USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 424 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 27 LYS NZ :NH3+ -172:sc= 0.188 (180deg=0) USER MOD Set 1.2: A 49 THR OG1 : rot -140:sc= 0.146 USER MOD Single : A 9 THR OG1 : rot 3:sc= 0.822 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -162:sc= 1.02 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0438 USER MOD Single : A 20 THR OG1 : rot -60:sc= -0.296! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -60:sc= -3.15! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.477 X(o=-0.48,f=0) USER MOD Single : A 37 ASN : amide:sc= -1.35 K(o=-1.4,f=-5!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.46 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -3.2! C(o=-5.5!,f=-3.2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -79:sc= 0.959 USER MOD Single : A 59 ASN : amide:sc= -0.399 K(o=-0.4,f=-1.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -82:sc= 0.962 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 15.446 14.437 -4.178 1.00 0.00 N ATOM 2 CA THR A 9 14.445 14.475 -3.075 1.00 0.00 C ATOM 3 C THR A 9 13.390 13.391 -3.309 1.00 0.00 C ATOM 4 O THR A 9 12.204 13.655 -3.309 1.00 0.00 O ATOM 5 CB THR A 9 13.770 15.849 -3.043 1.00 0.00 C ATOM 6 OG1 THR A 9 14.577 16.786 -3.741 1.00 0.00 O ATOM 7 CG2 THR A 9 13.598 16.301 -1.592 1.00 0.00 C ATOM 0 HA THR A 9 14.945 14.296 -2.123 1.00 0.00 H new ATOM 0 HB THR A 9 12.791 15.786 -3.519 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.355 16.328 -4.123 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.117 17.279 -1.570 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.979 15.581 -1.057 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.575 16.366 -1.113 1.00 0.00 H new ATOM 17 N PHE A 10 13.814 12.173 -3.509 1.00 0.00 N ATOM 18 CA PHE A 10 12.838 11.072 -3.741 1.00 0.00 C ATOM 19 C PHE A 10 12.589 10.331 -2.426 1.00 0.00 C ATOM 20 O PHE A 10 12.946 10.802 -1.364 1.00 0.00 O ATOM 21 CB PHE A 10 13.404 10.105 -4.785 1.00 0.00 C ATOM 22 CG PHE A 10 13.173 10.682 -6.182 1.00 0.00 C ATOM 23 CD1 PHE A 10 13.982 11.693 -6.666 1.00 0.00 C ATOM 24 CD2 PHE A 10 12.149 10.202 -6.977 1.00 0.00 C ATOM 25 CE1 PHE A 10 13.771 12.217 -7.925 1.00 0.00 C ATOM 26 CE2 PHE A 10 11.937 10.725 -8.237 1.00 0.00 C ATOM 27 CZ PHE A 10 12.748 11.732 -8.710 1.00 0.00 C ATOM 0 H PHE A 10 14.795 11.893 -3.522 1.00 0.00 H new ATOM 0 HA PHE A 10 11.897 11.483 -4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.469 9.949 -4.614 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.921 9.132 -4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.785 12.076 -6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.510 9.412 -6.610 1.00 0.00 H new ATOM 0 HE1 PHE A 10 14.408 13.007 -8.295 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.135 10.344 -8.852 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.582 12.141 -9.696 1.00 0.00 H new ATOM 37 N VAL A 11 11.980 9.177 -2.480 1.00 0.00 N ATOM 38 CA VAL A 11 11.717 8.422 -1.223 1.00 0.00 C ATOM 39 C VAL A 11 11.705 6.923 -1.526 1.00 0.00 C ATOM 40 O VAL A 11 10.760 6.400 -2.082 1.00 0.00 O ATOM 41 CB VAL A 11 10.359 8.835 -0.646 1.00 0.00 C ATOM 42 CG1 VAL A 11 10.399 8.716 0.878 1.00 0.00 C ATOM 43 CG2 VAL A 11 10.050 10.284 -1.034 1.00 0.00 C ATOM 0 H VAL A 11 11.655 8.727 -3.336 1.00 0.00 H new ATOM 0 HA VAL A 11 12.500 8.644 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 11 9.584 8.182 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.434 9.009 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.615 7.685 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.177 9.369 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.083 10.573 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.825 10.940 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.022 10.372 -2.120 1.00 0.00 H new ATOM 53 N ALA A 12 12.747 6.227 -1.164 1.00 0.00 N ATOM 54 CA ALA A 12 12.793 4.762 -1.433 1.00 0.00 C ATOM 55 C ALA A 12 11.616 4.076 -0.734 1.00 0.00 C ATOM 56 O ALA A 12 11.718 3.640 0.393 1.00 0.00 O ATOM 57 CB ALA A 12 14.111 4.189 -0.910 1.00 0.00 C ATOM 0 H ALA A 12 13.568 6.609 -0.694 1.00 0.00 H new ATOM 0 HA ALA A 12 12.725 4.586 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.145 3.117 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.945 4.677 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.183 4.364 0.164 1.00 0.00 H new ATOM 63 N LEU A 13 10.499 3.981 -1.405 1.00 0.00 N ATOM 64 CA LEU A 13 9.301 3.330 -0.810 1.00 0.00 C ATOM 65 C LEU A 13 9.706 2.119 0.028 1.00 0.00 C ATOM 66 O LEU A 13 9.145 1.867 1.076 1.00 0.00 O ATOM 67 CB LEU A 13 8.384 2.846 -1.932 1.00 0.00 C ATOM 68 CG LEU A 13 7.691 4.031 -2.598 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.925 3.525 -3.820 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.714 4.670 -1.610 1.00 0.00 C ATOM 0 H LEU A 13 10.367 4.333 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 13 8.792 4.057 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.963 2.292 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.639 2.159 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 13 8.429 4.773 -2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.424 4.361 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.621 3.062 -4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.183 2.791 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.218 5.517 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.968 3.935 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.259 5.015 -0.731 1.00 0.00 H new ATOM 82 N TYR A 14 10.671 1.361 -0.417 1.00 0.00 N ATOM 83 CA TYR A 14 11.081 0.170 0.382 1.00 0.00 C ATOM 84 C TYR A 14 12.582 -0.099 0.253 1.00 0.00 C ATOM 85 O TYR A 14 13.223 0.303 -0.697 1.00 0.00 O ATOM 86 CB TYR A 14 10.326 -1.055 -0.134 1.00 0.00 C ATOM 87 CG TYR A 14 8.824 -0.767 -0.178 1.00 0.00 C ATOM 88 CD1 TYR A 14 8.241 -0.217 -1.306 1.00 0.00 C ATOM 89 CD2 TYR A 14 8.024 -1.075 0.903 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.881 0.014 -1.348 1.00 0.00 C ATOM 91 CE2 TYR A 14 6.665 -0.842 0.860 1.00 0.00 C ATOM 92 CZ TYR A 14 6.083 -0.296 -0.265 1.00 0.00 C ATOM 93 OH TYR A 14 4.724 -0.061 -0.306 1.00 0.00 O ATOM 0 H TYR A 14 11.186 1.510 -1.285 1.00 0.00 H new ATOM 0 HA TYR A 14 10.849 0.365 1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.683 -1.319 -1.130 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.521 -1.911 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.854 0.033 -2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.466 -1.502 1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.437 0.441 -2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.052 -1.089 1.714 1.00 0.00 H new ATOM 0 HH TYR A 14 4.318 -0.340 0.541 1.00 0.00 H new ATOM 103 N ASP A 15 13.140 -0.774 1.224 1.00 0.00 N ATOM 104 CA ASP A 15 14.595 -1.094 1.192 1.00 0.00 C ATOM 105 C ASP A 15 14.801 -2.358 0.349 1.00 0.00 C ATOM 106 O ASP A 15 15.159 -3.397 0.868 1.00 0.00 O ATOM 107 CB ASP A 15 15.088 -1.358 2.617 1.00 0.00 C ATOM 108 CG ASP A 15 14.294 -2.515 3.224 1.00 0.00 C ATOM 109 OD1 ASP A 15 13.179 -2.279 3.659 1.00 0.00 O ATOM 110 OD2 ASP A 15 14.815 -3.618 3.245 1.00 0.00 O ATOM 0 H ASP A 15 12.643 -1.120 2.045 1.00 0.00 H new ATOM 0 HA ASP A 15 15.150 -0.260 0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.151 -1.598 2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.969 -0.462 3.226 1.00 0.00 H new ATOM 115 N TYR A 16 14.551 -2.271 -0.939 1.00 0.00 N ATOM 116 CA TYR A 16 14.720 -3.450 -1.855 1.00 0.00 C ATOM 117 C TYR A 16 15.751 -4.436 -1.297 1.00 0.00 C ATOM 118 O TYR A 16 16.906 -4.111 -1.109 1.00 0.00 O ATOM 119 CB TYR A 16 15.123 -2.934 -3.264 1.00 0.00 C ATOM 120 CG TYR A 16 16.385 -3.626 -3.833 1.00 0.00 C ATOM 121 CD1 TYR A 16 16.518 -5.004 -3.834 1.00 0.00 C ATOM 122 CD2 TYR A 16 17.398 -2.866 -4.388 1.00 0.00 C ATOM 123 CE1 TYR A 16 17.640 -5.604 -4.378 1.00 0.00 C ATOM 124 CE2 TYR A 16 18.516 -3.467 -4.934 1.00 0.00 C ATOM 125 CZ TYR A 16 18.644 -4.839 -4.931 1.00 0.00 C ATOM 126 OH TYR A 16 19.762 -5.438 -5.476 1.00 0.00 O ATOM 0 H TYR A 16 14.232 -1.420 -1.402 1.00 0.00 H new ATOM 0 HA TYR A 16 13.778 -3.993 -1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 16 14.291 -3.089 -3.951 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.298 -1.859 -3.213 1.00 0.00 H new ATOM 0 HD1 TYR A 16 15.738 -5.617 -3.406 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.314 -1.789 -4.395 1.00 0.00 H new ATOM 0 HE1 TYR A 16 17.730 -6.680 -4.369 1.00 0.00 H new ATOM 0 HE2 TYR A 16 19.295 -2.857 -5.366 1.00 0.00 H new ATOM 0 HH TYR A 16 20.481 -4.777 -5.557 1.00 0.00 H new ATOM 136 N GLU A 17 15.327 -5.644 -1.028 1.00 0.00 N ATOM 137 CA GLU A 17 16.261 -6.667 -0.485 1.00 0.00 C ATOM 138 C GLU A 17 17.124 -7.183 -1.634 1.00 0.00 C ATOM 139 O GLU A 17 16.650 -7.353 -2.738 1.00 0.00 O ATOM 140 CB GLU A 17 15.465 -7.823 0.125 1.00 0.00 C ATOM 141 CG GLU A 17 16.422 -8.941 0.541 1.00 0.00 C ATOM 142 CD GLU A 17 15.945 -9.553 1.860 1.00 0.00 C ATOM 143 OE1 GLU A 17 14.786 -9.928 1.932 1.00 0.00 O ATOM 144 OE2 GLU A 17 16.747 -9.635 2.777 1.00 0.00 O ATOM 0 H GLU A 17 14.368 -5.964 -1.163 1.00 0.00 H new ATOM 0 HA GLU A 17 16.890 -6.229 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.901 -7.473 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.741 -8.200 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.463 -9.706 -0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.432 -8.547 0.654 1.00 0.00 H new ATOM 151 N SER A 18 18.376 -7.443 -1.380 1.00 0.00 N ATOM 152 CA SER A 18 19.280 -7.947 -2.455 1.00 0.00 C ATOM 153 C SER A 18 18.540 -8.891 -3.405 1.00 0.00 C ATOM 154 O SER A 18 17.894 -9.834 -2.992 1.00 0.00 O ATOM 155 CB SER A 18 20.453 -8.688 -1.827 1.00 0.00 C ATOM 156 OG SER A 18 20.169 -8.958 -0.462 1.00 0.00 O ATOM 0 H SER A 18 18.816 -7.328 -0.467 1.00 0.00 H new ATOM 0 HA SER A 18 19.637 -7.091 -3.027 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.636 -9.620 -2.362 1.00 0.00 H new ATOM 0 HB3 SER A 18 21.360 -8.090 -1.909 1.00 0.00 H new ATOM 0 HG SER A 18 20.924 -9.436 -0.059 1.00 0.00 H new ATOM 162 N ARG A 19 18.637 -8.632 -4.679 1.00 0.00 N ATOM 163 CA ARG A 19 17.955 -9.490 -5.686 1.00 0.00 C ATOM 164 C ARG A 19 18.639 -9.298 -7.042 1.00 0.00 C ATOM 165 O ARG A 19 18.069 -9.562 -8.082 1.00 0.00 O ATOM 166 CB ARG A 19 16.484 -9.082 -5.792 1.00 0.00 C ATOM 167 CG ARG A 19 15.600 -10.222 -5.282 1.00 0.00 C ATOM 168 CD ARG A 19 14.844 -9.762 -4.033 1.00 0.00 C ATOM 169 NE ARG A 19 13.421 -9.494 -4.383 1.00 0.00 N ATOM 170 CZ ARG A 19 12.507 -9.503 -3.451 1.00 0.00 C ATOM 171 NH1 ARG A 19 12.856 -9.485 -2.194 1.00 0.00 N ATOM 172 NH2 ARG A 19 11.244 -9.531 -3.777 1.00 0.00 N ATOM 0 H ARG A 19 19.167 -7.853 -5.069 1.00 0.00 H new ATOM 0 HA ARG A 19 18.016 -10.536 -5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.303 -8.179 -5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.234 -8.849 -6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.895 -10.524 -6.056 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.211 -11.094 -5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 19 14.901 -10.527 -3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 19 15.305 -8.862 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 19 13.161 -9.304 -5.351 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.843 -9.464 -1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.141 -9.492 -1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.971 -9.546 -4.760 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.529 -9.538 -3.049 1.00 0.00 H new ATOM 186 N THR A 20 19.863 -8.839 -7.033 1.00 0.00 N ATOM 187 CA THR A 20 20.598 -8.623 -8.311 1.00 0.00 C ATOM 188 C THR A 20 22.061 -8.297 -8.000 1.00 0.00 C ATOM 189 O THR A 20 22.375 -7.735 -6.969 1.00 0.00 O ATOM 190 CB THR A 20 19.967 -7.454 -9.072 1.00 0.00 C ATOM 191 OG1 THR A 20 18.579 -7.395 -8.777 1.00 0.00 O ATOM 192 CG2 THR A 20 20.165 -7.657 -10.575 1.00 0.00 C ATOM 0 H THR A 20 20.387 -8.604 -6.190 1.00 0.00 H new ATOM 0 HA THR A 20 20.544 -9.524 -8.922 1.00 0.00 H new ATOM 0 HB THR A 20 20.442 -6.521 -8.769 1.00 0.00 H new ATOM 0 HG1 THR A 20 18.151 -8.235 -9.046 1.00 0.00 H new ATOM 0 HG21 THR A 20 19.716 -6.825 -11.117 1.00 0.00 H new ATOM 0 HG22 THR A 20 21.231 -7.703 -10.799 1.00 0.00 H new ATOM 0 HG23 THR A 20 19.690 -8.589 -10.882 1.00 0.00 H new ATOM 200 N GLU A 21 22.960 -8.646 -8.878 1.00 0.00 N ATOM 201 CA GLU A 21 24.397 -8.356 -8.630 1.00 0.00 C ATOM 202 C GLU A 21 24.756 -6.981 -9.202 1.00 0.00 C ATOM 203 O GLU A 21 25.690 -6.341 -8.761 1.00 0.00 O ATOM 204 CB GLU A 21 25.245 -9.428 -9.310 1.00 0.00 C ATOM 205 CG GLU A 21 24.733 -9.655 -10.735 1.00 0.00 C ATOM 206 CD GLU A 21 25.911 -9.616 -11.710 1.00 0.00 C ATOM 207 OE1 GLU A 21 27.002 -9.980 -11.306 1.00 0.00 O ATOM 208 OE2 GLU A 21 25.700 -9.223 -12.846 1.00 0.00 O ATOM 0 H GLU A 21 22.759 -9.121 -9.758 1.00 0.00 H new ATOM 0 HA GLU A 21 24.589 -8.356 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 21 26.290 -9.120 -9.332 