USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 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 34 TYR OH : rot 180:sc= 0.454 USER MOD Set 1.2: A 72 MET CE :methyl 180:sc= -0.388 (180deg=-0.383) USER MOD Set 2.1: A 19 GLN :FLIP amide:sc= 0.151 F(o=-1.2,f=0.15) USER MOD Set 2.2: A 50 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0.15) USER MOD Set 3.1: A 49 ASN :FLIP amide:sc= 0.489 F(o=-1.4,f=-0.092) USER MOD Set 3.2: A 56 GLN :FLIP amide:sc= -0.581 F(o=-1.4,f=-0.092) USER MOD Set 4.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 23 GLN : amide:sc= 0 K(o=-0.82,f=-1.7) USER MOD Set 5.2: A 26 MET CE :methyl 160:sc= -0.82 (180deg=-1.04) USER MOD Single : A 14 TYR OH : rot 130:sc= -0.431 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.257 X(o=0.26,f=-0.16) USER MOD Single : A 21 THR OG1 : rot -28:sc= 0.318 USER MOD Single : A 30 MET CE :methyl -144:sc= -0.499 (180deg=-2.5!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.964 F(o=-4.1!,f=-0.96) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot -164:sc= 0.587 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.373 USER MOD Single : A 69 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.2) USER MOD Single : A 71 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 14 -12.633 4.339 -5.748 1.00 0.00 N ATOM 2 CA TYR A 14 -11.594 4.776 -4.788 1.00 0.00 C ATOM 3 C TYR A 14 -10.190 4.334 -5.259 1.00 0.00 C ATOM 4 O TYR A 14 -9.201 5.051 -5.050 1.00 0.00 O ATOM 5 CB TYR A 14 -11.911 4.211 -3.372 1.00 0.00 C ATOM 6 CG TYR A 14 -10.865 4.543 -2.289 1.00 0.00 C ATOM 7 CD1 TYR A 14 -10.694 5.852 -1.824 1.00 0.00 C ATOM 8 CD2 TYR A 14 -10.033 3.553 -1.751 1.00 0.00 C ATOM 9 CE1 TYR A 14 -9.746 6.150 -0.861 1.00 0.00 C ATOM 10 CE2 TYR A 14 -9.084 3.851 -0.795 1.00 0.00 C ATOM 11 CZ TYR A 14 -8.943 5.149 -0.355 1.00 0.00 C ATOM 12 OH TYR A 14 -7.982 5.443 0.586 1.00 0.00 O ATOM 0 HA TYR A 14 -11.598 5.865 -4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.879 4.597 -3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.007 3.128 -3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.312 6.642 -2.223 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.137 2.534 -2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.635 7.164 -0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.455 3.071 -0.393 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.065 4.826 1.342 1.00 0.00 H new ATOM 22 N GLY A 15 -10.135 3.149 -5.912 1.00 0.00 N ATOM 23 CA GLY A 15 -8.896 2.626 -6.496 1.00 0.00 C ATOM 24 C GLY A 15 -8.322 3.508 -7.604 1.00 0.00 C ATOM 25 O GLY A 15 -7.107 3.531 -7.812 1.00 0.00 O ATOM 0 H GLY A 15 -10.944 2.541 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.151 2.516 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.085 1.630 -6.897 1.00 0.00 H new ATOM 29 N GLU A 16 -9.209 4.238 -8.308 1.00 0.00 N ATOM 30 CA GLU A 16 -8.808 5.201 -9.350 1.00 0.00 C ATOM 31 C GLU A 16 -8.129 6.422 -8.717 1.00 0.00 C ATOM 32 O GLU A 16 -7.053 6.839 -9.158 1.00 0.00 O ATOM 33 CB GLU A 16 -10.044 5.668 -10.157 1.00 0.00 C ATOM 34 CG GLU A 16 -9.735 6.554 -11.382 1.00 0.00 C ATOM 35 CD GLU A 16 -8.941 5.826 -12.482 1.00 0.00 C ATOM 36 OE1 GLU A 16 -9.564 5.121 -13.312 1.00 0.00 O ATOM 37 OE2 GLU A 16 -7.698 5.954 -12.527 1.00 0.00 O ATOM 0 H GLU A 16 -10.218 4.177 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.106 4.704 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.591 4.788 -10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.707 6.218 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.672 6.919 -11.802 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.171 7.428 -11.056 1.00 0.00 H new ATOM 44 N TYR A 17 -8.777 6.966 -7.661 1.00 0.00 N ATOM 45 CA TYR A 17 -8.322 8.187 -6.971 1.00 0.00 C ATOM 46 C TYR A 17 -6.895 8.012 -6.430 1.00 0.00 C ATOM 47 O TYR A 17 -6.010 8.832 -6.716 1.00 0.00 O ATOM 48 CB TYR A 17 -9.311 8.535 -5.812 1.00 0.00 C ATOM 49 CG TYR A 17 -8.767 9.545 -4.773 1.00 0.00 C ATOM 50 CD1 TYR A 17 -8.605 10.898 -5.090 1.00 0.00 C ATOM 51 CD2 TYR A 17 -8.375 9.127 -3.492 1.00 0.00 C ATOM 52 CE1 TYR A 17 -8.090 11.791 -4.169 1.00 0.00 C ATOM 53 CE2 TYR A 17 -7.855 10.016 -2.575 1.00 0.00 C ATOM 54 CZ TYR A 17 -7.712 11.345 -2.916 1.00 0.00 C ATOM 55 OH TYR A 17 -7.180 12.231 -2.002 1.00 0.00 O ATOM 0 H TYR A 17 -9.629 6.568 -7.266 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.308 9.009 -7.686 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.227 8.938 -6.244 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.581 7.614 -5.295 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.887 11.251 -6.071 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.483 8.088 -3.219 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.983 12.834 -4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.561 9.673 -1.594 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.968 11.756 -1.171 1.00 0.00 H new ATOM 65 N VAL A 18 -6.677 6.900 -5.707 1.00 0.00 N ATOM 66 CA VAL A 18 -5.384 6.604 -5.075 1.00 0.00 C ATOM 67 C VAL A 18 -4.289 6.355 -6.130 1.00 0.00 C ATOM 68 O VAL A 18 -3.170 6.832 -5.970 1.00 0.00 O ATOM 69 CB VAL A 18 -5.474 5.421 -4.042 1.00 0.00 C ATOM 70 CG1 VAL A 18 -6.385 5.785 -2.849 1.00 0.00 C ATOM 71 CG2 VAL A 18 -5.942 4.117 -4.706 1.00 0.00 C ATOM 0 H VAL A 18 -7.388 6.187 -5.546 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.102 7.490 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.466 5.254 -3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.426 4.947 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.984 6.661 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.389 6.005 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.991 3.325 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.930 4.265 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.238 3.834 -5.489 1.00 0.00 H new ATOM 81 N GLN A 19 -4.655 5.691 -7.249 1.00 0.00 N ATOM 82 CA GLN A 19 -3.714 5.345 -8.350 1.00 0.00 C ATOM 83 C GLN A 19 -2.984 6.618 -8.870 1.00 0.00 C ATOM 84 O GLN A 19 -1.821 6.566 -9.276 1.00 0.00 O ATOM 85 CB GLN A 19 -4.507 4.642 -9.507 1.00 0.00 C ATOM 86 CG GLN A 19 -3.757 3.550 -10.316 1.00 0.00 C ATOM 87 CD GLN A 19 -2.498 4.027 -11.048 1.00 0.00 C ATOM 88 OE1 GLN A 19 -2.676 4.584 -12.237 1.00 0.00 O flip ATOM 89 NE2 GLN A 19 -1.382 3.927 -10.534 1.00 0.00 N flip ATOM 0 H GLN A 19 -5.611 5.378 -7.419 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.954 4.661 -7.973 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.402 4.191 -9.078 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.840 5.411 -10.204 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.479 2.744 -9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.445 3.127 -11.048 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.280 3.493 -9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.561 4.279 -11.026 1.00 0.00 H new ATOM 98 N GLN A 20 -3.686 7.761 -8.799 1.00 0.00 N ATOM 99 CA GLN A 20 -3.216 9.040 -9.353 1.00 0.00 C ATOM 100 C GLN A 20 -2.450 9.854 -8.299 1.00 0.00 C ATOM 101 O GLN A 20 -1.348 10.351 -8.561 1.00 0.00 O ATOM 102 CB GLN A 20 -4.430 9.845 -9.902 1.00 0.00 C ATOM 103 CG GLN A 20 -5.344 9.025 -10.835 1.00 0.00 C ATOM 104 CD GLN A 20 -4.602 8.370 -12.009 1.00 0.00 C ATOM 105 OE1 GLN A 20 -3.638 8.915 -12.546 1.00 0.00 O ATOM 106 NE2 GLN A 20 -5.023 7.179 -12.390 1.00 0.00 N ATOM 0 H GLN A 20 -4.601 7.823 -8.353 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.524 8.836 -10.170 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.019 10.215 -9.063 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.062 10.717 -10.442 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.840 