USER MOD reduce.3.24.130724 H: found=0, std=0, add=362, rem=0, adj=11 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 11 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot -131:sc= 0.713 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.571 F(o=-1.6!,f=-0.57) USER MOD Single : A 17 TYR OH : rot 55:sc= -0.357 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-0.00822 K(o=-0.0082,f=-0.75) USER MOD Single : A 39 ASN : amide:sc= -0.899 K(o=-0.9,f=-2.9!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.738 USER MOD Single : A 48 THR OG1 : rot -59:sc= 1.42 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.15 K(o=-1.2,f=-2) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.258 -12.268 -10.971 1.00 0.00 N ATOM 67 CA LEU A 8 -0.698 -11.570 -9.768 1.00 0.00 C ATOM 68 C LEU A 8 -2.067 -10.931 -9.980 1.00 0.00 C ATOM 69 O LEU A 8 -2.523 -10.780 -11.113 1.00 0.00 O ATOM 70 CB LEU A 8 0.321 -10.501 -9.373 1.00 0.00 C ATOM 71 CG LEU A 8 1.726 -11.004 -9.037 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.692 -9.837 -8.901 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.705 -11.832 -7.761 1.00 0.00 C ATOM 0 HA LEU A 8 -0.779 -12.300 -8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.399 -9.783 -10.189 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.066 -9.960 -8.509 1.00 0.00 H new ATOM 0 HG LEU A 8 2.068 -11.640 -9.853 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.686 -10.214 -8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.729 -9.284 -9.840 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.353 -9.175 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.713 -12.181 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.342 -11.219 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.045 -12.689 -7.894 1.00 0.00 H new ATOM 85 N GLU A 9 -2.715 -10.556 -8.882 1.00 0.00 N ATOM 86 CA GLU A 9 -4.032 -9.931 -8.949 1.00 0.00 C ATOM 87 C GLU A 9 -3.919 -8.413 -8.838 1.00 0.00 C ATOM 88 O GLU A 9 -3.385 -7.890 -7.861 1.00 0.00 O ATOM 89 CB GLU A 9 -4.933 -10.469 -7.835 1.00 0.00 C ATOM 90 CG GLU A 9 -5.119 -11.977 -7.878 1.00 0.00 C ATOM 91 CD GLU A 9 -3.956 -12.725 -7.256 1.00 0.00 C ATOM 92 OE1 GLU A 9 -3.904 -12.811 -6.011 1.00 0.00 O ATOM 93 OE2 GLU A 9 -3.099 -13.225 -8.013 1.00 0.00 O ATOM 0 H GLU A 9 -2.351 -10.674 -7.936 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.474 -10.176 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.509 -10.191 -6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.909 -9.989 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.038 -12.241 -7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.239 -12.295 -8.914 1.00 0.00 H new ATOM 100 N GLN A 10 -4.428 -7.714 -9.848 1.00 0.00 N ATOM 101 CA GLN A 10 -4.383 -6.256 -9.865 1.00 0.00 C ATOM 102 C GLN A 10 -5.545 -5.667 -9.072 1.00 0.00 C ATOM 103 O GLN A 10 -6.679 -6.137 -9.171 1.00 0.00 O ATOM 104 CB GLN A 10 -4.420 -5.741 -11.305 1.00 0.00 C ATOM 105 CG GLN A 10 -3.254 -6.222 -12.153 1.00 0.00 C ATOM 106 CD GLN A 10 -3.572 -6.225 -13.635 1.00 0.00 C ATOM 107 OE1 GLN A 10 -3.901 -7.264 -14.209 1.00 0.00 O ATOM 108 NE2 GLN A 10 -3.477 -5.059 -14.264 1.00 0.00 N ATOM 0 H GLN A 10 -4.875 -8.133 -10.664 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.450 -5.940 -9.397 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.353 -6.058 -11.772 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.424 -4.651 -11.292 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.390 -5.582 -11.972 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.976 -7.229 -11.843 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.201 -4.223 -13.749 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.680 -5.000 -15.262 1.00 0.00 H new ATOM 117 N TYR A 11 -5.255 -4.637 -8.285 1.00 0.00 N ATOM 118 CA TYR A 11 -6.275 -3.985 -7.472 1.00 0.00 C ATOM 119 C TYR A 11 -6.311 -2.484 -7.743 1.00 0.00 C ATOM 120 O TYR A 11 -5.288 -1.873 -8.052 1.00 0.00 O ATOM 121 CB TYR A 11 -6.015 -4.241 -5.987 1.00 0.00 C ATOM 122 CG TYR A 11 -6.688 -5.488 -5.460 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.402 -6.736 -6.000 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.609 -5.418 -4.422 1.00 0.00 C ATOM 125 CE1 TYR A 11 -7.015 -7.878 -5.522 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.226 -6.555 -3.937 1.00 0.00 C ATOM 127 CZ TYR A 11 -7.926 -7.782 -4.490 1.00 0.00 C ATOM 128 OH TYR A 11 -8.538 -8.918 -4.011 1.00 0.00 O ATOM 0 H TYR A 11 -4.322 -4.235 -8.193 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.243 -4.408 -7.742 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.940 -4.322 -5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.361 -3.381 -5.413 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.688 -6.814 -6.807 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.847 -4.458 -3.987 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.783 -8.840 -5.954 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.939 -6.483 -3.129 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.150 -8.678 -3.284 1.00 0.00 H new ATOM 138 N VAL A 12 -7.496 -1.895 -7.623 1.00 0.00 N ATOM 139 CA VAL A 12 -7.667 -0.465 -7.852 1.00 0.00 C ATOM 140 C VAL A 12 -7.739 0.298 -6.534 1.00 0.00 C ATOM 141 O VAL A 12 -8.360 -0.157 -5.574 1.00 0.00 O ATOM 142 CB VAL A 12 -8.939 -0.176 -8.671 1.00 0.00 C ATOM 143 CG1 VAL A 12 -10.177 -0.632 -7.913 1.00 0.00 C ATOM 144 CG2 VAL A 12 -9.028 1.304 -9.011 1.00 0.00 C ATOM 0 H VAL A 12 -8.353 -2.386 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.797 -0.128 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.885 -0.738 -9.604 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.066 -0.420 -8.507 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.114 -1.704 -7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.239 -0.100 -6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.933 1.491 -9.590 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.059 1.887 -8.091 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.156 1.596 -9.596 1.00 0.00 H new ATOM 154 N VAL A 13 -7.099 1.463 -6.495 1.00 0.00 N ATOM 155 CA VAL A 13 -7.092 2.291 -5.296 1.00 0.00 C ATOM 156 C VAL A 13 -8.442 2.969 -5.087 1.00 0.00 C ATOM 157 O VAL A 13 -9.149 3.276 -6.047 1.00 0.00 O ATOM 158 CB VAL A 13 -5.994 3.369 -5.364 1.00 0.00 C ATOM 159 CG1 VAL A 13 -5.891 4.112 -4.041 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.659 2.745 -5.740 1.00 0.00 C ATOM 0 H VAL A 13 -6.579 1.854 -7.281 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.888 1.628 -4.456 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.264 4.089 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.110 4.869 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.844 4.592 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.645 3.408 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.894 3.521 -5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.381 2.003 -4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.744 2.264 -6.714 1.00 0.00 H new ATOM 170 N VAL A 14 -8.794 3.199 -3.826 1.00 0.00 N ATOM 171 CA VAL A 14 -10.059 3.842 -3.491 1.00 0.00 C ATOM 172 C VAL A 14 -9.828 5.194 -2.825 1.00 0.00 C ATOM 173 O VAL A 14 -10.682 6.079 -2.881 1.00 0.00 O ATOM 174 CB VAL A 14 -10.907 2.960 -2.556 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.422 1.736 -3.299 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.100 2.550 -1.334 1.00 0.00 C ATOM 0 H VAL A 14 -8.221 2.950 -3.020 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.598 3.988 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.766 3.540 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.019 1.124 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.038 2.054 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.578 1.152 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.715 1.927 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.221 1.988 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.785 3.441 -0.791 1.00 0.00 H new ATOM 186 N SER A 15 -8.668 5.347 -2.196 1.00 0.00 N ATOM 187 CA SER A 15 -8.325 6.591 -1.515 1.00 0.00 C ATOM 188 C SER A 15 -6.880 6.986 -1.801 1.00 0.00 C ATOM 189 O SER A 15 -6.011 6.130 -1.961 1.00 0.00 O ATOM 190 CB SER A 15 -8.538 6.447 -0.007 1.00 0.00 C ATOM 191 OG SER A 15 -7.934 7.518 0.697 1.00 0.00 O ATOM 0 H SER A 15 -7.949 4.625 -2.143 1.00 0.00 H new ATOM 0 HA SER A 15 -8.979 7.376 -1.894 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.605 6.420 0.212 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.118 5.501 0.334 1.00 0.00 H new ATOM 0 HG SER A 15 -7.394 7.162 1.433 1.00 0.00 H new ATOM 197 N ASN A 16 -6.631 8.291 -1.864 1.00 0.00 N ATOM 198 CA ASN A 16 -5.291 8.801 -2.131 1.00 0.00 C ATOM 199 C ASN A 16 -4.382 8.601 -0.923 1.00 0.00 C ATOM 200 O ASN A 16 -4.210 9.505 -0.105 1.00 0.00 O ATOM 201 CB ASN A 16 -5.352 10.285 -2.497 1.00 0.00 C ATOM 202 CG ASN A 16 -6.207 11.084 -1.532 1.00 0.00 C ATOM 203 OD1 ASN A 16 -7.510 11.119 -1.785 1.00 0.00 O flip ATOM 204 ND2 ASN A 16 -5.701 11.663 -0.570 1.00 0.00 N flip ATOM 0 H ASN A 16 -7.339 9.013 -1.734 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.877 8.243 -2.971 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.342 10.695 -2.509 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.751 10.392 -3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.694 11.609 -0.414 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.288 12.197 0.071 1.00 0.00 H new ATOM 211 N TYR A 17 -3.802 7.411 -0.817 1.00 0.00 N ATOM 212 CA TYR A 17 -2.911 7.090 0.292 1.00 0.00 C ATOM 213 C TYR A 17 -1.706 8.026 0.311 1.00 0.00 C ATOM 214 O TYR A 17 -1.199 8.427 -0.737 1.00 0.00 O ATOM 215 CB TYR A 17 -2.441 5.638 0.194 1.00 0.00 C ATOM 216 CG TYR A 17 -1.678 5.165 1.410 1.00 0.00 C ATOM 217 CD1 TYR A 17 -2.344 4.685 2.531 1.00 0.00 C ATOM 218 CD2 TYR A 17 -0.289 5.196 1.437 1.00 0.00 C ATOM 219 CE1 TYR A 17 -1.650 4.253 3.644 1.00 0.00 C ATOM 220 CE2 TYR A 17 0.414 4.764 2.546 1.00 0.00 C ATOM 221 CZ TYR A 17 -0.272 4.294 3.647 1.00 0.00 C ATOM 222 OH TYR A 17 0.423 3.863 4.753 1.00 0.00 O ATOM 0 H TYR A 17 -3.933 6.652 -1.486 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.467 7.223 1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.308 4.994 0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.808 5.528 -0.687 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.423 4.649 2.532 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.250 5.564 0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.184 3.885 4.508 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.494 4.794 2.551 1.00 0.00 H new ATOM 0 HH TYR A 17 0.153 2.947 4.972 1.00 0.00 H new ATOM 333 N GLU A 24 6.560 3.125 1.948 1.00 0.00 N ATOM 334 CA GLU A 24 5.152 3.398 1.680 1.00 0.00 C ATOM 335 C GLU A 24 4.983 4.131 0.352 1.00 0.00 C ATOM 336 O GLU A 24 5.653 5.131 0.092 1.00 0.00 O ATOM 337 CB GLU A 24 4.546 4.228 2.814 1.00 0.00 C ATOM 338 CG GLU A 24 4.189 3.409 4.043 1.00 0.00 C ATOM 339 CD GLU A 24 3.302 4.167 5.011 1.00 0.00 C ATOM 340 OE1 GLU A 24 2.735 5.204 4.607 1.00 0.00 O ATOM 341 OE2 GLU A 24 3.174 3.724 6.172 1.00 0.00 O ATOM 0 HA GLU A 24 4.629 2.444 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.252 5.008 3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.649 4.728 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.683 2.495 3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.104 3.109 4.553 1.00 0.00 H new ATOM 348 N LEU A 25 4.084 3.626 -0.485 1.00 0.00 N ATOM 349 