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 47 SER OG : rot -149:sc= 0.354 USER MOD Set 1.2: A 52 GLN : amide:sc= 0.665 X(o=1,f=0.93) USER MOD Set 2.1: A 39 ASN : amide:sc= -0.0497 K(o=-0.05,f=-3.9!) USER MOD Set 2.2: A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -135:sc= 0.163 USER MOD Single : A 16 ASN : amide:sc= 0.102 K(o=0.1,f=-3.8!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 53:sc= 0.862 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -52:sc= 1.46 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.617 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.780 -11.272 -11.791 1.00 0.00 N ATOM 67 CA LEU A 8 -0.924 -10.628 -10.490 1.00 0.00 C ATOM 68 C LEU A 8 -2.282 -9.945 -10.368 1.00 0.00 C ATOM 69 O LEU A 8 -2.789 -9.372 -11.332 1.00 0.00 O ATOM 70 CB LEU A 8 0.194 -9.605 -10.280 1.00 0.00 C ATOM 71 CG LEU A 8 1.622 -10.136 -10.407 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.610 -8.986 -10.535 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.974 -11.013 -9.215 1.00 0.00 C ATOM 0 HA LEU A 8 -0.854 -11.397 -9.721 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.062 -8.799 -11.002 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.077 -9.167 -9.289 1.00 0.00 H new ATOM 0 HG LEU A 8 1.683 -10.744 -11.310 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.621 -9.383 -10.624 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.371 -8.398 -11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.546 -8.351 -9.651 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.994 -11.382 -9.323 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.894 -10.429 -8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.286 -11.857 -9.169 1.00 0.00 H new ATOM 85 N GLU A 9 -2.866 -10.010 -9.175 1.00 0.00 N ATOM 86 CA GLU A 9 -4.165 -9.397 -8.926 1.00 0.00 C ATOM 87 C GLU A 9 -4.063 -7.875 -8.953 1.00 0.00 C ATOM 88 O GLU A 9 -3.476 -7.267 -8.058 1.00 0.00 O ATOM 89 CB GLU A 9 -4.722 -9.858 -7.578 1.00 0.00 C ATOM 90 CG GLU A 9 -5.145 -11.318 -7.561 1.00 0.00 C ATOM 91 CD GLU A 9 -6.587 -11.512 -7.989 1.00 0.00 C ATOM 92 OE1 GLU A 9 -7.485 -10.961 -7.319 1.00 0.00 O ATOM 93 OE2 GLU A 9 -6.817 -12.215 -8.995 1.00 0.00 O ATOM 0 H GLU A 9 -2.460 -10.481 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.844 -9.712 -9.718 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.967 -9.698 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.579 -9.237 -7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.494 -11.889 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.011 -11.720 -6.557 1.00 0.00 H new ATOM 100 N GLN A 10 -4.637 -7.266 -9.985 1.00 0.00 N ATOM 101 CA GLN A 10 -4.609 -5.816 -10.129 1.00 0.00 C ATOM 102 C GLN A 10 -5.786 -5.174 -9.401 1.00 0.00 C ATOM 103 O GLN A 10 -6.939 -5.337 -9.799 1.00 0.00 O ATOM 104 CB GLN A 10 -4.637 -5.428 -11.609 1.00 0.00 C ATOM 105 CG GLN A 10 -3.387 -5.839 -12.369 1.00 0.00 C ATOM 106 CD GLN A 10 -3.397 -5.365 -13.809 1.00 0.00 C ATOM 107 OE1 GLN A 10 -3.564 -6.159 -14.735 1.00 0.00 O ATOM 108 NE2 GLN A 10 -3.219 -4.064 -14.006 1.00 0.00 N ATOM 0 H GLN A 10 -5.127 -7.755 -10.734 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.685 -5.450 -9.682 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.506 -5.887 -12.080 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.763 -4.348 -11.691 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.510 -5.435 -11.864 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.295 -6.925 -12.349 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.084 -3.441 -13.209 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.217 -3.687 -14.954 1.00 0.00 H new ATOM 117 N TYR A 11 -5.486 -4.444 -8.332 1.00 0.00 N ATOM 118 CA TYR A 11 -6.519 -3.779 -7.546 1.00 0.00 C ATOM 119 C TYR A 11 -6.513 -2.275 -7.800 1.00 0.00 C ATOM 120 O TYR A 11 -5.463 -1.677 -8.034 1.00 0.00 O ATOM 121 CB TYR A 11 -6.313 -4.057 -6.056 1.00 0.00 C ATOM 122 CG TYR A 11 -7.008 -5.310 -5.573 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.673 -6.557 -6.087 1.00 0.00 C ATOM 124 CD2 TYR A 11 -8.001 -5.247 -4.603 1.00 0.00 C ATOM 125 CE1 TYR A 11 -7.305 -7.704 -5.649 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.637 -6.389 -4.157 1.00 0.00 C ATOM 127 CZ TYR A 11 -8.286 -7.615 -4.683 1.00 0.00 C ATOM 128 OH TYR A 11 -8.919 -8.755 -4.243 1.00 0.00 O ATOM 0 H TYR A 11 -4.536 -4.298 -7.990 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.486 -4.177 -7.853 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.245 -4.143 -5.855 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.677 -3.205 -5.482 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.905 -6.630 -6.842 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.280 -4.289 -4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.033 -8.665 -6.060 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.405 -6.323 -3.401 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.582 -8.519 -3.561 1.00 0.00 H new ATOM 138 N VAL A 12 -7.695 -1.669 -7.751 1.00 0.00 N ATOM 139 CA VAL A 12 -7.828 -0.234 -7.974 1.00 0.00 C ATOM 140 C VAL A 12 -7.913 0.522 -6.652 1.00 0.00 C ATOM 141 O VAL A 12 -8.604 0.099 -5.726 1.00 0.00 O ATOM 142 CB VAL A 12 -9.075 0.090 -8.818 1.00 0.00 C ATOM 143 CG1 VAL A 12 -10.341 -0.317 -8.079 1.00 0.00 C ATOM 144 CG2 VAL A 12 -9.107 1.568 -9.174 1.00 0.00 C ATOM 0 H VAL A 12 -8.574 -2.149 -7.559 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.938 0.086 -8.516 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.025 -0.482 -9.744 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.211 -0.080 -8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.318 -1.388 -7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.402 0.226 -7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.995 1.779 -9.770 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.134 2.162 -8.260 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.216 1.824 -9.747 1.00 0.00 H new ATOM 154 N VAL A 13 -7.204 1.643 -6.572 1.00 0.00 N ATOM 155 CA VAL A 13 -7.199 2.460 -5.364 1.00 0.00 C ATOM 156 C VAL A 13 -8.528 3.187 -5.187 1.00 0.00 C ATOM 157 O VAL A 13 -9.201 3.519 -6.163 1.00 0.00 O ATOM 158 CB VAL A 13 -6.059 3.495 -5.390 1.00 0.00 C ATOM 159 CG1 VAL A 13 -5.951 4.205 -4.050 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.743 2.828 -5.757 1.00 0.00 C ATOM 0 H VAL A 13 -6.625 2.007 -7.329 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.044 1.782 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.287 4.241 -6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.140 4.932 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.888 4.717 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.747 3.475 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.948 3.574 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.507 2.060 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.829 2.371 -6.743 1.00 0.00 H new ATOM 170 N VAL A 14 -8.900 3.433 -3.935 1.00 0.00 N ATOM 171 CA VAL A 14 -10.147 4.123 -3.629 1.00 0.00 C ATOM 172 C VAL A 14 -9.882 5.473 -2.973 1.00 0.00 C ATOM 173 O VAL A 14 -10.694 6.392 -3.070 1.00 0.00 O ATOM 174 CB VAL A 14 -11.042 3.280 -2.702 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.620 2.090 -3.453 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.260 2.821 -1.480 1.00 0.00 C ATOM 0 H VAL A 14 -8.355 3.164 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.663 4.279 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.871 3.902 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.249 1.507 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.217 2.445 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.808 1.465 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.908 2.227 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.411 2.216 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.901 3.691 -0.930 1.00 0.00 H new ATOM 186 N SER A 15 -8.739 5.585 -2.303 1.00 0.00 N ATOM 187 CA SER A 15 -8.367 6.822 -1.627 1.00 0.00 C ATOM 188 C SER A 15 -6.886 7.126 -1.825 1.00 0.00 C ATOM 189 O SER A 15 -6.067 6.217 -1.961 1.00 0.00 O ATOM 190 CB SER A 15 -8.685 6.727 -0.133 1.00 0.00 C ATOM 191 OG SER A 15 -8.079 7.787 0.586 1.00 0.00 O ATOM 0 H SER A 15 -8.055 4.834 -2.214 1.00 0.00 H new ATOM 0 HA SER A 15 -8.948 7.634 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.765 6.754 0.015 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.334 5.772 0.257 1.00 0.00 H new ATOM 0 HG SER A 15 -7.654 7.433 1.395 1.00 0.00 H new ATOM 197 N ASN A 16 -6.548 8.411 -1.841 1.00 0.00 N ATOM 198 CA ASN A 16 -5.165 8.836 -2.024 1.00 0.00 C ATOM 199 C ASN A 16 -4.359 8.627 -0.745 1.00 0.00 C ATOM 200 O ASN A 16 -4.372 9.468 0.154 1.00 0.00 O ATOM 201 CB ASN A 16 -5.113 10.308 -2.438 1.00 0.00 C ATOM 202 CG ASN A 16 -5.879 11.205 -1.484 1.00 0.00 C ATOM 203 OD1 ASN A 16 -7.096 11.085 -1.344 1.00 0.00 O ATOM 204 ND2 ASN A 16 -5.167 12.111 -0.824 1.00 0.00 N ATOM 0 H ASN A 16 -7.213 9.176 -1.729 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.725 8.228 -2.814 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.074 10.633 -2.483 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.524 10.415 -3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.627 12.743 -0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.160 12.174 -0.972 1.00 0.00 H new ATOM 211 N TYR A 17 -3.657 7.502 -0.673 1.00 0.00 N ATOM 212 CA TYR A 17 -2.846 7.180 0.495 1.00 0.00 C ATOM 213 C TYR A 17 -1.677 8.151 0.630 1.00 0.00 C ATOM 214 O TYR A 17 -1.066 8.548 -0.362 1.00 0.00 O ATOM 215 CB TYR A 17 -2.324 5.746 0.401 1.00 0.00 C ATOM 216 CG TYR A 17 -1.695 5.245 1.682 1.00 0.00 C ATOM 217 CD1 TYR A 17 -0.385 5.570 2.009 1.00 0.00 C ATOM 218 CD2 TYR A 17 -2.412 4.447 2.565 1.00 0.00 C ATOM 219 CE1 TYR A 17 0.194 5.114 3.178 1.00 0.00 C ATOM 220 CE2 TYR A 17 -1.842 3.988 3.736 1.00 0.00 C ATOM 221 CZ TYR A 17 -0.539 4.323 4.038 1.00 0.00 C ATOM 222 OH TYR A 17 0.033 3.868 5.204 1.00 0.00 O ATOM 0 H TYR A 17 -3.633 6.797 -1.410 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.476 7.272 1.380 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.147 5.086 0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.589 5.688 -0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.191 6.190 1.338 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.432 4.181 2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.214 5.375 3.417 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.414 3.370 4.412 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.617 3.325 5.697 1.00 0.00 H new ATOM 333 N GLU A 24 6.509 2.811 2.490 1.00 0.00 N ATOM 334 CA GLU A 24 5.139 3.188 2.163 1.00 0.00 C ATOM 335 C GLU A 24 5.077 3.894 0.812 1.00 0.00 C ATOM 336 O GLU A 24 6.061 4.481 0.360 1.00 0.00 O ATOM 337 CB GLU A 24 4.562 4.095 3.252 1.00 0.00 C ATOM 338 CG GLU A 24 4.719 3.536 4.656 1.00 0.00 C ATOM 339 CD GLU A 24 4.172 2.128 4.787 1.00 0.00 C ATOM 340 OE1 GLU A 24 2.969 1.984 5.090 1.00 0.00 O ATOM 341 OE2 GLU A 24 4.947 1.170 4.587 1.00 0.00 O ATOM 0 HA GLU A 24 4.543 2.277 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.052 5.067 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.503 4.260 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.774 3.539 4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.206 4.188 5.362 1.00 0.00 H new ATOM 348 N LEU A 25 3.915 3.833 0.171 1.00 0.00 N ATOM 349 CA LEU A 25 3.724 4.465 -1.129 1.00 0.00 C ATOM 350 C LEU A 25 2.574 5.467 -1.084 1.00 0.00 