8.249 -10.252 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.124 9.676 -11.228 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.825 6.750 -11.928 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.547 6.688 -13.146 1.00 0.00 H new ATOM 115 N THR A 21 -3.041 9.971 -7.099 1.00 0.00 N ATOM 116 CA THR A 21 -2.507 10.833 -6.025 1.00 0.00 C ATOM 117 C THR A 21 -1.320 10.180 -5.268 1.00 0.00 C ATOM 118 O THR A 21 -0.638 10.865 -4.497 1.00 0.00 O ATOM 119 CB THR A 21 -3.647 11.242 -5.026 1.00 0.00 C ATOM 120 OG1 THR A 21 -3.156 12.163 -4.039 1.00 0.00 O ATOM 121 CG2 THR A 21 -4.265 10.028 -4.323 1.00 0.00 C ATOM 0 H THR A 21 -3.896 9.476 -6.844 1.00 0.00 H new ATOM 0 HA THR A 21 -2.117 11.731 -6.504 1.00 0.00 H new ATOM 0 HB THR A 21 -4.424 11.722 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.198 12.011 -3.898 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.048 10.361 -3.642 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.693 9.356 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.494 9.503 -3.759 1.00 0.00 H new ATOM 129 N LEU A 22 -1.079 8.867 -5.481 1.00 0.00 N ATOM 130 CA LEU A 22 0.057 8.154 -4.851 1.00 0.00 C ATOM 131 C LEU A 22 1.403 8.652 -5.434 1.00 0.00 C ATOM 132 O LEU A 22 1.698 8.432 -6.612 1.00 0.00 O ATOM 133 CB LEU A 22 -0.076 6.589 -5.006 1.00 0.00 C ATOM 134 CG LEU A 22 -0.461 5.788 -3.715 1.00 0.00 C ATOM 135 CD1 LEU A 22 0.456 6.150 -2.536 1.00 0.00 C ATOM 136 CD2 LEU A 22 -1.934 5.976 -3.334 1.00 0.00 C ATOM 0 H LEU A 22 -1.655 8.279 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 22 0.036 8.378 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.826 6.384 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.872 6.201 -5.378 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.317 4.733 -3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.162 5.577 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.489 5.915 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.369 7.215 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.153 5.402 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.130 7.032 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.568 5.628 -4.149 1.00 0.00 H new ATOM 148 N GLN A 23 2.193 9.338 -4.592 1.00 0.00 N ATOM 149 CA GLN A 23 3.530 9.859 -4.955 1.00 0.00 C ATOM 150 C GLN A 23 4.625 8.879 -4.465 1.00 0.00 C ATOM 151 O GLN A 23 4.549 8.426 -3.315 1.00 0.00 O ATOM 152 CB GLN A 23 3.735 11.259 -4.314 1.00 0.00 C ATOM 153 CG GLN A 23 2.728 12.332 -4.783 1.00 0.00 C ATOM 154 CD GLN A 23 2.931 13.683 -4.086 1.00 0.00 C ATOM 155 OE1 GLN A 23 2.347 13.955 -3.040 1.00 0.00 O ATOM 156 NE2 GLN A 23 3.773 14.532 -4.656 1.00 0.00 N ATOM 0 H GLN A 23 1.924 9.551 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 23 3.602 9.952 -6.039 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.665 11.162 -3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.744 11.603 -4.539 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.823 12.466 -5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.714 11.979 -4.594 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.243 14.278 -5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.951 15.440 -4.226 1.00 0.00 H new ATOM 165 N PRO A 24 5.642 8.508 -5.321 1.00 0.00 N ATOM 166 CA PRO A 24 6.723 7.560 -4.934 1.00 0.00 C ATOM 167 C PRO A 24 7.643 8.125 -3.825 1.00 0.00 C ATOM 168 O PRO A 24 8.691 8.716 -4.108 1.00 0.00 O ATOM 169 CB PRO A 24 7.483 7.283 -6.271 1.00 0.00 C ATOM 170 CG PRO A 24 6.561 7.784 -7.349 1.00 0.00 C ATOM 171 CD PRO A 24 5.807 8.941 -6.733 1.00 0.00 C ATOM 0 HA PRO A 24 6.329 6.645 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.441 7.803 -6.297 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.694 6.221 -6.393 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.122 8.105 -8.227 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.878 7.000 -7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.365 9.874 -6.808 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.846 9.104 -7.221 1.00 0.00 H new ATOM 179 N GLY A 25 7.207 7.959 -2.563 1.00 0.00 N ATOM 180 CA GLY A 25 7.945 8.438 -1.389 1.00 0.00 C ATOM 181 C GLY A 25 7.030 8.949 -0.284 1.00 0.00 C ATOM 182 O GLY A 25 7.511 9.369 0.776 1.00 0.00 O ATOM 0 H GLY A 25 6.332 7.488 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.562 7.629 -0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.622 9.237 -1.692 1.00 0.00 H new ATOM 186 N MET A 26 5.703 8.911 -0.523 1.00 0.00 N ATOM 187 CA MET A 26 4.705 9.250 0.511 1.00 0.00 C ATOM 188 C MET A 26 4.369 7.977 1.288 1.00 0.00 C ATOM 189 O MET A 26 4.487 6.863 0.751 1.00 0.00 O ATOM 190 CB MET A 26 3.394 9.867 -0.076 1.00 0.00 C ATOM 191 CG MET A 26 2.492 8.903 -0.877 1.00 0.00 C ATOM 192 SD MET A 26 0.769 9.454 -0.974 1.00 0.00 S ATOM 193 CE MET A 26 0.919 11.092 -1.682 1.00 0.00 C ATOM 0 H MET A 26 5.299 8.649 -1.422 1.00 0.00 H new ATOM 0 HA MET A 26 5.141 10.011 1.158 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.810 10.280 0.747 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.666 10.700 -0.723 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.890 8.797 -1.886 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.526 7.916 -0.416 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.036 11.390 -2.115 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.201 11.801 -0.903 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.683 11.084 -2.459 1.00 0.00 H new ATOM 203 N ARG A 27 3.927 8.144 2.536 1.00 0.00 N ATOM 204 CA ARG A 27 3.555 7.023 3.391 1.00 0.00 C ATOM 205 C ARG A 27 2.104 6.640 3.107 1.00 0.00 C ATOM 206 O ARG A 27 1.300 7.451 2.610 1.00 0.00 O ATOM 207 CB ARG A 27 3.726 7.346 4.897 1.00 0.00 C ATOM 208 CG ARG A 27 2.852 8.509 5.403 1.00 0.00 C ATOM 209 CD ARG A 27 2.698 8.509 6.925 1.00 0.00 C ATOM 210 NE ARG A 27 2.048 9.742 7.400 1.00 0.00 N ATOM 211 CZ ARG A 27 1.735 10.018 8.671 1.00 0.00 C ATOM 212 NH1 ARG A 27 1.960 9.145 9.642 1.00 0.00 N ATOM 213 NH2 ARG A 27 1.183 11.176 8.962 1.00 0.00 N ATOM 0 H ARG A 27 3.818 9.057 2.978 1.00 0.00 H new ATOM 0 HA ARG A 27 4.223 6.193 3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.491 6.453 5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.772 7.584 5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.292 9.454 5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.866 8.446 4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.110 7.644 7.233 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.678 8.410 7.391 1.00 0.00 H new ATOM 0 HE ARG A 27 1.816 10.446 6.700 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.380 8.241 9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.713 9.377 10.604 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.998 11.853 8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.940 11.397 9.928 1.00 0.00 H new ATOM 227 N VAL A 28 1.781 5.402 3.448 1.00 0.00 N ATOM 228 CA VAL A 28 0.456 4.823 3.266 1.00 0.00 C ATOM 229 C VAL A 28 0.009 4.211 4.602 1.00 0.00 C ATOM 230 O VAL A 28 0.777 4.182 5.569 1.00 0.00 O ATOM 231 CB VAL A 28 0.414 3.735 2.108 1.00 0.00 C ATOM 232 CG1 VAL A 28 1.030 4.274 0.790 1.00 0.00 C ATOM 233 CG2 VAL A 28 1.082 2.405 2.544 1.00 0.00 C ATOM 0 H VAL A 28 2.448 4.755 3.869 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.227 5.615 2.959 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.636 3.521 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.982 3.501 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.471 5.149 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.070 4.552 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.033 1.687 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.125 