477 -8.735 1.00 0.00 C ATOM 607 C LEU A 38 4.277 3.232 -9.494 1.00 0.00 C ATOM 608 O LEU A 38 4.781 2.899 -10.549 1.00 0.00 O ATOM 609 CB LEU A 38 5.579 4.052 -7.499 1.00 0.00 C ATOM 610 CG LEU A 38 6.084 5.293 -6.761 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.176 4.994 -5.263 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.468 5.670 -7.291 1.00 0.00 C ATOM 0 H LEU A 38 3.486 5.308 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 38 5.379 5.081 -9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.960 3.449 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.421 3.430 -7.802 1.00 0.00 H new ATOM 0 HG LEU A 38 5.393 6.120 -6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.536 5.878 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.190 4.723 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.867 4.168 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.830 6.554 -6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.158 4.843 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.404 5.882 -8.358 1.00 0.00 H new ATOM 624 N ILE A 39 3.285 2.548 -8.958 1.00 0.00 N ATOM 625 CA ILE A 39 2.742 1.321 -9.650 1.00 0.00 C ATOM 626 C ILE A 39 2.247 1.695 -11.064 1.00 0.00 C ATOM 627 O ILE A 39 2.469 0.966 -12.014 1.00 0.00 O ATOM 628 CB ILE A 39 1.567 0.829 -8.770 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.122 0.268 -7.441 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.737 -0.241 -9.500 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.759 -1.114 -7.649 1.00 0.00 C ATOM 0 H ILE A 39 2.829 2.783 -8.076 1.00 0.00 H new ATOM 0 HA ILE A 39 3.499 0.546 -9.767 1.00 0.00 H new ATOM 0 HB ILE A 39 0.908 1.672 -8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.863 0.956 -7.033 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.318 0.195 -6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.081 -0.568 -8.858 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.331 0.179 -10.420 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.373 -1.093 -9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.141 -1.485 -6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.010 -1.806 -8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.579 -1.033 -8.363 1.00 0.00 H new ATOM 643 N VAL A 40 1.576 2.817 -11.205 1.00 0.00 N ATOM 644 CA VAL A 40 1.065 3.218 -12.568 1.00 0.00 C ATOM 645 C VAL A 40 2.232 3.510 -13.536 1.00 0.00 C ATOM 646 O VAL A 40 2.083 3.366 -14.736 1.00 0.00 O ATOM 647 CB VAL A 40 0.208 4.483 -12.365 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.365 4.945 -13.709 1.00 0.00 C ATOM 649 CG2 VAL A 40 -0.947 4.171 -11.403 1.00 0.00 C ATOM 0 H VAL A 40 1.360 3.467 -10.449 1.00 0.00 H new ATOM 0 HA VAL A 40 0.481 2.411 -13.010 1.00 0.00 H new ATOM 0 HB VAL A 40 0.832 5.273 -11.947 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.970 5.839 -13.559 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.452 5.170 -14.395 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.985 4.154 -14.131 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.553 5.066 -11.260 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.565 3.377 -11.822 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.544 3.848 -10.443 1.00 0.00 H new ATOM 659 N ASN A 41 3.383 3.921 -13.041 1.00 0.00 N ATOM 660 CA ASN A 41 4.530 4.215 -13.974 1.00 0.00 C ATOM 661 C ASN A 41 5.297 2.930 -14.343 1.00 0.00 C ATOM 662 O ASN A 41 5.867 2.843 -15.415 1.00 0.00 O ATOM 663 CB ASN A 41 5.454 5.193 -13.230 1.00 0.00 C ATOM 664 CG ASN A 41 4.665 6.453 -12.847 1.00 0.00 C ATOM 665 OD1 ASN A 41 3.922 6.980 -13.651 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.792 6.965 -11.646 1.00 0.00 N ATOM 0 H ASN A 41 3.577 4.064 -12.050 1.00 0.00 H new ATOM 0 HA ASN A 41 4.164 4.640 -14.909 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.859 4.719 -12.336 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.302 5.460 -13.861 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.268 7.802 -11.390 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.415 6.526 -10.968 1.00 0.00 H new ATOM 673 N GLY A 42 5.329 1.936 -13.477 1.00 0.00 N ATOM 674 CA GLY A 42 6.074 0.682 -13.807 1.00 0.00 C ATOM 675 C GLY A 42 7.400 0.673 -13.045 1.00 0.00 C ATOM 676 O GLY A 42 8.460 0.641 -13.642 1.00 0.00 O ATOM 0 H GLY A 42 4.873 1.944 -12.564 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.479 -0.191 -13.537 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.256 0.624 -14.880 1.00 0.00 H new ATOM 680 N GLY A 43 7.356 0.693 -11.728 1.00 0.00 N ATOM 681 CA GLY A 43 8.623 0.677 -10.942 1.00 0.00 C ATOM 682 C GLY A 43 9.144 -0.763 -10.738 1.00 0.00 C ATOM 683 O GLY A 43 10.174 -0.955 -10.122 1.00 0.00 O ATOM 0 H GLY A 43 6.500 0.720 -11.174 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.379 1.269 -11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.457 1.146 -9.972 1.00 0.00 H new ATOM 687 N THR A 44 8.459 -1.777 -11.244 1.00 0.00 N ATOM 688 CA THR A 44 8.927 -3.194 -11.082 1.00 0.00 C ATOM 689 C THR A 44 9.364 -3.498 -9.647 1.00 0.00 C ATOM 690 O THR A 44 10.324 -4.208 -9.437 1.00 0.00 O ATOM 691 CB THR A 44 10.109 -3.349 -12.036 1.00 0.00 C ATOM 692 OG1 THR A 44 10.937 -2.195 -11.979 1.00 0.00 O ATOM 693 CG2 THR A 44 9.582 -3.528 -13.460 1.00 0.00 C ATOM 0 H THR A 44 7.589 -1.675 -11.766 1.00 0.00 H new ATOM 0 HA THR A 44 8.118 -3.890 -11.304 1.00 0.00 H new ATOM 0 HB THR A 44 10.696 -4.220 -11.744 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.076 -1.938 -11.044 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.421 -3.639 -14.147 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.954 -4.418 -13.506 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.995 -2.655 -13.743 1.00 0.00 H new ATOM 701 N VAL A 45 8.669 -2.971 -8.665 1.00 0.00 N ATOM 702 CA VAL A 45 9.015 -3.212 -7.223 1.00 0.00 C ATOM 703 C VAL A 45 10.392 -2.625 -6.857 1.00 0.00 C ATOM 704 O VAL A 45 10.477 -1.756 -6.011 1.00 0.00 O ATOM 705 CB VAL A 45 8.990 -4.731 -6.999 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.229 -5.028 -5.515 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.624 -5.289 -7.409 1.00 0.00 C ATOM 0 H VAL A 45 7.857 -2.370 -8.805 1.00 0.00 H new ATOM 0 HA VAL A 45 8.292 -2.712 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 45 9.770 -5.198 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.212 -6.106 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.199 -4.631 -5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.446 -4.559 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.609 -6.367 -7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.845 -4.822 -6.807 