C ATOM 351 O LEU A 25 1.694 5.378 -0.227 1.00 0.00 O ATOM 352 CB LEU A 25 3.450 3.406 -2.199 1.00 0.00 C ATOM 353 CG LEU A 25 4.676 2.679 -2.751 1.00 0.00 C ATOM 354 CD1 LEU A 25 4.260 1.627 -3.767 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.649 3.669 -3.374 1.00 0.00 C ATOM 0 H LEU A 25 3.091 3.352 0.531 1.00 0.00 H new ATOM 0 HA LEU A 25 4.639 5.000 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.769 2.664 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.931 3.883 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 25 5.179 2.178 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.146 1.120 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.603 0.900 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.732 2.106 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.515 3.133 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.156 4.200 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.973 4.385 -2.619 1.00 0.00 H new ATOM 367 N SER A 26 2.586 6.417 -2.012 1.00 0.00 N ATOM 368 CA SER A 26 1.546 7.437 -2.077 1.00 0.00 C ATOM 369 C SER A 26 0.656 7.228 -3.299 1.00 0.00 C ATOM 370 O SER A 26 0.743 7.969 -4.279 1.00 0.00 O ATOM 371 CB SER A 26 2.171 8.832 -2.120 1.00 0.00 C ATOM 372 OG SER A 26 2.954 9.004 -3.288 1.00 0.00 O ATOM 0 H SER A 26 3.305 6.502 -2.730 1.00 0.00 H new ATOM 0 HA SER A 26 0.931 7.350 -1.181 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.385 9.587 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.792 8.983 -1.237 1.00 0.00 H new ATOM 0 HG SER A 26 2.416 8.785 -4.078 1.00 0.00 H new ATOM 378 N LEU A 27 -0.199 6.214 -3.234 1.00 0.00 N ATOM 379 CA LEU A 27 -1.106 5.905 -4.334 1.00 0.00 C ATOM 380 C LEU A 27 -2.165 6.992 -4.488 1.00 0.00 C ATOM 381 O LEU A 27 -2.506 7.680 -3.526 1.00 0.00 O ATOM 382 CB LEU A 27 -1.779 4.551 -4.103 1.00 0.00 C ATOM 383 CG LEU A 27 -0.864 3.419 -3.632 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.644 2.119 -3.510 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.310 3.251 -4.586 1.00 0.00 C ATOM 0 H LEU A 27 -0.284 5.591 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.521 5.860 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.571 4.682 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.257 4.242 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.473 3.678 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.977 1.325 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.451 2.245 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.064 1.854 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.951 2.442 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.062 3.014 -5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.884 4.177 -4.624 1.00 0.00 H new ATOM 397 N GLN A 28 -2.683 7.139 -5.703 1.00 0.00 N ATOM 398 CA GLN A 28 -3.705 8.142 -5.981 1.00 0.00 C ATOM 399 C GLN A 28 -5.058 7.485 -6.230 1.00 0.00 C ATOM 400 O GLN A 28 -5.133 6.375 -6.757 1.00 0.00 O ATOM 401 CB GLN A 28 -3.304 8.986 -7.192 1.00 0.00 C ATOM 402 CG GLN A 28 -4.038 10.315 -7.277 1.00 0.00 C ATOM 403 CD GLN A 28 -3.581 11.160 -8.449 1.00 0.00 C ATOM 404 OE1 GLN A 28 -2.602 10.834 -9.121 1.00 0.00 O ATOM 405 NE2 GLN A 28 -4.290 12.255 -8.702 1.00 0.00 N ATOM 0 H GLN A 28 -2.412 6.577 -6.510 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.791 8.789 -5.108 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.231 9.175 -7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.495 8.416 -8.101 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.109 10.130 -7.363 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.884 10.870 -6.352 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.094 12.488 -8.120 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.030 12.863 -9.479 1.00 0.00 H new ATOM 414 N ALA A 29 -6.126 8.177 -5.848 1.00 0.00 N ATOM 415 CA ALA A 29 -7.477 7.662 -6.031 1.00 0.00 C ATOM 416 C ALA A 29 -7.733 7.300 -7.490 1.00 0.00 C ATOM 417 O ALA A 29 -7.668 8.156 -8.372 1.00 0.00 O ATOM 418 CB ALA A 29 -8.500 8.680 -5.550 1.00 0.00 C ATOM 0 H ALA A 29 -6.082 9.097 -5.409 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.577 6.754 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.505 8.282 -5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.338 8.886 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.391 9.603 -6.120 1.00 0.00 H new ATOM 424 N GLY A 30 -8.024 6.027 -7.737 1.00 0.00 N ATOM 425 CA GLY A 30 -8.285 5.575 -9.092 1.00 0.00 C ATOM 426 C GLY A 30 -7.107 4.836 -9.693 1.00 0.00 C ATOM 427 O GLY A 30 -7.275 4.018 -10.597 1.00 0.00 O ATOM 0 H GLY A 30 -8.084 5.300 -7.024 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.158 4.922 -9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.529 6.434 -9.718 1.00 0.00 H new ATOM 431 N GLU A 31 -5.910 5.125 -9.192 1.00 0.00 N ATOM 432 CA GLU A 31 -4.699 4.483 -9.688 1.00 0.00 C ATOM 433 C GLU A 31 -4.813 2.963 -9.599 1.00 0.00 C ATOM 434 O GLU A 31 -5.560 2.433 -8.777 1.00 0.00 O ATOM 435 CB GLU A 31 -3.480 4.960 -8.896 1.00 0.00 C ATOM 436 CG GLU A 31 -2.191 4.957 -9.701 1.00 0.00 C ATOM 437 CD GLU A 31 -2.255 5.871 -10.910 1.00 0.00 C ATOM 438 OE1 GLU A 31 -2.606 7.057 -10.737 1.00 0.00 O ATOM 439 OE2 GLU A 31 -1.955 5.401 -12.027 1.00 0.00 O ATOM 0 H GLU A 31 -5.753 5.800 -8.443 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.575 4.761 -10.735 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.667 5.969 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.353 4.322 -8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.366 5.267 -9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.975 3.941 -10.030 1.00 0.00 H new ATOM 446 N VAL A 32 -4.067 2.269 -10.453 1.00 0.00 N ATOM 447 CA VAL A 32 -4.084 0.811 -10.471 1.00 0.00 C ATOM 448 