1.00 0.00 H new ATOM 0 HB3 GLU A 21 25.199 -10.358 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 21 24.223 -10.616 -10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 21 24.004 -8.889 -10.998 1.00 0.00 H new ATOM 215 N THR A 22 24.025 -6.523 -10.181 1.00 0.00 N ATOM 216 CA THR A 22 24.330 -5.191 -10.778 1.00 0.00 C ATOM 217 C THR A 22 23.554 -4.098 -10.038 1.00 0.00 C ATOM 218 O THR A 22 23.368 -3.009 -10.545 1.00 0.00 O ATOM 219 CB THR A 22 23.923 -5.191 -12.253 1.00 0.00 C ATOM 220 OG1 THR A 22 24.046 -6.506 -12.778 1.00 0.00 O ATOM 221 CG2 THR A 22 24.832 -4.240 -13.035 1.00 0.00 C ATOM 0 H THR A 22 23.231 -7.012 -10.593 1.00 0.00 H new ATOM 0 HA THR A 22 25.399 -4.995 -10.690 1.00 0.00 H new ATOM 0 HB THR A 22 22.889 -4.859 -12.344 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.784 -6.507 -13.722 1.00 0.00 H new ATOM 0 HG21 THR A 22 24.541 -4.241 -14.086 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.736 -3.232 -12.632 1.00 0.00 H new ATOM 0 HG23 THR A 22 25.867 -4.570 -12.945 1.00 0.00 H new ATOM 229 N ASP A 23 23.099 -4.374 -8.847 1.00 0.00 N ATOM 230 CA ASP A 23 22.336 -3.343 -8.085 1.00 0.00 C ATOM 231 C ASP A 23 22.396 -3.656 -6.594 1.00 0.00 C ATOM 232 O ASP A 23 21.953 -4.694 -6.146 1.00 0.00 O ATOM 233 CB ASP A 23 20.875 -3.339 -8.541 1.00 0.00 C ATOM 234 CG ASP A 23 20.811 -3.529 -10.058 1.00 0.00 C ATOM 235 OD1 ASP A 23 21.087 -2.575 -10.768 1.00 0.00 O ATOM 236 OD2 ASP A 23 20.486 -4.624 -10.485 1.00 0.00 O ATOM 0 H ASP A 23 23.222 -5.266 -8.369 1.00 0.00 H new ATOM 0 HA ASP A 23 22.778 -2.364 -8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.325 -4.136 -8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.399 -2.399 -8.261 1.00 0.00 H new ATOM 241 N LEU A 24 22.944 -2.762 -5.823 1.00 0.00 N ATOM 242 CA LEU A 24 23.035 -2.999 -4.361 1.00 0.00 C ATOM 243 C LEU A 24 21.671 -2.743 -3.732 1.00 0.00 C ATOM 244 O LEU A 24 20.842 -2.053 -4.288 1.00 0.00 O ATOM 245 CB LEU A 24 24.064 -2.051 -3.759 1.00 0.00 C ATOM 246 CG LEU A 24 25.449 -2.423 -4.280 1.00 0.00 C ATOM 247 CD1 LEU A 24 25.697 -1.731 -5.622 1.00 0.00 C ATOM 248 CD2 LEU A 24 26.498 -1.970 -3.271 1.00 0.00 C ATOM 0 H LEU A 24 23.333 -1.876 -6.144 1.00 0.00 H new ATOM 0 HA LEU A 24 23.339 -4.028 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 24 23.827 -1.021 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 24 24.042 -2.114 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 24 25.511 -3.503 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 24 26.687 -1.998 -5.992 1.00 0.00 H new ATOM 0 HD12 LEU A 24 24.943 -2.050 -6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 24 25.638 -0.651 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 24 27.491 -2.232 -3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 24 26.433 -0.890 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 24 26.321 -2.463 -2.315 1.00 0.00 H new ATOM 260 N SER A 25 21.438 -3.273 -2.569 1.00 0.00 N ATOM 261 CA SER A 25 20.120 -3.055 -1.912 1.00 0.00 C ATOM 262 C SER A 25 20.156 -1.777 -1.076 1.00 0.00 C ATOM 263 O SER A 25 21.043 -1.574 -0.272 1.00 0.00 O ATOM 264 CB SER A 25 19.802 -4.245 -1.007 1.00 0.00 C ATOM 265 OG SER A 25 18.922 -5.125 -1.689 1.00 0.00 O ATOM 0 H SER A 25 22.099 -3.846 -2.044 1.00 0.00 H new ATOM 0 HA SER A 25 19.351 -2.958 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 25 20.720 -4.767 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 25 19.345 -3.900 -0.079 1.00 0.00 H new ATOM 0 HG SER A 25 18.092 -4.653 -1.908 1.00 0.00 H new ATOM 271 N PHE A 26 19.197 -0.911 -1.262 1.00 0.00 N ATOM 272 CA PHE A 26 19.182 0.351 -0.473 1.00 0.00 C ATOM 273 C PHE A 26 18.217 0.180 0.698 1.00 0.00 C ATOM 274 O PHE A 26 17.709 -0.897 0.936 1.00 0.00 O ATOM 275 CB PHE A 26 18.766 1.544 -1.349 1.00 0.00 C ATOM 276 CG PHE A 26 17.451 1.266 -2.088 1.00 0.00 C ATOM 277 CD1 PHE A 26 17.425 0.451 -3.204 1.00 0.00 C ATOM 278 CD2 PHE A 26 16.282 1.876 -1.681 1.00 0.00 C ATOM 279 CE1 PHE A 26 16.247 0.256 -3.899 1.00 0.00 C ATOM 280 CE2 PHE A 26 15.106 1.677 -2.373 1.00 0.00 C ATOM 281 CZ PHE A 26 15.089 0.867 -3.481 1.00 0.00 C ATOM 0 H PHE A 26 18.428 -1.023 -1.923 1.00 0.00 H new ATOM 0 HA PHE A 26 20.185 0.558 -0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 26 18.655 2.432 -0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 26 19.553 1.758 -2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 26 18.330 -0.036 -3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 26 16.288 2.516 -0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.236 -0.378 -4.773 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.198 2.159 -2.043 1.00 0.00 H new ATOM 0 HZ PHE A 26 14.168 0.710 -4.023 1.00 0.00 H new ATOM 291 N LYS A 27 17.954 1.221 1.435 1.00 0.00 N ATOM 292 CA LYS A 27 17.020 1.080 2.586 1.00 0.00 C ATOM 293 C LYS A 27 15.628 1.601 2.229 1.00 0.00 C ATOM 294 O LYS A 27 15.328 1.893 1.088 1.00 0.00 O ATOM 295 CB LYS A 27 17.562 1.860 3.785 1.00 0.00 C ATOM 296 CG LYS A 27 17.781 3.322 3.389 1.00 0.00 C ATOM 297 CD LYS A 27 19.195 3.749 3.784 1.00 0.00 C ATOM 298 CE LYS A 27 19.359 3.630 5.301 1.00 0.00 C ATOM 299 NZ LYS A 27 20.785 3.349 5.626 1.00 0.00 N ATOM 0 H LYS A 27 18.340 2.154 1.293 1.00 0.00 H new ATOM 0 HA LYS A 27 16.941 0.022 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.862 1.799 4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.500 1.420 4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.639 3.445 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.046 3.958 3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.930 3.123 3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.378 4.776 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.040 4.553 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.723 2.832 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.874 3.134 6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 21.114 2.535 5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 21.364 4.182 5.396 1.00 0.00 H new ATOM 313 N LYS A 28 14.775 1.704 3.213 1.00 0.00 N ATOM 314 CA LYS A 28 13.392 2.199 2.976 1.00 0.00 C ATOM 315 C LYS A 28 13.433 3.582 2.336 1.00 0.00 C ATOM 316 O LYS A 28 14.355 3.928 1.625 1.00 0.00 O ATOM 317 CB LYS A 28 12.652 2.271 4.312 1.00 0.00 C ATOM 318 CG LYS A 28 11.276 1.616 4.175 1.00 0.00 C ATOM 319 CD LYS A 28 10.856 1.021 5.523 1.00 0.00 C ATOM 320 CE LYS A 28 9.508 1.613 5.943 1.00 0.00 C ATOM 321 NZ LYS A 28 9.513 1.871 7.410 1.00 0.00 N ATOM 0 H LYS A 28 14.982 1.463 4.182 1.00 0.00 H new ATOM 