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.445 -5.076 -8.463 1.00 0.00 H new ATOM 717 N GLU A 46 11.472 -3.084 -7.463 1.00 0.00 N ATOM 718 CA GLU A 46 12.823 -2.520 -7.097 1.00 0.00 C ATOM 719 C GLU A 46 12.833 -1.002 -7.316 1.00 0.00 C ATOM 720 O GLU A 46 13.317 -0.260 -6.480 1.00 0.00 O ATOM 721 CB GLU A 46 13.857 -3.198 -8.009 1.00 0.00 C ATOM 722 CG GLU A 46 15.268 -2.857 -7.525 1.00 0.00 C ATOM 723 CD GLU A 46 16.248 -3.923 -8.016 1.00 0.00 C ATOM 724 OE1 GLU A 46 15.980 -5.093 -7.796 1.00 0.00 O ATOM 725 OE2 GLU A 46 17.252 -3.552 -8.603 1.00 0.00 O ATOM 0 H GLU A 46 11.479 -3.809 -8.180 1.00 0.00 H new ATOM 0 HA GLU A 46 13.054 -2.707 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.710 -4.278 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.724 -2.864 -9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.564 -1.876 -7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.287 -2.804 -6.436 1.00 0.00 H new ATOM 732 N SER A 47 12.276 -0.528 -8.411 1.00 0.00 N ATOM 733 CA SER A 47 12.242 0.960 -8.625 1.00 0.00 C ATOM 734 C SER A 47 11.208 1.573 -7.668 1.00 0.00 C ATOM 735 O SER A 47 11.419 2.643 -7.129 1.00 0.00 O ATOM 736 CB SER A 47 11.844 1.207 -10.088 1.00 0.00 C ATOM 737 OG SER A 47 12.691 2.206 -10.642 1.00 0.00 O ATOM 0 H SER A 47 11.853 -1.091 -9.149 1.00 0.00 H new ATOM 0 HA SER A 47 13.211 1.418 -8.426 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.928 0.284 -10.661 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.803 1.524 -10.145 1.00 0.00 H new ATOM 0 HG SER A 47 12.441 2.365 -11.576 1.00 0.00 H new ATOM 743 N VAL A 48 10.099 0.893 -7.433 1.00 0.00 N ATOM 744 CA VAL A 48 9.078 1.450 -6.482 1.00 0.00 C ATOM 745 C VAL A 48 9.670 1.488 -5.068 1.00 0.00 C ATOM 746 O VAL A 48 9.545 2.475 -4.371 1.00 0.00 O ATOM 747 CB VAL A 48 7.859 0.506 -6.516 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.770 1.031 -5.576 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.295 0.437 -7.934 1.00 0.00 C ATOM 0 H VAL A 48 9.863 -0.007 -7.852 1.00 0.00 H new ATOM 0 HA VAL A 48 8.787 2.462 -6.764 1.00 0.00 H new ATOM 0 HB VAL A 48 8.175 -0.487 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.911 0.360 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.160 1.080 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.463 2.027 -5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.434 -0.231 -7.951 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.987 1.433 -8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.061 0.060 -8.612 1.00 0.00 H new ATOM 759 N VAL A 49 10.323 0.424 -4.639 1.00 0.00 N ATOM 760 CA VAL A 49 10.917 0.429 -3.253 1.00 0.00 C ATOM 761 C VAL A 49 11.951 1.558 -3.136 1.00 0.00 C ATOM 762 O VAL A 49 12.008 2.246 -2.134 1.00 0.00 O ATOM 763 CB VAL A 49 11.585 -0.945 -3.046 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.231 -1.005 -1.656 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.531 -2.054 -3.163 1.00 0.00 C ATOM 0 H VAL A 49 10.469 -0.431 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 49 10.154 0.600 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 49 12.351 -1.087 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.701 -1.978 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.984 -0.222 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.467 -0.858 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.006 -3.024 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.763 -1.907 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.075 -2.019 -4.152 1.00 0.00 H new ATOM 775 N ASP A 50 12.761 1.766 -4.154 1.00 0.00 N ATOM 776 CA ASP A 50 13.779 2.876 -4.080 1.00 0.00 C ATOM 777 C ASP A 50 13.079 4.223 -3.826 1.00 0.00 C ATOM 778 O ASP A 50 13.616 5.081 -3.149 1.00 0.00 O ATOM 779 CB ASP A 50 14.509 2.904 -5.432 1.00 0.00 C ATOM 780 CG ASP A 50 15.752 3.789 -5.324 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.622 3.461 -4.534 1.00 0.00 O ATOM 782 OD2 ASP A 50 15.812 4.781 -6.032 1.00 0.00 O ATOM 0 H ASP A 50 12.764 1.226 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 50 14.480 2.708 -3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.794 1.893 -5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.845 3.285 -6.208 1.00 0.00 H new ATOM 787 N GLU A 51 11.886 4.419 -4.355 1.00 0.00 N ATOM 788 CA GLU A 51 11.174 5.724 -4.116 1.00 0.00 C ATOM 789 C GLU A 51 10.662 5.784 -2.672 1.00 0.00 C ATOM 790 O GLU A 51 10.757 6.811 -2.026 1.00 0.00 O ATOM 791 CB GLU A 51 10.000 5.782 -5.107 1.00 0.00 C ATOM 792 CG GLU A 51 10.466 6.432 -6.412 1.00 0.00 C ATOM 793 CD GLU A 51 11.091 5.368 -7.316 1.00 0.00 C ATOM 794 OE1 GLU A 51 12.234 5.013 -7.077 1.00 0.00 O ATOM 795 OE2 GLU A 51 10.417 4.927 -8.232 1.00 0.00 O ATOM 0 H GLU A 51 11.383 3.745 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 51 11.844 6.571 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.625 4.777 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.176 6.352 -4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.623 6.904 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.192 7.217 -6.201 1.00 0.00 H new ATOM 802 N LEU A 52 10.142 4.693 -2.148 1.00 0.00 N ATOM 803 CA LEU A 52 9.659 4.720 -0.726 1.00 0.00 C ATOM 804 C LEU A 52 10.868 4.721 0.216 1.00 0.00 C ATOM 805 O LEU A 52 10.837 5.350 1.252 1.00 0.00 O ATOM 806 CB LEU A 52 8.804 3.454 -0.484 1.00 0.00 C ATOM 807 CG LEU A 52 7.384 3.584 -1.081 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.730 4.918 -0.691 1.00 0.00 C ATOM 809 CD2 LEU A 52 7.456 3.471 -2.602 1.00 0.00 C ATOM 0 H LEU A 52 10.033 3.802 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 52 9.063 5.613 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.303 2.591 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.730 3.267 0.587 1.00 0.00 H new ATOM 0 HG LEU A 52 6.771 2.778 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.733 4.976 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.655 4.983 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.337 5.743 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.454 3.563 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.089 4.266 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.877 2.503 -2.875 1.00 0.00 H new ATOM 821 N ALA A 53 11.940 4.036 -0.134 1.00 0.00 N ATOM 822 CA ALA A 53 13.145 4.042 0.766 1.00 0.00 C ATOM 823 C ALA A 53 13.786 5.439 0.763 1.00 0.00 C ATOM 824 O ALA A 53 14.265 5.902 1.782 1.00 0.00 O ATOM 825 CB ALA A 53 14.128 3.001 0.206 1.00 0.00 C ATOM 0 H ALA A 53 12.031 3.484 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 53 12.873 3.799 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.021 2.971 