USER MOD reduce.3.24.130724 H: found=0, std=0, add=362, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 364 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 39 ASN : amide:sc= 0.646 K(o=1.9,f=-4.4!) USER MOD Set 1.2: A 41 SER OG : rot 97:sc= 1.21 USER MOD Single : A 10 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -137:sc= 0.597 USER MOD Single : A 16 ASN : amide:sc= -1.84! C(o=-1.8!,f=-5.6!) USER MOD Single : A 17 TYR OH : rot -123:sc= 0.00338 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.321 USER MOD Single : A 48 THR OG1 : rot -54:sc= 1.24 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.305 K(o=-0.31,f=-2.5) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.882 -13.023 -10.326 1.00 0.00 N ATOM 67 CA LEU A 8 -1.153 -11.800 -9.578 1.00 0.00 C ATOM 68 C LEU A 8 -2.365 -11.070 -10.148 1.00 0.00 C ATOM 69 O LEU A 8 -2.584 -11.066 -11.359 1.00 0.00 O ATOM 70 CB LEU A 8 0.069 -10.881 -9.603 1.00 0.00 C ATOM 71 CG LEU A 8 1.415 -11.546 -9.313 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.538 -10.522 -9.362 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.385 -12.243 -7.960 1.00 0.00 C ATOM 0 HA LEU A 8 -1.371 -12.076 -8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.124 -10.409 -10.584 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.085 -10.085 -8.874 1.00 0.00 H new ATOM 0 HG LEU A 8 1.601 -12.296 -10.082 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.488 -11.014 -9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.574 -10.069 -10.353 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.358 -9.749 -8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.351 -12.711 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.176 -11.512 -7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.606 -13.006 -7.961 1.00 0.00 H new ATOM 85 N GLU A 9 -3.146 -10.452 -9.268 1.00 0.00 N ATOM 86 CA GLU A 9 -4.334 -9.717 -9.686 1.00 0.00 C ATOM 87 C GLU A 9 -4.126 -8.214 -9.530 1.00 0.00 C ATOM 88 O GLU A 9 -3.222 -7.772 -8.822 1.00 0.00 O ATOM 89 CB GLU A 9 -5.549 -10.163 -8.870 1.00 0.00 C ATOM 90 CG GLU A 9 -5.818 -11.656 -8.943 1.00 0.00 C ATOM 91 CD GLU A 9 -6.323 -12.092 -10.305 1.00 0.00 C ATOM 92 OE1 GLU A 9 -7.381 -11.585 -10.734 1.00 0.00 O ATOM 93 OE2 GLU A 9 -5.662 -12.939 -10.941 1.00 0.00 O ATOM 0 H GLU A 9 -2.978 -10.446 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.513 -9.934 -10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.400 -9.880 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.430 -9.626 -9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.902 -12.198 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.552 -11.927 -8.184 1.00 0.00 H new ATOM 100 N GLN A 10 -4.970 -7.433 -10.197 1.00 0.00 N ATOM 101 CA GLN A 10 -4.879 -5.980 -10.134 1.00 0.00 C ATOM 102 C GLN A 10 -6.014 -5.398 -9.298 1.00 0.00 C ATOM 103 O GLN A 10 -7.172 -5.791 -9.447 1.00 0.00 O ATOM 104 CB GLN A 10 -4.910 -5.384 -11.543 1.00 0.00 C ATOM 105 CG GLN A 10 -3.647 -5.652 -12.345 1.00 0.00 C ATOM 106 CD GLN A 10 -3.623 -4.905 -13.663 1.00 0.00 C ATOM 107 OE1 GLN A 10 -4.094 -5.407 -14.684 1.00 0.00 O ATOM 108 NE2 GLN A 10 -3.072 -3.696 -13.649 1.00 0.00 N ATOM 0 H GLN A 10 -5.725 -7.783 -10.787 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.933 -5.721 -9.658 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.766 -5.791 -12.082 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.062 -4.307 -11.470 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.778 -5.365 -11.753 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.563 -6.722 -12.537 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.694 -3.318 -12.780 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.027 -3.146 -14.507 1.00 0.00 H new ATOM 117 N TYR A 11 -5.676 -4.462 -8.419 1.00 0.00 N ATOM 118 CA TYR A 11 -6.667 -3.829 -7.557 1.00 0.00 C ATOM 119 C TYR A 11 -6.722 -2.324 -7.805 1.00 0.00 C ATOM 120 O TYR A 11 -5.724 -1.707 -8.178 1.00 0.00 O ATOM 121 CB TYR A 11 -6.345 -4.103 -6.087 1.00 0.00 C ATOM 122 CG TYR A 11 -6.936 -5.395 -5.570 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.525 -6.622 -6.075 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.905 -5.388 -4.573 1.00 0.00 C ATOM 125 CE1 TYR A 11 -7.063 -7.805 -5.605 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.447 -6.566 -4.097 1.00 0.00 C ATOM 127 CZ TYR A 11 -8.023 -7.772 -4.616 1.00 0.00 C ATOM 128 OH TYR A 11 -8.561 -8.947 -4.144 1.00 0.00 O ATOM 0 H TYR A 11 -4.723 -4.124 -8.284 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.642 -4.255 -7.794 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.263 -4.131 -5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.716 -3.276 -5.482 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.772 -6.652 -6.848 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.239 -4.446 -4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.733 -8.750 -6.010 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.199 -6.543 -3.322 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.222 -8.748 -3.449 1.00 0.00 H new ATOM 138 N VAL A 12 -7.897 -1.739 -7.594 1.00 0.00 N ATOM 139 CA VAL A 12 -8.084 -0.307 -7.792 1.00 0.00 C ATOM 140 C VAL A 12 -8.117 0.432 -6.459 1.00 0.00 C ATOM 141 O VAL A 12 -8.767 -0.006 -5.509 1.00 0.00 O ATOM 142 CB VAL A 12 -9.385 -0.012 -8.562 1.00 0.00 C ATOM 143 CG1 VAL A 12 -10.594 -0.477 -7.766 1.00 0.00 C ATOM 144 CG2 VAL A 12 -9.487 1.471 -8.886 1.00 0.00 C ATOM 0 H VAL A 12 -8.733 -2.235 -7.286 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.235 0.045 -8.379 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.365 -0.565 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.504 -0.260 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.523 -1.550 -7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.623 0.046 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.412 1.662 -9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.485 2.047 -7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.637 1.769 -9.500 1.00 0.00 H new ATOM 154 N VAL A 13 -7.412 1.557 -6.394 1.00 0.00 N ATOM 155 CA VAL A 13 -7.361 2.360 -5.178 1.00 0.00 C ATOM 156 C VAL A 13 -8.685 3.077 -4.937 1.00 0.00 C ATOM 157 O VAL A 13 -9.384 3.447 -5.881 1.00 0.00 O ATOM 158 CB VAL A 13 -6.229 3.402 -5.239 1.00 0.00 C ATOM 159 CG1 VAL A 13 -6.111 4.141 -3.915 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.912 2.736 -5.607 1.00 0.00 C ATOM 0 H VAL A 13 -6.868 1.933 -7.170 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.167 1.673 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.470 4.130 -6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.306 4.873 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.049 4.651 -3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.893 3.429 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.123 3.487 -5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.662 1.985 -4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.006 2.258 -6.582 1.00 0.00 H new ATOM 170 N VAL A 14 -9.024 3.271 -3.667 1.00 0.00 N ATOM 171 CA VAL A 14 -10.264 3.945 -3.301 1.00 0.00 C ATOM 172 C VAL A 14 -9.983 5.283 -2.625 1.00 0.00 C ATOM 173 O VAL A 14 -10.767 6.225 -2.740 1.00 0.00 O ATOM 174 CB VAL A 14 -11.119 3.077 -2.359 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.764 1.932 -3.127 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.275 2.549 -1.209 1.00 0.00 C ATOM 0 H VAL A 14 -8.457 2.971 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.816 4.116 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.913 3.697 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.364 1.329 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.402 2.335 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.988 1.310 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.895 1.938 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.459 1.944 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.865 3.386 -0.644 1.00 0.00 H new ATOM 186 N SER A 15 -8.859 5.359 -1.920 1.00 0.00 N ATOM 187 CA SER A 15 -8.475 6.580 -1.223 1.00 0.00 C ATOM 188 C SER A 15 -7.020 6.937 -1.511 1.00 0.00 C ATOM 189 O SER A 15 -6.188 6.059 -1.738 1.00 0.00 O ATOM 190 CB SER A 15 -8.683 6.419 0.284 1.00 0.00 C ATOM 191 OG SER A 15 -8.001 7.431 1.005 1.00 0.00 O ATOM 0 H SER A 15 -8.198 4.589 -1.817 1.00 0.00 H new ATOM 0 HA SER A 15 -9.108 7.390 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.748 6.460 0.513 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.326 5.439 0.601 1.00 0.00 H new ATOM 0 HG SER A 15 -7.560 7.036 1.786 1.00 0.00 H new ATOM 197 N ASN A 16 -6.721 8.232 -1.501 1.00 0.00 N ATOM 198 CA ASN A 16 -5.367 8.706 -1.762 1.00 0.00 C ATOM 199 C ASN A 16 -4.472 8.495 -0.545 1.00 0.00 C ATOM 200 O ASN A 16 -4.644 9.148 0.485 1.00 0.00 O ATOM 201 CB ASN A 16 -5.388 10.188 -2.144 1.00 0.00 C ATOM 202 CG ASN A 16 -6.178 10.447 -3.412 1.00 0.00 C ATOM 203 OD1 ASN A 16 -5.620 10.478 -4.508 1.00 0.00 O ATOM 204 ND2 ASN A 16 -7.484 10.636 -3.266 1.00 0.00 N ATOM 0 H ASN A 16 -7.398 8.972 -1.315 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.961 8.129 -2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.819 10.765 -1.326 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.365 10.540 -2.278 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.068 10.816 -4.083 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.904 10.601 -2.337 1.00 0.00 H new ATOM 211 N TYR A 17 -3.518 7.580 -0.670 1.00 0.00 N ATOM 212 CA TYR A 17 -2.597 7.281 0.420 1.00 0.00 C ATOM 213 C TYR A 17 -1.406 8.235 0.404 1.00 0.00 C ATOM 214 O TYR A 17 -0.885 8.580 -0.657 1.00 0.00 O ATOM 215 CB TYR A 17 -2.108 5.835 0.321 1.00 0.00 C ATOM 216 CG TYR A 17 -1.565 5.289 1.622 1.00 0.00 C ATOM 217 CD1 TYR A 17 -0.274 5.590 2.039 1.00 0.00 C ATOM 218 CD2 TYR A 17 -2.342 4.472 2.434 1.00 0.00 C ATOM 219 CE1 TYR A 17 0.227 5.093 3.227 1.00 0.00 C ATOM 220 CE2 TYR A 17 -1.849 3.972 3.624 1.00 0.00 C ATOM 221 CZ TYR A 17 -0.565 4.285 4.016 1.00 0.00 C ATOM 222 OH TYR A 17 -0.070 3.788 5.200 1.00 0.00 O ATOM 0 H TYR A 17 -3.362 7.032 -1.516 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.132 7.413 1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.932 5.204 -0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.331 5.774 -0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.348 6.223 1.424 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.348 4.224 2.130 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.233 5.336 3.536 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.467 3.339 4.244 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.119 2.809 5.190 1.00 0.00 H new ATOM 333 N GLU A 24 6.414 3.310 2.408 1.00 0.00 N ATOM 334 CA GLU A 24 5.040 3.505 1.960 1.00 0.00 C ATOM 335 C GLU A 24 5.003 4.210 0.608 1.00 0.00 C ATOM 336 O GLU A 24 5.893 4.996 0.280 1.00 0.00 O ATOM 337 CB GLU A 24 4.254 4.317 2.993 1.00 0.00 C ATOM 338 CG GLU A 24 4.148 3.638 4.348 1.00 0.00 C ATOM 339 CD GLU A 24 3.321 2.368 4.302 1.00 0.00 C ATOM 340 OE1 GLU A 24 2.445 2.263 3.418 1.00 0.00 O ATOM 341 OE2 GLU A 24 3.550 1.479 5.149 1.00 0.00 O ATOM 0 HA GLU A 24 4.578 2.524 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.732 5.288 3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.251 4.503 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.148 3.403 4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.704 4.330 5.063 1.00 0.00 H new ATOM 348 N LEU A 25 3.969 3.923 -0.175 1.00 0.00 N ATOM 349 CA