0 HA LYS A 28 12.873 1.517 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.230 1.767 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.542 3.310 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.542 2.352 3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.307 0.835 3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.781 -0.064 5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.611 1.236 6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.321 2.540 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.702 0.926 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.597 2.273 7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.672 0.978 7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.273 2.542 7.642 1.00 0.00 H new ATOM 335 N GLY A 29 12.427 4.366 2.576 1.00 0.00 N ATOM 336 CA GLY A 29 12.382 5.737 1.990 1.00 0.00 C ATOM 337 C GLY A 29 13.248 6.709 2.803 1.00 0.00 C ATOM 338 O GLY A 29 12.853 7.828 3.063 1.00 0.00 O ATOM 0 H GLY A 29 11.626 4.119 3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.732 5.707 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.352 6.093 1.967 1.00 0.00 H new ATOM 342 N GLU A 30 14.422 6.302 3.206 1.00 0.00 N ATOM 343 CA GLU A 30 15.288 7.220 3.995 1.00 0.00 C ATOM 344 C GLU A 30 15.836 8.300 3.060 1.00 0.00 C ATOM 345 O GLU A 30 15.716 8.206 1.855 1.00 0.00 O ATOM 346 CB GLU A 30 16.449 6.434 4.607 1.00 0.00 C ATOM 347 CG GLU A 30 15.898 5.329 5.512 1.00 0.00 C ATOM 348 CD GLU A 30 15.175 5.959 6.704 1.00 0.00 C ATOM 349 OE1 GLU A 30 15.815 6.693 7.440 1.00 0.00 O ATOM 350 OE2 GLU A 30 13.995 5.695 6.861 1.00 0.00 O ATOM 0 H GLU A 30 14.816 5.379 3.024 1.00 0.00 H new ATOM 0 HA GLU A 30 14.709 7.679 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.064 6.000 3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.092 7.102 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.212 4.693 4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.710 4.691 5.861 1.00 0.00 H new ATOM 357 N ARG A 31 16.436 9.325 3.598 1.00 0.00 N ATOM 358 CA ARG A 31 16.986 10.400 2.724 1.00 0.00 C ATOM 359 C ARG A 31 18.118 9.831 1.865 1.00 0.00 C ATOM 360 O ARG A 31 19.247 9.727 2.301 1.00 0.00 O ATOM 361 CB ARG A 31 17.525 11.538 3.592 1.00 0.00 C ATOM 362 CG ARG A 31 16.494 12.668 3.645 1.00 0.00 C ATOM 363 CD ARG A 31 16.332 13.143 5.089 1.00 0.00 C ATOM 364 NE ARG A 31 15.409 12.225 5.814 1.00 0.00 N ATOM 365 CZ ARG A 31 14.734 12.659 6.842 1.00 0.00 C ATOM 366 NH1 ARG A 31 13.587 13.257 6.666 1.00 0.00 N ATOM 367 NH2 ARG A 31 15.204 12.497 8.048 1.00 0.00 N ATOM 0 H ARG A 31 16.569 9.465 4.599 1.00 0.00 H new ATOM 0 HA ARG A 31 16.196 10.781 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.735 11.175 4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.466 11.908 3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 31 16.813 13.496 3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.537 12.320 3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.302 13.168 5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.939 14.160 5.107 1.00 0.00 H new ATOM 0 HE ARG A 31 15.305 11.258 5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.218 13.385 5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.060 13.596 7.471 1.00 0.00 H new ATOM 0 HH21 ARG A 31 16.100 12.031 8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.675 12.837 8.851 1.00 0.00 H new ATOM 381 N LEU A 32 17.826 9.458 0.647 1.00 0.00 N ATOM 382 CA LEU A 32 18.891 8.896 -0.233 1.00 0.00 C ATOM 383 C LEU A 32 19.318 9.952 -1.256 1.00 0.00 C ATOM 384 O LEU A 32 18.927 11.100 -1.178 1.00 0.00 O ATOM 385 CB LEU A 32 18.358 7.664 -0.971 1.00 0.00 C ATOM 386 CG LEU A 32 17.381 6.900 -0.073 1.00 0.00 C ATOM 387 CD1 LEU A 32 15.972 6.990 -0.662 1.00 0.00 C ATOM 388 CD2 LEU A 32 17.803 5.431 0.006 1.00 0.00 C ATOM 0 H LEU A 32 16.899 9.518 0.225 1.00 0.00 H new ATOM 0 HA LEU A 32 19.746 8.609 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 32 17.858 7.968 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.185 7.015 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 32 17.389 7.337 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.275 6.446 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.669 8.035 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.966 6.552 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.108 4.887 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.794 4.996 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.808 5.363 0.422 1.00 0.00 H new ATOM 400 N GLN A 33 20.118 9.571 -2.215 1.00 0.00 N ATOM 401 CA GLN A 33 20.572 10.550 -3.244 1.00 0.00 C ATOM 402 C GLN A 33 20.311 9.977 -4.640 1.00 0.00 C ATOM 403 O GLN A 33 21.116 9.245 -5.180 1.00 0.00 O ATOM 404 CB GLN A 33 22.069 10.815 -3.073 1.00 0.00 C ATOM 405 CG GLN A 33 22.287 12.275 -2.668 1.00 0.00 C ATOM 406 CD GLN A 33 22.763 13.077 -3.881 1.00 0.00 C ATOM 407 OE1 GLN A 33 21.961 13.588 -4.637 1.00 0.00 O ATOM 408 NE2 GLN A 33 24.042 13.209 -4.100 1.00 0.00 N ATOM 0 H GLN A 33 20.477 8.623 -2.330 1.00 0.00 H new ATOM 0 HA GLN A 33 20.023 11.484 -3.124 1.00 0.00 H new ATOM 0 HB2 GLN A 33 22.482 10.151 -2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.595 10.602 -4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 33 21.360 12.698 -2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 33 23.024 12.335 -1.867 1.00 0.00 H new ATOM 0 HE21 GLN A 33 24.715 12.780 -3.465 1.00 0.00 H new ATOM 0 HE22 GLN A 33 24.369 13.741 -4.906 1.00 0.00 H new ATOM 417 N ILE A 34 19.193 10.306 -5.227 1.00 0.00 N ATOM 418 CA ILE A 34 18.882 9.780 -6.587 1.00 0.00 C ATOM 419 C ILE A 34 19.890 10.336 -7.595 1.00 0.00 C ATOM 420 O ILE A 34 20.338 11.460 -7.487 1.00 0.00 O ATOM 421 CB ILE A 34 17.470 10.210 -6.990 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.445 9.488 -6.113 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.228 9.851 -8.457 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.400 8.007 -6.496 1.00 0.00 C ATOM 0 H ILE A 34 18.482 10.916 -4.824 1.00 0.00 H new ATOM 0 HA ILE A 34 18.943 8.692 -6.576 1.00 0.00 H new ATOM 0 HB ILE A 34 17.367 11.287 -6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.711 9.595 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.460 9.938 -6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.222 10.157 -8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 34 17.957 10.366 -9.083 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.332 8.774 -8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.670 7.492 -5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.114 7.911 -7.543 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.384 7.562 -6.346 1.00 0.00 H new ATOM 436 N VAL A 35 20.250 9.554 -8.577 1.00 0.00 N ATOM 437 CA VAL A 35 21.229 10.033 -9.594 1.00 0.00 C ATOM 438 C VAL A 35 20.504 10.296 -10.913 1.00 0.00 C ATOM 439 O VAL A 35 20.449 11.409 -11.396 1.00 0.00 O ATOM 440 CB VAL A 35 22.306 8.967 -9.803 1.00 0.00 C ATOM 441 CG1 VAL A 35 23.167 9.338 -11.011 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.189 8.883 -8.555 1.00 0.00 C ATOM 0 H VAL A 35 19.908 8.604 -8.719 1.00 0.00 H new ATOM 0 HA VAL A 35 21.695 10.956 -9.248 1.00 0.00 H new ATOM 0 HB VAL A 35 21.831 8.002 -9.979 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.934 8.578 -11.159 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.540 9.398 -11.900 1.00 0.00 H new ATOM 0 HG13 VAL A 35 23.642 10.303 -10.836 1.00 0.00 H new ATOM 0 HG21 VAL A 35 23.957 8.124 -8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.663 9.849 -8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.577 8.617 -7.693 1.00 0.00 H new ATOM 452 N ASN A 36 19.946 9.275 -11.498 1.00 0.00 N ATOM 453 CA ASN A 36 19.221 9.455 -12.788 1.00 0.00 C ATOM 454 C ASN A 36 17.733 9.171 -12.574 1.00 0.00 C ATOM 455 O ASN A 36 17.307 8.836 -11.486 1.00 0.00 O ATOM 456 CB ASN A 36 19.780 8.483 -13.829 1.00 0.00 C ATOM 457 CG ASN A 36 20.575 9.263 -14.878 1.00 0.00 C ATOM 458 OD1 ASN A 36 20.044 9.637 -15.906 1.00 0.00 O ATOM 459 ND2 ASN A 36 21.835 9.525 -14.662 1.00 0.00 N ATOM 0 H ASN A 36 19.960 8.320 -11.139 1.00 0.00 H new ATOM 0 HA ASN A 36 19.352 10.478 -13.141 1.00 0.00 H new ATOM 0 HB2 ASN A 36 20.420 7.745 -13.346 1.00 0.00 H new ATOM 0 HB3 ASN A 36 18.967 7.936 -14.306 1.00 0.00 H new ATOM 0 HD21 ASN A 36 22.374 10.043 -15.355 1.00 0.00 H new ATOM 0 HD22 ASN A 36 22.281 9.211 -13.800 1.00 0.00 H new ATOM 466 N ASN A 37 16.937 9.301 -13.600 1.00 0.00 N ATOM 467 CA ASN A 37 15.478 9.036 -13.444 1.00 0.00 C ATOM 468 C ASN A 37 14.741 9.423 -14.726 1.00 0.00 C ATOM 469 O ASN A 37 14.053 10.423 -14.780 1.00 0.00 O ATOM 470 CB ASN A 37 14.934 9.860 -12.276 1.00 0.00 C ATOM 471 CG ASN A 37 15.530 11.268 -12.324 1.00 0.00 C ATOM 472 OD1 ASN A 37 16.065 11.680 -13.334 1.00 0.00 O ATOM 473 ND2 ASN A 37 15.460 12.031 -11.266 1.00 0.00 N ATOM 0 H ASN A 37 17.232 9.578 -14.536 1.00 0.00 H new ATOM 0 HA ASN A 37 15.324 7.975 -13.247 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.847 9.912 -12.329 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.185 9.380 -11.330 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.854 12.971 -11.288 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.011 11.686 -10.417 1.00 0.00 H new ATOM 480 N THR A 38 14.879 8.640 -15.761 1.00 0.00 N ATOM 481 CA THR A 38 14.181 8.971 -17.034 1.00 0.00 C ATOM 482 C THR A 38 12.801 8.300 -17.047 1.00 0.00 C ATOM 483 O THR A 38 11.864 8.789 -16.448 1.00 0.00 O ATOM 484 CB THR A 38 15.020 8.496 -18.229 1.00 0.00 C ATOM 485 OG1 THR A 38 14.184 8.343 -19.368 1.00 0.00 O ATOM 486 CG2 THR A 38 15.688 7.159 -17.898 1.00 0.00 C ATOM 0 H THR A 38 15.442 7.790 -15.780 1.00 0.00 H new ATOM 0 HA THR A 38 14.052 10.051 -17.110 1.00 0.00 H new ATOM 0 HB THR A 38 15.790 9.237 -18.442 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.721 8.042 -20.130 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.282 6.828 -18.750 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.336 7.281 -17.030 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.923 6.415 -17.678 1.00 0.00 H new ATOM 494 N GLU A 39 12.660 7.190 -17.720 1.00 0.00 N ATOM 495 CA GLU A 39 11.337 6.510 -17.755 1.00 0.00 C ATOM 496 C GLU A 39 11.258 5.520 -16.592 1.00 0.00 C ATOM 497 O GLU A 39 12.255 4.962 -16.177 1.00 0.00 O ATOM 498 CB GLU A 39 11.181 5.759 -19.080 1.00 0.00 C ATOM 499 CG GLU A 39 10.512 6.674 -20.109 1.00 0.00 C ATOM 500 CD GLU A 39 11.035 6.339 -21.507 1.00 0.00 C ATOM 501 OE1 GLU A 39 12.241 6.230 -21.656 1.00 0.00 O ATOM 502 OE2 GLU A 39 10.221 6.197 -22.405 1.00 0.00 O ATOM 0 H GLU A 39 13.402 6.727 -18.245 1.00 0.00 H new ATOM 0 HA GLU A 39 10.540 7.248 -17.667 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.156 5.436 -19.444 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.582 4.860 -18.933 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.430 6.548 -20.074 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.719 7.718 -19.872 1.00 0.00 H new ATOM 509 N GLY A 40 10.086 5.300 -16.055 1.00 0.00 N ATOM 510 CA GLY A 40 9.956 4.343 -14.918 1.00 0.00 C ATOM 511 C GLY A 40 10.802 3.103 -15.210 1.00 0.00 C ATOM 512 O GLY A 40 10.374 2.196 -15.896 1.00 0.00 O ATOM 0 H GLY A 40 9.216 5.741 -16.354 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.285 4.813 -13.991 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.912 4.062 -14.780 1.00 0.00 H new ATOM 516 N ASP A 41 12.001 3.054 -14.696 1.00 0.00 N ATOM 517 CA ASP A 41 12.868 1.874 -14.949 1.00 0.00 C ATOM 518 C ASP A 41 13.668 1.535 -13.685 1.00 0.00 C ATOM 519 O ASP A 41 13.116 1.133 -12.680 1.00 0.00 O ATOM 520 CB ASP A 41 13.824 2.205 -16.097 1.00 0.00 C ATOM 521 CG ASP A 41 13.019 2.602 -17.336 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.155 1.833 -17.728 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.278 3.666 -17.871 1.00 0.00 O ATOM 0 H ASP A 41 12.415 3.781 -14.112 1.00 0.00 H new ATOM 0 HA ASP A 41 12.254 1.013 -15.215 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.489 3.018 -15.807 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.453 1.343 -16.320 1.00 0.00 H new ATOM 528 N TRP A 42 14.965 1.695 -13.724 1.00 0.00 N ATOM 529 CA TRP A 42 15.799 1.385 -12.535 1.00 0.00 C ATOM 530 C TRP A 42 16.891 2.443 -12.428 1.00 0.00 C ATOM 531 O TRP A 42 17.995 2.261 -12.900 1.00 0.00 O ATOM 532 CB TRP A 42 16.435 0.004 -12.700 1.00 0.00 C ATOM 533 CG TRP A 42 15.333 -1.045 -12.838 1.00 0.00 C ATOM 534 CD1 TRP A 42 14.490 -1.143 -13.879 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.055 -1.981 -11.937 1.00 0.00 C ATOM 536 NE1 TRP A 42 13.709 -2.173 -13.553 1.00 0.00 N ATOM 537 CE2 TRP A 42 13.991 -2.755 -12.357 1.00 0.00 C ATOM 538 CE3 TRP A 42 15.666 -2.243 -10.729 1.00 0.00 C ATOM 539 CZ2 TRP A 42 13.537 -3.789 -11.564 1.00 0.00 C ATOM 540 CZ3 TRP A 42 15.213 -3.277 -9.937 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.149 -4.051 -10.355 1.00 0.00 C ATOM 0 H TRP A 42 15.482 2.030 -14.537 1.00 0.00 H new ATOM 0 HA TRP A 42 15.186 1.385 -11.634 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.079 -0.010 -13.579 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.065 -0.224 -11.840 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.454 -0.532 -14.769 1.00 0.00 H new ATOM 0 HE1 TRP A 42 12.955 -2.501 -14.157 1.00 0.00 H new ATOM 0 HE3 TRP A 42 16.499 -1.638 -10.