CA LEU A 25 3.826 4.231 -1.787 1.00 0.00 C ATOM 350 C LEU A 25 2.648 5.197 -1.715 1.00 0.00 C ATOM 351 O LEU A 25 1.554 4.827 -1.286 1.00 0.00 O ATOM 352 CB LEU A 25 3.548 3.146 -2.829 1.00 0.00 C ATOM 353 CG LEU A 25 4.777 2.466 -3.434 1.00 0.00 C ATOM 354 CD1 LEU A 25 4.358 1.380 -4.412 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.670 3.489 -4.120 1.00 0.00 C ATOM 0 H LEU A 25 3.521 2.799 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 25 4.713 4.791 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.923 2.380 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.967 3.588 -3.638 1.00 0.00 H new ATOM 0 HG LEU A 25 5.345 2.001 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.245 0.907 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.761 0.632 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.767 1.821 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.539 2.987 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.112 3.983 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.999 4.231 -3.392 1.00 0.00 H new ATOM 367 N SER A 26 2.878 6.436 -2.138 1.00 0.00 N ATOM 368 CA SER A 26 1.836 7.455 -2.120 1.00 0.00 C ATOM 369 C SER A 26 0.926 7.324 -3.337 1.00 0.00 C ATOM 370 O SER A 26 0.952 8.162 -4.240 1.00 0.00 O ATOM 371 CB SER A 26 2.460 8.852 -2.083 1.00 0.00 C ATOM 372 OG SER A 26 3.508 8.917 -1.132 1.00 0.00 O ATOM 0 H SER A 26 3.777 6.758 -2.497 1.00 0.00 H new ATOM 0 HA SER A 26 1.235 7.309 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.844 9.108 -3.070 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.695 9.589 -1.837 1.00 0.00 H new ATOM 0 HG SER A 26 3.891 9.819 -1.129 1.00 0.00 H new ATOM 378 N LEU A 27 0.121 6.267 -3.355 1.00 0.00 N ATOM 379 CA LEU A 27 -0.798 6.024 -4.462 1.00 0.00 C ATOM 380 C LEU A 27 -1.793 7.171 -4.604 1.00 0.00 C ATOM 381 O LEU A 27 -1.764 8.130 -3.833 1.00 0.00 O ATOM 382 CB LEU A 27 -1.547 4.708 -4.249 1.00 0.00 C ATOM 383 CG LEU A 27 -0.691 3.506 -3.845 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.550 2.258 -3.715 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.426 3.284 -4.853 1.00 0.00 C ATOM 0 H LEU A 27 0.086 5.565 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.214 5.958 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.304 4.864 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.074 4.460 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.241 3.715 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.924 1.414 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.314 2.420 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.029 2.045 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.025 2.425 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.004 3.097 -5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.059 4.170 -4.896 1.00 0.00 H new ATOM 397 N GLN A 28 -2.674 7.064 -5.594 1.00 0.00 N ATOM 398 CA GLN A 28 -3.679 8.092 -5.836 1.00 0.00 C ATOM 399 C GLN A 28 -5.030 7.466 -6.166 1.00 0.00 C ATOM 400 O GLN A 28 -5.098 6.348 -6.677 1.00 0.00 O ATOM 401 CB GLN A 28 -3.236 9.010 -6.977 1.00 0.00 C ATOM 402 CG GLN A 28 -3.940 10.357 -6.982 1.00 0.00 C ATOM 403 CD GLN A 28 -3.190 11.404 -7.783 1.00 0.00 C ATOM 404 OE1 GLN A 28 -2.268 11.085 -8.533 1.00 0.00 O ATOM 405 NE2 GLN A 28 -3.584 12.663 -7.628 1.00 0.00 N ATOM 0 H GLN A 28 -2.712 6.276 -6.241 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.785 8.682 -4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.160 9.172 -6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.420 8.509 -7.928 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.942 10.238 -7.395 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.058 10.705 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.353 12.882 -6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.117 13.410 -8.142 1.00 0.00 H new ATOM 414 N ALA A 29 -6.102 8.193 -5.871 1.00 0.00 N ATOM 415 CA ALA A 29 -7.451 7.709 -6.139 1.00 0.00 C ATOM 416 C ALA A 29 -7.654 7.445 -7.627 1.00 0.00 C ATOM 417 O ALA A 29 -7.452 8.330 -8.458 1.00 0.00 O ATOM 418 CB ALA A 29 -8.480 8.709 -5.633 1.00 0.00 C ATOM 0 H ALA A 29 -6.063 9.120 -5.446 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.585 6.766 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.483 8.335 -5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.358 8.845 -4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.338 9.664 -6.138 1.00 0.00 H new ATOM 424 N GLY A 30 -8.056 6.221 -7.956 1.00 0.00 N ATOM 425 CA GLY A 30 -8.279 5.862 -9.345 1.00 0.00 C ATOM 426 C GLY A 30 -7.044 5.274 -9.997 1.00 0.00 C ATOM 427 O GLY A 30 -6.921 5.276 -11.222 1.00 0.00 O ATOM 0 H GLY A 30 -8.231 5.472 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.095 5.142 -9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.593 6.746 -9.900 1.00 0.00 H new ATOM 431 N GLU A 31 -6.126 4.770 -9.178 1.00 0.00 N ATOM 432 CA GLU A 31 -4.893 4.179 -9.684 1.00 0.00 C ATOM 433 C GLU A 31 -4.956 2.655 -9.622 1.00 0.00 C ATOM 434 O GLU A 31 -5.652 2.085 -8.783 1.00 0.00 O ATOM 435 CB GLU A 31 -3.692 4.684 -8.881 1.00 0.00 C ATOM 436 CG GLU A 31 -2.359 4.150 -9.380 1.00 0.00 C ATOM 437 CD GLU A 31 -2.076 4.539 -10.817 1.00 0.00 C ATOM 438 OE1 GLU A 31 -2.288 5.721 -11.164 1.00 0.00 O ATOM 439 OE2 GLU A 31 -1.642 3.664 -11.595 1.00 0.00 O ATOM 0 H GLU A 31 -6.213 4.759 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.776 4.479 -10.725 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.674 5.773 -8.916 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.819 4.401 -7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.559 4.526 -8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.352 3.063 -9.294 1.00 0.00 H new ATOM 446 N VAL A 32 -4.223 2.002 -10.518 1.00 0.00 N ATOM 447 