2.589 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.559 2.002 3.411 1.00 0.00 H new ATOM 243 N ARG A 29 -1.234 3.763 4.646 1.00 0.00 N ATOM 244 CA ARG A 29 -1.828 3.099 5.800 1.00 0.00 C ATOM 245 C ARG A 29 -2.733 1.958 5.282 1.00 0.00 C ATOM 246 O ARG A 29 -3.480 2.133 4.313 1.00 0.00 O ATOM 247 CB ARG A 29 -2.596 4.152 6.659 1.00 0.00 C ATOM 248 CG ARG A 29 -2.913 3.733 8.119 1.00 0.00 C ATOM 249 CD ARG A 29 -4.086 2.758 8.240 1.00 0.00 C ATOM 250 NE ARG A 29 -5.367 3.370 7.852 1.00 0.00 N ATOM 251 CZ ARG A 29 -6.582 2.832 8.053 1.00 0.00 C ATOM 252 NH1 ARG A 29 -6.714 1.615 8.563 1.00 0.00 N ATOM 253 NH2 ARG A 29 -7.660 3.518 7.726 1.00 0.00 N ATOM 0 H ARG A 29 -1.878 3.852 3.860 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.073 2.657 6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.009 5.070 6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.534 4.387 6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.026 3.276 8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.133 4.626 8.704 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.897 1.887 7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.154 2.401 9.268 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.329 4.279 7.392 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.886 1.073 8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.644 1.221 8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.568 4.451 7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.585 3.116 7.876 1.00 0.00 H new ATOM 267 N MET A 30 -2.639 0.796 5.943 1.00 0.00 N ATOM 268 CA MET A 30 -3.383 -0.419 5.597 1.00 0.00 C ATOM 269 C MET A 30 -4.828 -0.280 6.077 1.00 0.00 C ATOM 270 O MET A 30 -5.082 -0.262 7.286 1.00 0.00 O ATOM 271 CB MET A 30 -2.706 -1.660 6.253 1.00 0.00 C ATOM 272 CG MET A 30 -3.226 -3.037 5.791 1.00 0.00 C ATOM 273 SD MET A 30 -2.573 -3.589 4.186 1.00 0.00 S ATOM 274 CE MET A 30 -3.561 -2.703 2.976 1.00 0.00 C ATOM 0 H MET A 30 -2.029 0.674 6.751 1.00 0.00 H new ATOM 0 HA MET A 30 -3.379 -0.556 4.516 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.635 -1.613 6.054 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.833 -1.590 7.333 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.972 -3.780 6.547 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.314 -3.000 5.733 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.735 -3.342 2.110 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.517 -2.425 3.420 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.031 -1.804 2.662 1.00 0.00 H new ATOM 284 N LEU A 31 -5.761 -0.173 5.122 1.00 0.00 N ATOM 285 CA LEU A 31 -7.181 0.079 5.410 1.00 0.00 C ATOM 286 C LEU A 31 -7.839 -1.153 6.073 1.00 0.00 C ATOM 287 O LEU A 31 -8.657 -1.005 6.988 1.00 0.00 O ATOM 288 CB LEU A 31 -7.917 0.485 4.104 1.00 0.00 C ATOM 289 CG LEU A 31 -9.408 0.926 4.241 1.00 0.00 C ATOM 290 CD1 LEU A 31 -9.547 2.155 5.170 1.00 0.00 C ATOM 291 CD2 LEU A 31 -10.029 1.200 2.848 1.00 0.00 C ATOM 0 H LEU A 31 -5.554 -0.259 4.127 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.258 0.903 6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.363 1.302 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.875 -0.358 3.415 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.961 0.107 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.597 2.438 5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.166 1.907 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.976 2.988 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.068 1.506 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.472 1.994 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.984 0.293 2.245 1.00 0.00 H new ATOM 303 N ASP A 32 -7.427 -2.359 5.639 1.00 0.00 N ATOM 304 CA ASP A 32 -7.976 -3.640 6.134 1.00 0.00 C ATOM 305 C ASP A 32 -6.839 -4.659 6.262 1.00 0.00 C ATOM 306 O ASP A 32 -5.875 -4.606 5.494 1.00 0.00 O ATOM 307 CB ASP A 32 -9.071 -4.176 5.180 1.00 0.00 C ATOM 308 CG ASP A 32 -9.804 -5.409 5.741 1.00 0.00 C ATOM 309 OD1 ASP A 32 -10.525 -5.266 6.753 1.00 0.00 O ATOM 310 OD2 ASP A 32 -9.664 -6.521 5.187 1.00 0.00 O ATOM 0 H ASP A 32 -6.701 -2.475 4.932 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.433 -3.477 7.110 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.796 -3.385 4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.618 -4.434 4.223 1.00 0.00 H new ATOM 315 N ASP A 33 -6.992 -5.602 7.206 1.00 0.00 N ATOM 316 CA ASP A 33 -5.916 -6.533 7.606 1.00 0.00 C ATOM 317 C ASP A 33 -5.541 -7.478 6.454 1.00 0.00 C ATOM 318 O ASP A 33 -6.406 -8.096 5.821 1.00 0.00 O ATOM 319 CB ASP A 33 -6.302 -7.331 8.882 1.00 0.00 C ATOM 320 CG ASP A 33 -7.521 -8.254 8.708 1.00 0.00 C ATOM 321 OD1 ASP A 33 -8.663 -7.759 8.783 1.00 0.00 O ATOM 322 OD2 ASP A 33 -7.345 -9.477 8.495 1.00 0.00 O ATOM 0 H ASP A 33 -7.864 -5.743 7.715 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.037 -5.934 7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.447 -7.932 9.193 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.506 -6.627 9.689 1.00 0.00 H new ATOM 327 N TYR A 34 -4.242 -7.559 6.185 1.00 0.00 N ATOM 328 CA TYR A 34 -3.677 -8.356 5.094 1.00 0.00 C ATOM 329 C TYR A 34 -2.975 -9.606 5.641 1.00 0.00 C ATOM 330 O TYR A 34 -2.848 -9.789 6.857 1.00 0.00 O ATOM 331 CB TYR A 34 -2.727 -7.479 4.211 1.00 0.00 C ATOM 332 CG TYR A 34 -3.303 -7.176 2.826 1.00 0.00 C ATOM 333 CD1 TYR A 34 -4.294 -6.209 2.654 1.00 0.00 C ATOM 334 CD2 TYR A 34 -2.886 -7.888 1.698 1.00 0.00 C ATOM 335 CE1 TYR A 34 -4.830 -5.950 1.411 1.00 0.00 C ATOM 336 CE2 TYR A 34 -3.420 -7.630 0.454 1.00 0.00 C ATOM 337 CZ TYR A 34 -4.396 -6.666 0.318 1.00 0.00 C ATOM 338 OH TYR A 34 -4.932 -6.404 -0.925 1.00 0.00 O ATOM 0 H TYR A 34 -3.535 -7.063 6.729 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.487 -8.702 4.452 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.525 -6.540 4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.772 -7.991 4.096 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.647 -5.654 3.510 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.132 -8.654 1.803 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.587 -5.189 1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.076 -8.180 -0.409 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.519 -6.993 -1.590 1.00 0.00 H new ATOM 348 N GLU A 35 -2.551 -10.454 4.693 1.00 0.00 N ATOM 349 CA GLU A 35 -1.935 -11.780 4.929 1.00 0.00 C ATOM 350 C GLU A 35 -0.819 -11.757 6.002 1.00 0.00 C ATOM 351 O GLU A 35 -0.767 -12.622 6.881 1.00 0.00 O ATOM 352 CB GLU A 35 -1.362 -12.294 3.578 1.00 0.00 C ATOM 353 CG GLU A 35 -2.366 -12.270 2.401 1.00 0.00 C ATOM 354 CD GLU A 35 -3.544 -13.240 2.591 1.00 0.00 C ATOM 355 OE1 GLU A 35 -3.412 -14.427 2.233 1.00 0.00 O ATOM 356 OE2 GLU A 35 -4.602 -12.828 3.122 1.00 0.00 O ATOM 0 H GLU A 35 -2.628 -10.232 3.700 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.708 -12.445 5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.496 -11.688 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.007 -13.315 3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.753 -11.258 2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.842 -12.521 1.479 1.00 0.00 H new ATOM 363 N GLU A 36 0.057 -10.748 5.906 1.00 0.00 N ATOM 364 CA GLU A 36 1.203 -10.561 6.822 1.00 0.00 C ATOM 365 C GLU A 36 1.268 -9.105 7.341 1.00 0.00 C ATOM 366 O GLU A 36 2.232 -8.720 8.009 1.00 0.00 O ATOM 367 CB GLU A 36 2.510 -10.973 6.078 1.00 0.00 C ATOM 368 CG GLU A 36 2.701 -10.293 4.708 1.00 0.00 C ATOM 369 CD GLU A 36 3.956 -10.758 3.951 1.00 0.00 C ATOM 370 OE1 GLU A 36 4.077 -11.975 3.673 1.00 0.00 O ATOM 371 OE2 GLU A 36 4.798 -9.914 3.585 1.00 0.00 O