C VAL A 32 -2.742 0.241 -10.026 1.00 0.00 C ATOM 449 O VAL A 32 -1.685 0.711 -10.446 1.00 0.00 O ATOM 450 CB VAL A 32 -4.418 0.271 -11.875 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.491 -1.248 -11.859 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.722 0.871 -12.379 1.00 0.00 C ATOM 0 H VAL A 32 -3.444 2.692 -11.141 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.860 0.494 -9.774 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.621 0.565 -12.558 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.728 -1.611 -12.859 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.531 -1.655 -11.543 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.267 -1.568 -11.164 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.943 0.479 -13.372 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.531 0.609 -11.697 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.628 1.956 -12.430 1.00 0.00 H new ATOM 462 N VAL A 33 -2.791 -0.777 -9.172 1.00 0.00 N ATOM 463 CA VAL A 33 -1.580 -1.414 -8.671 1.00 0.00 C ATOM 464 C VAL A 33 -1.607 -2.918 -8.916 1.00 0.00 C ATOM 465 O VAL A 33 -2.541 -3.441 -9.524 1.00 0.00 O ATOM 466 CB VAL A 33 -1.392 -1.154 -7.164 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.257 0.336 -6.892 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.549 -1.746 -6.373 1.00 0.00 C ATOM 0 H VAL A 33 -3.657 -1.178 -8.813 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.744 -0.976 -9.216 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.473 -1.643 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.125 0.500 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.392 0.727 -7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.157 0.850 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.400 -1.553 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.483 -1.288 -6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.594 -2.822 -6.544 1.00 0.00 H new ATOM 478 N ASP A 34 -0.578 -3.609 -8.439 1.00 0.00 N ATOM 479 CA ASP A 34 -0.484 -5.055 -8.605 1.00 0.00 C ATOM 480 C ASP A 34 -0.172 -5.735 -7.276 1.00 0.00 C ATOM 481 O ASP A 34 0.938 -5.623 -6.754 1.00 0.00 O ATOM 482 CB ASP A 34 0.592 -5.402 -9.635 1.00 0.00 C ATOM 483 CG ASP A 34 0.114 -5.206 -11.060 1.00 0.00 C ATOM 484 OD1 ASP A 34 -0.242 -4.062 -11.414 1.00 0.00 O ATOM 485 OD2 ASP A 34 0.095 -6.195 -11.822 1.00 0.00 O ATOM 0 H ASP A 34 0.203 -3.191 -7.934 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.448 -5.419 -8.961 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.471 -4.781 -9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.901 -6.438 -9.498 1.00 0.00 H new ATOM 490 N VAL A 35 -1.158 -6.441 -6.732 1.00 0.00 N ATOM 491 CA VAL A 35 -0.990 -7.139 -5.463 1.00 0.00 C ATOM 492 C VAL A 35 -0.048 -8.329 -5.613 1.00 0.00 C ATOM 493 O VAL A 35 -0.379 -9.317 -6.269 1.00 0.00 O ATOM 494 CB VAL A 35 -2.340 -7.634 -4.911 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.156 -8.264 -3.539 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.341 -6.490 -4.851 1.00 0.00 C ATOM 0 H VAL A 35 -2.082 -6.545 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.560 -6.423 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.732 -8.396 -5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.120 -8.608 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.474 -9.110 -3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.742 -7.526 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.290 -6.857 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.958 -5.705 -4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.494 -6.087 -5.852 1.00 0.00 H new ATOM 506 N ILE A 36 1.127 -8.227 -4.999 1.00 0.00 N ATOM 507 CA ILE A 36 2.116 -9.296 -5.063 1.00 0.00 C ATOM 508 C ILE A 36 1.895 -10.316 -3.951 1.00 0.00 C ATOM 509 O ILE A 36 1.817 -11.518 -4.205 1.00 0.00 O ATOM 510 CB ILE A 36 3.549 -8.743 -4.958 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.810 -7.727 -6.073 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.561 -9.877 -5.021 1.00 0.00 C ATOM 513 CD1 ILE A 36 5.141 -7.020 -5.948 1.00 0.00 C ATOM 0 H ILE A 36 1.417 -7.416 -4.452 1.00 0.00 H new ATOM 0 HA ILE A 36 1.993 -9.783 -6.030 1.00 0.00 H new ATOM 0 HB ILE A 36 3.658 -8.238 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.768 -8.237 -7.035 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.012 -6.985 -6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.569 -9.470 -4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.386 -10.567 -4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.454 -10.408 -5.967 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.258 -6.316 -6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.179 -6.481 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.947 -7.753 -5.981 1.00 0.00 H new ATOM 525 N GLU A 37 1.793 -9.828 -2.719 1.00 0.00 N ATOM 526 CA GLU A 37 1.579 -10.698 -1.568 1.00 0.00 C ATOM 527 C GLU A 37 0.502 -10.130 -0.649 1.00 0.00 C ATOM 528 O GLU A 37 -0.044 -9.057 -0.903 1.00 0.00 O ATOM 529 CB GLU A 37 2.884 -10.882 -0.791 1.00 0.00 C ATOM 530 CG GLU A 37 3.714 -12.064 -1.265 1.00 0.00 C ATOM 531 CD GLU A 37 3.143 -13.395 -0.816 1.00 0.00 C ATOM 532 OE1 GLU A 37 3.045 -13.617 0.408 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.794 -14.215 -1.691 1.00 0.00 O ATOM 0 H GLU A 37 1.855 -8.836 -2.492 1.00 0.00 H new ATOM 0 HA GLU A 37 1.243 -11.668 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.479 -9.973 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.652 -11.012 0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.775 -12.047 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.732 -11.963 -0.887 1.00 0.00 H new ATOM 540 N LYS A 38 0.202 -10.859 0.421 1.00 0.00 N ATOM 541 CA LYS