CA VAL A 32 -4.193 0.545 -10.566 1.00 0.00 C ATOM 448 C VAL A 32 -2.826 0.009 -10.159 1.00 0.00 C ATOM 449 O VAL A 32 -1.792 0.525 -10.585 1.00 0.00 O ATOM 450 CB VAL A 32 -4.539 0.023 -11.974 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.520 -1.498 -11.999 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.892 0.555 -12.421 1.00 0.00 C ATOM 0 H VAL A 32 -3.642 2.459 -11.221 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.943 0.190 -9.860 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.784 0.383 -12.672 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.767 -1.849 -13.001 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.527 -1.854 -11.724 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.253 -1.883 -11.290 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.121 0.177 -13.417 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.661 0.226 -11.722 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.865 1.644 -12.444 1.00 0.00 H new ATOM 462 N VAL A 33 -2.826 -1.032 -9.332 1.00 0.00 N ATOM 463 CA VAL A 33 -1.585 -1.640 -8.868 1.00 0.00 C ATOM 464 C VAL A 33 -1.638 -3.158 -8.991 1.00 0.00 C ATOM 465 O VAL A 33 -2.649 -3.723 -9.407 1.00 0.00 O ATOM 466 CB VAL A 33 -1.289 -1.264 -7.404 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.224 0.247 -7.243 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.337 -1.863 -6.478 1.00 0.00 C ATOM 0 H VAL A 33 -3.672 -1.472 -8.970 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.787 -1.255 -9.502 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.318 -1.676 -7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.014 0.493 -6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.433 0.647 -7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.179 0.685 -7.534 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.112 -1.587 -5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.322 -1.483 -6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.329 -2.949 -6.573 1.00 0.00 H new ATOM 478 N ASP A 34 -0.542 -3.814 -8.626 1.00 0.00 N ATOM 479 CA ASP A 34 -0.463 -5.269 -8.694 1.00 0.00 C ATOM 480 C ASP A 34 -0.178 -5.862 -7.317 1.00 0.00 C ATOM 481 O ASP A 34 0.939 -5.769 -6.808 1.00 0.00 O ATOM 482 CB ASP A 34 0.624 -5.697 -9.682 1.00 0.00 C ATOM 483 CG ASP A 34 0.132 -5.703 -11.116 1.00 0.00 C ATOM 484 OD1 ASP A 34 -0.131 -4.609 -11.658 1.00 0.00 O ATOM 485 OD2 ASP A 34 0.010 -6.802 -11.696 1.00 0.00 O ATOM 0 H ASP A 34 0.304 -3.362 -8.280 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.426 -5.645 -9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.476 -5.022 -9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.979 -6.693 -9.418 1.00 0.00 H new ATOM 490 N VAL A 35 -1.197 -6.472 -6.719 1.00 0.00 N ATOM 491 CA VAL A 35 -1.056 -7.081 -5.402 1.00 0.00 C ATOM 492 C VAL A 35 -0.155 -8.309 -5.457 1.00 0.00 C ATOM 493 O VAL A 35 -0.572 -9.378 -5.904 1.00 0.00 O ATOM 494 CB VAL A 35 -2.425 -7.488 -4.823 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.279 -7.947 -3.380 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.411 -6.334 -4.927 1.00 0.00 C ATOM 0 H VAL A 35 -2.128 -6.557 -7.126 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.603 -6.331 -4.754 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.814 -8.322 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.256 -8.230 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.608 -8.805 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.869 -7.135 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.372 -6.639 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.030 -5.479 -4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.537 -6.057 -5.974 1.00 0.00 H new ATOM 506 N ILE A 36 1.082 -8.150 -5.000 1.00 0.00 N ATOM 507 CA ILE A 36 2.042 -9.246 -4.996 1.00 0.00 C ATOM 508 C ILE A 36 1.797 -10.187 -3.821 1.00 0.00 C ATOM 509 O ILE A 36 1.459 -11.355 -4.010 1.00 0.00 O ATOM 510 CB ILE A 36 3.491 -8.726 -4.929 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.766 -7.770 -6.091 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.472 -9.889 -4.949 1.00 0.00 C ATOM 513 CD1 ILE A 36 5.072 -7.018 -5.958 1.00 0.00 C ATOM 0 H ILE A 36 1.443 -7.272 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 36 1.903 -9.790 -5.930 1.00 0.00 H new ATOM 0 HB ILE A 36 3.624 -8.180 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.775 -8.336 -7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.948 -7.053 -6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.491 -9.506 -4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.287 -10.536 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.342 -10.459 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.202 -6.359 -6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.059 -6.424 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.898 -7.728 -5.918 1.00 0.00 H new ATOM 525 N GLU A 37 1.969 -9.669 -2.609 1.00 0.00 N ATOM 526 CA GLU A 37 1.766 -10.463 -1.404 1.00 0.00 C ATOM 527 C GLU A 37 0.599 -9.919 -0.584 1.00 0.00 C ATOM 528 O GLU A 37 -0.001 -8.903 -0.935 1.00 0.00 O ATOM 529 CB GLU A 37 3.038 -10.477 -0.554 1.00 0.00 C ATOM 530 CG GLU A 37 3.974 -11.629 -0.878 1.00 0.00 C ATOM 531 CD GLU A 37 3.407 -12.974 -0.466 1.00 0.00 C ATOM 532 OE1 GLU A 37 2.516 -13.486 -1.176 1.00 0.00 O ATOM 533 OE2 GLU A 37 3.856 -13.516 0.566 1.00 0.00 O ATOM 0 H GLU A 37 2.248 -8.703 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 37 1.530 -11.483 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.570 -9.536 -0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.761 -10.530 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.177 -11.637 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.927 -11.471 -0.374 1.00 0.00 H new ATOM 540 N