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 12.703 -4.393 -11.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 15.690 -3.481 -8.990 1.00 0.00 H new ATOM 0 HH2 TRP A 42 13.795 -4.862 -9.736 1.00 0.00 H new ATOM 552 N TRP A 43 16.592 3.546 -11.811 1.00 0.00 N ATOM 553 CA TRP A 43 17.612 4.616 -11.676 1.00 0.00 C ATOM 554 C TRP A 43 18.573 4.265 -10.540 1.00 0.00 C ATOM 555 O TRP A 43 18.227 3.556 -9.616 1.00 0.00 O ATOM 556 CB TRP A 43 16.915 5.937 -11.366 1.00 0.00 C ATOM 557 CG TRP A 43 15.563 5.994 -12.086 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.334 5.598 -13.357 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.452 6.509 -11.567 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.052 5.915 -13.555 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.427 6.483 -12.493 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.228 7.020 -10.304 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.181 6.972 -12.156 1.00 0.00 C ATOM 564 CZ3 TRP A 43 12.983 7.508 -9.968 1.00 0.00 C ATOM 565 CH2 TRP A 43 11.959 7.485 -10.894 1.00 0.00 C ATOM 0 H TRP A 43 15.685 3.754 -11.394 1.00 0.00 H new ATOM 0 HA TRP A 43 18.173 4.708 -12.606 1.00 0.00 H new ATOM 0 HB2 TRP A 43 16.769 6.038 -10.291 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.541 6.772 -11.682 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.023 5.135 -14.048 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.577 5.743 -14.441 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.028 7.037 -9.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.380 6.953 -12.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 12.809 7.908 -8.980 1.00 0.00 H new ATOM 0 HH2 TRP A 43 10.984 7.868 -10.631 1.00 0.00 H new ATOM 576 N LEU A 44 19.779 4.756 -10.601 1.00 0.00 N ATOM 577 CA LEU A 44 20.763 4.451 -9.524 1.00 0.00 C ATOM 578 C LEU A 44 20.580 5.431 -8.367 1.00 0.00 C ATOM 579 O LEU A 44 20.211 6.573 -8.558 1.00 0.00 O ATOM 580 CB LEU A 44 22.184 4.580 -10.075 1.00 0.00 C ATOM 581 CG LEU A 44 23.185 4.162 -8.997 1.00 0.00 C ATOM 582 CD1 LEU A 44 24.032 2.994 -9.504 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.098 5.343 -8.667 1.00 0.00 C ATOM 0 H LEU A 44 20.126 5.355 -11.350 1.00 0.00 H new ATOM 0 HA LEU A 44 20.600 3.434 -9.168 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.302 3.953 -10.959 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.374 5.608 -10.385 1.00 0.00 H new ATOM 0 HG LEU A 44 22.644 3.854 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 44 24.744 2.699 -8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 44 23.384 2.150 -9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 44 24.573 3.299 -10.400 1.00 0.00 H new ATOM 0 HD21 LEU A 44 24.812 5.047 -7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 44 24.636 5.649 -9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 44 23.497 6.176 -8.302 1.00 0.00 H new ATOM 595 N ALA A 45 20.837 4.994 -7.165 1.00 0.00 N ATOM 596 CA ALA A 45 20.681 5.897 -5.993 1.00 0.00 C ATOM 597 C ALA A 45 21.972 5.883 -5.172 1.00 0.00 C ATOM 598 O ALA A 45 22.849 5.071 -5.392 1.00 0.00 O ATOM 599 CB ALA A 45 19.516 5.414 -5.126 1.00 0.00 C ATOM 0 H ALA A 45 21.149 4.048 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 45 20.477 6.911 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.402 6.076 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.598 5.421 -5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.717 4.401 -4.778 1.00 0.00 H new ATOM 605 N HIS A 46 22.097 6.773 -4.228 1.00 0.00 N ATOM 606 CA HIS A 46 23.332 6.806 -3.397 1.00 0.00 C ATOM 607 C HIS A 46 22.948 6.993 -1.927 1.00 0.00 C ATOM 608 O HIS A 46 22.456 8.030 -1.530 1.00 0.00 O ATOM 609 CB HIS A 46 24.221 7.969 -3.861 1.00 0.00 C ATOM 610 CG HIS A 46 25.215 8.348 -2.758 1.00 0.00 C ATOM 611 ND1 HIS A 46 25.016 9.079 -1.601 1.00 0.00 N flip ATOM 612 CD2 HIS A 46 26.442 8.032 -2.740 1.00 0.00 C flip ATOM 613 CE1 HIS A 46 26.171 9.169 -0.922 1.00 0.00 C flip ATOM 614 NE2 HIS A 46 27.012 8.495 -1.690 1.00 0.00 N flip ATOM 0 H HIS A 46 21.398 7.479 -3.996 1.00 0.00 H new ATOM 0 HA HIS A 46 23.880 5.870 -3.506 1.00 0.00 H new ATOM 0 HB2 HIS A 46 24.760 7.686 -4.765 1.00 0.00 H new ATOM 0 HB3 HIS A 46 23.603 8.830 -4.115 1.00 0.00 H new ATOM 0 HD2 HIS A 46 26.939 7.452 -3.504 1.00 0.00 H new ATOM 0 HE1 HIS A 46 26.365 9.667 0.016 1.00 0.00 H new ATOM 0 HE2 HIS A 46 27.999 8.360 -1.471 1.00 0.00 H new ATOM 622 N SER A 47 23.169 5.994 -1.117 1.00 0.00 N ATOM 623 CA SER A 47 22.817 6.113 0.325 1.00 0.00 C ATOM 624 C SER A 47 23.734 7.143 0.987 1.00 0.00 C ATOM 625 O SER A 47 24.943 7.067 0.887 1.00 0.00 O ATOM 626 CB SER A 47 22.997 4.756 1.007 1.00 0.00 C ATOM 627 OG SER A 47 22.029 3.843 0.507 1.00 0.00 O ATOM 0 H SER A 47 23.578 5.101 -1.392 1.00 0.00 H new ATOM 0 HA SER A 47 21.780 6.433 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.001 4.375 0.823 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.889 4.862 2.086 1.00 0.00 H new ATOM 0 HG SER A 47 22.145 2.973 0.942 1.00 0.00 H new ATOM 633 N LEU A 48 23.170 8.106 1.663 1.00 0.00 N ATOM 634 CA LEU A 48 24.011 9.140 2.329 1.00 0.00 C ATOM 635 C LEU A 48 24.617 8.564 3.610 1.00 0.00 C ATOM 636 O LEU A 48 25.364 9.225 4.305 1.00 0.00 O ATOM 637 CB LEU A 48 23.146 10.353 2.672 1.00 0.00 C ATOM 638 CG LEU A 48 22.751 11.076 1.382 1.00 0.00 C ATOM 639 CD1 LEU A 48 21.600 12.043 1.669 1.00 0.00 C ATOM 640 CD2 LEU A 48 23.953 11.858 0.849 1.00 0.00 C ATOM 0 H LEU A 48 22.164 8.221 1.783 1.00 0.00 H new ATOM 0 HA LEU A 48 24.814 9.443 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.254 10.036 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.693 11.030 3.329 1.00 0.00 H new ATOM 0 HG LEU A 48 22.433 10.345 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.319 12.557 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.743 11.486 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 48 21.916 12.775 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 48 23.673 12.373 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.271 12.589 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.773 11.170 0.644 1.00 0.00 H new ATOM 652 N THR A 49 24.303 7.339 3.932 1.00 0.00 N ATOM 653 CA THR A 49 