ATOM 0 H GLU A 36 -0.006 -10.029 5.185 1.00 0.00 H new ATOM 0 HA GLU A 36 1.082 -11.196 7.700 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.365 -10.735 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.509 -12.054 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.824 -10.488 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.755 -9.214 4.853 1.00 0.00 H new ATOM 378 N ILE A 37 0.229 -8.300 7.024 1.00 0.00 N ATOM 379 CA ILE A 37 0.124 -6.882 7.447 1.00 0.00 C ATOM 380 C ILE A 37 -1.135 -6.699 8.313 1.00 0.00 C ATOM 381 O ILE A 37 -2.148 -7.347 8.071 1.00 0.00 O ATOM 382 CB ILE A 37 0.067 -5.886 6.219 1.00 0.00 C ATOM 383 CG1 ILE A 37 1.239 -6.132 5.211 1.00 0.00 C ATOM 384 CG2 ILE A 37 0.057 -4.412 6.684 1.00 0.00 C ATOM 385 CD1 ILE A 37 0.972 -7.188 4.159 1.00 0.00 C ATOM 0 H ILE A 37 -0.564 -8.615 6.465 1.00 0.00 H new ATOM 0 HA ILE A 37 1.021 -6.644 8.018 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.869 -6.087 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.469 -5.192 4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.127 -6.419 5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.018 -3.756 5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.816 -4.235 7.312 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.962 -4.204 7.254 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.843 -7.284 3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.774 -8.144 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.106 -6.898 3.564 1.00 0.00 H new ATOM 397 N SER A 38 -1.065 -5.823 9.322 1.00 0.00 N ATOM 398 CA SER A 38 -2.213 -5.501 10.189 1.00 0.00 C ATOM 399 C SER A 38 -2.966 -4.261 9.654 1.00 0.00 C ATOM 400 O SER A 38 -2.348 -3.372 9.064 1.00 0.00 O ATOM 401 CB SER A 38 -1.706 -5.236 11.616 1.00 0.00 C ATOM 402 OG SER A 38 -0.937 -6.326 12.106 1.00 0.00 O ATOM 0 H SER A 38 -0.214 -5.316 9.563 1.00 0.00 H new ATOM 0 HA SER A 38 -2.905 -6.343 10.196 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.101 -4.329 11.626 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.554 -5.061 12.278 1.00 0.00 H new ATOM 0 HG SER A 38 -0.628 -6.126 13.014 1.00 0.00 H new ATOM 408 N ALA A 39 -4.302 -4.219 9.848 1.00 0.00 N ATOM 409 CA ALA A 39 -5.106 -3.009 9.591 1.00 0.00 C ATOM 410 C ALA A 39 -4.695 -1.902 10.577 1.00 0.00 C ATOM 411 O ALA A 39 -4.814 -2.082 11.791 1.00 0.00 O ATOM 412 CB ALA A 39 -6.601 -3.323 9.731 1.00 0.00 C ATOM 0 H ALA A 39 -4.846 -5.014 10.183 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.923 -2.666 8.573 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.182 -2.421 9.539 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.880 -4.094 9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.805 -3.677 10.741 1.00 0.00 H new ATOM 418 N GLY A 40 -4.180 -0.785 10.051 1.00 0.00 N ATOM 419 CA GLY A 40 -3.660 0.312 10.878 1.00 0.00 C ATOM 420 C GLY A 40 -2.164 0.505 10.690 1.00 0.00 C ATOM 421 O GLY A 40 -1.629 1.572 11.016 1.00 0.00 O ATOM 0 H GLY A 40 -4.112 -0.616 9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.180 1.236 10.624 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.870 0.106 11.928 1.00 0.00 H new ATOM 425 N ASP A 41 -1.493 -0.541 10.155 1.00 0.00 N ATOM 426 CA ASP A 41 -0.047 -0.521 9.865 1.00 0.00 C ATOM 427 C ASP A 41 0.265 0.475 8.749 1.00 0.00 C ATOM 428 O ASP A 41 -0.521 0.635 7.825 1.00 0.00 O ATOM 429 CB ASP A 41 0.465 -1.931 9.472 1.00 0.00 C ATOM 430 CG ASP A 41 1.987 -1.978 9.236 1.00 0.00 C ATOM 431 OD1 ASP A 41 2.724 -1.610 10.161 1.00 0.00 O ATOM 432 OD2 ASP A 41 2.450 -2.406 8.159 1.00 0.00 O ATOM 0 H ASP A 41 -1.944 -1.423 9.913 1.00 0.00 H new ATOM 0 HA ASP A 41 0.468 -0.208 10.773 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.204 -2.638 10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.047 -2.258 8.567 1.00 0.00 H new ATOM 437 N GLU A 42 1.417 1.143 8.845 1.00 0.00 N ATOM 438 CA GLU A 42 1.830 2.160 7.877 1.00 0.00 C ATOM 439 C GLU A 42 2.992 1.651 7.022 1.00 0.00 C ATOM 440 O GLU A 42 3.862 0.910 7.493 1.00 0.00 O ATOM 441 CB GLU A 42 2.184 3.483 8.597 1.00 0.00 C ATOM 442 CG GLU A 42 0.985 4.101 9.349 1.00 0.00 C ATOM 443 CD GLU A 42 1.292 5.479 9.943 1.00 0.00 C ATOM 444 OE1 GLU A 42 1.788 5.552 11.090 1.00 0.00 O ATOM 445 OE2 GLU A 42 1.051 6.497 9.264 1.00 0.00 O ATOM 0 H GLU A 42 2.090 0.993 9.597 1.00 0.00 H new ATOM 0 HA GLU A 42 0.996 2.364 7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.994 3.300 9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.555 4.200 7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.141 4.187 8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.680 3.427 10.149 1.00 0.00 H new ATOM 452 N GLY A 43 2.963 2.061 5.750 1.00 0.00 N ATOM 453 CA GLY A 43 3.966 1.697 4.764 1.00 0.00 C ATOM 454 C GLY A 43 4.495 2.908 4.035 1.00 0.00 C ATOM 455 O GLY A 43 4.249 4.037 4.464 1.00 0.00 O ATOM 0 H GLY A 43 2.229 2.663 5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.790 1.180 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.535 0.999 4.046 1.00 0.00 H new ATOM 459 N GLU A 44 5.242 2.679 2.947 1.00 0.00 N ATOM 460 CA GLU A 44 5.629 3.740 2.008 1.00 0.00 C ATOM 461 C GLU A 44 5.468 3.218 0.583 1.00 0.00 C ATOM 462 O GLU A 44 5.744 2.043 0.307 1.00 0.00 O ATOM 463 CB GLU A 44 7.087 4.233 2.229 1.00 0.00 C ATOM 464 CG GLU A 44 7.434 5.522 1.447 1.00 0.00 C ATOM 465 CD GLU A 44 8.895 5.950 1.612 1.00 0.00 C ATOM 466 OE1 GLU A 44 9.744 5.496 0.819 1.00 0.00 O ATOM 467 OE2 GLU A 44 9.204 6.730 2.538 1.00 0.00 O ATOM 0 H GLU A 44 5.594 1.756 2.693 1.00 0.00 H new ATOM 0 HA GLU A 44 4.977 4.596 2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.243 4.411 3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.777 3.443 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.225 5.365 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.785 6.330 1.784 1.00 0.00 H new ATOM 474 N PHE A 45 5.019 4.094 -0.305 1.00 0.00 N ATOM 475 CA PHE A 45 4.850 3.801 -1.724 1.00 0.00 C ATOM 476 C PHE A 45 6.157 4.097 -2.465 1.00 0.00 C ATOM 477 O PHE A 45 6.631 5.233 -2.442 1.00 0.00 O ATOM 478 CB PHE A 45 3.697 4.679 -2.241 1.00 0.00 C ATOM 479 CG PHE A 45 3.377 4.562 -3.728 1.00 0.00 C ATOM 480 CD1 PHE A 45 2.558 3.553 -4.207 1.00 0.00 C ATOM 481 CD2 PHE A 45 3.861 5.497 -4.636 1.00 0.00 C ATOM 482 CE1 PHE A 45 2.241 3.488 -5.541 1.00 0.00 C ATOM 483 CE2 PHE A 45 3.540 5.432 -5.967 1.00 0.00 C ATOM 484 CZ PHE A 45 2.731 4.428 -6.421 1.00 0.00 C ATOM 0 H PHE A 45 4.756 5.048 -0.056 1.00 0.00 H new ATOM 0 HA PHE A 45 4.610 2.751 -1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.798 4.432 -1.676 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.934 5.720 -2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.166 2.812 -3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.503 6.291 -4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.603 2.695 -5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.925 6.171 -6.654 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.476 4.372 -7.469 1.00 0.00 H new ATOM 494 N ARG A 46 6.761 3.063 -3.084 1.00 0.00 N ATOM 495 CA ARG A 46 7.984 3.238 -3.919 1.00 0.00 C ATOM 496 C ARG A 46 7.712 2.880 -5.389 1.00 0.00 C ATOM 497 O ARG A 46 8.068 3.651 -6.284 1.00 0.00 O ATOM 498 CB ARG A 46 9.258 2.503 -3.345 1.00 0.00 C ATOM 499 CG ARG A 46 9.028 1.215 -2.520 1.00 0.00 C ATOM 500 CD ARG A 46 8.540 1.470 -1.075 1.00 0.00 C ATOM 501 NE ARG A 46 9.412 2.396 -0.311 1.00 0.00 N ATOM 502 CZ ARG A 46 10.451 2.037 0.469 1.00 0.00 C ATOM 503 NH1 ARG A 46 10.897 0.788 0.487 1.00 0.00 N ATOM 504 NH2 ARG A 46 11.068 2.947 1.203 1.00 0.00 N ATOM 0 H ARG A 46 6.430 2.100 -3.027 1.00 0.00 H new ATOM 0 HA ARG A 46 8.231 4.299 -3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.909 2.254 -4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.801 3.211 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.296 0.592 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.959 0.649 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.530 1.879 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.482 0.519 -0.546 1.00 0.00 H new ATOM 0 HE ARG A 46 9.207 3.393 -0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.452 0.079 -0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.685 0.536 1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.758 3.918 1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.854 2.678 1.794 1.00 0.00 H new ATOM 518 N GLN A 47 7.059 1.728 -5.639 1.00 0.00 N ATOM 519 CA GLN A 47 6.793 1.242 -7.016 1.00 0.00 C ATOM 520 C GLN A 47 5.360 0.708 -7.127 1.00 0.00 C ATOM 521 O GLN A 47 4.800 0.214 -6.140 1.00 0.00 O ATOM 522 CB GLN A 47 7.831 0.157 -7.464 1.00 0.00 C ATOM 523 CG GLN A 47 7.763 -1.216 -6.739 1.00 0.00 C ATOM 524 CD GLN A 47 8.186 -1.177 -5.263 1.00 0.00 C ATOM 525 OE1 GLN A 47 7.238 -0.938 -4.365 1.00 0.00 O flip ATOM 526 NE2 GLN A 47 9.354 -1.359 -4.931 1.00 0.00 N flip ATOM 0 H GLN A 47 6.704 1.113 -4.907 1.00 0.00 H new ATOM 0 HA GLN A 47 6.903 2.089 -7.693 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.703 -0.016 -8.533 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.832 0.566 -7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.743 -1.596 -6.802 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.400 -1.924 -7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.064 -1.541 -5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.615 -1.328 -3.945 1.00 0.00 H new ATOM 535 N SER A 48 4.784 0.811 -8.340 1.00 0.00 N ATOM 536 CA SER A 48 3.403 0.397 -8.623 1.00 0.00 C ATOM 537 C SER A 48 3.263 -0.181 -10.027 1.00 0.00 C ATOM 538 O SER A 48 4.140 -0.004 -10.882 1.00 0.00 O ATOM 539 CB SER A 48 2.449 1.596 -8.483 1.00 0.00 C ATOM 540 OG SER A 48 2.818 2.673 -9.323 1.00 0.00 O ATOM 0 H SER A 48 5.270 1.187 -9.154 1.00 0.00 H new ATOM 0 HA SER A 48 3.144 -0.377 -7.900 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.434 1.281 -8.724 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.441 1.932 -7.446 1.00 0.00 H new ATOM 0 HG SER A 48 2.186 3.412 -9.204 1.00 0.00 H new ATOM 546 N ASN A 49 2.129 -0.855 -10.250 1.00 0.00 N ATOM 547 CA ASN A 49 1.737 -1.374 -11.556 1.00 0.00 C ATOM 548 C ASN A 49 0.343 -0.798 -11.873 1.00 0.00 C ATOM 549 O ASN A 49 -0.595 -0.972 -11.086 1.00 0.00 O ATOM 550 CB ASN A 49 1.696 -2.927 -11.542 1.00 0.00 C ATOM 551 CG ASN A 49 2.905 -3.593 -10.873 1.00 0.00 C ATOM 552 OD1 ASN A 49 2.792 -3.879 -9.578 1.00 0.00 O flip ATOM 553 ND2 ASN A 49 3.919 -3.863 -11.509 1.00 0.00 N flip ATOM 0 H ASN A 49 1.451 -1.056 -9.515 1.00 0.00 H new ATOM 0 HA ASN A 49 2.459 -1.079 -12.318 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.790 -3.249 -11.028 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.623 -3.284 -12.569 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.976 -3.631 -12.501 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.705 -4.319 -11.046 1.00 0.00 H new ATOM 560 N ASN A 50 0.232 -0.072 -12.993 1.00 0.00 N ATOM 561 CA ASN A 50 -1.034 0.569 -13.417 1.00 0.00 C ATOM 562 C ASN A 50 -1.969 -0.469 -14.071 1.00 0.00 C ATOM 563 O ASN A 50 -3.197 -0.344 -13.999 1.00 0.00 O ATOM 564 CB ASN A 50 -0.745 1.746 -14.391 1.00 0.00 C ATOM 565 CG ASN A 50 -0.103 2.988 -13.736 1.00 0.00 C ATOM 566 OD1 ASN A 50 0.706 2.817 -12.687 1.00 0.00 O flip ATOM 567 ND2 ASN A 50 -0.334 4.114 -14.186 1.00 0.00 N flip ATOM 0 H ASN A 50 1.009 0.091 -13.633 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.535 0.971 -12.536 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.087 1.390 -15.183 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.680 2.045 -14.864 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.955 4.225 -14.988 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.096 4.933 -13.756 1.00 0.00 H new ATOM 574 N GLY A 51 -1.360 -1.480 -14.715 1.00 0.00 N ATOM 575 CA GLY A 51 -2.101 -2.582 -15.335 1.00 0.00 C ATOM 576 C GLY A 51 -2.366 -3.733 -14.369 1.00 0.00 C ATOM 577 O GLY A 51 -3.413 -4.389 -14.450 1.00 0.00 O ATOM 0 H GLY A 51 -0.348 -1.552 -14.818 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.051 -2.207 -15.715 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.540 -2.955 -16.192 1.00 0.00 H new ATOM 581 N ILE A 52 -1.412 -3.991 -13.452 1.00 0.00 N ATOM 582 CA ILE A 52 -1.535 -5.072 -12.450 1.00 0.00 C ATOM 583 C ILE A 52 -1.964 -4.421 -11.113 1.00 0.00 C ATOM 584 O ILE A 52 -1.146 -3.759 -10.469 1.00 0.00 O ATOM 585 CB ILE A 52 -0.177 -5.858 -12.255 1.00 0.00 C ATOM 586 CG1 ILE A 52 0.526 -6.163 -13.620 1.00 0.00 C ATOM 587 CG2 ILE A 52 -0.383 -7.164 -11.448 1.00 0.00 C ATOM 588 CD1 ILE A 52 -0.248 -7.063 -14.575 1.00 0.00 C ATOM 0 H ILE A 52 -0.542 -3.462 -13.384 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.272 -5.798 -12.793 1.00 0.00 H new ATOM 0 HB ILE A 52 0.480 -5.204 -11.681 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.727 -5.217 -14.124 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.491 -6.626 -13.415 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.572 -7.676 -11.335 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.785 -6.924 -10.464 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.082 -7.812 -11.977 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.330 -7.208 -15.487 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.426 -8.028 -14.101 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.202 -6.597 -14.821 1.00 0.00 H new ATOM 600 N PRO A 53 -3.245 -4.585 -10.673 1.00 0.00 N ATOM 601 CA PRO A 53 -3.788 -3.837 -9.508 1.00 0.00 C ATOM 602 C PRO A 53 -3.108 -4.050 -8.099 1.00 0.00 C ATOM 603 O PRO A 53 -3.249 -3.157 -7.255 1.00 0.00 O ATOM 604 CB PRO A 53 -5.293 -4.220 -9.502 1.00 0.00 C ATOM 605 CG PRO A 53 -5.369 -5.524 -10.241 1.00 0.00 C ATOM 606 CD PRO A 53 -4.284 -5.459 -11.297 1.00 0.00 C ATOM 0 HA PRO A 53 -3.580 -2.776 -9.643 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.670 -4.321 -8.484 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.896 -3.455 -9.990 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.210 -6.366 -9.567 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.350 -5.660 -10.695 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.890 -6.448 -11.530 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.656 -5.037 -12.230 1.00 0.00 H new ATOM 614 N PRO A 54 -2.416 -5.196 -7.750 1.00 0.00 N ATOM 615 CA PRO A 54 -1.606 -5.246 -6.513 1.00 0.00 C ATOM 616 C PRO A 54 -0.314 -4.386 -6.620 1.00 0.00 C ATOM 617 O PRO A 54 0.602 -4.695 -7.392 1.00 0.00 O ATOM 618 CB PRO A 54 -1.306 -6.753 -6.333 1.00 0.00 C ATOM 619 CG PRO A 54 -1.369 -7.314 -7.715 1.00 0.00 C ATOM 620 CD PRO A 54 -2.445 -6.521 -8.416 1.00 0.00 C ATOM 0 HA PRO A 54 -2.126 -4.823 -5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.325 -6.912 -5.884 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.037 -7.228 -5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.411 -7.214 -8.225 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.611 -8.377 -7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.243 -6.434 -9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.420 -6.997 -8.313 1.00 0.00 H new ATOM 628 N VAL A 55 -0.302 -3.259 -5.878 1.00 0.00 N ATOM 629 CA VAL A 55 0.874 -2.381 -5.728 1.00 0.00 C ATOM 630 C VAL A 55 1.773 -2.863 -4.569 1.00 0.00 C ATOM 631 O VAL A 55 1.285 -3.378 -3.557 1.00 0.00 O ATOM 632 CB VAL A 55 0.451 -0.880 -5.481 1.00 0.00 C ATOM 633 CG1 VAL A 55 -0.490 -0.740 -4.268 1.00 0.00 C ATOM 634 CG2 VAL A 55 1.682 0.036 -5.305 1.00 0.00 C ATOM 0 H VAL A 55 -1.118 -2.931 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 55 1.434 -2.431 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.092 -0.561 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.757 0.308 -4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.394 -1.325 -4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.014 -1.104 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.352 1.061 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.267 -0.301 -4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.297 -0.004 -6.204 1.00 0.00 H new ATOM 644 N GLN A 56 3.096 -2.709 -4.749 1.00 0.00 N ATOM 645 CA GLN A 56 4.099 -3.059 -3.739 1.00 0.00 C ATOM 646 C GLN A 56 4.346 -1.830 -2.846 1.00 0.00 C ATOM 647 O GLN A 56 4.687 -0.747 -3.337 1.00 0.00 O ATOM 648 CB GLN A 56 5.430 -3.530 -4.399 1.00 0.00 C ATOM 649 CG GLN A 56 5.359 -4.837 -5.225 1.00 0.00 C ATOM 650 CD GLN A 56 4.482 -4.729 -6.478 1.00 0.00 C ATOM 651 OE1 GLN A 56 3.201 -5.027 -6.327 1.00 0.00 O flip ATOM 652 NE2 GLN A 56 4.944 -4.365 -7.557 1.00 0.00 N flip ATOM 0 H GLN A 56 3.499 -2.335 -5.608 1.00 0.00 H new ATOM 0 HA GLN A 56 3.726 -3.889 -3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.790 -2.733 -5.049 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.174 -3.661 -3.613 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.368 -5.123 -5.522 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.974 -5.636 -4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.936 -4.143 -7.638 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.335 -4.285 -8.371 1.00 0.00 H new ATOM 661 N VAL A 57 4.139 -2.003 -1.545 1.00 0.00 N ATOM 662 CA VAL A 57 4.350 -0.960 -0.524 1.00 0.00 C ATOM 663 C VAL A 57 5.136 -1.576 0.628 1.00 0.00 C ATOM 664 O VAL A 57 4.849 -2.703 1.034 1.00 0.00 O ATOM 665 CB VAL A 57 2.984 -0.333 0.007 1.00 0.00 C ATOM 666 CG1 VAL A 57 2.690 1.040 -0.631 1.00 0.00 C ATOM 667 CG2 VAL A 57 1.800 -1.292 -0.228 1.00 0.00 C ATOM 0 H VAL A 57 3.813 -2.887 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 57 4.904 -0.138 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 57 3.105 -0.184 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.750 1.429 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.497 1.733 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.615 0.930 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.883 -0.836 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.699 -1.491 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.980 -2.229 0.300 1.00 0.00 H new ATOM 677 N PHE A 58 6.144 -0.846 1.133 1.00 0.00 N ATOM 678 CA PHE A 58 7.024 -1.346 2.201 1.00 0.00 C ATOM 679 C PHE A 58 6.324 -1.171 3.548 1.00 0.00 C ATOM 680 O PHE A 58 6.274 -0.066 4.078 1.00 0.00 O ATOM 681 CB PHE A 58 8.381 -0.590 2.173 1.00 0.00 C ATOM 682 CG PHE A 58 9.403 -1.073 3.207 1.00 0.00 C ATOM 683 CD1 PHE A 58 10.201 -2.188 2.957 1.00 0.00 C ATOM 684 CD2 PHE A 58 9.562 -0.414 4.433 1.00 0.00 C ATOM 685 CE1 PHE A 58 11.120 -2.627 3.892 1.00 0.00 C ATOM 686 CE2 PHE A 58 10.479 -0.856 5.365 1.00 0.00 C ATOM 687 CZ PHE A 58 11.259 -1.963 5.095 1.00 0.00 C ATOM 0 H PHE A 58 6.370 0.097 0.817 1.00 0.00 H new ATOM 0 HA PHE A 58 7.230 -2.405 2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.816 -0.688 1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.194 0.471 2.335 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.100 -2.716 2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.957 0.454 4.652 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.731 -3.492 3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.587 -0.336 6.305 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.977 -2.309 5.824 1.00 0.00 H new ATOM 697 N TRP A 59 5.820 -2.275 4.087 1.00 0.00 N ATOM 698 CA TRP A 59 5.121 -2.324 5.372 1.00 0.00 C ATOM 699 C TRP A 59 6.113 -2.633 6.486 1.00 0.00 C ATOM 700 O TRP A 59 6.894 -3.588 6.368 1.00 0.00 O ATOM 701 CB TRP A 59 4.027 -3.402 5.331 1.00 0.00 C ATOM 702 CG TRP A 59 3.002 -3.186 4.253 1.00 0.00 C ATOM 703 CD1 TRP A 59 2.896 -3.854 3.066 1.00 0.00 C ATOM 704 CD2 TRP A 59 1.945 -2.227 4.274 1.00 0.00 C ATOM 705 NE1 TRP A 59 1.818 -3.387 2.365 1.00 0.00 N ATOM 706 CE2 TRP A 59 1.219 -2.381 3.087 1.00 0.00 C ATOM 707 CE3 TRP A 59 1.537 -1.260 5.195 1.00 0.00 C ATOM 708 CZ2 TRP A 59 0.106 -1.600 2.795 1.00 0.00 C ATOM 709 CZ3 TRP A 59 0.443 -0.484 4.905 1.00 0.00 C ATOM 710 CH2 TRP A 59 -0.268 -0.659 3.709 1.00 0.00 C ATOM 0 H TRP A 59 5.886 -3.186 3.633 1.00 0.00 H new ATOM 0 HA TRP A 59 4.658 -1.356 5.565 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.495 -4.376 5.185 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.523 -3.432 6.297 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.563 -4.634 2.731 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.509 -3.729 1.455 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.075 -1.125 6.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.444 -1.734 1.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.125 0.272 5.608 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.128 -0.037 3.508 1.00 0.00 H new ATOM 721 N GLN A 60 6.082 -1.828 7.557 1.00 0.00 N ATOM 722 CA GLN A 60 6.987 -1.990 8.703 1.00 0.00 C ATOM 723 C GLN A 60 6.655 -3.259 9.521 1.00 0.00 C ATOM 724 O GLN A 60 7.578 -3.913 10.023 1.00 0.00 O ATOM 725 CB GLN A 60 6.972 -0.726 9.600 1.00 0.00 C ATOM 726 CG GLN A 60 5.582 -0.343 10.129 1.00 0.00 C ATOM 727 CD GLN A 60 5.588 0.829 11.093 1.00 0.00 C ATOM 728 OE1 GLN A 60 5.444 1.981 10.693 1.00 0.00 O ATOM 729 NE2 GLN A 60 5.778 0.538 12.366 1.00 0.00 N ATOM 0 H GLN A 60 5.431 -1.049 7.653 1.00 0.00 H new ATOM 0 HA GLN A 60 7.996 -2.116 8.310 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.638 -0.888 10.447 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.376 0.113 9.033 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.937 -0.101 9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.144 -1.208 10.627 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.893 -0.433 12.655 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.810 1.284 13.061 1.00 0.00 H new ATOM 738 N SER A 61 5.345 -3.615 9.624 1.00 0.00 N ATOM 739 CA SER A 61 4.888 -4.773 10.444 1.00 0.00 C ATOM 740 C SER A 61 5.507 -6.091 9.947 1.00 0.00 C ATOM 741 O SER A 61 5.981 -6.903 10.746 1.00 0.00 O ATOM 742 CB SER A 61 3.346 -4.900 10.428 1.00 0.00 C ATOM 743 OG SER A 61 2.882 -5.959 11.256 1.00 0.00 O ATOM 0 H SER A 61 4.589 -3.119 9.151 1.00 0.00 H new ATOM 0 HA SER A 61 5.221 -4.586 11.465 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.903 -3.961 10.761 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.008 -5.067 9.405 1.00 0.00 H new ATOM 0 HG SER A 61 1.904 -6.001 11.216 1.00 0.00 H new ATOM 749 N THR A 62 5.497 -6.289 8.620 1.00 0.00 N ATOM 750 CA THR A 62 6.095 -7.479 7.986 1.00 0.00 C ATOM 751 C THR A 62 7.570 -7.225 7.616 1.00 0.00 C ATOM 752 O THR A 62 8.325 -8.173 7.370 1.00 0.00 O ATOM 753 CB THR A 62 5.273 -7.932 6.737 1.00 0.00 C ATOM 754 OG1 THR A 62 5.837 -9.127 6.189 1.00 0.00 O ATOM 755 CG2 THR A 62 5.192 -6.847 5.648 1.00 0.00 C ATOM 0 H THR A 62 5.078 -5.635 7.958 1.00 0.00 H new ATOM 0 HA THR A 62 6.065 -8.291 8.712 1.00 0.00 H new ATOM 0 HB THR A 62 4.255 -8.119 7.078 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.487 -9.269 5.285 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.609 -7.220 4.806 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.713 -5.957 6.056 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.197 -6.595 5.310 1.00 0.00 H new ATOM 763 N GLY A 63 7.971 -5.935 7.586 1.00 0.00 