LYS A 38 0.283 -10.603 0.511 1.00 0.00 N ATOM 541 CA LYS A 38 -0.810 -10.189 1.382 1.00 0.00 C ATOM 542 C LYS A 38 -0.552 -10.623 2.822 1.00 0.00 C ATOM 543 O LYS A 38 -0.512 -11.815 3.123 1.00 0.00 O ATOM 544 CB LYS A 38 -2.133 -10.780 0.890 1.00 0.00 C ATOM 545 CG LYS A 38 -2.547 -10.284 -0.485 1.00 0.00 C ATOM 546 CD LYS A 38 -4.016 -10.557 -0.758 1.00 0.00 C ATOM 547 CE LYS A 38 -4.426 -10.073 -2.140 1.00 0.00 C ATOM 548 NZ LYS A 38 -5.526 -10.896 -2.713 1.00 0.00 N ATOM 0 H LYS A 38 0.769 -11.447 0.816 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.872 -9.101 1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.049 -11.866 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.918 -10.538 1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.355 -9.214 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.938 -10.771 -1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.210 -11.626 -0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.626 -10.062 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.745 -9.032 -2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.564 -10.105 -2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.776 -10.534 -3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.214 -11.885 -2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.358 -10.845 -2.091 1.00 0.00 H new ATOM 562 N ASN A 39 -0.380 -9.647 3.707 1.00 0.00 N ATOM 563 CA ASN A 39 -0.127 -9.929 5.116 1.00 0.00 C ATOM 564 C ASN A 39 -1.436 -10.116 5.877 1.00 0.00 C ATOM 565 O ASN A 39 -2.388 -9.362 5.687 1.00 0.00 O ATOM 566 CB ASN A 39 0.685 -8.795 5.746 1.00 0.00 C ATOM 567 CG ASN A 39 1.356 -9.215 7.040 1.00 0.00 C ATOM 568 OD1 ASN A 39 1.155 -8.597 8.086 1.00 0.00 O ATOM 569 ND2 ASN A 39 2.160 -10.270 6.974 1.00 0.00 N ATOM 0 H ASN A 39 -0.411 -8.654 3.474 1.00 0.00 H new ATOM 0 HA ASN A 39 0.444 -10.855 5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.443 -8.458 5.039 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.029 -7.946 5.939 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.640 -10.598 7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.297 -10.752 6.086 1.00 0.00 H new ATOM 576 N GLU A 40 -1.473 -11.127 6.739 1.00 0.00 N ATOM 577 CA GLU A 40 -2.665 -11.414 7.528 1.00 0.00 C ATOM 578 C GLU A 40 -3.097 -10.187 8.326 1.00 0.00 C ATOM 579 O GLU A 40 -4.272 -10.032 8.660 1.00 0.00 O ATOM 580 CB GLU A 40 -2.407 -12.587 8.476 1.00 0.00 C ATOM 581 CG GLU A 40 -3.536 -12.832 9.464 1.00 0.00 C ATOM 582 CD GLU A 40 -3.360 -14.121 10.242 1.00 0.00 C ATOM 583 OE1 GLU A 40 -3.577 -15.202 9.656 1.00 0.00 O ATOM 584 OE2 GLU A 40 -3.006 -14.048 11.437 1.00 0.00 O ATOM 0 H GLU A 40 -0.692 -11.761 6.909 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.468 -11.682 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.248 -13.491 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.486 -12.401 9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.592 -11.996 10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.484 -12.863 8.927 1.00 0.00 H new ATOM 591 N SER A 41 -2.138 -9.317 8.628 1.00 0.00 N ATOM 592 CA SER A 41 -2.418 -8.105 9.390 1.00 0.00 C ATOM 593 C SER A 41 -3.391 -7.203 8.638 1.00 0.00 C ATOM 594 O SER A 41 -4.204 -6.506 9.244 1.00 0.00 O ATOM 595 CB SER A 41 -1.120 -7.347 9.677 1.00 0.00 C ATOM 596 OG SER A 41 -1.221 -6.599 10.876 1.00 0.00 O ATOM 0 H SER A 41 -1.161 -9.429 8.357 1.00 0.00 H new ATOM 0 HA SER A 41 -2.877 -8.397 10.335 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.293 -8.052 9.753 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.894 -6.679 8.846 1.00 0.00 H new ATOM 0 HG SER A 41 -0.379 -6.125 11.038 1.00 0.00 H new ATOM 602 N GLY A 42 -3.302 -7.222 7.311 1.00 0.00 N ATOM 603 CA GLY A 42 -4.180 -6.402 6.497 1.00 0.00 C ATOM 604 C GLY A 42 -3.421 -5.576 5.477 1.00 0.00 C ATOM 605 O GLY A 42 -4.000 -5.097 4.502 1.00 0.00 O ATOM 0 H GLY A 42 -2.638 -7.791 6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.896 -7.042 5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.754 -5.738 7.143 1.00 0.00 H new ATOM 609 N TRP A 43 -2.123 -5.409 5.702 1.00 0.00 N ATOM 610 CA TRP A 43 -1.284 -4.633 4.795 1.00 0.00 C ATOM 611 C TRP A 43 -0.697 -5.521 3.704 1.00 0.00 C ATOM 612 O TRP A 43 0.091 -6.425 3.983 1.00 0.00 O ATOM 613 CB TRP A 43 -0.159 -3.946 5.571 1.00 0.00 C ATOM 614 CG TRP A 43 -0.651 -2.918 6.545 1.00 0.00 C ATOM 615 CD1 TRP A 43 -1.462 -3.133 7.622 1.00 0.00 C ATOM 616 CD2 TRP A 43 -0.363 -1.516 6.529 1.00 0.00 C ATOM 617 NE1 TRP A 43 -1.697 -1.948 8.277 1.00 0.00 N ATOM 618 CE2 TRP A 43 -1.034 -0.941 7.627 1.00 0.00 C ATOM 619 CE3 TRP A 43 0.396 -0.690 5.696 1.00 0.00 C ATOM 620 CZ2 TRP A 43 -0.966 0.421 7.909 1.00 0.00 C ATOM 621 CZ3 TRP A 43 0.461 0.661 5.977 1.00 0.00 C ATOM 622 CH2 TRP A 43 -0.216 1.206 7.077 1.00 0.00 C ATOM 0 H TRP A 43 -1.628 -5.800 6.504 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.907 -3.873 4.323 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.415 -4.700 6.109 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.522 -3.471 4.865 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.860 -4.093 7.916 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.272 -1.836 9.112 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.923 -1.101 4.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.487 0.843 8.