LEU A 25 3.815 4.528 -1.493 1.00 0.00 C ATOM 350 C LEU A 25 2.712 5.582 -1.483 1.00 0.00 C ATOM 351 O LEU A 25 1.766 5.497 -0.700 1.00 0.00 O ATOM 352 CB LEU A 25 3.500 3.454 -2.536 1.00 0.00 C ATOM 353 CG LEU A 25 4.691 2.642 -3.043 1.00 0.00 C ATOM 354 CD1 LEU A 25 4.233 1.586 -4.038 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.730 3.556 -3.675 1.00 0.00 C ATOM 0 H LEU A 25 3.224 3.275 0.080 1.00 0.00 H new ATOM 0 HA LEU A 25 4.755 5.014 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.771 2.765 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.023 3.934 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 25 5.149 2.137 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.095 1.018 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.526 0.912 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.749 2.071 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.571 2.960 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.283 4.089 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.082 4.274 -2.934 1.00 0.00 H new ATOM 367 N SER A 26 2.841 6.574 -2.358 1.00 0.00 N ATOM 368 CA SER A 26 1.856 7.646 -2.449 1.00 0.00 C ATOM 369 C SER A 26 0.871 7.384 -3.584 1.00 0.00 C ATOM 370 O SER A 26 0.821 8.130 -4.563 1.00 0.00 O ATOM 371 CB SER A 26 2.553 8.991 -2.664 1.00 0.00 C ATOM 372 OG SER A 26 1.620 10.056 -2.654 1.00 0.00 O ATOM 0 H SER A 26 3.618 6.658 -3.014 1.00 0.00 H new ATOM 0 HA SER A 26 1.302 7.678 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.297 9.148 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.087 8.980 -3.614 1.00 0.00 H new ATOM 0 HG SER A 26 2.091 10.904 -2.792 1.00 0.00 H new ATOM 378 N LEU A 27 0.089 6.319 -3.446 1.00 0.00 N ATOM 379 CA LEU A 27 -0.896 5.957 -4.459 1.00 0.00 C ATOM 380 C LEU A 27 -1.844 7.119 -4.738 1.00 0.00 C ATOM 381 O LEU A 27 -1.785 8.152 -4.072 1.00 0.00 O ATOM 382 CB LEU A 27 -1.692 4.731 -4.009 1.00 0.00 C ATOM 383 CG LEU A 27 -0.875 3.573 -3.435 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.772 2.380 -3.141 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.241 3.181 -4.393 1.00 0.00 C ATOM 0 H LEU A 27 0.118 5.691 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.363 5.719 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.414 5.048 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.262 4.360 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.424 3.901 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.173 1.566 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.534 2.668 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.253 2.051 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.812 2.355 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.189 2.872 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.900 4.034 -4.552 1.00 0.00 H new ATOM 397 N GLN A 28 -2.717 6.940 -5.723 1.00 0.00 N ATOM 398 CA GLN A 28 -3.679 7.974 -6.088 1.00 0.00 C ATOM 399 C GLN A 28 -5.073 7.382 -6.266 1.00 0.00 C ATOM 400 O GLN A 28 -5.222 6.236 -6.689 1.00 0.00 O ATOM 401 CB GLN A 28 -3.241 8.676 -7.375 1.00 0.00 C ATOM 402 CG GLN A 28 -3.993 9.969 -7.648 1.00 0.00 C ATOM 403 CD GLN A 28 -3.199 10.936 -8.504 1.00 0.00 C ATOM 404 OE1 GLN A 28 -2.320 10.531 -9.266 1.00 0.00 O ATOM 405 NE2 GLN A 28 -3.504 12.223 -8.383 1.00 0.00 N ATOM 0 H GLN A 28 -2.779 6.090 -6.283 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.715 8.704 -5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.174 8.891 -7.317 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.384 7.998 -8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.935 9.739 -8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.241 10.448 -6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.240 12.514 -7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.003 12.920 -8.934 1.00 0.00 H new ATOM 414 N ALA A 29 -6.092 8.172 -5.941 1.00 0.00 N ATOM 415 CA ALA A 29 -7.474 7.726 -6.067 1.00 0.00 C ATOM 416 C ALA A 29 -7.781 7.288 -7.495 1.00 0.00 C ATOM 417 O ALA A 29 -7.658 8.071 -8.435 1.00 0.00 O ATOM 418 CB ALA A 29 -8.426 8.832 -5.636 1.00 0.00 C ATOM 0 H ALA A 29 -5.986 9.123 -5.589 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.614 6.865 -5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.455 8.486 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.230 9.096 -4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.276 9.708 -6.267 1.00 0.00 H new ATOM 424 N GLY A 30 -8.182 6.029 -7.649 1.00 0.00 N ATOM 425 CA GLY A 30 -8.500 5.508 -8.966 1.00 0.00 C ATOM 426 C GLY A 30 -7.291 4.918 -9.663 1.00 0.00 C ATOM 427 O GLY A 30 -7.282 4.771 -10.885 1.00 0.00 O ATOM 0 H GLY A 30 -8.292 5.361 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.272 4.744 -8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.915 6.308 -9.579 1.00 0.00 H new ATOM 431 N GLU A 31 -6.268 4.579 -8.885 1.00 0.00 N ATOM 432 CA GLU A 31 -5.047 4.004 -9.437 1.00 0.00 C ATOM 433 C GLU A 31 -5.119 2.480 -9.444 1.00 0.00 C ATOM 434 O GLU A 31 -5.870 1.879 -8.676 1.00 0.00 O ATOM 435 CB GLU A 31 -3.830 4.464 -8.632 1.00 0.00 C ATOM 436 CG GLU A 31 -2.502 4.100 -9.273 1.00 0.00 C ATOM 437 CD GLU A 31 -1.401 5.086 -8.937 1.00 0.00 C ATOM 438 OE1 GLU A 31 -1.476 6.241 -9.406 1.00 0.00 O ATOM 439 OE2 GLU A 31 -0.464 4.704 -8.205 1.00 0.00 O ATOM 0 H GLU A 31 -6.260 4.692 -7.871 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.945 4.351 -10.465 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.877 5.545 -8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.876 4.023 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.205 3.104 -8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.626 4.055 -10.355 1.00 0.00 H new ATOM 446 N VAL A 32 -4.332 1.860 -10.319 1.00 0.00 N ATOM 447 CA VAL A 