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 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 20 THR OG1 : rot -94:sc= 1.19 USER MOD Set 2.2: A 22 THR OG1 : rot 180:sc= 1.1 USER MOD Set 3.1: A 16 TYR OH : rot 100:sc= -1.58! USER MOD Set 3.2: A 18 SER OG : rot -129:sc= 1.48 USER MOD Single : A 9 THR OG1 : rot 31:sc= 0.555 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -54:sc= -1.89! USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= -0.487 (180deg=-2.36!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.7!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 37 ASN : amide:sc= -2.16! C(o=-2.2!,f=-4.9!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -4.81! C(o=-6.4!,f=-4.8!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.00313 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.2!) 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 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -54:sc= 0.854 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 14.478 15.510 -2.902 1.00 0.00 N ATOM 2 CA THR A 9 14.492 14.490 -1.816 1.00 0.00 C ATOM 3 C THR A 9 13.565 13.331 -2.191 1.00 0.00 C ATOM 4 O THR A 9 12.370 13.384 -1.970 1.00 0.00 O ATOM 5 CB THR A 9 14.009 15.130 -0.511 1.00 0.00 C ATOM 6 OG1 THR A 9 14.494 16.463 -0.432 1.00 0.00 O ATOM 7 CG2 THR A 9 14.531 14.324 0.678 1.00 0.00 C ATOM 0 HA THR A 9 15.506 14.114 -1.683 1.00 0.00 H new ATOM 0 HB THR A 9 12.919 15.138 -0.491 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.569 16.838 -1.334 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.187 14.780 1.606 1.00 0.00 H new ATOM 0 HG22 THR A 9 14.158 13.302 0.616 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.621 14.315 0.661 1.00 0.00 H new ATOM 17 N PHE A 10 14.104 12.285 -2.755 1.00 0.00 N ATOM 18 CA PHE A 10 13.252 11.125 -3.143 1.00 0.00 C ATOM 19 C PHE A 10 12.994 10.251 -1.914 1.00 0.00 C ATOM 20 O PHE A 10 13.593 10.434 -0.874 1.00 0.00 O ATOM 21 CB PHE A 10 13.969 10.297 -4.212 1.00 0.00 C ATOM 22 CG PHE A 10 13.526 10.763 -5.601 1.00 0.00 C ATOM 23 CD1 PHE A 10 13.252 12.098 -5.837 1.00 0.00 C ATOM 24 CD2 PHE A 10 13.399 9.856 -6.639 1.00 0.00 C ATOM 25 CE1 PHE A 10 12.857 12.520 -7.089 1.00 0.00 C ATOM 26 CE2 PHE A 10 13.002 10.279 -7.890 1.00 0.00 C ATOM 27 CZ PHE A 10 12.731 11.611 -8.115 1.00 0.00 C ATOM 0 H PHE A 10 15.097 12.183 -2.964 1.00 0.00 H new ATOM 0 HA PHE A 10 12.304 11.488 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 10 15.049 10.405 -4.108 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.741 9.239 -4.082 1.00 0.00 H new ATOM 0 HD1 PHE A 10 13.348 12.815 -5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.612 8.811 -6.468 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.646 13.565 -7.265 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.903 9.565 -8.694 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.420 11.941 -9.095 1.00 0.00 H new ATOM 37 N VAL A 11 12.105 9.302 -2.025 1.00 0.00 N ATOM 38 CA VAL A 11 11.811 8.418 -0.863 1.00 0.00 C ATOM 39 C VAL A 11 11.944 6.956 -1.293 1.00 0.00 C ATOM 40 O VAL A 11 12.007 6.648 -2.466 1.00 0.00 O ATOM 41 CB VAL A 11 10.387 8.680 -0.368 1.00 0.00 C ATOM 42 CG1 VAL A 11 10.281 8.286 1.107 1.00 0.00 C ATOM 43 CG2 VAL A 