A 38 -0.809 -10.429 1.380 1.00 0.00 C ATOM 542 C LYS A 38 -0.404 -10.805 2.802 1.00 0.00 C ATOM 543 O LYS A 38 0.228 -11.837 3.025 1.00 0.00 O ATOM 544 CB LYS A 38 -2.163 -11.057 1.041 1.00 0.00 C ATOM 545 CG LYS A 38 -2.646 -10.740 -0.363 1.00 0.00 C ATOM 546 CD LYS A 38 -3.843 -11.593 -0.747 1.00 0.00 C ATOM 547 CE LYS A 38 -4.114 -11.533 -2.243 1.00 0.00 C ATOM 548 NZ LYS A 38 -4.984 -12.654 -2.695 1.00 0.00 N ATOM 0 H LYS A 38 0.645 -11.750 0.646 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.893 -9.344 1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.091 -12.139 1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.906 -10.709 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.914 -9.685 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.836 -10.907 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.665 -12.626 -0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.724 -11.252 -0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.589 -10.583 -2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.169 -11.566 -2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.145 -12.577 -3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.520 -13.560 -2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.896 -12.608 -2.197 1.00 0.00 H new ATOM 562 N ASN A 39 -0.774 -9.962 3.760 1.00 0.00 N ATOM 563 CA ASN A 39 -0.449 -10.207 5.161 1.00 0.00 C ATOM 564 C ASN A 39 -1.713 -10.469 5.974 1.00 0.00 C ATOM 565 O ASN A 39 -2.722 -9.783 5.810 1.00 0.00 O ATOM 566 CB ASN A 39 0.309 -9.014 5.747 1.00 0.00 C ATOM 567 CG ASN A 39 1.094 -9.382 6.991 1.00 0.00 C ATOM 568 OD1 ASN A 39 1.018 -10.512 7.475 1.00 0.00 O ATOM 569 ND2 ASN A 39 1.853 -8.427 7.516 1.00 0.00 N ATOM 0 H ASN A 39 -1.299 -9.104 3.592 1.00 0.00 H new ATOM 0 HA ASN A 39 0.185 -11.092 5.212 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.990 -8.615 4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.398 -8.221 5.989 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.403 -8.616 8.354 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.886 -7.505 7.081 1.00 0.00 H new ATOM 576 N GLU A 40 -1.650 -11.466 6.852 1.00 0.00 N ATOM 577 CA GLU A 40 -2.790 -11.818 7.690 1.00 0.00 C ATOM 578 C GLU A 40 -3.322 -10.592 8.428 1.00 0.00 C ATOM 579 O GLU A 40 -4.528 -10.453 8.633 1.00 0.00 O ATOM 580 CB GLU A 40 -2.396 -12.901 8.697 1.00 0.00 C ATOM 581 CG GLU A 40 -2.439 -14.308 8.125 1.00 0.00 C ATOM 582 CD GLU A 40 -1.972 -15.356 9.116 1.00 0.00 C ATOM 583 OE1 GLU A 40 -1.300 -14.982 10.100 1.00 0.00 O ATOM 584 OE2 GLU A 40 -2.278 -16.548 8.908 1.00 0.00 O ATOM 0 H GLU A 40 -0.822 -12.043 7.001 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.579 -12.202 7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.390 -12.697 9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.064 -12.847 9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.458 -14.538 7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.814 -14.353 7.233 1.00 0.00 H new ATOM 591 N SER A 41 -2.413 -9.707 8.825 1.00 0.00 N ATOM 592 CA SER A 41 -2.790 -8.495 9.543 1.00 0.00 C ATOM 593 C SER A 41 -3.714 -7.626 8.696 1.00 0.00 C ATOM 594 O SER A 41 -4.583 -6.930 9.220 1.00 0.00 O ATOM 595 CB SER A 41 -1.542 -7.701 9.936 1.00 0.00 C ATOM 596 OG SER A 41 -1.001 -7.017 8.819 1.00 0.00 O ATOM 0 H SER A 41 -1.411 -9.806 8.662 1.00 0.00 H new ATOM 0 HA SER A 41 -3.325 -8.789 10.446 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.794 -6.985 10.718 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.793 -8.376 10.351 1.00 0.00 H new ATOM 0 HG SER A 41 -0.206 -6.516 9.096 1.00 0.00 H new ATOM 602 N GLY A 42 -3.519 -7.672 7.382 1.00 0.00 N ATOM 603 CA GLY A 42 -4.342 -6.885 6.482 1.00 0.00 C ATOM 604 C GLY A 42 -3.517 -6.081 5.496 1.00 0.00 C ATOM 605 O GLY A 42 -4.014 -5.679 4.444 1.00 0.00 O ATOM 0 H GLY A 42 -2.806 -8.240 6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.013 -7.548 5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.968 -6.209 7.064 1.00 0.00 H new ATOM 609 N TRP A 43 -2.255 -5.845 5.837 1.00 0.00 N ATOM 610 CA TRP A 43 -1.360 -5.082 4.974 1.00 0.00 C ATOM 611 C TRP A 43 -0.997 -5.879 3.726 1.00 0.00 C ATOM 612 O TRP A 43 -0.459 -6.982 3.818 1.00 0.00 O ATOM 613 CB TRP A 43 -0.091 -4.696 5.735 1.00 0.00 C ATOM 614 CG TRP A 43 -0.300 -3.578 6.711 1.00 0.00 C ATOM 615 CD1 TRP A 43 -0.792 -3.679 7.980 1.00 0.00 C ATOM 616 CD2 TRP A 43 -0.024 -2.190 6.494 1.00 0.00 C ATOM 617 NE1 TRP A 43 -0.839 -2.437 8.567 1.00 0.00 N ATOM 618 CE2 TRP A 43 -0.373 -1.507 7.676 1.00 0.00 C ATOM 619 CE3 TRP A 43 0.485 -1.457 5.419 1.00 0.00 C ATOM 620 CZ2 TRP A 43 -0.229 -0.128 7.809 1.00 0.00 C ATOM 621 CZ3 TRP A 43 0.627 -0.089 5.552 1.00 0.00 C ATOM 622 CH2 TRP A 43 0.272 0.564 6.740 1.00 0.00 C ATOM 0 H TRP A 43 -1.829 -6.171 6.704 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.879 -4.175 4.665 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.284 -5.569 6.269 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.679 -4.405 5.020 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.099 -4.600 8.454 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -1.167 -2.240 9.512 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.763 -1.951 4.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.503 0.377 8.