24.865 6.727 5.168 1.00 0.00 C ATOM 654 C THR A 49 26.337 6.383 4.936 1.00 0.00 C ATOM 655 O THR A 49 27.225 7.116 5.324 1.00 0.00 O ATOM 656 CB THR A 49 24.087 5.454 5.507 1.00 0.00 C ATOM 657 OG1 THR A 49 22.733 5.787 5.782 1.00 0.00 O ATOM 658 CG2 THR A 49 24.708 4.785 6.734 1.00 0.00 C ATOM 0 H THR A 49 23.682 6.736 3.393 1.00 0.00 H new ATOM 0 HA THR A 49 24.782 7.431 5.996 1.00 0.00 H new ATOM 0 HB THR A 49 24.129 4.767 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 49 22.411 5.251 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 49 24.153 3.878 6.974 1.00 0.00 H new ATOM 0 HG22 THR A 49 25.746 4.529 6.523 1.00 0.00 H new ATOM 0 HG23 THR A 49 24.668 5.470 7.581 1.00 0.00 H new ATOM 666 N THR A 50 26.604 5.271 4.306 1.00 0.00 N ATOM 667 CA THR A 50 28.020 4.881 4.049 1.00 0.00 C ATOM 668 C THR A 50 28.469 5.452 2.702 1.00 0.00 C ATOM 669 O THR A 50 29.610 5.310 2.307 1.00 0.00 O ATOM 670 CB THR A 50 28.133 3.355 4.020 1.00 0.00 C ATOM 671 OG1 THR A 50 27.065 2.789 4.766 1.00 0.00 O ATOM 672 CG2 THR A 50 29.468 2.927 4.630 1.00 0.00 C ATOM 0 H THR A 50 25.903 4.616 3.958 1.00 0.00 H new ATOM 0 HA THR A 50 28.655 5.276 4.842 1.00 0.00 H new ATOM 0 HB THR A 50 28.081 3.006 2.989 1.00 0.00 H new ATOM 0 HG1 THR A 50 27.135 1.812 4.747 1.00 0.00 H new ATOM 0 HG21 THR A 50 29.546 1.840 4.608 1.00 0.00 H new ATOM 0 HG22 THR A 50 30.286 3.361 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 50 29.525 3.274 5.662 1.00 0.00 H new ATOM 680 N GLY A 51 27.582 6.098 1.993 1.00 0.00 N ATOM 681 CA GLY A 51 27.960 6.676 0.673 1.00 0.00 C ATOM 682 C GLY A 51 28.053 5.559 -0.365 1.00 0.00 C ATOM 683 O GLY A 51 28.845 5.618 -1.285 1.00 0.00 O ATOM 0 H GLY A 51 26.613 6.250 2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 51 27.221 7.415 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 51 28.916 7.195 0.751 1.00 0.00 H new ATOM 687 N GLN A 52 27.252 4.538 -0.226 1.00 0.00 N ATOM 688 CA GLN A 52 27.298 3.418 -1.207 1.00 0.00 C ATOM 689 C GLN A 52 26.317 3.690 -2.350 1.00 0.00 C ATOM 690 O GLN A 52 25.548 4.631 -2.315 1.00 0.00 O ATOM 691 CB GLN A 52 26.911 2.110 -0.513 1.00 0.00 C ATOM 692 CG GLN A 52 27.437 2.112 0.923 1.00 0.00 C ATOM 693 CD GLN A 52 27.021 0.812 1.616 1.00 0.00 C ATOM 694 OE1 GLN A 52 27.817 -0.095 1.761 1.00 0.00 O ATOM 695 NE2 GLN A 52 25.797 0.681 2.050 1.00 0.00 N ATOM 0 H GLN A 52 26.569 4.431 0.524 1.00 0.00 H new ATOM 0 HA GLN A 52 28.309 3.336 -1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 52 25.827 1.994 -0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 52 27.322 1.262 -1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 52 28.523 2.207 0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.041 2.970 1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 52 25.129 1.442 1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 52 25.509 -0.182 2.511 1.00 0.00 H new ATOM 704 N THR A 53 26.340 2.869 -3.361 1.00 0.00 N ATOM 705 CA THR A 53 25.416 3.064 -4.513 1.00 0.00 C ATOM 706 C THR A 53 24.515 1.833 -4.636 1.00 0.00 C ATOM 707 O THR A 53 24.901 0.739 -4.278 1.00 0.00 O ATOM 708 CB THR A 53 26.239 3.233 -5.795 1.00 0.00 C ATOM 709 OG1 THR A 53 26.791 4.541 -5.831 1.00 0.00 O ATOM 710 CG2 THR A 53 25.344 3.022 -7.018 1.00 0.00 C ATOM 0 H THR A 53 26.963 2.065 -3.440 1.00 0.00 H new ATOM 0 HA THR A 53 24.804 3.952 -4.359 1.00 0.00 H new ATOM 0 HB THR A 53 27.042 2.496 -5.808 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.319 4.651 -6.649 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.934 3.143 -7.926 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.922 2.017 -6.991 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.537 3.755 -7.009 1.00 0.00 H new ATOM 718 N GLY A 54 23.318 1.992 -5.138 1.00 0.00 N ATOM 719 CA GLY A 54 22.412 0.815 -5.271 1.00 0.00 C ATOM 720 C GLY A 54 21.307 1.108 -6.292 1.00 0.00 C ATOM 721 O GLY A 54 20.532 2.030 -6.138 1.00 0.00 O ATOM 0 H GLY A 54 22.932 2.880 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.983 -0.059 -5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.969 0.577 -4.304 1.00 0.00 H new ATOM 725 N TYR A 55 21.235 0.327 -7.337 1.00 0.00 N ATOM 726 CA TYR A 55 20.186 0.550 -8.373 1.00 0.00 C ATOM 727 C TYR A 55 18.803 0.286 -7.769 1.00 0.00 C ATOM 728 O TYR A 55 18.478 -0.828 -7.409 1.00 0.00 O ATOM 729 CB TYR A 55 20.413 -0.423 -9.532 1.00 0.00 C ATOM 730 CG TYR A 55 20.683 0.354 -10.819 1.00 0.00 C ATOM 731 CD1 TYR A 55 21.740 1.237 -10.896 1.00 0.00 C ATOM 732 CD2 TYR A 55 19.883 0.170 -11.928 1.00 0.00 C ATOM 733 CE1 TYR A 55 21.993 1.923 -12.068 1.00 0.00 C ATOM 734 CE2 TYR A 55 20.136 0.855 -13.097 1.00 0.00 C ATOM 735 CZ TYR A 55 21.193 1.738 -13.176 1.00 0.00 C ATOM 736 OH TYR A 55 21.445 2.424 -14.347 1.00 0.00 O ATOM 0 H TYR A 55 21.860 -0.458 -7.518 1.00 0.00 H new ATOM 0 HA TYR A 55 20.241 1.579 -8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 55 21.255 -1.078 -9.309 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.538 -1.061 -9.659 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.373 1.393 -10.035 1.00 0.00 H new ATOM 0 HD2 TYR A 55 19.051 -0.517 -11.880 1.00 0.00 H new ATOM 0 HE1 TYR A 55 22.825 2.610 -12.117 1.00 0.00 H new ATOM 0 HE2 TYR A 55 19.502 0.699 -13.957 1.00 0.00 H new ATOM 0 HH TYR A 55 20.783 2.170 -15.024 1.00 0.00 H new ATOM 746 N ILE A 56 17.984 1.296 -7.653 1.00 0.00 N ATOM 747 CA ILE A 56 16.628 1.083 -7.073 1.00 0.00 C ATOM 748 C ILE A 56 15.593 1.073 -8.206 1.00 0.00 C ATOM 749 O ILE A 56 15.640 1.912 -9.085 1.00 0.00 O ATOM 750 CB ILE A 56 16.292 2.213 -6.094 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.027 3.502 -6.877 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.466 2.433 -5.136 1.00 0.00 C ATOM 753 CD1 ILE A 56 15.613 4.616 -5.914 1.00 0.00 C ATOM 0 H ILE A 56 18.194 2.254 -7.933 1.00 0.00 H new ATOM 0 HA ILE A 56 16.610 0.132 -6.541 1.00 0.00 H new ATOM 0 HB ILE A 56 15.405 1.942 -5.522 1.00 0.00 H new ATOM 0 HG12 ILE A 56 16.922 3.796 -7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 56 15.242 3.336 -7.615 1.00 0.00 H new ATOM 0 HG21 ILE A 56 17.223 3.237 -4.442 1.00 0.00 H new ATOM 0 HG22 ILE A 56 17.657 1.517 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.355 2.702 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 56 15.425 5.531 -6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.706 4.322 -5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 56 16.412 4.790 -5.193 1.00 0.00 H new ATOM 765 N PRO A 57 14.690 0.127 -8.160 1.00 0.00 N ATOM 766 CA PRO A 57 13.640 0.005 -9.184 1.00 0.00 C ATOM 767 C PRO A 57 12.756 1.255 -9.176 1.00 0.00 C ATOM 768 O PRO A 57 12.861 2.093 -8.304 1.00 0.00 O ATOM 769 CB PRO A 57 12.830 -1.234 -8.775 1.00 0.00 C ATOM 770 CG PRO A 57 13.468 -1.807 -7.484 1.00 0.00 C ATOM 771 CD PRO A 57 14.644 -0.894 -7.097 1.00 0.00 C ATOM 0 HA PRO A 57 14.047 -0.091 -10.190 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.787 -0.969 -8.601 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.842 -1.979 -9.571 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.734 -1.846 -6.680 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.814 -2.827 -7.649 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.488 -0.440 -6.118 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.578 -1.453 -7.044 1.00 0.00 H new ATOM 779 N SER A 58 11.887 1.387 -10.139 1.00 0.00 N ATOM 780 CA SER A 58 11.001 2.585 -10.181 1.00 0.00 C ATOM 781 C SER A 58 9.736 2.312 -9.363 1.00 0.00 C ATOM 782 O SER A 58 8.732 2.978 -9.517 1.00 0.00 O ATOM 783 CB SER A 58 10.615 2.882 -11.631 1.00 0.00 C ATOM 784 OG SER A 58 10.655 1.680 -12.387 1.00 0.00 O ATOM 0 H SER A 58 11.752 0.719 -10.898 1.00 0.00 H new ATOM 0 HA SER A 58 11.528 3.442 -9.762 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.616 3.316 -11.671 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.299 3.616 -12.058 1.00 0.00 H new ATOM 0 HG SER A 58 11.584 1.469 -12.616 1.00 0.00 H new ATOM 790 N ASN A 59 9.776 1.340 -8.493 1.00 0.00 N ATOM 791 CA ASN A 59 8.574 1.028 -7.669 1.00 0.00 C ATOM 792 C ASN A 59 8.921 1.162 -6.184 1.00 0.00 C ATOM 793 O ASN A 59 8.057 1.343 -5.351 1.00 0.00 O ATOM 794 CB ASN A 59 8.113 -0.401 -7.960 1.00 0.00 C ATOM 795 CG ASN A 59 8.003 -0.602 -9.473 1.00 0.00 C ATOM 796 OD1 ASN A 59 8.998 -0.611 -10.170 1.00 0.00 O ATOM 797 ND2 ASN A 59 6.827 -0.765 -10.014 1.00 0.00 N ATOM 0 H ASN A 59 10.588 0.749 -8.317 1.00 0.00 H new ATOM 0 HA ASN A 59 7.774 1.725 -7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.819 -1.116 -7.538 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.149 -0.587 -7.486 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.743 -0.900 -11.022 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.991 -0.758 -9.429 1.00 0.00 H new ATOM 804 N TYR A 60 10.179 1.071 -5.844 1.00 0.00 N ATOM 805 CA TYR A 60 10.571 1.194 -4.412 1.00 0.00 C ATOM 806 C TYR A 60 11.011 2.630 -4.127 1.00 0.00 C ATOM 807 O TYR A 60 11.705 2.892 -3.165 1.00 0.00 O ATOM 808 CB TYR A 60 11.728 0.239 -4.113 1.00 0.00 C ATOM 809 CG TYR A 60 11.173 -1.156 -3.819 1.00 0.00 C ATOM 810 CD1 TYR A 60 9.973 -1.561 -4.366 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.865 -2.029 -3.004 1.00 0.00 C ATOM 812 CE1 TYR A 60 9.472 -2.819 -4.102 1.00 0.00 C ATOM 813 CE2 TYR A 60 11.363 -3.288 -2.740 1.00 0.00 C ATOM 814 CZ TYR A 60 10.163 -3.692 -3.287 1.00 0.00 C ATOM 815 OH TYR A 60 9.661 -4.951 -3.024 1.00 0.00 O ATOM 0 H TYR A 60 10.949 0.917 -6.495 1.00 0.00 H new ATOM 0 HA TYR A 60 9.720 0.941 -3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.410 0.199 -4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.302 0.601 -3.260 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.422 -0.888 -5.006 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.806 -1.725 -2.570 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.531 -3.123 -4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.914 -3.961 -2.100 1.00 0.00 H new ATOM 0 HH TYR A 60 10.277 -5.432 -2.433 1.00 0.00 H new ATOM 825 N VAL A 61 10.613 3.555 -4.963 1.00 0.00 N ATOM 826 CA VAL A 61 10.997 4.983 -4.758 1.00 0.00 C ATOM 827 C VAL A 61 9.826 5.876 -5.177 1.00 0.00 C ATOM 828 O VAL A 61 8.721 5.413 -5.380 1.00 0.00 O ATOM 829 CB VAL A 61 12.244 5.311 -5.596 1.00 0.00 C ATOM 830 CG1 VAL A 61 11.848 5.685 -7.029 1.00 0.00 C ATOM 831 CG2 VAL A 61 13.007 6.472 -4.952 1.00 0.00 C ATOM 0 H VAL A 61 10.034 3.380 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 61 11.229 5.159 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 61 12.883 4.428 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.744 5.914 -7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.322 4.849 -7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.196 6.558 -7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.890 6.702 -5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.362 7.350 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.313 6.192 -3.944 1.00 0.00 H new ATOM 841 N ALA A 62 10.063 7.148 -5.307 1.00 0.00 N ATOM 842 CA ALA A 62 8.967 8.075 -5.712 1.00 0.00 C ATOM 843 C ALA A 62 9.368 9.520 -5.385 1.00 0.00 C ATOM 844 O ALA A 62 9.909 9.783 -4.329 1.00 0.00 O ATOM 845 CB ALA A 62 7.688 7.721 -4.950 1.00 0.00 C ATOM 0 H ALA A 62 10.969 7.590 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 62 8.792 7.978 -6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.888 8.399 -5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.399 6.696 -5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.865 7.816 -3.879 1.00 0.00 H new ATOM 851 N PRO A 63 9.091 10.417 -6.301 1.00 0.00 N ATOM 852 CA PRO A 63 9.418 11.844 -6.124 1.00 0.00 C ATOM 853 C PRO A 63 8.622 12.424 -4.952 1.00 0.00 C ATOM 854 O PRO A 63 7.418 12.271 -4.872 1.00 0.00 O ATOM 855 CB PRO A 63 8.998 12.511 -7.441 1.00 0.00 C ATOM 856 CG PRO A 63 8.388 11.414 -8.352 1.00 0.00 C ATOM 857 CD PRO A 63 8.443 10.084 -7.583 1.00 0.00 C ATOM 0 HA PRO A 63 10.473 12.004 -5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.271 13.301 -7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.857 12.976 -7.925 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.359 11.662 -8.613 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.945 11.339 -9.286 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.445 9.676 -7.427 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.013 9.333 -8.131 1.00 0.00 H new ATOM 865 N SER A 64 9.280 13.089 -4.043 1.00 0.00 N ATOM 866 CA SER A 64 8.557 13.676 -2.881 1.00 0.00 C ATOM 867 C SER A 64 7.342 14.462 -3.380 1.00 0.00 C ATOM 868 O SER A 64 7.538 15.545 -3.906 1.00 0.00 O ATOM 869 CB SER A 64 9.494 14.616 -2.120 1.00 0.00 C ATOM 870 OG SER A 64 10.253 15.380 -3.046 1.00 0.00 O ATOM 871 OXT SER A 64 6.238 13.966 -3.229 1.00 0.00 O ATOM 0 H SER A 64 10.287 13.251 -4.055 1.00 0.00 H new ATOM 0 HA SER A 64 8.226 12.877 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.917 15.277 -1.474 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.159 14.041 -1.476 1.00 0.00 H new ATOM 0 HG SER A 64 11.016 14.851 -3.359 1.00 0.00 H new