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.655 2.019 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.406 3.274 -0.812 1.00 0.00 H new ATOM 831 N SER A 54 13.794 6.123 -0.367 1.00 0.00 N ATOM 832 CA SER A 54 14.408 7.500 -0.399 1.00 0.00 C ATOM 833 C SER A 54 13.674 8.431 0.581 1.00 0.00 C ATOM 834 O SER A 54 14.289 9.264 1.220 1.00 0.00 O ATOM 835 CB SER A 54 14.256 8.022 -1.836 1.00 0.00 C ATOM 836 OG SER A 54 15.202 7.370 -2.675 1.00 0.00 O ATOM 0 H SER A 54 13.409 5.795 -1.253 1.00 0.00 H new ATOM 0 HA SER A 54 15.457 7.466 -0.104 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.244 7.837 -2.197 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.412 9.100 -1.862 1.00 0.00 H new ATOM 0 HG SER A 54 14.833 6.516 -2.982 1.00 0.00 H new ATOM 842 N LEU A 55 12.369 8.298 0.711 1.00 0.00 N ATOM 843 CA LEU A 55 11.619 9.188 1.664 1.00 0.00 C ATOM 844 C LEU A 55 11.409 8.471 3.007 1.00 0.00 C ATOM 845 O LEU A 55 11.545 9.067 4.059 1.00 0.00 O ATOM 846 CB LEU A 55 10.270 9.483 0.995 1.00 0.00 C ATOM 847 CG LEU A 55 10.451 10.570 -0.065 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.382 10.410 -1.148 1.00 0.00 C ATOM 849 CD2 LEU A 55 10.313 11.947 0.588 1.00 0.00 C ATOM 0 H LEU A 55 11.798 7.621 0.205 1.00 0.00 H new ATOM 0 HA LEU A 55 12.168 10.107 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.874 8.577 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.545 9.806 1.742 1.00 0.00 H new ATOM 0 HG LEU A 55 11.440 10.478 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.511 11.185 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.480 9.429 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.393 10.502 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.442 12.722 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.324 12.039 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.074 12.062 1.360 1.00 0.00 H new ATOM 861 N PHE A 56 11.090 7.197 2.980 1.00 0.00 N ATOM 862 CA PHE A 56 10.882 6.440 4.253 1.00 0.00 C ATOM 863 C PHE A 56 12.044 5.455 4.452 1.00 0.00 C ATOM 864 O PHE A 56 11.888 4.262 4.269 1.00 0.00 O ATOM 865 CB PHE A 56 9.556 5.680 4.081 1.00 0.00 C ATOM 866 CG PHE A 56 8.448 6.641 3.709 1.00 0.00 C ATOM 867 CD1 PHE A 56 7.977 7.565 4.649 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.898 6.608 2.422 1.00 0.00 C ATOM 869 CE1 PHE A 56 6.954 8.456 4.300 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.878 7.499 2.074 1.00 0.00 C ATOM 871 CZ PHE A 56 6.406 8.423 3.012 1.00 0.00 C ATOM 0 H PHE A 56 10.965 6.650 2.128 1.00 0.00 H new ATOM 0 HA PHE A 56 10.847 7.096 5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.662 4.919 3.308 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.303 5.162 5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.402 7.591 5.642 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.262 5.894 1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.588 9.168 5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.455 7.474 1.081 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.619 9.111 2.743 1.00 0.00 H new ATOM 881 N ASP A 57 13.210 5.942 4.829 1.00 0.00 N ATOM 882 CA ASP A 57 14.372 5.015 5.040 1.00 0.00 C ATOM 883 C ASP A 57 14.582 4.727 6.539 1.00 0.00 C ATOM 884 O ASP A 57 15.687 4.444 6.962 1.00 0.00 O ATOM 885 CB ASP A 57 15.593 5.739 4.458 1.00 0.00 C ATOM 886 CG ASP A 57 16.522 4.721 3.795 1.00 0.00 C ATOM 887 OD1 ASP A 57 17.312 4.120 4.503 1.00 0.00 O ATOM 888 OD2 ASP A 57 16.428 4.559 2.589 1.00 0.00 O ATOM 0 H ASP A 57 13.404 6.929 4.997 1.00 0.00 H new ATOM 0 HA ASP A 57 14.203 4.053 4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.274 6.484 3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.124 6.271 5.247 1.00 0.00 H new ATOM 893 N SER A 58 13.539 4.782 7.347 1.00 0.00 N ATOM 894 CA SER A 58 13.711 4.491 8.812 1.00 0.00 C ATOM 895 C SER A 58 13.349 3.024 9.115 1.00 0.00 C ATOM 896 O SER A 58 13.952 2.405 9.971 1.00 0.00 O ATOM 897 CB SER A 58 12.763 5.443 9.548 1.00 0.00 C ATOM 898 OG SER A 58 11.427 5.192 9.131 1.00 0.00 O ATOM 0 H SER A 58 12.589 5.013 7.058 1.00 0.00 H new ATOM 0 HA SER A 58 14.744 4.637 9.129 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.852 5.303 10.625 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.033 6.478 9.338 1.00 0.00 H new ATOM 0 HG SER A 58 10.818 5.799 9.602 1.00 0.00 H new ATOM 904 N VAL A 59 12.378 2.459 8.424 1.00 0.00 N ATOM 905 CA VAL A 59 12.005 1.027 8.691 1.00 0.00 C ATOM 906 C VAL A 59 12.781 0.089 7.750 1.00 0.00 C ATOM 907 O VAL A 59 13.223 0.492 6.692 1.00 0.00 O ATOM 908 CB VAL A 59 10.482 0.914 8.464 1.00 0.00 C ATOM 909 CG1 VAL A 59 10.120 1.184 6.995 1.00 0.00 C ATOM 910 CG2 VAL A 59 10.023 -0.495 8.843 1.00 0.00 C ATOM 0 H VAL A 59 11.834 2.922 7.696 1.00 0.00 H new ATOM 0 HA VAL A 59 12.260 0.734 9.709 1.00 0.00 H new ATOM 0 HB VAL A 59 9.983 1.658 9.085 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.041 1.098 6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.439 2.189 6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.622 0.457 6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.948 -0.582 8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.541 -1.226 8.222 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.252 -0.682 9.892 1.00 0.00 H new ATOM 920 N SER A 60 12.958 -1.159 8.134 1.00 0.00 N ATOM 921 CA SER A 60 13.724 -2.121 7.254 1.00 0.00 C ATOM 922 C SER A 60 13.144 -2.146 5.827 1.00 0.00 C ATOM 923 O SER A 60 11.948 -2.044 5.638 1.00 0.00 O ATOM 924 CB SER A 60 13.586 -3.509 7.898 1.00 0.00 C ATOM 925 OG SER A 60 13.802 -3.400 9.298 1.00 0.00 O ATOM 0 H SER A 60 12.611 -1.553 9.008 1.00 0.00 H new ATOM 0 HA SER A 60 14.768 -1.817 7.174 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.594 -3.917 7.702 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.307 -4.199 7.460 1.00 0.00 H new ATOM 0 HG SER A 60 13.713 -4.284 9.712 1.00 0.00 H new ATOM 931 N ARG A 61 13.987 -2.289 4.819 1.00 0.00 N ATOM 932 CA ARG A 61 13.476 -2.326 3.397 1.00 0.00 C ATOM 933 C ARG A 61 12.371 -3.385 3.237 1.00 0.00 C ATOM 934 O ARG A 61 11.449 -3.206 2.463 1.00 0.00 O ATOM 935 CB ARG A 61 14.676 -2.693 2.506 1.00 0.00 C ATOM 936 CG ARG A 61 15.365 -1.413 2.028 1.00 0.00 C ATOM 937 CD ARG A 61 16.117 -0.771 3.195 1.00 0.00 C ATOM 938 NE ARG A 61 17.165 0.074 2.559 1.00 0.00 N ATOM 939 CZ ARG A 61 18.425 -0.138 2.826 1.00 0.00 C ATOM 940 NH1 ARG A 61 18.906 -1.350 2.783 1.00 0.00 N ATOM 941 NH2 ARG A 61 19.204 0.863 3.133 1.00 0.00 N ATOM 0 H ARG A 61 14.998 -2.381 4.917 1.00 0.00 H new ATOM 0 HA ARG A 61 13.049 -1.362 3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.380 -3.312 3.062 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.342 -3.280 1.651 1.00 0.00 H new ATOM 0 HG2 ARG A 61 16.057 -1.641 1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.627 -0.717 1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.449 -0.172 3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.559 -1.527 3.843 1.00 0.00 H new ATOM 0 HE ARG A 61 16.898 0.818 1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.297 -2.132 2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.891 -1.516 2.992 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.828 1.811 3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.189 0.698 3.342 1.00 0.00 H new ATOM 955 N ASP A 62 12.452 -4.487 3.957 1.00 0.00 N ATOM 956 CA ASP A 62 11.386 -5.549 3.821 1.00 0.00 C ATOM 957 C ASP A 62 9.995 -4.956 4.099 1.00 0.00 C ATOM 958 O ASP A 62 9.025 -5.328 3.464 1.00 0.00 O ATOM 959 CB ASP A 62 11.710 -6.638 4.856 1.00 0.00 C ATOM 960 CG ASP A 62 11.163 -7.982 4.371 1.00 0.00 C ATOM 961 OD1 ASP A 62 9.961 -8.076 4.180 1.00 0.00 O ATOM 962 OD2 ASP A 62 11.954 -8.894 4.198 1.00 0.00 O ATOM 0 H ASP A 62 13.196 -4.697 4.623 1.00 0.00 H new ATOM 0 HA ASP A 62 11.374 -5.956 2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.788 -6.704 5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.271 -6.381 5.820 1.00 0.00 H new ATOM 967 N THR A 63 9.884 -4.035 5.035 1.00 0.00 N ATOM 968 CA THR A 63 8.533 -3.430 5.324 1.00 0.00 C ATOM 969 C THR A 63 8.075 -2.597 4.118 1.00 0.00 C ATOM 970 O THR A 63 6.923 -2.652 3.729 1.00 0.00 O ATOM 971 CB THR A 63 8.699 -2.539 6.571 1.00 0.00 C ATOM 972 OG1 THR A 63 9.097 -3.343 7.676 1.00 0.00 O ATOM 973 CG2 THR A 63 7.371 -1.851 6.897 1.00 0.00 C ATOM 0 H THR A 63 10.654 -3.680 5.603 1.00 0.00 H new ATOM 0 HA THR A 63 7.780 -4.198 5.503 1.00 0.00 H new ATOM 0 HB THR A 63 9.458 -1.782 6.374 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.759 -2.948 8.507 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.494 -1.223 7.779 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.064 -1.235 6.052 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.609 -2.605 7.092 1.00 0.00 H new ATOM 981 N LEU A 64 8.965 -1.840 3.513 1.00 0.00 N ATOM 982 CA LEU A 64 8.551 -1.024 2.318 1.00 0.00 C ATOM 983 C LEU A 64 8.267 -1.969 1.146 1.00 0.00 C ATOM 984 O LEU A 64 7.282 -1.819 0.448 1.00 0.00 O ATOM 985 CB LEU A 64 9.726 -0.086 1.983 1.00 0.00 C ATOM 986 CG LEU A 64 10.086 0.767 3.215 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.530 0.481 3.640 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.951 2.255 2.874 1.00 0.00 C ATOM 0 H LEU A 64 9.943 -1.751 3.787 1.00 0.00 H new ATOM 0 HA LEU A 64 7.650 -0.443 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.591 -0.671 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.459 0.561 1.148 1.00 0.00 H new ATOM 0 HG LEU A 64 9.407 0.515 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.780 1.087 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.633 -0.575 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.206 0.728 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.207 2.853 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.626 2.503 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.924 2.468 2.576 1.00 0.00 H new ATOM 1000 N ALA A 65 9.113 -2.956 0.935 1.00 0.00 N ATOM 1001 CA ALA A 65 8.862 -3.923 -0.194 1.00 0.00 C ATOM 1002 C ALA A 65 7.523 -4.649 0.029 1.00 0.00 C ATOM 1003 O ALA A 65 6.816 -4.945 -0.916 1.00 0.00 O ATOM 1004 CB ALA A 65 10.020 -4.933 -0.182 1.00 0.00 C ATOM 0 H ALA A 65 9.954 -3.134 1.485 1.00 0.00 H new ATOM 0 HA ALA A 65 8.809 -3.405 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.881 -5.656 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.963 -4.407 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.039 -5.454 0.775 1.00 0.00 H new ATOM 1010 N ASN A 66 7.162 -4.937 1.268 1.00 0.00 N ATOM 1011 CA ASN A 66 5.854 -5.645 1.516 1.00 0.00 C ATOM 1012 C ASN A 66 4.690 -4.793 0.989 1.00 0.00 C ATOM 1013 O ASN A 66 3.792 -5.305 0.346 1.00 0.00 O ATOM 1014 CB ASN A 66 5.727 -5.833 3.038 1.00 0.00 C ATOM 1015 CG ASN A 66 4.923 -7.107 3.330 1.00 0.00 C ATOM 1016 OD1 ASN A 66 3.715 -7.110 3.212 1.00 0.00 O ATOM 1017 ND2 ASN A 66 5.543 -8.198 3.709 1.00 0.00 N ATOM 0 H ASN A 66 7.706 -4.717 2.102 1.00 0.00 H new ATOM 0 HA ASN A 66 5.825 -6.606 1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.716 -5.903 3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.233 -4.969 3.482 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.010 -9.046 3.904 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.558 -8.199 3.809 1.00 0.00 H new ATOM 1024 N VAL A 67 4.698 -3.498 1.240 1.00 0.00 N ATOM 1025 CA VAL A 67 3.574 -2.639 0.720 1.00 0.00 C ATOM 1026 C VAL A 67 3.676 -2.526 -0.814 1.00 0.00 C ATOM 1027 O VAL A 67 2.671 -2.500 -1.501 1.00 0.00 O ATOM 1028 CB VAL A 67 3.716 -1.260 1.387 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.612 -0.326 0.882 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.589 -1.418 2.906 1.00 0.00 C ATOM 0 H VAL A 67 5.417 -3.007 1.771 1.00 0.00 H new ATOM 0 HA VAL A 67 2.600 -3.070 0.953 1.00 0.00 H new ATOM 0 HB VAL A 67 4.689 -0.837 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.716 0.650 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.696 -0.215 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.638 -0.748 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.689 -0.443 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.614 -1.842 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.373 -2.082 3.270 1.00 0.00 H new ATOM 1040 N VAL A 68 4.875 -2.478 -1.361 1.00 0.00 N ATOM 1041 CA VAL A 68 5.007 -2.395 -2.859 1.00 0.00 C ATOM 1042 C VAL A 68 4.613 -3.748 -3.487 1.00 0.00 C ATOM 1043 O VAL A 68 4.036 -3.785 -4.558 1.00 0.00 O ATOM 1044 CB VAL A 68 6.487 -2.063 -3.146 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.758 -2.097 -4.652 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.803 -0.667 -2.606 1.00 0.00 C ATOM 0 H VAL A 68 5.755 -2.492 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 68 4.353 -1.634 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 68 7.119 -2.805 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.806 -1.861 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.536 -3.091 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.126 -1.363 -5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.847 -0.427 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.162 0.066 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.625 -0.644 -1.531 1.00 0.00 H new ATOM 1056 N GLN A 69 4.910 -4.859 -2.834 1.00 0.00 N ATOM 1057 CA GLN A 69 4.531 -6.190 -3.429 1.00 0.00 C ATOM 