32 -4.306 0.406 -10.427 1.00 0.00 C ATOM 448 C VAL A 32 -2.950 -0.151 -10.008 1.00 0.00 C ATOM 449 O VAL A 32 -1.905 0.361 -10.408 1.00 0.00 O ATOM 450 CB VAL A 32 -4.616 -0.055 -11.863 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.707 -1.572 -11.929 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.902 0.586 -12.363 1.00 0.00 C ATOM 0 H VAL A 32 -3.705 2.342 -10.963 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.076 0.024 -9.756 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.801 0.265 -12.512 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.927 -1.879 -12.951 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.758 -2.007 -11.615 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.501 -1.918 -11.268 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.105 0.249 -13.379 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.728 0.298 -11.713 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.795 1.671 -12.355 1.00 0.00 H new ATOM 462 N VAL A 33 -2.974 -1.205 -9.198 1.00 0.00 N ATOM 463 CA VAL A 33 -1.747 -1.834 -8.725 1.00 0.00 C ATOM 464 C VAL A 33 -1.868 -3.354 -8.740 1.00 0.00 C ATOM 465 O VAL A 33 -2.963 -3.902 -8.613 1.00 0.00 O ATOM 466 CB VAL A 33 -1.394 -1.373 -7.298 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.266 0.142 -7.244 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.437 -1.864 -6.306 1.00 0.00 C ATOM 0 H VAL A 33 -3.830 -1.641 -8.856 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.952 -1.528 -9.405 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.432 -1.806 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.016 0.450 -6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.479 0.465 -7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.211 0.598 -7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.172 -1.529 -5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.414 -1.462 -6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.474 -2.953 -6.327 1.00 0.00 H new ATOM 478 N ASP A 34 -0.735 -4.030 -8.896 1.00 0.00 N ATOM 479 CA ASP A 34 -0.712 -5.488 -8.927 1.00 0.00 C ATOM 480 C ASP A 34 -0.315 -6.054 -7.567 1.00 0.00 C ATOM 481 O ASP A 34 0.781 -5.794 -7.071 1.00 0.00 O ATOM 482 CB ASP A 34 0.258 -5.982 -10.001 1.00 0.00 C ATOM 483 CG ASP A 34 -0.229 -5.678 -11.405 1.00 0.00 C ATOM 484 OD1 ASP A 34 -0.390 -4.483 -11.731 1.00 0.00 O ATOM 485 OD2 ASP A 34 -0.448 -6.634 -12.176 1.00 0.00 O ATOM 0 H ASP A 34 0.180 -3.592 -9.003 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.716 -5.837 -9.167 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.232 -5.517 -9.849 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.398 -7.058 -9.893 1.00 0.00 H new ATOM 490 N VAL A 35 -1.215 -6.828 -6.968 1.00 0.00 N ATOM 491 CA VAL A 35 -0.960 -7.430 -5.665 1.00 0.00 C ATOM 492 C VAL A 35 0.039 -8.576 -5.777 1.00 0.00 C ATOM 493 O VAL A 35 -0.102 -9.456 -6.627 1.00 0.00 O ATOM 494 CB VAL A 35 -2.258 -7.956 -5.026 1.00 0.00 C ATOM 495 CG1 VAL A 35 -1.998 -8.437 -3.606 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.334 -6.881 -5.044 1.00 0.00 C ATOM 0 H VAL A 35 -2.127 -7.053 -7.365 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.543 -6.648 -5.030 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.613 -8.804 -5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.927 -8.805 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.262 -9.241 -3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.619 -7.610 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.245 -7.270 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.990 -6.012 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.540 -6.589 -6.074 1.00 0.00 H new ATOM 506 N ILE A 36 1.049 -8.560 -4.913 1.00 0.00 N ATOM 507 CA ILE A 36 2.071 -9.599 -4.913 1.00 0.00 C ATOM 508 C ILE A 36 1.967 -10.473 -3.668 1.00 0.00 C ATOM 509 O ILE A 36 1.655 -11.660 -3.756 1.00 0.00 O ATOM 510 CB ILE A 36 3.486 -8.997 -4.987 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.606 -8.068 -6.197 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.530 -10.102 -5.056 1.00 0.00 C ATOM 513 CD1 ILE A 36 4.926 -7.332 -6.265 1.00 0.00 C ATOM 0 H ILE A 36 1.181 -7.839 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 36 1.899 -10.211 -5.799 1.00 0.00 H new ATOM 0 HB ILE A 36 3.663 -8.413 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.478 -8.653 -7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.795 -7.341 -6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.525 -9.660 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.457 -10.728 -4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.357 -10.711 -5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.941 -6.692 -7.147 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.048 -6.720 -5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.742 -8.053 -6.325 1.00 0.00 H new ATOM 525 N GLU A 37 2.229 -9.877 -2.509 1.00 0.00 N ATOM 526 CA GLU A 37 2.164 -10.601 -1.246 1.00 0.00 C ATOM 527 C GLU A 37 1.030 -10.071 -0.373 1.00 0.00 C ATOM 528 O GLU A 37 0.694 -8.888 -0.422 1.00 0.00 O ATOM 529 CB GLU A 37 3.494 -10.488 -0.498 1.00 0.00 C ATOM 530 CG GLU A 37 4.463 -11.616 -0.805 1.00 0.00 C ATOM 531 CD GLU A 37 5.501 -11.229 -1.841 1.00 0.00 C ATOM 532 OE1 GLU A 37 5.951 -10.064 -1.822 1.00 0.00 O ATOM 533 OE2 GLU A 37 5.861 -12.089 -2.671 1.00 0.00 O ATOM 0 H GLU A 37 2.488 -8.895 -2.419 1.00 0.00 H new ATOM 0 HA GLU A 37 1.969 -11.650 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.964 -9.538 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.298 -10.471 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.967 -11.917 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.905 -12.482 -1.161 1.00 0.00 H new ATOM 540 N LYS A 38 