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.018 0.487 4.726 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.396 1.634 6.813 1.00 0.00 H new ATOM 633 N TRP A 44 -1.295 -5.313 2.562 1.00 0.00 N ATOM 634 CA TRP A 44 -0.999 -5.972 1.294 1.00 0.00 C ATOM 635 C TRP A 44 0.220 -5.345 0.626 1.00 0.00 C ATOM 636 O TRP A 44 0.463 -4.145 0.756 1.00 0.00 O ATOM 637 CB TRP A 44 -2.206 -5.891 0.360 1.00 0.00 C ATOM 638 CG TRP A 44 -3.309 -6.835 0.731 1.00 0.00 C ATOM 639 CD1 TRP A 44 -3.595 -7.311 1.978 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.272 -7.419 -0.154 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.678 -8.156 1.922 1.00 0.00 N ATOM 642 CE2 TRP A 44 -5.112 -8.238 0.626 1.00 0.00 C ATOM 643 CE3 TRP A 44 -4.507 -7.328 -1.528 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -6.167 -8.960 0.075 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -5.555 -8.046 -2.074 1.00 0.00 C ATOM 646 CH2 TRP A 44 -6.374 -8.853 -1.273 1.00 0.00 C ATOM 0 H TRP A 44 -1.741 -4.400 2.469 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.778 -7.019 1.500 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.593 -4.872 0.365 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.883 -6.104 -0.659 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.051 -7.061 2.876 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.091 -8.643 2.717 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.881 -6.708 -2.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.800 -9.583 0.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.745 -7.984 -3.135 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.185 -9.402 -1.729 1.00 0.00 H new ATOM 657 N PHE A 45 0.985 -6.164 -0.089 1.00 0.00 N ATOM 658 CA PHE A 45 2.179 -5.689 -0.777 1.00 0.00 C ATOM 659 C PHE A 45 1.898 -5.458 -2.258 1.00 0.00 C ATOM 660 O PHE A 45 1.755 -6.406 -3.030 1.00 0.00 O ATOM 661 CB PHE A 45 3.321 -6.694 -0.614 1.00 0.00 C ATOM 662 CG PHE A 45 4.618 -6.231 -1.213 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.092 -4.952 -0.968 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.363 -7.074 -2.022 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.285 -4.522 -1.518 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.557 -6.650 -2.574 1.00 0.00 C ATOM 667 CZ PHE A 45 7.018 -5.372 -2.323 1.00 0.00 C ATOM 0 H PHE A 45 0.799 -7.160 -0.207 1.00 0.00 H new ATOM 0 HA PHE A 45 2.472 -4.740 -0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.471 -6.892 0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.033 -7.638 -1.077 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.522 -4.283 -0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.007 -8.073 -2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.643 -3.523 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.129 -7.317 -3.201 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.950 -5.038 -2.755 1.00 0.00 H new ATOM 677 N VAL A 46 1.819 -4.189 -2.648 1.00 0.00 N ATOM 678 CA VAL A 46 1.555 -3.832 -4.037 1.00 0.00 C ATOM 679 C VAL A 46 2.807 -3.282 -4.711 1.00 0.00 C ATOM 680 O VAL A 46 3.779 -2.928 -4.043 1.00 0.00 O ATOM 681 CB VAL A 46 0.428 -2.787 -4.143 1.00 0.00 C ATOM 682 CG1 VAL A 46 -0.839 -3.299 -3.475 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.867 -1.466 -3.531 1.00 0.00 C ATOM 0 H VAL A 46 1.934 -3.392 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 46 1.244 -4.745 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 46 0.211 -2.618 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.624 -2.548 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.162 -4.218 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.640 -3.499 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.059 -0.740 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.113 -1.616 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.745 -1.094 -4.059 1.00 0.00 H new ATOM 693 N SER A 47 2.777 -3.214 -6.038 1.00 0.00 N ATOM 694 CA SER A 47 3.912 -2.710 -6.803 1.00 0.00 C ATOM 695 C SER A 47 3.440 -1.855 -7.975 1.00 0.00 C ATOM 696 O SER A 47 2.616 -2.286 -8.782 1.00 0.00 O ATOM 697 CB SER A 47 4.765 -3.873 -7.316 1.00 0.00 C ATOM 698 OG SER A 47 5.476 -3.506 -8.485 1.00 0.00 O ATOM 0 H SER A 47 1.980 -3.501 -6.606 1.00 0.00 H new ATOM 0 HA SER A 47 4.517 -2.089 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.467 -4.183 -6.542 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.127 -4.730 -7.529 1.00 0.00 H new ATOM 0 HG SER A 47 5.597 -4.294 -9.055 1.00 0.00 H new ATOM 704 N THR A 48 3.969 -0.638 -8.062 1.00 0.00 N ATOM 705 CA THR A 48 3.603 0.279 -9.134 1.00 0.00 C ATOM 706 C THR A 48 4.781 0.535 -10.066 1.00 0.00 C ATOM 707 O THR A 48 5.928 0.245 -9.726 1.00 0.00 O ATOM 708 CB THR A 48 3.104 1.625 -8.574 1.00 0.00 C ATOM 709 OG1 THR A 48 4.202 2.369 -8.035 1.00 0.00 O ATOM 710 CG2 THR A 48 2.053 1.406 -7.496 1.00 0.00 C ATOM 0 H THR A 48 4.652 -0.265 -7.403 1.00 0.00 H new ATOM 0 HA THR A 48 2.797 -0.195 -9.695 1.00 0.00 H new ATOM 0 HB THR A 48 2.652 2.188 -9.390 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.700 1.807 -7.406 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.716 2.370 -7.116 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.206 0.866 -7.918 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.484 0.825 -6.681 1.00 0.00 H new ATOM 718 N SER A 49 4.492 1.081 -11.243 1.00 0.00 N ATOM 719 CA SER A 49 5.528 1.373 -12.226 1.00 0.00 C ATOM 720 C SER A 49 6.611 2.264 -11.625 1.00 0.00 C ATOM 721 O SER A 49 7.780 2.176 -11.999 1.00 0.00 O ATOM 722 CB SER A 49 4.919 2.050 -13.455 1.00 0.00 C ATOM 723 OG SER A 49 4.346 1.096 -14.331 1.00 0.00 O ATOM 0 H SER A 49 3.548 1.330 -11.539 1.00 0.00 H new ATOM 0 HA SER A 49 5.983 0.430 -12.528 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.157 2.764 -13.141 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.688 2.616 -13.981 1.00 0.00 H new ATOM 0 HG SER A 49 3.962 1.554 -15.108 1.00 0.00 H new ATOM 729 N GLU A 50 6.212 3.122 -10.691 1.00 0.00 N ATOM 730 CA GLU A 50 7.148 4.030 -10.039 1.00 0.00 C ATOM 731 C GLU A 50 8.001 3.288 -9.014 1.00 0.00 C ATOM 732 O GLU A 50 9.217 3.181 -9.165 1.00 0.00 O ATOM 733 CB GLU A 50 6.393 5.174 -9.358 1.00 0.00 C ATOM 