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.043 1.308 5.338 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.144 2.266 7.271 1.00 0.00 H new ATOM 633 N TRP A 44 -1.084 -5.258 2.461 1.00 0.00 N ATOM 634 CA TRP A 44 -0.595 -6.034 1.327 1.00 0.00 C ATOM 635 C TRP A 44 0.547 -5.310 0.624 1.00 0.00 C ATOM 636 O TRP A 44 0.768 -4.118 0.842 1.00 0.00 O ATOM 637 CB TRP A 44 -1.730 -6.303 0.339 1.00 0.00 C ATOM 638 CG TRP A 44 -2.912 -6.982 0.962 1.00 0.00 C ATOM 639 CD1 TRP A 44 -2.924 -7.711 2.117 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.254 -6.995 0.463 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.192 -8.177 2.366 1.00 0.00 N ATOM 642 CE2 TRP A 44 -5.027 -7.751 1.367 1.00 0.00 C ATOM 643 CE3 TRP A 44 -4.879 -6.441 -0.657 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -6.390 -7.966 1.181 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -6.232 -6.655 -0.839 1.00 0.00 C ATOM 646 CH2 TRP A 44 -6.976 -7.411 0.076 1.00 0.00 C ATOM 0 H TRP A 44 -1.735 -4.513 2.213 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.219 -6.985 1.705 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.052 -5.358 -0.099 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.353 -6.921 -0.476 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.063 -7.894 2.743 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.467 -8.748 3.165 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.315 -5.856 -1.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.965 -8.550 1.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.725 -6.232 -1.702 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.032 -7.559 -0.094 1.00 0.00 H new ATOM 657 N PHE A 45 1.272 -6.036 -0.221 1.00 0.00 N ATOM 658 CA PHE A 45 2.392 -5.461 -0.957 1.00 0.00 C ATOM 659 C PHE A 45 2.061 -5.333 -2.441 1.00 0.00 C ATOM 660 O PHE A 45 2.186 -6.293 -3.201 1.00 0.00 O ATOM 661 CB PHE A 45 3.644 -6.322 -0.775 1.00 0.00 C ATOM 662 CG PHE A 45 4.868 -5.746 -1.427 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.293 -4.463 -1.123 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.593 -6.487 -2.346 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.419 -3.929 -1.721 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.720 -5.959 -2.948 1.00 0.00 C ATOM 667 CZ PHE A 45 7.133 -4.678 -2.636 1.00 0.00 C ATOM 0 H PHE A 45 1.104 -7.024 -0.413 1.00 0.00 H new ATOM 0 HA PHE A 45 2.582 -4.464 -0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.836 -6.450 0.290 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.456 -7.314 -1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.737 -3.872 -0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.274 -7.488 -2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.740 -2.928 -1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.277 -6.548 -3.662 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.012 -4.263 -3.106 1.00 0.00 H new ATOM 677 N VAL A 46 1.637 -4.140 -2.845 1.00 0.00 N ATOM 678 CA VAL A 46 1.287 -3.885 -4.237 1.00 0.00 C ATOM 679 C VAL A 46 2.468 -3.298 -5.002 1.00 0.00 C ATOM 680 O VAL A 46 3.398 -2.753 -4.406 1.00 0.00 O ATOM 681 CB VAL A 46 0.089 -2.923 -4.348 1.00 0.00 C ATOM 682 CG1 VAL A 46 -1.104 -3.464 -3.575 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.472 -1.536 -3.852 1.00 0.00 C ATOM 0 H VAL A 46 1.528 -3.335 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 46 1.014 -4.845 -4.675 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.195 -2.843 -5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.940 -2.771 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.391 -4.434 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.837 -3.575 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.386 -0.869 -3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.783 -1.596 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.294 -1.149 -4.454 1.00 0.00 H new ATOM 693 N SER A 47 2.425 -3.412 -6.326 1.00 0.00 N ATOM 694 CA SER A 47 3.494 -2.896 -7.173 1.00 0.00 C ATOM 695 C SER A 47 2.945 -1.909 -8.198 1.00 0.00 C ATOM 696 O SER A 47 1.849 -2.091 -8.729 1.00 0.00 O ATOM 697 CB SER A 47 4.209 -4.045 -7.886 1.00 0.00 C ATOM 698 OG SER A 47 3.600 -4.328 -9.134 1.00 0.00 O ATOM 0 H SER A 47 1.661 -3.857 -6.835 1.00 0.00 H new ATOM 0 HA SER A 47 4.208 -2.373 -6.537 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.257 -3.786 -8.039 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.189 -4.936 -7.258 1.00 0.00 H new ATOM 0 HG SER A 47 4.076 -5.065 -9.571 1.00 0.00 H new ATOM 704 N THR A 48 3.716 -0.861 -8.473 1.00 0.00 N ATOM 705 CA THR A 48 3.309 0.156 -9.434 1.00 0.00 C ATOM 706 C THR A 48 4.380 0.370 -10.497 1.00 0.00 C ATOM 707 O THR A 48 5.528 -0.041 -10.326 1.00 0.00 O ATOM 708 CB THR A 48 3.017 1.500 -8.739 1.00 0.00 C ATOM 709 OG1 THR A 48 4.239 2.096 -8.292 1.00 0.00 O ATOM 710 CG2 THR A 48 2.079 1.305 -7.557 1.00 0.00 C ATOM 0 H THR A 48 4.626 -0.695 -8.043 1.00 0.00 H new ATOM 0 HA THR A 48 2.397 -0.206 -9.909 1.00 0.00 H new ATOM 0 HB THR A 48 2.535 2.160 -9.460 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.691 1.488 -7.670 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.887 2.267 -7.082 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.138 0.878 -7.905 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.538 0.629 -6.835 1.00 0.00 H new ATOM 718 N SER A 49 3.998 1.014 -11.595 1.00 0.00 N ATOM 719 CA SER A 49 4.927 1.279 -12.688 1.00 0.00 C ATOM 720 C SER A 49 6.175 1.994 -12.179 1.00 0.00 C ATOM 721 O SER A 49 7.255 1.864 -12.754 1.00 0.00 O ATOM 722 CB SER A 49 4.247 2.122 -13.769 1.00 0.00 C ATOM 723 OG SER A 49 3.440 1.316 -14.611 1.00 0.00 O ATOM 0 H SER A 49 3.052 1.362 -11.752 1.00 0.00 H new ATOM 0 HA SER A 49 5.227 0.323 -13.117 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.634 2.893 -13.302 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.003 2.633 -14.365 1.00 0.00 H new ATOM 0 HG SER A 49 3.015 1.878 -15.292 1.00 0.00 H new ATOM 729 N GLU A 50 6.016 2.750 -11.097 1.00 0.00 N ATOM 730 CA GLU A 50 7.130 3.487 -10.511 1.00 0.00 C ATOM 731 C GLU A 50 7.959 2.586 -9.600 1.00 0.00 C ATOM 732 O GLU A 50 9.112 2.277 -9.899 1.00 0.00 O ATOM 733 CB GLU A 