0.444 -10.956 0.426 1.00 0.00 N ATOM 541 CA LYS A 38 -0.652 -10.580 1.312 1.00 0.00 C ATOM 542 C LYS A 38 -0.330 -10.939 2.759 1.00 0.00 C ATOM 543 O LYS A 38 0.163 -12.030 3.042 1.00 0.00 O ATOM 544 CB LYS A 38 -1.946 -11.273 0.879 1.00 0.00 C ATOM 545 CG LYS A 38 -2.386 -10.915 -0.530 1.00 0.00 C ATOM 546 CD LYS A 38 -3.293 -11.982 -1.119 1.00 0.00 C ATOM 547 CE LYS A 38 -3.360 -11.882 -2.636 1.00 0.00 C ATOM 548 NZ LYS A 38 -4.065 -13.047 -3.238 1.00 0.00 N ATOM 0 H LYS A 38 0.710 -11.939 0.478 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.786 -9.500 1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.810 -12.352 0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.741 -11.009 1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.909 -9.959 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.509 -10.790 -1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.928 -12.969 -0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.295 -11.880 -0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.873 -10.962 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.350 -11.820 -3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.090 -12.941 -4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.561 -13.923 -2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.037 -13.092 -2.871 1.00 0.00 H new ATOM 562 N ASN A 39 -0.614 -10.015 3.670 1.00 0.00 N ATOM 563 CA ASN A 39 -0.355 -10.235 5.089 1.00 0.00 C ATOM 564 C ASN A 39 -1.651 -10.186 5.892 1.00 0.00 C ATOM 565 O ASN A 39 -2.421 -9.232 5.788 1.00 0.00 O ATOM 566 CB ASN A 39 0.626 -9.187 5.618 1.00 0.00 C ATOM 567 CG ASN A 39 1.348 -9.650 6.869 1.00 0.00 C ATOM 568 OD1 ASN A 39 1.329 -8.973 7.897 1.00 0.00 O ATOM 569 ND2 ASN A 39 1.989 -10.810 6.787 1.00 0.00 N ATOM 0 H ASN A 39 -1.023 -9.107 3.452 1.00 0.00 H new ATOM 0 HA ASN A 39 0.085 -11.225 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.358 -8.955 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.087 -8.265 5.833 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.492 -11.173 7.597 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.978 -11.338 5.914 1.00 0.00 H new ATOM 576 N GLU A 40 -1.883 -11.221 6.693 1.00 0.00 N ATOM 577 CA GLU A 40 -3.086 -11.296 7.514 1.00 0.00 C ATOM 578 C GLU A 40 -3.234 -10.047 8.378 1.00 0.00 C ATOM 579 O GLU A 40 -4.345 -9.654 8.735 1.00 0.00 O ATOM 580 CB GLU A 40 -3.048 -12.542 8.402 1.00 0.00 C ATOM 581 CG GLU A 40 -3.186 -13.843 7.631 1.00 0.00 C ATOM 582 CD GLU A 40 -4.623 -14.149 7.256 1.00 0.00 C ATOM 583 OE1 GLU A 40 -5.355 -14.700 8.105 1.00 0.00 O ATOM 584 OE2 GLU A 40 -5.016 -13.837 6.112 1.00 0.00 O ATOM 0 H GLU A 40 -1.255 -12.018 6.791 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.946 -11.360 6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.109 -12.555 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.850 -12.478 9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.581 -13.790 6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.789 -14.661 8.232 1.00 0.00 H new ATOM 591 N SER A 41 -2.106 -9.427 8.710 1.00 0.00 N ATOM 592 CA SER A 41 -2.109 -8.225 9.535 1.00 0.00 C ATOM 593 C SER A 41 -2.947 -7.125 8.890 1.00 0.00 C ATOM 594 O SER A 41 -3.476 -6.250 9.574 1.00 0.00 O ATOM 595 CB SER A 41 -0.678 -7.729 9.755 1.00 0.00 C ATOM 596 OG SER A 41 0.146 -8.761 10.267 1.00 0.00 O ATOM 0 H SER A 41 -1.179 -9.737 8.420 1.00 0.00 H new ATOM 0 HA SER A 41 -2.552 -8.477 10.499 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.267 -7.365 8.813 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.684 -6.887 10.447 1.00 0.00 H new ATOM 0 HG SER A 41 0.646 -9.175 9.533 1.00 0.00 H new ATOM 602 N GLY A 42 -3.063 -7.177 7.566 1.00 0.00 N ATOM 603 CA GLY A 42 -3.837 -6.181 6.850 1.00 0.00 C ATOM 604 C GLY A 42 -2.972 -5.289 5.981 1.00 0.00 C ATOM 605 O GLY A 42 -3.378 -4.186 5.616 1.00 0.00 O ATOM 0 H GLY A 42 -2.635 -7.891 6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.579 -6.681 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.383 -5.567 7.566 1.00 0.00 H new ATOM 609 N TRP A 43 -1.778 -5.767 5.651 1.00 0.00 N ATOM 610 CA TRP A 43 -0.853 -5.004 4.821 1.00 0.00 C ATOM 611 C TRP A 43 -0.483 -5.780 3.562 1.00 0.00 C ATOM 612 O TRP A 43 0.268 -6.754 3.621 1.00 0.00 O ATOM 613 CB TRP A 43 0.410 -4.660 5.613 1.00 0.00 C ATOM 614 CG TRP A 43 0.199 -3.577 6.627 1.00 0.00 C ATOM 615 CD1 TRP A 43 -0.151 -3.739 7.937 1.00 0.00 C ATOM 616 CD2 TRP A 43 0.324 -2.167 6.414 1.00 0.00 C ATOM 617 NE1 TRP A 43 -0.252 -2.514 8.551 1.00 0.00 N ATOM 618 CE2 TRP A 43 0.035 -1.534 7.638 1.00 0.00 C ATOM 619 CE3 TRP A 43 0.653 -1.378 5.309 1.00 0.00 C ATOM 620 CZ2 TRP A 43 0.065 -0.149 7.785 1.00 0.00 C ATOM 621 CZ3 TRP A 43 0.682 -0.004 5.456 1.00 0.00 C ATOM 622 CH2 TRP A 43 0.390 0.599 6.687 1.00 0.00 C ATOM 0 H TRP A 43 -1.428 -6.679 5.945 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.349 -4.081 4.523 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.768 -5.557 6.119 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.192 -4.351 4.920 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.323 -4.690 8.419 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.500 -2.359 9.528 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.881 -1.834 4.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.160 0.318 8.