734 CG GLU A 50 5.739 6.137 -10.334 1.00 0.00 C ATOM 735 CD GLU A 50 4.783 7.097 -9.653 1.00 0.00 C ATOM 736 OE1 GLU A 50 4.976 7.374 -8.451 1.00 0.00 O ATOM 737 OE2 GLU A 50 3.841 7.572 -10.322 1.00 0.00 O ATOM 0 H GLU A 50 5.248 3.207 -10.369 1.00 0.00 H new ATOM 0 HA GLU A 50 7.806 4.443 -10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.627 4.755 -8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.085 5.727 -8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.512 6.705 -10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.200 5.570 -11.092 1.00 0.00 H new ATOM 744 N GLU A 51 7.353 2.779 -7.971 1.00 0.00 N ATOM 745 CA GLU A 51 8.052 2.048 -6.920 1.00 0.00 C ATOM 746 C GLU A 51 7.133 1.018 -6.270 1.00 0.00 C ATOM 747 O GLU A 51 5.957 0.916 -6.615 1.00 0.00 O ATOM 748 CB GLU A 51 8.581 3.017 -5.860 1.00 0.00 C ATOM 749 CG GLU A 51 9.728 3.885 -6.348 1.00 0.00 C ATOM 750 CD GLU A 51 10.923 3.071 -6.806 1.00 0.00 C ATOM 751 OE1 GLU A 51 11.128 1.963 -6.269 1.00 0.00 O ATOM 752 OE2 GLU A 51 11.654 3.543 -7.702 1.00 0.00 O ATOM 0 H GLU A 51 6.346 2.859 -7.831 1.00 0.00 H new ATOM 0 HA GLU A 51 8.892 1.524 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.766 3.660 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.912 2.447 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.381 4.509 -7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.036 4.557 -5.547 1.00 0.00 H new ATOM 759 N GLN A 52 7.681 0.257 -5.328 1.00 0.00 N ATOM 760 CA GLN A 52 6.911 -0.766 -4.630 1.00 0.00 C ATOM 761 C GLN A 52 6.867 -0.487 -3.131 1.00 0.00 C ATOM 762 O GLN A 52 7.834 0.008 -2.553 1.00 0.00 O ATOM 763 CB GLN A 52 7.512 -2.150 -4.886 1.00 0.00 C ATOM 764 CG GLN A 52 7.785 -2.432 -6.354 1.00 0.00 C ATOM 765 CD GLN A 52 8.397 -3.800 -6.581 1.00 0.00 C ATOM 766 OE1 GLN A 52 9.196 -4.278 -5.776 1.00 0.00 O ATOM 767 NE2 GLN A 52 8.023 -4.441 -7.683 1.00 0.00 N ATOM 0 H GLN A 52 8.654 0.329 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 52 5.892 -0.743 -5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.444 -2.241 -4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.833 -2.909 -4.499 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.853 -2.358 -6.914 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.455 -1.668 -6.748 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.358 -4.008 -8.324 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.401 -5.366 -7.888 1.00 0.00 H new ATOM 776 N GLY A 53 5.738 -0.809 -2.507 1.00 0.00 N ATOM 777 CA GLY A 53 5.589 -0.585 -1.081 1.00 0.00 C ATOM 778 C GLY A 53 4.444 -1.380 -0.486 1.00 0.00 C ATOM 779 O GLY A 53 3.799 -2.167 -1.179 1.00 0.00 O ATOM 0 H GLY A 53 4.924 -1.221 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.516 -0.855 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.424 0.477 -0.898 1.00 0.00 H new ATOM 783 N TRP A 54 4.192 -1.177 0.802 1.00 0.00 N ATOM 784 CA TRP A 54 3.117 -1.883 1.491 1.00 0.00 C ATOM 785 C TRP A 54 1.989 -0.927 1.864 1.00 0.00 C ATOM 786 O TRP A 54 2.227 0.136 2.438 1.00 0.00 O ATOM 787 CB TRP A 54 3.655 -2.572 2.747 1.00 0.00 C ATOM 788 CG TRP A 54 4.567 -3.723 2.448 1.00 0.00 C ATOM 789 CD1 TRP A 54 5.843 -3.655 1.968 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.271 -5.115 2.609 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.358 -4.920 1.820 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.414 -5.833 2.208 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.152 -5.824 3.055 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.467 -7.224 2.239 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.207 -7.204 3.085 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.358 -7.892 2.680 1.00 0.00 C ATOM 0 H TRP A 54 4.717 -0.530 1.390 1.00 0.00 H new ATOM 0 HA TRP A 54 2.719 -2.638 0.813 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.191 -1.841 3.353 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.816 -2.928 3.345 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.370 -2.741 1.738 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.292 -5.143 1.477 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.261 -5.302 3.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.353 -7.757 1.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.348 -7.762 3.427 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.370 -8.971 2.717 1.00 0.00 H new ATOM 807 N VAL A 55 0.760 -1.312 1.535 1.00 0.00 N ATOM 808 CA VAL A 55 -0.405 -0.490 1.837 1.00 0.00 C ATOM 809 C VAL A 55 -1.555 -1.339 2.368 1.00 0.00 C ATOM 810 O VAL A 55 -1.641 -2.540 2.113 1.00 0.00 O ATOM 811 CB VAL A 55 -0.883 0.284 0.594 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.012 1.486 0.335 1.00 0.00 C ATOM 813 CG2 VAL A 55 -0.924 -0.632 -0.620 1.00 0.00 C ATOM 0 H VAL A 55 0.546 -2.188 1.059 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.100 0.222 2.604 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.893 0.648 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.342 2.020 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.015 2.152 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.035 1.149 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.264 -0.069 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.074 -1.028 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.611 -1.457 -0.431 1.00 0.00 H new ATOM 823 N PRO A 56 -2.461 -0.702 3.124 1.00 0.00 N ATOM 824 CA PRO A 56 -3.623 -1.379 3.706 1.00 0.00 C ATOM 825 C PRO A 56 -4.646 -1.786 2.650 1.00 0.00 C ATOM 826 O PRO A 56 -4.875 -1.061 1.682 1.00 0.00 O ATOM 827 CB PRO A 56 -4.215 -0.325 4.645 1.00 0.00 C ATOM 828 CG PRO A 56 -3.773 0.979 4.076 1.00 0.00 C ATOM 829 CD PRO A 56 -2.421 0.729 3.468 1.00 0.00 C ATOM 0 HA PRO A 56 -3.345 -2.307 