11 10.060 10.167 -0.521 1.00 0.00 C ATOM 0 H VAL A 11 11.570 9.101 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 11 12.516 8.626 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 11 9.683 8.090 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.267 8.472 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.516 7.227 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.984 8.878 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.046 10.355 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.763 10.757 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.138 10.451 -1.571 1.00 0.00 H new ATOM 53 N ALA A 12 11.988 6.052 -0.354 1.00 0.00 N ATOM 54 CA ALA A 12 12.119 4.612 -0.717 1.00 0.00 C ATOM 55 C ALA A 12 10.769 3.912 -0.536 1.00 0.00 C ATOM 56 O ALA A 12 10.465 3.393 0.519 1.00 0.00 O ATOM 57 CB ALA A 12 13.164 3.951 0.183 1.00 0.00 C ATOM 0 H ALA A 12 11.939 6.247 0.646 1.00 0.00 H new ATOM 0 HA ALA A 12 12.432 4.528 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.259 2.898 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.125 4.447 0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.853 4.036 1.224 1.00 0.00 H new ATOM 63 N LEU A 13 9.961 3.895 -1.560 1.00 0.00 N ATOM 64 CA LEU A 13 8.632 3.231 -1.455 1.00 0.00 C ATOM 65 C LEU A 13 8.769 1.902 -0.714 1.00 0.00 C ATOM 66 O LEU A 13 8.055 1.630 0.230 1.00 0.00 O ATOM 67 CB LEU A 13 8.086 2.946 -2.854 1.00 0.00 C ATOM 68 CG LEU A 13 7.386 4.185 -3.407 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.770 3.838 -4.763 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.285 4.626 -2.442 1.00 0.00 C ATOM 0 H LEU A 13 10.165 4.314 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 13 7.956 3.892 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.899 2.652 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.387 2.110 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 13 8.105 4.996 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.267 4.715 -5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.555 3.520 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.048 3.031 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.787 5.511 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.559 3.821 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.724 4.861 -1.472 1.00 0.00 H new ATOM 82 N TYR A 14 9.683 1.070 -1.133 1.00 0.00 N ATOM 83 CA TYR A 14 9.851 -0.242 -0.445 1.00 0.00 C ATOM 84 C TYR A 14 11.326 -0.518 -0.163 1.00 0.00 C ATOM 85 O TYR A 14 12.196 0.269 -0.480 1.00 0.00 O ATOM 86 CB TYR A 14 9.307 -1.350 -1.343 1.00 0.00 C ATOM 87 CG TYR A 14 7.881 -1.004 -1.772 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.652 -0.249 -2.904 1.00 0.00 C ATOM 89 CD2 TYR A 14 6.801 -1.439 -1.030 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.365 0.067 -3.289 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.514 -1.123 -1.414 1.00 0.00 C ATOM 92 CZ TYR A 14 5.286 -0.368 -2.545 1.00 0.00 C ATOM 93 OH TYR A 14 3.998 -0.053 -2.930 1.00 0.00 O ATOM 0 H TYR A 14 10.316 1.239 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 14 9.308 -0.213 0.500 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.944 -1.468 -2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.318 -2.302 -0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.487 0.098 -3.494 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.965 -2.031 -0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.201 0.658 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.679 -1.470 -0.824 1.00 0.00 H new ATOM 0 HH TYR A 14 3.362 -0.441 -2.293 1.00 0.00 H new ATOM 103 N ASP A 15 11.605 -1.643 0.438 1.00 0.00 N ATOM 104 CA ASP A 15 13.014 -1.998 0.753 1.00 0.00 C ATOM 105 C ASP A 15 13.564 -2.904 -0.350 1.00 0.00 C ATOM 106 O ASP A 15 13.805 -4.075 -0.134 1.00 0.00 O ATOM 107 CB ASP A 15 13.066 -2.734 2.093 1.00 0.00 C ATOM 108 CG ASP A 15 14.494 -3.217 2.357 1.00 0.00 C ATOM 109 OD1 ASP A 15 14.807 -4.326 1.955 1.00 0.00 O ATOM 110 OD2 ASP A 15 15.248 -2.470 2.958 1.00 0.00 O ATOM 0 H ASP A 15 10.912 -2.334 0.725 1.00 0.00 H new ATOM 0 HA ASP A 15 13.616 -1.091 0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.741 -2.072 2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.381 -3.582 2.081 1.00 0.00 H new ATOM 115 N TYR A 16 13.737 -2.364 -1.532 1.00 0.00 N ATOM 116 CA TYR A 16 14.273 -3.158 -2.685 1.00 0.00 C ATOM 117 C TYR A 16 15.203 -4.267 -2.182 1.00 0.00 C ATOM 118 O TYR A 16 16.213 -4.009 -1.558 1.00 0.00 O ATOM 119 CB TYR A 16 15.046 -2.211 -3.612 1.00 0.00 C ATOM 120 CG TYR A 16 15.989 -2.996 -4.531 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.551 -4.123 -5.195 1.00 0.00 C ATOM 122 CD2 TYR A 16 17.291 -2.573 -4.717 1.00 0.00 C ATOM 123 CE1 TYR A 16 16.401 -4.816 -6.034 1.00 0.00 C ATOM 124 CE2 TYR A 16 18.142 -3.265 -5.555 1.00 0.00 C ATOM 125 CZ TYR A 16 17.704 -4.392 -6.221 1.00 0.00 C ATOM 126 OH TYR A 16 18.550 -5.078 -7.068 1.00 0.00 O ATOM 0 H TYR A 16 13.526 -1.390 -1.751 1.00 0.00 H new ATOM 0 HA TYR A 16 13.448 -3.622 -3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 16 14.345 -1.631 -4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.620 -1.500 -3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.536 -4.466 -5.058 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.646 -1.693 -4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 16 16.045 -5.696 -6.548 1.00 0.00 H new ATOM 0 HE2 TYR A 16 19.157 -2.922 -5.691 1.00 0.00 H new ATOM 0 HH TYR A 16 18.598 -4.613 -7.929 1.00 0.00 H new ATOM 136 N GLU A 17 14.863 -5.500 -2.443 1.00 0.00 N ATOM 137 CA GLU A 17 15.720 -6.630 -1.985 1.00 0.00 C ATOM 138 C GLU A 17 15.912 -7.618 -3.138 1.00 0.00 C ATOM 139 O GLU A 17 15.211 -8.604 -3.246 1.00 0.00 O ATOM 140 CB GLU A 17 15.043 -7.341 -0.811 1.00 0.00 C ATOM 141 CG GLU A 17 13.566 -7.570 -1.137 1.00 0.00 C ATOM 142 CD GLU A 17 13.229 -9.054 -0.965 1.00 0.00 C ATOM 143 OE1 GLU A 17 14.143 -9.859 -1.030 1.00 0.00 O ATOM 144 OE2 GLU A 17 12.064 -9.359 -0.771 1.00 0.00 O ATOM 0 H GLU A 17 14.025 -5.774 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 17 16.690 -6.247 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.535 -8.294 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.138 -6.742 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.940 -6.966 -0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.355 -7.254 -2.159 1.00 0.00 H new ATOM 151 N SER A 18 16.859 -7.362 -3.997 1.00 0.00 N ATOM 152 CA SER A 18 17.098 -8.281 -5.141 1.00 0.00 C ATOM 153 C SER A 18 17.734 -9.578 -4.637 1.00 0.00 C ATOM 154 O SER A 18 17.870 -9.796 -3.449 1.00 0.00 O ATOM 155 CB SER A 18 18.043 -7.608 -6.134 1.00 0.00 C ATOM 156 OG SER A 18 19.119 -7.006 -5.429 1.00 0.00 O ATOM 0 H SER A 18 17.479 -6.553 -3.955 1.00 0.00 H new ATOM 0 HA SER A 18 16.150 -8.510 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 18 18.425 -8.342 -6.844 1.00 0.00 H new ATOM 0 HB3 SER A 18 17.506 -6.855 -6.711 1.00 0.00 H new ATOM 0 HG SER A 18 19.217 -6.074 -5.716 1.00 0.00 H new ATOM 162 N ARG A 19 18.126 -10.441 -5.534 1.00 0.00 N ATOM 163 CA ARG A 19 18.754 -11.724 -5.113 1.00 0.00 C ATOM 164 C ARG A 19 20.246 -11.694 -5.452 1.00 0.00 C ATOM 165 O ARG A 19 21.012 -12.522 -5.001 1.00 0.00 O ATOM 166 CB ARG A 19 18.088 -12.884 -5.856 1.00 0.00 C ATOM 167 CG ARG A 19 16.584 -12.626 -5.956 1.00 0.00 C ATOM 168 CD ARG A 19 15.871 -13.915 -6.369 1.00 0.00 C ATOM 169 NE ARG A 19 14.397 -13.716 -6.280 1.00 0.00 N ATOM 170 CZ ARG A 19 13.861 -13.312 -5.161 1.00 0.00 C ATOM 171 NH1 ARG A 19 14.456 -13.557 -4.026 1.00 0.00 N ATOM 172 NH2 ARG A 19 12.729 -12.662 -5.176 1.00 0.00 N ATOM 0 H ARG A 19 18.038 -10.312 -6.542 1.00 0.00 H new ATOM 0 HA ARG A 19 18.626 -11.858 -4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 19 18.518 -12.987 -6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 19 18.273 -13.821 -5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.200 -12.276 -4.998 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.387 -11.839 -6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.151 -14.189 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.178 -14.737 -5.722 1.00 0.00 H new ATOM 0 HE ARG A 19 13.808 -13.895 -7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.341 -14.065 -4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.037 -13.241 -3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.263 -12.470 -6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.310 -12.346 -4.301 1.00 0.00 H new ATOM 186 N THR A 20 20.663 -10.743 -6.243 1.00 0.00 N ATOM 187 CA THR A 20 22.104 -10.658 -6.610 1.00 0.00 C ATOM 188 C THR A 20 22.748 -9.483 -5.872 1.00 0.00 C ATOM 189 O THR A 20 22.083 -8.549 -5.473 1.00 0.00 O ATOM 190 CB THR A 20 22.233 -10.447 -8.120 1.00 0.00 C ATOM 191 OG1 THR A 20 23.608 -10.413 -8.476 1.00 0.00 O ATOM 192 CG2 THR A 20 21.570 -9.125 -8.511 1.00 0.00 C ATOM 0 H THR A 20 20.068 -10.022 -6.650 1.00 0.00 H new ATOM 0 HA THR A 20 22.608 -11.583 -6.329 1.00 0.00 H new ATOM 0 HB THR A 20 21.742 -11.266 -8.645 1.00 0.00 H new ATOM 0 HG1 THR A 20 23.918 -9.483 -8.497 1.00 0.00 H new ATOM 0 HG21 THR A 20 21.663 -8.976 -9.587 1.00 0.00 H new ATOM 0 HG22 THR A 20 20.515 -9.152 -8.238 1.00 0.00 H new ATOM 0 HG23 THR A 20 22.059 -8.304 -7.987 1.00 0.00 H new ATOM 200 N GLU A 21 24.040 -9.522 -5.689 1.00 0.00 N ATOM 201 CA GLU A 21 24.727 -8.410 -4.977 1.00 0.00 C ATOM 202 C GLU A 21 25.169 -7.347 -5.987 1.00 0.00 C ATOM 203 O GLU A 21 26.076 -6.579 -5.737 1.00 0.00 O ATOM 204 CB GLU A 21 25.954 -8.960 -4.246 1.00 0.00 C ATOM 205 CG GLU A 21 25.549 -9.418 -2.844 1.00 0.00 C ATOM 206 CD GLU A 21 26.494 -10.526 -2.376 1.00 0.00 C ATOM 207 OE1 GLU A 21 26.699 -11.462 -3.131 1.00 0.00 O ATOM 208 OE2 