N ATOM 764 CA GLY A 63 9.367 -5.543 7.351 1.00 0.00 C ATOM 765 C GLY A 63 9.786 -5.571 5.885 1.00 0.00 C ATOM 766 O GLY A 63 10.985 -5.526 5.592 1.00 0.00 O ATOM 0 H GLY A 63 7.338 -5.147 7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.521 -4.537 7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.020 -6.208 7.917 1.00 0.00 H new ATOM 770 N ARG A 64 8.808 -5.644 4.961 1.00 0.00 N ATOM 771 CA ARG A 64 9.077 -5.851 3.518 1.00 0.00 C ATOM 772 C ARG A 64 7.954 -5.243 2.657 1.00 0.00 C ATOM 773 O ARG A 64 6.948 -4.764 3.188 1.00 0.00 O ATOM 774 CB ARG A 64 9.222 -7.373 3.241 1.00 0.00 C ATOM 775 CG ARG A 64 7.979 -8.204 3.637 1.00 0.00 C ATOM 776 CD ARG A 64 8.194 -9.716 3.503 1.00 0.00 C ATOM 777 NE ARG A 64 8.492 -10.113 2.110 1.00 0.00 N ATOM 778 CZ ARG A 64 7.706 -10.867 1.313 1.00 0.00 C ATOM 779 NH1 ARG A 64 6.521 -11.312 1.725 1.00 0.00 N ATOM 780 NH2 ARG A 64 8.114 -11.157 0.089 1.00 0.00 N ATOM 0 H ARG A 64 7.817 -5.562 5.187 1.00 0.00 H new ATOM 0 HA ARG A 64 10.005 -5.346 3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.423 -7.522 2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.088 -7.750 3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.708 -7.972 4.667 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.137 -7.907 3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.015 -10.024 4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.302 -10.241 3.846 1.00 0.00 H new ATOM 0 HE ARG A 64 9.374 -9.787 1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.189 -11.085 2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.945 -11.880 1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.014 -10.812 -0.244 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.528 -11.726 -0.522 1.00 0.00 H new ATOM 794 N THR A 65 8.123 -5.312 1.320 1.00 0.00 N ATOM 795 CA THR A 65 7.079 -4.913 0.356 1.00 0.00 C ATOM 796 C THR A 65 6.123 -6.079 0.120 1.00 0.00 C ATOM 797 O THR A 65 6.564 -7.226 -0.038 1.00 0.00 O ATOM 798 CB THR A 65 7.674 -4.466 -1.029 1.00 0.00 C ATOM 799 OG1 THR A 65 8.775 -5.312 -1.382 1.00 0.00 O ATOM 800 CG2 THR A 65 8.115 -2.998 -1.038 1.00 0.00 C ATOM 0 H THR A 65 8.982 -5.644 0.881 1.00 0.00 H new ATOM 0 HA THR A 65 6.557 -4.061 0.791 1.00 0.00 H new ATOM 0 HB THR A 65 6.878 -4.563 -1.767 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.140 -5.030 -2.246 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.517 -2.745 -2.019 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.259 -2.359 -0.821 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.883 -2.844 -0.280 1.00 0.00 H new ATOM 808 N TYR A 66 4.820 -5.769 0.090 1.00 0.00 N ATOM 809 CA TYR A 66 3.778 -6.757 -0.202 1.00 0.00 C ATOM 810 C TYR A 66 2.769 -6.177 -1.197 1.00 0.00 C ATOM 811 O TYR A 66 2.592 -4.954 -1.300 1.00 0.00 O ATOM 812 CB TYR A 66 3.067 -7.227 1.098 1.00 0.00 C ATOM 813 CG TYR A 66 2.281 -8.548 0.936 1.00 0.00 C ATOM 814 CD1 TYR A 66 2.960 -9.757 0.826 1.00 0.00 C ATOM 815 CD2 TYR A 66 0.879 -8.584 0.870 1.00 0.00 C ATOM 816 CE1 TYR A 66 2.287 -10.948 0.668 1.00 0.00 C ATOM 817 CE2 TYR A 66 0.204 -9.779 0.703 1.00 0.00 C ATOM 818 CZ TYR A 66 0.914 -10.956 0.604 1.00 0.00 C ATOM 819 OH TYR A 66 0.245 -12.149 0.427 1.00 0.00 O ATOM 0 H TYR A 66 4.462 -4.830 0.267 1.00 0.00 H new ATOM 0 HA TYR A 66 4.250 -7.631 -0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.812 -7.352 1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.383 -6.446 1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.039 -9.762 0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.319 -7.664 0.951 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.837 -11.874 0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.875 -9.790 0.650 1.00 0.00 H new ATOM 0 HH TYR A 66 0.764 -12.878 0.826 1.00 0.00 H new ATOM 829 N TRP A 67 2.108 -7.097 -1.897 1.00 0.00 N ATOM 830 CA TRP A 67 1.193 -6.823 -2.992 1.00 0.00 C ATOM 831 C TRP A 67 -0.222 -6.590 -2.433 1.00 0.00 C ATOM 832 O TRP A 67 -0.908 -7.548 -2.052 1.00 0.00 O ATOM 833 CB TRP A 67 1.232 -8.034 -3.970 1.00 0.00 C ATOM 834 CG TRP A 67 2.605 -8.318 -4.551 1.00 0.00 C ATOM 835 CD1 TRP A 67 3.054 -7.966 -5.787 1.00 0.00 C ATOM 836 CD2 TRP A 67 3.697 -9.022 -3.922 1.00 0.00 C ATOM 837 NE1 TRP A 67 4.351 -8.365 -5.952 1.00 0.00 N ATOM 838 CE2 TRP A 67 4.766 -9.025 -4.831 1.00 0.00 C ATOM 839 CE3 TRP A 67 3.873 -9.638 -2.679 1.00 0.00 C ATOM 840 CZ2 TRP A 67 5.993 -9.615 -4.539 1.00 0.00 C ATOM 841 CZ3 TRP A 67 5.086 -10.228 -2.388 1.00 0.00 C ATOM 842 CH2 TRP A 67 6.135 -10.212 -3.315 1.00 0.00 C ATOM 0 H TRP A 67 2.203 -8.094 -1.705 1.00 0.00 H new ATOM 0 HA TRP A 67 1.485 -5.922 -3.532 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.881 -8.922 -3.445 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.535 -7.850 -4.787 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.469 -7.446 -6.531 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.919 -8.196 -6.782 1.00 0.00 H new ATOM 0 HE3 TRP A 67 3.070 -9.652 -1.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 6.804 -9.602 -5.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.228 -10.709 -1.432 1.00 0.00 H new ATOM 0 HH2 TRP A 67 7.074 -10.680 -3.060 1.00 0.00 H new ATOM 853 N VAL A 68 -0.628 -5.310 -2.337 1.00 0.00 N ATOM 854 CA VAL A 68 -1.953 -4.918 -1.800 1.00 0.00 C ATOM 855 C VAL A 68 -2.769 -4.217 -2.896 1.00 0.00 C ATOM 856 O VAL A 68 -2.202 -3.611 -3.806 1.00 0.00 O ATOM 857 CB VAL A 68 -1.854 -3.992 -0.515 1.00 0.00 C ATOM 858 CG1 VAL A 68 -0.903 -4.598 0.550 1.00 0.00 C ATOM 859 CG2 VAL A 68 -1.460 -2.537 -0.868 1.00 0.00 C ATOM 0 H VAL A 68 -0.053 -4.519 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.454 -5.833 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.852 -3.949 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.859 -3.938 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.276 -5.575 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.095 -4.708 0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.405 -1.943 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.489 -2.533 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.208 -2.109 -1.535 1.00 0.00 H new ATOM 869 N HIS A 69 -4.099 -4.294 -2.790 1.00 0.00 N ATOM 870 CA HIS A 69 -5.016 -3.723 -3.791 1.00 0.00 C ATOM 871 C HIS A 69 -5.258 -2.229 -3.480 1.00 0.00 C ATOM 872 O HIS A 69 -5.302 -1.838 -2.306 1.00 0.00 O ATOM 873 CB HIS A 69 -6.348 -4.524 -3.800 1.00 0.00 C ATOM 874 CG HIS A 69 -7.100 -4.480 -5.108 1.00 0.00 C ATOM 875 ND1 HIS A 69 -8.348 -3.912 -5.266 1.00 0.00 N ATOM 876 CD2 HIS A 69 -6.773 -4.980 -6.320 1.00 0.00 C ATOM 877 CE1 HIS A 69 -8.751 -4.073 -6.509 1.00 0.00 C ATOM 878 NE2 HIS A 69 -7.816 -4.715 -7.172 1.00 0.00 N ATOM 0 H HIS A 69 -4.573 -4.752 -2.011 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.572 -3.795 -4.784 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.133 -5.564 -3.555 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.994 -4.138 -3.012 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.858 -5.495 -6.572 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -9.692 -3.734 -6.915 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -7.858 -4.974 -8.158 1.00 0.00 H new ATOM 887 N TRP A 70 -5.445 -1.422 -4.544 1.00 0.00 N ATOM 888 CA TRP A 70 -5.572 0.055 -4.451 1.00 0.00 C ATOM 889 C TRP A 70 -6.752 0.499 -3.555 1.00 0.00 C ATOM 890 O TRP A 70 -6.634 1.455 -2.786 1.00 0.00 O ATOM 891 CB TRP A 70 -5.754 0.660 -5.865 1.00 0.00 C ATOM 892 CG TRP A 70 -4.582 0.464 -6.793 1.00 0.00 C ATOM 893 CD1 TRP A 70 -4.456 -0.471 -7.779 1.00 0.00 C ATOM 894 CD2 TRP A 70 -3.372 1.241 -6.819 1.00 0.00 C ATOM 895 NE1 TRP A 70 -3.242 -0.340 -8.405 1.00 0.00 N ATOM 896 CE2 TRP A 70 -2.562 0.711 -7.840 1.00 0.00 C ATOM 897 CE3 TRP A 70 -2.900 2.335 -6.077 1.00 0.00 C ATOM 898 CZ2 TRP A 70 -1.306 1.234 -8.136 1.00 0.00 C ATOM 899 CZ3 TRP A 70 -1.655 2.853 -6.370 1.00 0.00 C ATOM 900 CH2 TRP A 70 -0.872 2.306 -7.392 1.00 0.00 C ATOM 0 H TRP A 70 -5.513 -1.774 -5.499 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.653 0.421 -3.993 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.639 0.218 -6.322 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.946 1.728 -5.766 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -5.204 -1.208 -8.030 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -2.900 -0.927 -9.166 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.502 2.764 -5.