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.934 0.615 4.608 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.422 1.675 6.770 1.00 0.00 H new ATOM 633 N TRP A 44 -1.014 -5.344 2.426 1.00 0.00 N ATOM 634 CA TRP A 44 -0.739 -6.000 1.152 1.00 0.00 C ATOM 635 C TRP A 44 0.454 -5.355 0.455 1.00 0.00 C ATOM 636 O TRP A 44 0.718 -4.165 0.629 1.00 0.00 O ATOM 637 CB TRP A 44 -1.970 -5.938 0.247 1.00 0.00 C ATOM 638 CG TRP A 44 -3.048 -6.900 0.644 1.00 0.00 C ATOM 639 CD1 TRP A 44 -3.299 -7.378 1.898 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.019 -7.502 -0.219 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.367 -8.242 1.867 1.00 0.00 N ATOM 642 CE2 TRP A 44 -4.828 -8.334 0.581 1.00 0.00 C ATOM 643 CE3 TRP A 44 -4.286 -7.418 -1.588 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -5.882 -9.076 0.054 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -5.332 -8.156 -2.109 1.00 0.00 C ATOM 646 CH2 TRP A 44 -6.120 -8.975 -1.290 1.00 0.00 C ATOM 0 H TRP A 44 -1.637 -4.539 2.360 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.498 -7.044 1.353 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.373 -4.925 0.263 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.668 -6.145 -0.780 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.740 -7.116 2.784 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.754 -8.735 2.672 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.686 -6.788 -2.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.490 -9.709 0.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.546 -8.100 -3.166 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.931 -9.538 -1.728 1.00 0.00 H new ATOM 657 N PHE A 45 1.171 -6.147 -0.336 1.00 0.00 N ATOM 658 CA PHE A 45 2.336 -5.652 -1.059 1.00 0.00 C ATOM 659 C PHE A 45 2.058 -5.586 -2.558 1.00 0.00 C ATOM 660 O PHE A 45 2.259 -6.562 -3.282 1.00 0.00 O ATOM 661 CB PHE A 45 3.547 -6.549 -0.793 1.00 0.00 C ATOM 662 CG PHE A 45 4.827 -6.014 -1.368 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.271 -4.743 -1.041 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.587 -6.783 -2.234 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.448 -4.248 -1.569 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.766 -6.294 -2.765 1.00 0.00 C ATOM 667 CZ PHE A 45 7.197 -5.025 -2.431 1.00 0.00 C ATOM 0 H PHE A 45 0.965 -7.134 -0.492 1.00 0.00 H new ATOM 0 HA PHE A 45 2.553 -4.645 -0.702 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.666 -6.675 0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.356 -7.537 -1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.690 -4.132 -0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.255 -7.776 -2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.782 -3.255 -1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.349 -6.903 -3.440 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.118 -4.641 -2.843 1.00 0.00 H new ATOM 677 N VAL A 46 1.593 -4.429 -3.017 1.00 0.00 N ATOM 678 CA VAL A 46 1.287 -4.234 -4.430 1.00 0.00 C ATOM 679 C VAL A 46 2.476 -3.634 -5.172 1.00 0.00 C ATOM 680 O VAL A 46 3.480 -3.265 -4.562 1.00 0.00 O ATOM 681 CB VAL A 46 0.063 -3.318 -4.618 1.00 0.00 C ATOM 682 CG1 VAL A 46 -1.141 -3.876 -3.874 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.379 -1.905 -4.152 1.00 0.00 C ATOM 0 H VAL A 46 1.420 -3.612 -2.431 1.00 0.00 H new ATOM 0 HA VAL A 46 1.063 -5.217 -4.844 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.181 -3.280 -5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.996 -3.216 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.379 -4.867 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.912 -3.945 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.497 -1.271 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.650 -1.922 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.211 -1.508 -4.733 1.00 0.00 H new ATOM 693 N SER A 47 2.356 -3.538 -6.492 1.00 0.00 N ATOM 694 CA SER A 47 3.422 -2.985 -7.319 1.00 0.00 C ATOM 695 C SER A 47 2.863 -1.996 -8.337 1.00 0.00 C ATOM 696 O SER A 47 1.820 -2.236 -8.947 1.00 0.00 O ATOM 697 CB SER A 47 4.171 -4.107 -8.040 1.00 0.00 C ATOM 698 OG SER A 47 5.095 -3.583 -8.978 1.00 0.00 O ATOM 0 H SER A 47 1.531 -3.836 -7.012 1.00 0.00 H new ATOM 0 HA SER A 47 4.116 -2.455 -6.667 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.698 -4.723 -7.312 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.458 -4.755 -8.550 1.00 0.00 H new ATOM 0 HG SER A 47 5.562 -4.320 -9.424 1.00 0.00 H new ATOM 704 N THR A 48 3.563 -0.880 -8.515 1.00 0.00 N ATOM 705 CA THR A 48 3.138 0.147 -9.457 1.00 0.00 C ATOM 706 C THR A 48 4.209 0.404 -10.511 1.00 0.00 C ATOM 707 O THR A 48 5.345 -0.051 -10.380 1.00 0.00 O ATOM 708 CB THR A 48 2.815 1.470 -8.738 1.00 0.00 C ATOM 709 OG1 THR A 48 4.026 2.103 -8.308 1.00 0.00 O ATOM 710 CG2 THR A 48 1.910 1.227 -7.539 1.00 0.00 C ATOM 0 H THR A 48 4.428 -0.665 -8.018 1.00 0.00 H new ATOM 0 HA THR A 48 2.236 -0.224 -9.943 1.00 0.00 H new ATOM 0 HB THR A 48 2.295 2.122 -9.440 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.550 1.474 -7.769 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.695 2.176 -7.047 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.977 0.772 -7.873 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.408 0.559 -6.837 1.00 0.00 H new ATOM 718 N SER A 49 3.839 1.136 -11.557 1.00 0.00 N ATOM 719 CA SER A 49 4.768 1.451 -12.637 1.00 0.00 C ATOM 720 C SER A 49 6.028 2.118 -12.092 1.00 0.00 C ATOM 721 O SER A 49 7.101 2.020 -12.686 1.00 0.00 O ATOM 722 CB SER A 49 4.098 2.364 -13.665 1.00 0.00 C ATOM 723 OG SER A 49 4.670 2.190 -14.950 1.00 0.00 O ATOM 0 H SER A 49 2.903 1.522 -11.680 1.00 0.00 H new ATOM 0 HA SER A 49 5.052 0.517 -13.122 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.030 2.149 -13.706 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.202 3.404 -13.355 1.00 0.00 H new ATOM 0 HG SER A 49 4.224 2.783 -15.590 1.00 0.00 H new ATOM 729 N GLU A 50 5.887 2.797 -10.958 1.00 0.00 N ATOM 730 CA GLU A 50 7.013 3.481 -10.333 1.00 0.00 C ATOM 731 C GLU A 50 7.790 2.533 -9.424 1.00 0.00 C ATOM 732 O GLU A 50 8.906 2.127 -9.743 1.00 0.00 O ATOM 733 CB GLU A 50 6.523 4.688 -9.530 1.00 0.00 C ATOM 734 CG GLU A 50 6.348 5.945 -10.367 1.00 0.00 C ATOM 735 CD GLU A 50 6.287 7.203 -9.523 1.00 0.00 C ATOM 736 OE1 GLU A 50 5.706 7.151 -8.419 1.00 0.00 O ATOM 737 OE2 GLU A 50 6.822 8.241 -9.967 1.00 0.00 O ATOM 0 H GLU A 50 5.005 2.888 -10.454 1.00 0.00 H new ATOM 0 HA GLU A 50 7.680 3.826 -11.124 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.572 4.439 -9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.232 4.892 -8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.175 6.025 -11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.434 5.861 -10.955 1.00 0.00 H new ATOM 744 N GLU A 51 7.189 2.186 -8.290 1.00 0.00 N ATOM 745 CA GLU A 51 7.825 1.287 -7.334 1.00 0.00 C ATOM 746 C GLU A 51 6.781 0.477 -6.570 1.00 0.00 C ATOM 747 O GLU A 51 5.579 0.682 -6.738 1.00 0.00 O ATOM 748 CB GLU A 51 8.689 2.080 -6.351 1.00 0.00 C ATOM 749 CG GLU A 51 9.742 2.944 -7.026 1.00 0.00 C ATOM 750 CD GLU A 51 10.718 3.553 -6.038 1.00 0.00 C ATOM 751 OE1 GLU A 51 10.423 4.646 -5.511 1.00 0.00 O ATOM 752 OE2 GLU A 51 11.776 2.937 -5.793 1.00 0.00 O ATOM 0 H GLU A 51 6.264 2.513 -8.011 1.00 0.00 H new ATOM 0 HA GLU A 51 8.459 0.597 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.044 2.716 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.182 1.385 -5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.292 2.342 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.250 3.741 -7.583 1.00 0.00 H new ATOM 759 N GLN A 52 7.250 -0.442 -5.733 1.00 0.00 N ATOM 760 CA GLN A 52 6.356 -1.283 -4.945 1.00 0.00 C ATOM 761 C GLN A 52 6.423 -0.913 -3.467 1.00 0.00 C ATOM 762 O GLN A 52 7.479 -0.543 -2.956 1.00 0.00 O ATOM 763 CB GLN A 52 6.716 -2.759 -5.130 1.00 0.00 C ATOM 764 CG GLN A 52 6.927 -3.156 -6.582 1.00 0.00 C ATOM 765 CD GLN A 52 8.377 -3.042 -7.013 1.00 0.00 C ATOM 766 OE1 GLN A 52 8.807 -2.005 -7.518 1.00 0.00 O ATOM 767 NE2 GLN A 52 9.139 -4.112 -6.815 1.00 0.00 N ATOM 0 H GLN A 52 8.242 -0.623 -5.583 1.00 0.00 H new ATOM 0 HA GLN A 52 5.338 -1.117 -5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.624 -2.976 -4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.923 -3.374 -4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.588 -4.182 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.311 -2.523 -7.221 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.741 -4.951 -6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.122 -4.095 -7.085 1.00 0.00 H new ATOM 776 N GLY A 53 5.286 -1.015 -2.784 1.00 0.00 N ATOM 777 CA GLY A 53 5.237 -0.687 -1.372 1.00 0.00 C ATOM 778 C GLY A 53 4.203 -1.504 -0.622 1.00 0.00 C ATOM 779 O GLY A 53 3.434 -2.250 -1.228 1.00 0.00 O ATOM 0 H GLY A 53 4.398 -1.319 -3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.219 -0.854 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.012 0.373 -1.256 1.00 0.00 H new ATOM 783 N TRP A 54 4.185 -1.364 0.698 1.00 0.00 N ATOM 784 CA TRP A 54 3.239 -2.097 1.531 1.00 0.00 C ATOM 785 C TRP A 54 2.106 -1.189 1.997 1.00 0.00 C ATOM 786 O TRP A 54 2.280 -0.379 2.908 1.00 0.00 O ATOM 787 CB TRP A 54 3.954 -2.701 2.741 1.00 0.00 C ATOM 788 CG TRP A 54 4.853 -3.847 2.388 1.00 0.00 C ATOM 789 CD1 TRP A 54 6.137 -3.770 1.928 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.535 -5.241 2.463 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.636 -5.032 1.714 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.674 -5.952 2.035 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.401 -5.958 2.853 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.707 -7.343 1.986 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.435 -7.338 2.803 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.582 -8.019 2.372 1.00 0.00 C ATOM 0 H TRP A 54 4.814 -0.750 1.215 1.00 0.00 H new ATOM 0 HA TRP A 54 2.813 -2.901 0.931 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.542 -1.925 3.231 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.210 -3.041 3.462 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.680 -2.852 1.758 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.572 -5.249 1.371 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.513 -5.442 3.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.590 -7.870 1.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.563 -7.902 3.101 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.577 -9.099 2.344 1.00 0.00 H new ATOM 807 N VAL A 55 0.944 -1.328 1.366 1.00 0.00 N ATOM 808 CA VAL A 55 -0.218 -0.520 1.717 1.00 0.00 C ATOM 809 C VAL A 55 -1.337 -1.385 2.285 1.00 0.00 C ATOM 810 O VAL A 55 -1.420 -2.586 2.026 1.00 0.00 O ATOM 811 CB VAL A 55 -0.752 0.255 0.497 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.119 1.469 0.212 1.00 0.00 C ATOM 813 CG2 VAL A 55 -0.828 -0.655 -0.720 1.00 0.00 C ATOM 0 H VAL A 55 0.783 -1.993 0.609 1.00 0.00 H new ATOM 0 HA VAL A 55 0.108 0.191 2.476 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.759 0.606 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.274 2.004 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.117 2.130 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.139 1.145 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.207 -0.092 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.166 -1.037 -0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.498 -1.489 -0.510 1.00 0.00 H new ATOM 823 N PRO A 56 -2.221 -0.763 3.079 1.00 0.00 N ATOM 824 CA PRO A 56 -3.353 -1.457 3.700 1.00 0.00 C ATOM 825 C PRO A 56 -4.410 -1.869 2.681 1.00 0.00 C ATOM 826 O PRO A 56 -4.817 -1.072 1.837 1.00 0.00 O ATOM 827 CB PRO A 56 -3.921 -0.415 4.667 1.00 0.00 C ATOM 828 CG PRO A 56 -3.516 0.897 4.090 1.00 0.00 C ATOM 829 CD PRO A 56 -2.184 0.667 3.430 1.00 0.00 C ATOM 0 HA PRO A 56 -3.047 -2.385 