4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.302 -0.393 4.681 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.853 -0.455 5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.478 1.336 3.326 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.717 1.744 4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.256 1.350 2.587 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.617 0.951 4.170 1.00 0.00 H new ATOM 837 N ALA A 57 -5.258 -2.950 2.843 1.00 0.00 N ATOM 838 CA ALA A 57 -6.257 -3.452 1.908 1.00 0.00 C ATOM 839 C ALA A 57 -7.444 -2.499 1.811 1.00 0.00 C ATOM 840 O ALA A 57 -8.121 -2.436 0.784 1.00 0.00 O ATOM 841 CB ALA A 57 -6.723 -4.838 2.328 1.00 0.00 C ATOM 0 H ALA A 57 -5.079 -3.563 3.639 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.796 -3.519 0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.469 -5.201 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.873 -5.520 2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.162 -4.788 3.325 1.00 0.00 H new ATOM 847 N THR A 58 -7.693 -1.759 2.887 1.00 0.00 N ATOM 848 CA THR A 58 -8.800 -0.811 2.923 1.00 0.00 C ATOM 849 C THR A 58 -8.690 0.206 1.792 1.00 0.00 C ATOM 850 O THR A 58 -9.693 0.766 1.350 1.00 0.00 O ATOM 851 CB THR A 58 -8.854 -0.062 4.268 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.527 0.200 4.737 1.00 0.00 O ATOM 853 CG2 THR A 58 -9.614 -0.872 5.308 1.00 0.00 C ATOM 0 H THR A 58 -7.143 -1.798 3.745 1.00 0.00 H new ATOM 0 HA THR A 58 -9.716 -1.389 2.800 1.00 0.00 H new ATOM 0 HB THR A 58 -9.376 0.882 4.112 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.570 0.678 5.592 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.639 -0.323 6.249 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.633 -1.045 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.115 -1.829 5.459 1.00 0.00 H new ATOM 861 N TYR A 59 -7.467 0.438 1.329 1.00 0.00 N ATOM 862 CA TYR A 59 -7.227 1.390 0.251 1.00 0.00 C ATOM 863 C TYR A 59 -7.147 0.677 -1.096 1.00 0.00 C ATOM 864 O TYR A 59 -6.485 1.147 -2.023 1.00 0.00 O ATOM 865 CB TYR A 59 -5.934 2.166 0.506 1.00 0.00 C ATOM 866 CG TYR A 59 -6.108 3.339 1.445 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.318 3.141 2.804 1.00 0.00 C ATOM 868 CD2 TYR A 59 -6.061 4.645 0.973 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.478 4.209 3.665 1.00 0.00 C ATOM 870 CE2 TYR A 59 -6.218 5.719 1.827 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.427 5.496 3.172 1.00 0.00 C ATOM 872 OH TYR A 59 -6.584 6.563 4.026 1.00 0.00 O ATOM 0 H TYR A 59 -6.627 -0.020 1.683 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.063 2.089 0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.188 1.487 0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.543 2.527 -0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.357 2.135 3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.899 4.823 -0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.642 4.037 4.719 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.177 6.728 1.444 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.520 7.400 3.519 1.00 0.00 H new ATOM 882 N LEU A 60 -7.828 -0.459 -1.198 1.00 0.00 N ATOM 883 CA LEU A 60 -7.836 -1.238 -2.431 1.00 0.00 C ATOM 884 C LEU A 60 -9.213 -1.845 -2.683 1.00 0.00 C ATOM 885 O LEU A 60 -9.894 -2.269 -1.750 1.00 0.00 O ATOM 886 CB LEU A 60 -6.783 -2.345 -2.366 1.00 0.00 C ATOM 887 CG LEU A 60 -5.376 -1.910 -1.954 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.486 -3.122 -1.730 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.773 -0.990 -3.006 1.00 0.00 C ATOM 0 H LEU A 60 -8.382 -0.861 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.598 -0.567 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.127 -3.105 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.723 -2.819 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.447 -1.359 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.489 -2.792 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.909 -3.743 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.421 -3.701 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.772 -0.690 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.716 -1.515 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.399 -0.104 -3.117 1.00 0.00 H new ATOM 901 N GLU A 61 -9.615 -1.884 -3.949 1.00 0.00 N ATOM 902 CA GLU A 61 -10.910 -2.440 -4.323 1.00 0.00 C ATOM 903 C GLU A 61 -10.760 -3.461 -5.447 1.00 0.00 C ATOM 904 O GLU A 61 -9.961 -3.276 -6.365 1.00 0.00 O ATOM 905 CB GLU A 61 -11.864 -1.324 -4.756 1.00 0.00 C ATOM 906 CG GLU A 61 -13.327 -1.733 -4.736 1.00 0.00 C ATOM 907 CD GLU A 61 -14.261 -0.571 -5.015 1.00 0.00 C ATOM 908 OE1 GLU A 61 -13.899 0.296 -5.838 1.00 0.00 O ATOM 909 OE2 GLU A 61 -15.353 -0.529 -4.411 1.00 0.00 O ATOM 0 H GLU A 61 -9.063 -1.537 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.325 -2.945 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.727 -0.465 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.599 -1.001 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.492 -2.514 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.567 -2.162 -3.763 1.00 0.00 H new ATOM 916 N ALA A 62 -11.534 -4.538 -5.367 1.00 0.00 N ATOM 917 CA ALA A 62 -11.489 -5.588 -6.377 1.00 0.00 C ATOM 918 C ALA A 62 -12.102 -5.113 -7.690 1.00 0.00 C ATOM 919 O ALA A 62 -13.322 -5.021 -7.818 1.00 0.00 O ATOM 920 CB ALA A 62 -12.207 -6.833 -5.878 1.00 0.00 C ATOM 0 H ALA A 62 -12.200 -4.706 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.443 -5.835 -6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.165 -7.608 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.723 -7.193 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.248 -6.591 -5.663 1.00 0.00 H new