1058 C GLN A 69 3.006 -6.363 -3.407 1.00 0.00 C ATOM 1059 O GLN A 69 2.430 -6.868 -4.352 1.00 0.00 O ATOM 1060 CB GLN A 69 5.204 -7.272 -2.570 1.00 0.00 C ATOM 1061 CG GLN A 69 6.667 -7.422 -2.991 1.00 0.00 C ATOM 1062 CD GLN A 69 7.104 -8.881 -2.814 1.00 0.00 C ATOM 1063 OE1 GLN A 69 6.819 -9.488 -1.800 1.00 0.00 O ATOM 1064 NE2 GLN A 69 7.790 -9.479 -3.758 1.00 0.00 N ATOM 0 H GLN A 69 5.388 -4.901 -1.934 1.00 0.00 H new ATOM 0 HA GLN A 69 4.857 -6.262 -4.467 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.144 -7.003 -1.515 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.682 -8.221 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.790 -7.118 -4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.298 -6.767 -2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.032 -8.974 -4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.082 -10.449 -3.640 1.00 0.00 H new ATOM 1073 N THR A 70 2.343 -5.947 -2.347 1.00 0.00 N ATOM 1074 CA THR A 70 0.844 -6.100 -2.312 1.00 0.00 C ATOM 1075 C THR A 70 0.190 -5.216 -3.391 1.00 0.00 C ATOM 1076 O THR A 70 -0.851 -5.563 -3.918 1.00 0.00 O ATOM 1077 CB THR A 70 0.365 -5.703 -0.901 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.041 -5.885 -0.817 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.705 -4.241 -0.611 1.00 0.00 C ATOM 0 H THR A 70 2.762 -5.518 -1.522 1.00 0.00 H new ATOM 0 HA THR A 70 0.557 -7.130 -2.523 1.00 0.00 H new ATOM 0 HB THR A 70 0.869 -6.332 -0.167 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.350 -5.635 0.079 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.360 -3.979 0.389 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.784 -4.100 -0.671 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.214 -3.601 -1.344 1.00 0.00 H new ATOM 1087 N ALA A 71 0.785 -4.087 -3.739 1.00 0.00 N ATOM 1088 CA ALA A 71 0.161 -3.225 -4.806 1.00 0.00 C ATOM 1089 C ALA A 71 0.171 -3.986 -6.139 1.00 0.00 C ATOM 1090 O ALA A 71 -0.798 -3.959 -6.875 1.00 0.00 O ATOM 1091 CB ALA A 71 1.006 -1.945 -4.917 1.00 0.00 C ATOM 0 H ALA A 71 1.655 -3.733 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.871 -2.975 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.583 -1.295 -5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.006 -1.425 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.029 -2.207 -5.188 1.00 0.00 H new ATOM 1097 N PHE A 72 1.251 -4.680 -6.455 1.00 0.00 N ATOM 1098 CA PHE A 72 1.279 -5.452 -7.747 1.00 0.00 C ATOM 1099 C PHE A 72 0.293 -6.620 -7.646 1.00 0.00 C ATOM 1100 O PHE A 72 -0.495 -6.848 -8.546 1.00 0.00 O ATOM 1101 CB PHE A 72 2.714 -5.966 -7.929 1.00 0.00 C ATOM 1102 CG PHE A 72 3.612 -4.802 -8.264 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.465 -4.138 -9.488 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.582 -4.379 -7.350 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.291 -3.052 -9.797 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.405 -3.292 -7.658 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.261 -2.630 -8.881 1.00 0.00 C ATOM 0 H PHE A 72 2.095 -4.744 -5.886 1.00 0.00 H new ATOM 0 HA PHE A 72 0.991 -4.835 -8.598 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.057 -6.456 -7.018 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.750 -6.710 -8.724 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.715 -4.464 -10.193 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.695 -4.892 -6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.180 -2.540 -10.741 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.152 -2.963 -6.951 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.899 -1.792 -9.119 1.00 0.00 H new ATOM 1117 N PHE A 73 0.307 -7.348 -6.545 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.670 -8.481 -6.398 1.00 0.00 C ATOM 1119 C PHE A 73 -2.095 -7.907 -6.367 1.00 0.00 C ATOM 1120 O PHE A 73 -3.002 -8.461 -6.959 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.348 -9.184 -5.069 1.00 0.00 C ATOM 1122 CG PHE A 73 0.826 -10.112 -5.262 1.00 0.00 C ATOM 1123 CD1 PHE A 73 0.731 -11.186 -6.155 1.00 0.00 C ATOM 1124 CD2 PHE A 73 2.012 -9.898 -4.549 1.00 0.00 C ATOM 1125 CE1 PHE A 73 1.821 -12.046 -6.333 1.00 0.00 C ATOM 1126 CE2 PHE A 73 3.102 -10.758 -4.727 1.00 0.00 C ATOM 1127 CZ PHE A 73 3.006 -11.832 -5.620 1.00 0.00 C ATOM 0 H PHE A 73 0.940 -7.209 -5.758 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.598 -9.186 -7.226 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.119 -8.445 -4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.216 -9.745 -4.723 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.183 -11.351 -6.706 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.086 -9.069 -3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.747 -12.875 -7.021 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.016 -10.593 -4.176 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.847 -12.496 -5.759 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.299 -6.786 -5.693 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.679 -6.183 -5.654 1.00 0.00 C ATOM 1139 C ALA A 74 -4.131 -5.840 -7.080 1.00 0.00 C ATOM 1140 O ALA A 74 -5.277 -6.047 -7.434 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.585 -4.904 -4.805 1.00 0.00 C ATOM 0 H ALA A 74 -1.583 -6.273 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.403 -6.877 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.566 -4.432 -4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.247 -5.158 -3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.876 -4.215 -5.263 1.00 0.00 H new ATOM 1147 N LEU A 75 -3.243 -5.323 -7.910 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.653 -4.983 -9.325 1.00 0.00 C ATOM 1149 C LEU A 75 -4.250 -6.220 -10.019 1.00 0.00 C ATOM 1150 O LEU A 75 -5.176 -6.103 -10.800 1.00 0.00 O ATOM 1151 CB LEU A 75 -2.389 -4.519 -10.071 1.00 0.00 C ATOM 1152 CG LEU A 75 -2.381 -2.991 -10.159 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.976 -2.507 -10.528 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -3.377 -2.540 -11.234 1.00 0.00 C ATOM 0 H LEU A 75 -2.270 -5.124 -7.677 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.411 -4.200 -9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.497 -4.869 -9.550 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.364 -4.952 -11.071 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.667 -2.568 -9.196 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.971 -1.419 -10.591 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.268 -2.830 -9.765 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.688 -2.927 -11.492 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.374 -1.452 -11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.089 -2.962 -12.197 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.377 -2.885 -10.971 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.741 -7.406 -9.737 1.00 0.00 N ATOM 1167 CA GLU A 76 -4.316 -8.637 -10.393 1.00 0.00 C ATOM 1168 C GLU A 76 -5.796 -8.765 -10.017 1.00 0.00 C ATOM 1169 O GLU A 76 -6.645 -8.923 -10.876 1.00 0.00 O ATOM 1170 CB GLU A 76 -3.522 -9.842 -9.863 1.00 0.00 C ATOM 1171 CG GLU A 76 -2.186 -9.937 -10.603 1.00 0.00 C ATOM 1172 CD GLU A 76 -1.428 -11.180 -10.131 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -0.760 -11.091 -9.113 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -1.527 -12.198 -10.796 1.00 0.00 O ATOM 0 H GLU A 76 -2.967 -7.573 -9.094 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.244 -8.582 -11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.350 -9.735 -8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.094 -10.759 -10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.357 -9.989 -11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.591 -9.043 -10.417 1.00 0.00 H new ATOM 1181 N ALA A 77 -6.117 -8.669 -8.745 1.00 0.00 N ATOM 1182 CA ALA A 77 -7.563 -8.755 -8.338 1.00 0.00 C ATOM 1183 C ALA A 77 -8.318 -7.561 -8.938 1.00 0.00 C ATOM 1184 O ALA A 77 -9.432 -7.700 -9.407 1.00 0.00 O ATOM 1185 CB ALA A 77 -7.605 -8.703 -6.803 1.00 0.00 C ATOM 0 H ALA A 77 -5.454 -8.537 -7.981 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.030 -9.673 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.640 -8.763 -6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.041 -9.542 -6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.164 -7.767 -6.458 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.711 -6.387 -8.948 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.409 -5.190 -9.551 1.00 0.00 C ATOM 1193 C LEU A 78 -8.807 -5.497 -11.007 1.00 0.00 C ATOM 1194 O LEU A 78 -9.834 -5.042 -11.477 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.413 -4.005 -9.514 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.082 -2.768 -8.896 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.305 -2.364 -9.726 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.516 -3.078 -7.455 1.00 0.00 C ATOM 0 H LEU A 78 -6.780 -6.207 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.314 -4.948 -8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.532 -4.279 -8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.071 -3.776 -10.523 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.368 -1.945 -8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.773 -1.486 -9.281 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.993 -2.132 -10.744 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.020 -3.186 -9.744 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.990 -2.198 -7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.224 -3.907 -7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.642 -3.349 -6.862 1.00 0.00 H new ATOM 1210 N GLN A 79 -8.016 -6.281 -11.725 1.00 0.00 N ATOM 1211 CA GLN A 79 -8.387 -6.614 -13.141 1.00 0.00 C ATOM 1212 C GLN A 79 -9.027 -8.016 -13.224 1.00 0.00 C ATOM 1213 O GLN A 79 -8.975 -8.653 -14.260 1.00 0.00 O ATOM 1214 CB GLN A 79 -7.073 -6.588 -13.933 1.00 0.00 C ATOM 1215 CG GLN A 79 -6.670 -5.140 -14.217 1.00 0.00 C ATOM 1216 CD GLN A 79 -5.593 -5.114 -15.308 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -5.831 -5.548 -16.417 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -4.407 -4.620 -15.045 1.00 0.00 N ATOM 0 H GLN A 79 -7.145 -6.695 -11.393 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.115 -5.906 -13.536 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.287 -7.090 -13.369 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.191 -7.133 -14.870 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.540 -4.565 -14.536 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.293 -4.671 -13.308 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.202 -4.254 -14.115 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.690 -4.602 -15.770 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.632 -8.510 -12.155 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.260 -9.866 -12.211 1.00 0.00 C ATOM 1229 C GLN A 80 -11.679 -9.818 -11.625 1.00 0.00 C ATOM 1230 O GLN A 80 -12.643 -10.123 -12.303 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.355 -10.758 -11.359 1.00 0.00 C ATOM 1232 CG GLN A 80 -9.192 -12.122 -12.036 1.00 0.00 C ATOM 1233 CD GLN A 80 -9.088 -13.217 -10.968 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -9.781 -14.212 -11.038 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -8.247 -13.080 -9.971 1.00 0.00 N ATOM 0 H GLN A 80 -9.713 -8.031 -11.258 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.352 -10.237 -13.232 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.381 -10.287 -11.229 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.783 -10.883 -10.365 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.041 -12.318 -12.691 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.300 -12.124 -12.662 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.663 -12.246 -9.908 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.177 -13.807 -9.259 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.819 -9.436 -10.373 1.00 0.00 N ATOM 1245 CA GLY A 81 -13.184 -9.372 -9.758 1.00 0.00 C ATOM 1246 C GLY A 81 -13.078 -9.327 -8.222 1.00 0.00 C ATOM 1247 O GLY A 81 -13.357 -10.303 -7.551 1.00 0.00 O ATOM 0 H GLY A 81 -11.052 -9.168 -9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.712 -8.489 -10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.769 -10.240 -10.063 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.680 -8.201 -7.659 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.563 -8.108 -6.173 1.00 0.00 C ATOM 1253 C GLU A 82 -13.122 -6.762 -5.682 1.00 0.00 C ATOM 1254 O GLU A 82 -13.791 -6.063 -6.419 1.00 0.00 O ATOM 1255 CB GLU A 82 -11.063 -8.204 -5.887 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.830 -9.070 -4.647 1.00 0.00 C ATOM 1257 CD GLU A 82 -10.558 -10.514 -5.076 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -11.459 -11.128 -5.624 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -9.454 -10.980 -4.849 1.00 0.00 O ATOM 0 H GLU A 82 -12.434 -7.352 -8.167 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.125 -8.891 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.546 -8.634 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.648 -7.208 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.986 -8.685 -4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.702 -9.032 -3.994 1.00 0.00 H new ATOM 1266 N SER A 83 -12.857 -6.391 -4.444 1.00 0.00 N ATOM 1267 CA SER A 83 -13.381 -5.091 -3.924 1.00 0.00 C ATOM 1268 C SER A 83 -12.367 -4.450 -2.963 1.00 0.00 C ATOM 1269 O SER A 83 -11.661 -5.142 -2.252 1.00 0.00 O ATOM 1270 CB SER A 83 -14.668 -5.453 -3.183 1.00 0.00 C ATOM 1271 OG SER A 83 -15.539 -6.148 -4.064 1.00 0.00 O ATOM 0 H SER A 83 -12.304 -6.933 -3.780 1.00 0.00 H new ATOM 0 HA SER A 83 -13.557 -4.369 -4.722 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.440 -6.073 -2.316 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.153 -4.550 -2.811 1.00 0.00 H new ATOM 0 HG SER A 83 -16.364 -6.382 -3.590 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.285 -3.134 -2.934 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.306 -2.466 -2.009 1.00 0.00 C ATOM 1279 C ALA A 84 -12.008 -1.957 -0.733 1.00 0.00 C ATOM 1280 O ALA A 84 -11.437 -1.998 0.340 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.709 -1.294 -2.805 1.00 0.00 C ATOM 0 H ALA A 84 -12.847 -2.502 -3.504 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.535 -3.162 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.985 -0.764 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.212 -1.676 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.505 -0.610 -3.098 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.236 -1.476 -0.829 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.940 -0.968 0.408 1.00 0.00 C ATOM 1289 C GLU A 85 -14.014 -2.075 1.472 1.00 0.00 C ATOM 1290 O GLU A 85 -13.823 -1.821 2.647 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.356 -0.557 -0.021 1.00 0.00 C ATOM 1292 CG GLU A 85 -16.080 0.092 1.160 1.00 0.00 C ATOM 1293 CD GLU A 85 -17.458 0.581 0.711 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -18.274 -0.252 0.357 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -17.674 1.783 0.729 1.00 0.00 O ATOM 0 H GLU A 85 -13.773 -1.413 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.401 -0.125 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.306 0.140 -0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.910 -1.430 -0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.185 -0.625 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.494 0.927 1.544 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.286 -3.299 1.074 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.365 -4.416 2.089 1.00 0.00 C ATOM 1304 C ASN A 86 -13.034 -4.539 2.849 1.00 0.00 C ATOM 1305 O ASN A 86 -13.024 -4.814 4.035 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.646 -5.709 1.306 1.00 0.00 C ATOM 1307 CG ASN A 86 -16.144 -5.800 0.991 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.956 -5.238 1.699 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.554 -6.489 -0.046 1.00 0.00 N ATOM 0 H ASN A 86 -14.455 -3.575 0.107 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.149 -4.222 2.821 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.068 -5.720 0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.333 -6.575 1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.550 -6.551 -0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.877 -6.963 -0.644 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.911 -4.329 2.188 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.596 -4.433 2.915 1.00 0.00 C ATOM 1318 C ILE A 87 -10.518 -3.343 4.002 1.00 0.00 C ATOM 1319 O ILE A 87 -9.990 -3.577 5.074 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.483 -4.239 1.859 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.535 -5.377 0.821 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -8.109 -4.244 2.540 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -9.368 -6.738 1.510 1.00 0.00 C ATOM 0 H ILE A 87 -11.848 -4.095 1.197 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.486 -5.399 3.408 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.640 -3.283 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.484 -5.347 0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.748 -5.238 0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.330 -4.107 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.060 -3.433 3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.959 -5.196 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.407 -7.531 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.407 -6.770 2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.171 -6.881 2.233 1.00 0.00 H new ATOM 1335 N VAL A 88 -11.040 -2.156 3.746 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.981 -1.074 4.798 1.00 0.00 C ATOM 1337 C VAL A 88 -11.707 -1.539 6.072 1.00 0.00 C ATOM 1338 O VAL A 88 -11.269 -1.255 7.171 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.672 0.171 4.211 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.648 1.309 5.235 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.927 0.617 2.953 1.00 0.00 C ATOM 0 H VAL A 88 -11.496 -1.893 2.872 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.949 -0.848 5.066 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.705 -0.075 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.138 2.187 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.174 0.997 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.615 1.554 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.414 1.498 2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.895 0.859 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.940 -0.188 2.218 1.00 0.00 H new ATOM 1351 N SER A 89 -12.808 -2.256 5.942 1.00 0.00 N ATOM 1352 CA SER A 89 -13.539 -2.734 7.176 1.00 0.00 C ATOM 1353 C SER A 89 -12.573 -3.529 8.070 1.00 0.00 C ATOM 1354 O SER A 89 -12.567 -3.370 9.277 1.00 0.00 O ATOM 1355 CB SER A 89 -14.682 -3.641 6.694 1.00 0.00 C ATOM 1356 OG SER A 89 -14.136 -4.844 6.170 1.00 0.00 O ATOM 0 H SER A 89 -13.227 -2.528 5.053 1.00 0.00 H new ATOM 0 HA SER A 89 -13.928 -1.897 7.756 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.358 -3.864 7.520 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.269 -3.131 5.930 1.00 0.00 H new ATOM 0 HG SER A 89 -14.133 -4.802 5.191 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.741 -4.367 7.484 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.759 -5.144 8.322 1.00 0.00 C ATOM 1364 C LYS A 90 -9.709 -4.189 8.912 1.00 0.00 C ATOM 1365 O LYS A 90 -9.268 -4.373 10.030 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.090 -6.168 7.392 1.00 0.00 C ATOM 1367 CG LYS A 90 -11.139 -7.159 6.885 1.00 0.00 C ATOM 1368 CD LYS A 90 -10.779 -7.604 5.465 1.00 0.00 C ATOM 1369 CE LYS A 90 -11.692 -8.756 5.043 1.00 0.00 C ATOM 1370 NZ LYS A 90 -12.012 -8.489 3.613 1.00 0.00 