4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.005 -0.496 4.744 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.519 -0.547 5.672 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.253 1.250 3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.440 1.658 4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.059 1.294 2.548 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.357 0.895 4.103 1.00 0.00 H new ATOM 837 N ALA A 57 -4.852 -3.120 2.766 1.00 0.00 N ATOM 838 CA ALA A 57 -5.863 -3.637 1.853 1.00 0.00 C ATOM 839 C ALA A 57 -7.101 -2.747 1.844 1.00 0.00 C ATOM 840 O ALA A 57 -7.823 -2.680 0.849 1.00 0.00 O ATOM 841 CB ALA A 57 -6.238 -5.062 2.233 1.00 0.00 C ATOM 0 H ALA A 57 -4.525 -3.794 3.458 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.442 -3.639 0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.994 -5.436 1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.354 -5.697 2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.635 -5.075 3.248 1.00 0.00 H new ATOM 847 N THR A 58 -7.342 -2.064 2.959 1.00 0.00 N ATOM 848 CA THR A 58 -8.493 -1.179 3.080 1.00 0.00 C ATOM 849 C THR A 58 -8.499 -0.130 1.973 1.00 0.00 C ATOM 850 O THR A 58 -9.552 0.386 1.599 1.00 0.00 O ATOM 851 CB THR A 58 -8.514 -0.467 4.446 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.258 0.179 4.681 1.00 0.00 O ATOM 853 CG2 THR A 58 -8.799 -1.456 5.566 1.00 0.00 C ATOM 0 H THR A 58 -6.754 -2.107 3.792 1.00 0.00 H new ATOM 0 HA THR A 58 -9.382 -1.803 2.990 1.00 0.00 H new ATOM 0 HB THR A 58 -9.308 0.279 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.280 0.631 5.550 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.809 -0.931 6.521 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.769 -1.925 5.399 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.024 -2.222 5.581 1.00 0.00 H new ATOM 861 N TYR A 59 -7.317 0.181 1.453 1.00 0.00 N ATOM 862 CA TYR A 59 -7.186 1.170 0.390 1.00 0.00 C ATOM 863 C TYR A 59 -7.146 0.497 -0.979 1.00 0.00 C ATOM 864 O TYR A 59 -6.560 1.023 -1.926 1.00 0.00 O ATOM 865 CB TYR A 59 -5.922 2.007 0.596 1.00 0.00 C ATOM 866 CG TYR A 59 -6.085 3.108 1.619 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.334 2.811 2.954 1.00 0.00 C ATOM 868 CD2 TYR A 59 -5.991 4.444 1.252 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.484 3.813 3.893 1.00 0.00 C ATOM 870 CE2 TYR A 59 -6.138 5.453 2.184 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.385 5.133 3.503 1.00 0.00 C ATOM 872 OH TYR A 59 -6.534 6.135 4.434 1.00 0.00 O ATOM 0 H TYR A 59 -6.436 -0.238 1.750 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.057 1.824 0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.109 1.351 0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.629 2.448 -0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.412 1.779 3.262 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.800 4.699 0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.678 3.565 4.926 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.060 6.487 1.882 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.435 7.006 3.996 1.00 0.00 H new ATOM 882 N LEU A 60 -7.775 -0.670 -1.075 1.00 0.00 N ATOM 883 CA LEU A 60 -7.813 -1.417 -2.328 1.00 0.00 C ATOM 884 C LEU A 60 -9.176 -2.070 -2.530 1.00 0.00 C ATOM 885 O LEU A 60 -9.788 -2.558 -1.581 1.00 0.00 O ATOM 886 CB LEU A 60 -6.716 -2.483 -2.342 1.00 0.00 C ATOM 887 CG LEU A 60 -5.305 -1.999 -2.008 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.354 -3.178 -1.875 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.809 -1.028 -3.069 1.00 0.00 C ATOM 0 H LEU A 60 -8.265 -1.119 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.641 -0.717 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.988 -3.265 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.696 -2.942 -3.330 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.338 -1.476 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.354 -2.814 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.700 -3.836 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.325 -3.730 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.803 -0.694 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.792 -1.526 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.476 -0.167 -3.115 1.00 0.00 H new ATOM 901 N GLU A 61 -9.645 -2.076 -3.774 1.00 0.00 N ATOM 902 CA GLU A 61 -10.935 -2.671 -4.101 1.00 0.00 C ATOM 903 C GLU A 61 -10.815 -3.609 -5.299 1.00 0.00 C ATOM 904 O GLU A 61 -9.976 -3.407 -6.176 1.00 0.00 O ATOM 905 CB GLU A 61 -11.966 -1.579 -4.395 1.00 0.00 C ATOM 906 CG GLU A 61 -13.398 -2.085 -4.420 1.00 0.00 C ATOM 907 CD GLU A 61 -14.399 -1.022 -4.009 1.00 0.00 C ATOM 908 OE1 GLU A 61 -14.406 0.059 -4.634 1.00 0.00 O ATOM 909 OE2 GLU A 61 -15.175 -1.271 -3.063 1.00 0.00 O ATOM 0 H GLU A 61 -9.151 -1.676 -4.571 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.267 -3.251 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.879 -0.797 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.734 -1.122 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.638 -2.436 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.489 -2.942 -3.752 1.00 0.00 H new ATOM 916 N ALA A 62 -11.659 -4.635 -5.327 1.00 0.00 N ATOM 917 CA ALA A 62 -11.649 -5.602 -6.417 1.00 0.00 C ATOM 918 C ALA A 62 -12.388 -5.063 -7.638 1.00 0.00 C ATOM 919 O ALA A 62 -13.618 -5.044 -7.671 1.00 0.00 O ATOM 920 CB ALA A 62 -12.267 -6.916 -5.962 1.00 0.00 C ATOM 0 H ALA A 62 -12.358 -4.818 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.612 -5.779 -6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.253 -7.629 -6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.695 -7.317 -5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.297 -6.744 -5.648 1.00 0.00 H new