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.695 0.813 -8.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.280 3.692 -5.803 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.096 2.736 -7.602 1.00 0.00 H new ATOM 911 N HIS A 71 -7.884 -0.218 -3.671 1.00 0.00 N ATOM 912 CA HIS A 71 -9.134 0.115 -2.953 1.00 0.00 C ATOM 913 C HIS A 71 -9.017 -0.138 -1.423 1.00 0.00 C ATOM 914 O HIS A 71 -9.785 0.427 -0.639 1.00 0.00 O ATOM 915 CB HIS A 71 -10.311 -0.678 -3.577 1.00 0.00 C ATOM 916 CG HIS A 71 -11.671 -0.338 -3.018 1.00 0.00 C ATOM 917 ND1 HIS A 71 -12.193 -0.924 -1.884 1.00 0.00 N ATOM 918 CD2 HIS A 71 -12.604 0.537 -3.446 1.00 0.00 C ATOM 919 CE1 HIS A 71 -13.384 -0.421 -1.642 1.00 0.00 C ATOM 920 NE2 HIS A 71 -13.656 0.466 -2.573 1.00 0.00 N ATOM 0 H HIS A 71 -7.961 -1.044 -4.264 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.325 1.182 -3.067 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.321 -0.500 -4.652 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.130 -1.743 -3.432 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -12.534 1.174 -4.315 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -14.029 -0.691 -0.819 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -14.514 1.014 -2.635 1.00 0.00 H new ATOM 929 N MET A 72 -8.051 -0.984 -1.004 1.00 0.00 N ATOM 930 CA MET A 72 -7.748 -1.219 0.434 1.00 0.00 C ATOM 931 C MET A 72 -6.432 -0.532 0.852 1.00 0.00 C ATOM 932 O MET A 72 -5.898 -0.808 1.935 1.00 0.00 O ATOM 933 CB MET A 72 -7.717 -2.742 0.760 1.00 0.00 C ATOM 934 CG MET A 72 -9.107 -3.399 0.833 1.00 0.00 C ATOM 935 SD MET A 72 -9.044 -5.149 1.292 1.00 0.00 S ATOM 936 CE MET A 72 -8.127 -5.872 -0.070 1.00 0.00 C ATOM 0 H MET A 72 -7.462 -1.520 -1.641 1.00 0.00 H new ATOM 0 HA MET A 72 -8.552 -0.770 1.017 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.125 -3.253 0.000 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.208 -2.888 1.713 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.718 -2.862 1.558 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.600 -3.301 -0.134 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.020 -6.945 0.092 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.663 -5.698 -1.003 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.140 -5.414 -0.128 1.00 0.00 H new ATOM 946 N LEU A 73 -5.930 0.382 0.007 1.00 0.00 N ATOM 947 CA LEU A 73 -4.773 1.228 0.336 1.00 0.00 C ATOM 948 C LEU A 73 -5.287 2.639 0.655 1.00 0.00 C ATOM 949 O LEU A 73 -5.940 3.273 -0.178 1.00 0.00 O ATOM 950 CB LEU A 73 -3.736 1.221 -0.842 1.00 0.00 C ATOM 951 CG LEU A 73 -2.328 1.893 -0.572 1.00 0.00 C ATOM 952 CD1 LEU A 73 -1.261 1.383 -1.561 1.00 0.00 C ATOM 953 CD2 LEU A 73 -2.384 3.439 -0.636 1.00 0.00 C ATOM 0 H LEU A 73 -6.314 0.555 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.248 0.841 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.565 0.185 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.191 1.723 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.051 1.604 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.307 1.865 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.154 0.303 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.567 1.620 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.392 3.847 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.719 3.750 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.081 3.809 0.116 1.00 0.00 H new ATOM 965 N GLU A 74 -4.985 3.114 1.866 1.00 0.00 N ATOM 966 CA GLU A 74 -5.238 4.503 2.292 1.00 0.00 C ATOM 967 C GLU A 74 -3.897 5.249 2.346 1.00 0.00 C ATOM 968 O GLU A 74 -2.859 4.623 2.494 1.00 0.00 O ATOM 969 CB GLU A 74 -5.920 4.521 3.687 1.00 0.00 C ATOM 970 CG GLU A 74 -6.234 5.932 4.227 1.00 0.00 C ATOM 971 CD GLU A 74 -6.828 5.907 5.637 1.00 0.00 C ATOM 972 OE1 GLU A 74 -8.060 5.765 5.773 1.00 0.00 O ATOM 973 OE2 GLU A 74 -6.062 5.993 6.619 1.00 0.00 O ATOM 0 H GLU A 74 -4.552 2.542 2.591 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.905 4.992 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.848 3.952 3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.274 4.008 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.320 6.526 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.932 6.428 3.552 1.00 0.00 H new ATOM 980 N ILE A 75 -3.915 6.573 2.157 1.00 0.00 N ATOM 981 CA ILE A 75 -2.715 7.419 2.303 1.00 0.00 C ATOM 982 C ILE A 75 -2.842 8.385 3.490 1.00 0.00 C ATOM 983 O ILE A 75 -3.829 9.116 3.606 1.00 0.00 O ATOM 984 CB ILE A 75 -2.396 8.199 0.975 1.00 0.00 C ATOM 985 CG1 ILE A 75 -3.669 8.910 0.398 1.00 0.00 C ATOM 986 CG2 ILE A 75 -1.779 7.236 -0.050 1.00 0.00 C ATOM 987 CD1 ILE A 75 -3.463 9.606 -0.935 1.00 0.00 C ATOM 0 H ILE A 75 -4.755 7.091 1.900 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.877 6.753 2.509 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.676 8.986 1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.461 8.170 0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.018 9.644 1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.558 7.777 -0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.858 6.816 0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.483 6.431 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.398 10.068 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.696 10.374 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.147 8.877 -1.681 1.00 0.00 H new ATOM 999 N LEU A 76 -1.844 8.348 4.387 1.00 0.00 N ATOM 1000 CA LEU A 76 -1.652 9.375 5.439 1.00 0.00 C ATOM 1001 C LEU A 76 -0.480 10.306 5.061 1.00 0.00 C ATOM 1002 O LEU A 76 -0.067 11.153 5.866 1.00 0.00 O ATOM 1003 CB LEU A 76 -1.422 8.712 6.827 1.00 0.00 C ATOM 1004 CG LEU A 76 -2.612 7.868 7.391 1.00 0.00 C ATOM 1005 CD1 LEU A 76 -2.309 7.339 8.811 1.00 0.00 C ATOM 1006 CD2 LEU A 76 -3.936 8.667 7.365 1.00 0.00 C ATOM 0 H LEU A 76 -1.143 7.607 4.408 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.558 9.976 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.546 8.067 6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.185 9.496 7.547 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.734 7.005 6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.157 6.757 9.171 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.422 6.707 8.782 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.134 8.179 9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.741 8.050 7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.831 9.565 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.170 8.950 6.339 1.00 0.00 H new ATOM 1018 N GLY A 77 0.045 10.122 3.826 1.00 0.00 N ATOM 1019 CA GLY A 77 1.080 10.984 3.257 1.00 0.00 C ATOM 1020 C GLY A 77 0.636 12.446 3.162 1.00 0.00 C ATOM 1021 O GLY A 77 1.204 13.301 3.857 1.00 0.00 O ATOM 0 H GLY A 77 -0.245 9.367 3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.979 10.920 3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.344 10.622 2.263 1.00 0.00 H new TER 1025 GLY A 77