N ATOM 0 H LYS A 90 -11.698 -4.545 6.481 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.257 -5.646 9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.619 -5.658 6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.301 -6.698 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.187 -8.024 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.126 -6.696 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.886 -6.769 4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.736 -7.919 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.195 -9.718 5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.596 -8.786 5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.740 -9.158 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.366 -7.516 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.154 -8.606 3.037 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.314 -3.161 8.182 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.299 -2.203 8.744 1.00 0.00 C ATOM 1386 C ILE A 91 -8.944 -1.370 9.862 1.00 0.00 C ATOM 1387 O ILE A 91 -8.320 -1.103 10.872 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.838 -1.302 7.578 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.193 -2.160 6.475 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.815 -0.282 8.083 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.029 -2.977 7.052 1.00 0.00 C ATOM 0 H ILE A 91 -9.644 -2.949 7.241 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.446 -2.727 9.174 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.705 -0.780 7.173 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.937 -2.829 6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.833 -1.520 5.670 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.493 0.351 7.256 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.269 0.336 8.857 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.953 -0.805 8.496 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.581 -3.580 6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.279 -2.301 7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.400 -3.631 7.841 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.189 -0.969 9.702 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.851 -0.165 10.789 1.00 0.00 C ATOM 1405 C ARG A 92 -10.932 -1.001 12.073 1.00 0.00 C ATOM 1406 O ARG A 92 -10.725 -0.489 13.158 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.261 0.191 10.291 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.805 1.373 11.097 1.00 0.00 C ATOM 1409 CD ARG A 92 -12.246 2.679 10.528 1.00 0.00 C ATOM 1410 NE ARG A 92 -13.303 3.182 9.608 1.00 0.00 N ATOM 1411 CZ ARG A 92 -13.925 4.297 9.876 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -14.668 4.389 10.946 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -13.805 5.320 9.076 1.00 0.00 N ATOM 0 H ARG A 92 -10.766 -1.159 8.883 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.285 0.739 11.012 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.231 0.443 9.231 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.923 -0.669 10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -13.894 1.383 11.057 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.525 1.271 12.146 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.038 3.398 11.321 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.309 2.509 9.998 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.541 2.655 8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.762 3.589 11.572 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.154 5.261 11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.225 5.249 8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.292 6.192 9.286 1.00 0.00 H new ATOM 1427 N MET A 93 -11.210 -2.285 11.965 1.00 0.00 N ATOM 1428 CA MET A 93 -11.273 -3.133 13.207 1.00 0.00 C ATOM 1429 C MET A 93 -9.853 -3.359 13.740 1.00 0.00 C ATOM 1430 O MET A 93 -9.624 -3.316 14.935 1.00 0.00 O ATOM 1431 CB MET A 93 -11.916 -4.470 12.805 1.00 0.00 C ATOM 1432 CG MET A 93 -12.678 -5.049 13.998 1.00 0.00 C ATOM 1433 SD MET A 93 -13.137 -6.764 13.646 1.00 0.00 S ATOM 1434 CE MET A 93 -12.318 -7.516 15.074 1.00 0.00 C ATOM 0 H MET A 93 -11.393 -2.775 11.089 1.00 0.00 H new ATOM 0 HA MET A 93 -11.856 -2.651 13.992 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.594 -4.321 11.964 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.148 -5.170 12.476 1.00 0.00 H new ATOM 0 HG2 MET A 93 -12.060 -5.003 14.895 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.571 -4.456 14.196 1.00 0.00 H new ATOM 0 HE1 MET A 93 -12.475 -8.595 15.057 1.00 0.00 H new ATOM 0 HE2 MET A 93 -11.250 -7.304 15.034 1.00 0.00 H new ATOM 0 HE3 MET A 93 -12.736 -7.103 15.992 1.00 0.00 H new ATOM 1444 N MET A 94 -8.891 -3.581 12.866 1.00 0.00 N ATOM 1445 CA MET A 94 -7.482 -3.786 13.351 1.00 0.00 C ATOM 1446 C MET A 94 -6.914 -2.454 13.862 1.00 0.00 C ATOM 1447 O MET A 94 -6.204 -2.424 14.849 1.00 0.00 O ATOM 1448 CB MET A 94 -6.666 -4.293 12.151 1.00 0.00 C ATOM 1449 CG MET A 94 -6.926 -5.788 11.953 1.00 0.00 C ATOM 1450 SD MET A 94 -5.783 -6.440 10.710 1.00 0.00 S ATOM 1451 CE MET A 94 -4.424 -6.838 11.837 1.00 0.00 C ATOM 0 H MET A 94 -9.017 -3.628 11.855 1.00 0.00 H new ATOM 0 HA MET A 94 -7.444 -4.503 14.171 1.00 0.00 H new ATOM 0 HB2 MET A 94 -6.942 -3.743 11.251 1.00 0.00 H new ATOM 0 HB3 MET A 94 -5.604 -4.117 12.319 1.00 0.00 H new ATOM 0 HG2 MET A 94 -6.796 -6.319 12.896 1.00 0.00 H new ATOM 0 HG3 MET A 94 -7.956 -5.950 11.636 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.595 -7.262 11.271 1.00 0.00 H new ATOM 0 HE2 MET A 94 -4.092 -5.931 12.342 1.00 0.00 H new ATOM 0 HE3 MET A 94 -4.766 -7.561 12.578 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.232 -1.347 13.215 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.704 -0.026 13.708 1.00 0.00 C ATOM 1463 C ASN A 95 -7.392 0.345 15.031 1.00 0.00 C ATOM 1464 O ASN A 95 -6.769 0.899 15.917 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.016 1.023 12.626 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.830 1.129 11.655 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.641 0.203 10.746 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.064 2.070 11.723 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.822 -1.302 12.384 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.630 -0.075 13.890 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.919 0.744 12.084 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.208 1.991 13.088 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.206 2.793 12.428 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.279 2.137 11.075 1.00 0.00 H new