50 6.614 4.692 -9.722 1.00 0.00 C ATOM 734 CG GLU A 50 6.477 5.953 -10.559 1.00 0.00 C ATOM 735 CD GLU A 50 6.022 7.148 -9.743 1.00 0.00 C ATOM 736 OE1 GLU A 50 4.797 7.309 -9.559 1.00 0.00 O ATOM 737 OE2 GLU A 50 6.891 7.921 -9.288 1.00 0.00 O ATOM 0 H GLU A 50 5.128 2.868 -10.609 1.00 0.00 H new ATOM 0 HA GLU A 50 7.767 3.839 -11.323 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.644 4.445 -9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.292 4.889 -8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.435 6.180 -11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.764 5.775 -11.364 1.00 0.00 H new ATOM 744 N GLU A 51 7.363 2.169 -8.488 1.00 0.00 N ATOM 745 CA GLU A 51 8.047 1.306 -7.532 1.00 0.00 C ATOM 746 C GLU A 51 7.048 0.445 -6.764 1.00 0.00 C ATOM 747 O GLU A 51 5.847 0.485 -7.030 1.00 0.00 O ATOM 748 CB GLU A 51 8.873 2.143 -6.554 1.00 0.00 C ATOM 749 CG GLU A 51 10.013 2.901 -7.214 1.00 0.00 C ATOM 750 CD GLU A 51 11.036 1.979 -7.848 1.00 0.00 C ATOM 751 OE1 GLU A 51 11.075 0.788 -7.473 1.00 0.00 O ATOM 752 OE2 GLU A 51 11.798 2.447 -8.720 1.00 0.00 O ATOM 0 H GLU A 51 6.408 2.415 -8.227 1.00 0.00 H new ATOM 0 HA GLU A 51 8.714 0.649 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.216 2.855 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.281 1.489 -5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.608 3.567 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.506 3.528 -6.471 1.00 0.00 H new ATOM 759 N GLN A 52 7.554 -0.332 -5.812 1.00 0.00 N ATOM 760 CA GLN A 52 6.706 -1.202 -5.006 1.00 0.00 C ATOM 761 C GLN A 52 6.728 -0.780 -3.541 1.00 0.00 C ATOM 762 O GLN A 52 7.732 -0.270 -3.046 1.00 0.00 O ATOM 763 CB GLN A 52 7.163 -2.656 -5.137 1.00 0.00 C ATOM 764 CG GLN A 52 7.452 -3.077 -6.568 1.00 0.00 C ATOM 765 CD GLN A 52 7.487 -4.583 -6.738 1.00 0.00 C ATOM 766 OE1 GLN A 52 7.423 -5.331 -5.762 1.00 0.00 O ATOM 767 NE2 GLN A 52 7.589 -5.037 -7.982 1.00 0.00 N ATOM 0 H GLN A 52 8.546 -0.377 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 52 5.684 -1.114 -5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.061 -2.801 -4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.394 -3.308 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.691 -2.659 -7.226 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.409 -2.658 -6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.639 -4.381 -8.762 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.617 -6.041 -8.158 1.00 0.00 H new ATOM 776 N GLY A 53 5.611 -0.994 -2.851 1.00 0.00 N ATOM 777 CA GLY A 53 5.523 -0.629 -1.450 1.00 0.00 C ATOM 778 C GLY A 53 4.388 -1.336 -0.736 1.00 0.00 C ATOM 779 O GLY A 53 3.443 -1.804 -1.371 1.00 0.00 O ATOM 0 H GLY A 53 4.766 -1.414 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.464 -0.869 -0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.385 0.449 -1.367 1.00 0.00 H new ATOM 783 N TRP A 54 4.482 -1.416 0.586 1.00 0.00 N ATOM 784 CA TRP A 54 3.455 -2.074 1.386 1.00 0.00 C ATOM 785 C TRP A 54 2.352 -1.093 1.770 1.00 0.00 C ATOM 786 O TRP A 54 2.604 -0.092 2.441 1.00 0.00 O ATOM 787 CB TRP A 54 4.073 -2.684 2.645 1.00 0.00 C ATOM 788 CG TRP A 54 4.905 -3.899 2.370 1.00 0.00 C ATOM 789 CD1 TRP A 54 6.188 -3.925 1.902 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.512 -5.265 2.543 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.616 -5.224 1.774 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.606 -6.065 2.162 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.342 -5.889 2.985 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.563 -7.456 2.209 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.301 -7.270 3.031 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.405 -8.041 2.645 1.00 0.00 C ATOM 0 H TRP A 54 5.258 -1.034 1.127 1.00 0.00 H new ATOM 0 HA TRP A 54 3.015 -2.869 0.784 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.691 -1.933 3.138 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.276 -2.948 3.341 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.779 -3.052 1.667 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.536 -5.515 1.444 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.486 -5.303 3.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.413 -8.052 1.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.402 -7.763 3.370 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.341 -9.118 2.692 1.00 0.00 H new ATOM 807 N VAL A 55 1.129 -1.386 1.339 1.00 0.00 N ATOM 808 CA VAL A 55 -0.012 -0.529 1.639 1.00 0.00 C ATOM 809 C VAL A 55 -1.152 -1.330 2.259 1.00 0.00 C ATOM 810 O VAL A 55 -1.265 -2.542 2.073 1.00 0.00 O ATOM 811 CB VAL A 55 -0.528 0.182 0.374 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.375 1.352 0.014 1.00 0.00 C ATOM 813 CG2 VAL A 55 -0.631 -0.799 -0.784 1.00 0.00 C ATOM 0 H VAL A 55 0.903 -2.210 0.781 1.00 0.00 H new ATOM 0 HA VAL A 55 0.333 0.220 2.352 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.525 0.573 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.005 1.842 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.393 2.065 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.385 0.988 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.997 -0.279 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.352 -1.221 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.322 -1.600 -0.522 1.00 0.00 H new ATOM 823 N PRO A 56 -2.019 -0.638 3.014 1.00 0.00 N ATOM 824 CA PRO A 56 -3.167 -1.265 3.676 1.00 0.00 C ATOM 825 C PRO A 56 -4.235 -1.711 2.684 1.00 0.00 C ATOM 826 O PRO A 56 -4.643 -0.946 1.810 1.00 0.00 O ATOM 827 CB PRO A 56 -3.706 -0.152 4.578 1.00 0.00 C ATOM 828 CG PRO A 56 -3.269 1.112 3.923 1.00 0.00 C ATOM 829 CD PRO A 56 -1.945 0.808 3.278 1.00 0.00 C ATOM 0 HA PRO A 56 -2.884 -2.170 4.214 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.792 -0.200 4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.306 -0.233 5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.998 1.440 3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.172 1.916 4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.805 1.378 2.359 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.111 1.054 3.936 1.00 0.00 H new ATOM 837 N ALA A 57 -4.686 -2.954 2.825 1.00 0.00 N ATOM 838 CA ALA A 57 -5.709 -3.500 1.943 1.00 0.00 C ATOM 839 C ALA A 57 -6.919 -2.575 1.866 1.00 0.00 C ATOM 840 O ALA A 57 -7.608 -2.520 0.847 1.00 0.00 O ATOM 841 CB ALA A 57 -6.130 -4.884 2.417 1.00 0.00 C ATOM 0 H ALA A 57 -4.358 -3.601 3.542 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.284 -3.583 0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.895 -5.280 1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.266 -5.548 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.531 -4.816 3.428 1.00 0.00 H new ATOM 847 N THR A 58 -7.173 -1.849 2.950 1.00 0.00 N ATOM 848 CA THR A 58 -8.301 -0.927 3.005 1.00 0.00 C ATOM 849 C THR A 58 -8.248 0.076 1.858 1.00 0.00 C ATOM 850 O THR A 58 -9.276 0.607 1.438 1.00 0.00 O ATOM 851 CB THR A 58 -8.334 -0.160 4.341 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.038 0.373 4.633 1.00 0.00 O ATOM 853 CG2 THR A 58 -8.782 -1.069 5.475 1.00 0.00 C ATOM 0 H THR A 58 -6.613 -1.882 3.802 1.00 0.00 H new ATOM 0 HA THR A 58 -9.206 -1.528 2.916 1.00 0.00 H new ATOM 0 HB THR A 58 -9.049 0.658 4.248 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.069 0.860 5.483 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.798 -0.506 6.408 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.782 -1.449 5.264 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.088 -1.905 5.567 1.00 0.00 H new ATOM 861 N TYR A 59 -7.045 0.329 1.354 1.00 0.00 N ATOM 862 CA TYR A 59 -6.859 1.269 0.256 1.00 0.00 C ATOM 863 C TYR A 59 -6.809 0.540 -1.083 1.00 0.00 C ATOM 864 O TYR A 59 -6.178 1.005 -2.033 1.00 0.00 O ATOM 865 CB TYR A 59 -5.575 2.075 0.459 1.00 0.00 C ATOM 866 CG TYR A 59 -5.746 3.268 1.373 1.00 0.00 C ATOM 867 CD1 TYR A 59 -5.916 3.100 2.742 1.00 0.00 C ATOM 868 CD2 TYR A 59 -5.738 4.562 0.867 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.073 4.187 3.580 1.00 0.00 C ATOM 870 CE2 TYR A 59 -5.893 5.654 1.698 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.061 5.462 3.053 1.00 0.00 C ATOM 872 OH TYR A 59 -6.217 6.547 3.885 1.00 0.00 O ATOM 0 H TYR A 59 -6.184 -0.104 1.689 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.710 1.950 0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.806 1.420 0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.215 2.419 -0.511 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.926 2.103 3.158 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.608 4.716 -0.194 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.204 4.040 4.642 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.883 6.653 1.289 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.184 7.372 3.357 1.00 0.00 H new ATOM 882 N LEU A 60 -7.479 -0.605 -1.151 1.00 0.00 N ATOM 883 CA LEU A 60 -7.513 -1.400 -2.374 1.00 0.00 C ATOM 884 C LEU A 60 -8.863 -2.093 -2.535 1.00 0.00 C ATOM 885 O LEU A 60 -9.486 -2.493 -1.553 1.00 0.00 O ATOM 886 CB LEU A 60 -6.392 -2.440 -2.360 1.00 0.00 C ATOM 887 CG LEU A 60 -5.013 -1.935 -1.933 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.095 -3.102 -1.604 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.403 -1.064 -3.022 1.00 0.00 C ATOM 0 H LEU A 60 -8.006 -1.004 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.367 -0.728 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.683 -3.250 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.307 -2.867 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.132 -1.329 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.119 -2.723 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.525 -3.685 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.982 -3.736 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.422 -0.714 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.298 -1.646 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.051 -0.208 -3.209 1.00 0.00 H new ATOM 901 N GLU A 61 -9.305 -2.232 -3.781 1.00 0.00 N ATOM 902 CA GLU A 61 -10.580 -2.878 -4.070 1.00 0.00 C ATOM 903 C GLU A 61 -10.458 -3.807 -5.275 1.00 0.00 C ATOM 904 O GLU A 61 -9.641 -3.580 -6.167 1.00 0.00 O ATOM 905 CB GLU A 61 -11.662 -1.828 -4.330 1.00 0.00 C ATOM 906 CG GLU A 61 -13.071 -2.324 -4.052 1.00 0.00 C ATOM 907 CD GLU A 61 -14.036 -1.196 -3.742 1.00 0.00 C ATOM 908 OE1 GLU A 61 -14.171 -0.282 -4.583 1.00 0.00 O ATOM 909 OE2 GLU A 61 -14.657 -1.228 -2.659 1.00 0.00 O ATOM 0 H GLU A 61 -8.800 -1.906 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.862 -3.472 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.465 -0.954 -3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.599 -1.503 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.434 -2.880 -4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.049 -3.019 -3.213 1.00 0.00 H new ATOM 916 N ALA A 62 -11.277 -4.854 -5.292 1.00 0.00 N ATOM 917 CA ALA A 62 -11.262 -5.817 -6.386 1.00 0.00 C ATOM 918 C ALA A 62 -12.057 -5.302 -7.581 1.00 0.00 C ATOM 919 O ALA A 62 -13.287 -5.318 -7.573 1.00 0.00 O ATOM 920 CB ALA A 62 -11.816 -7.155 -5.919 1.00 0.00 C ATOM 0 H ALA A 62 -11.959 -5.057 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.228 -5.954 -6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.799 -7.865 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.205 -7.536 -5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.842 -7.024 -5.575 1.00 0.00 H new