GLU A 21 26.997 -10.420 -1.269 1.00 0.00 O ATOM 0 H GLU A 21 24.649 -10.278 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 21 24.042 -7.961 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 21 26.379 -9.794 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 21 26.726 -8.193 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 21 25.585 -8.578 -2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 21 24.521 -9.781 -2.851 1.00 0.00 H new ATOM 215 N THR A 22 24.533 -7.295 -7.126 1.00 0.00 N ATOM 216 CA THR A 22 24.918 -6.281 -8.148 1.00 0.00 C ATOM 217 C THR A 22 24.107 -5.002 -7.929 1.00 0.00 C ATOM 218 O THR A 22 23.994 -4.169 -8.808 1.00 0.00 O ATOM 219 CB THR A 22 24.633 -6.833 -9.547 1.00 0.00 C ATOM 220 OG1 THR A 22 24.376 -8.227 -9.459 1.00 0.00 O ATOM 221 CG2 THR A 22 25.844 -6.593 -10.451 1.00 0.00 C ATOM 0 H THR A 22 23.764 -7.910 -7.392 1.00 0.00 H new ATOM 0 HA THR A 22 25.981 -6.057 -8.055 1.00 0.00 H new ATOM 0 HB THR A 22 23.764 -6.327 -9.967 1.00 0.00 H new ATOM 0 HG1 THR A 22 24.191 -8.583 -10.353 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.639 -6.987 -11.446 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.042 -5.523 -10.518 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.715 -7.098 -10.034 1.00 0.00 H new ATOM 229 N ASP A 23 23.539 -4.839 -6.765 1.00 0.00 N ATOM 230 CA ASP A 23 22.734 -3.612 -6.490 1.00 0.00 C ATOM 231 C ASP A 23 22.572 -3.441 -4.981 1.00 0.00 C ATOM 232 O ASP A 23 22.023 -4.284 -4.299 1.00 0.00 O ATOM 233 CB ASP A 23 21.344 -3.725 -7.135 1.00 0.00 C ATOM 234 CG ASP A 23 21.315 -4.878 -8.144 1.00 0.00 C ATOM 235 OD1 ASP A 23 21.105 -6.003 -7.723 1.00 0.00 O ATOM 236 OD2 ASP A 23 21.503 -4.615 -9.321 1.00 0.00 O ATOM 0 H ASP A 23 23.597 -5.502 -5.992 1.00 0.00 H new ATOM 0 HA ASP A 23 23.252 -2.751 -6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.591 -3.889 -6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 23 21.091 -2.790 -7.634 1.00 0.00 H new ATOM 241 N LEU A 24 23.051 -2.351 -4.461 1.00 0.00 N ATOM 242 CA LEU A 24 22.940 -2.096 -3.002 1.00 0.00 C ATOM 243 C LEU A 24 21.474 -1.882 -2.637 1.00 0.00 C ATOM 244 O LEU A 24 20.996 -0.766 -2.584 1.00 0.00 O ATOM 245 CB LEU A 24 23.734 -0.839 -2.645 1.00 0.00 C ATOM 246 CG LEU A 24 25.185 -1.219 -2.358 1.00 0.00 C ATOM 247 CD1 LEU A 24 26.049 0.036 -2.324 1.00 0.00 C ATOM 248 CD2 LEU A 24 25.258 -1.898 -1.001 1.00 0.00 C ATOM 0 H LEU A 24 23.521 -1.617 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 24 23.336 -2.950 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 24 23.690 -0.123 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 24 23.295 -0.353 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 24 25.544 -1.890 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 24 27.083 -0.240 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 24 25.993 0.543 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 24 25.690 0.704 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 24 26.291 -2.173 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 24 24.898 -1.214 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 24 24.638 -2.794 -1.009 1.00 0.00 H new ATOM 260 N SER A 25 20.751 -2.938 -2.390 1.00 0.00 N ATOM 261 CA SER A 25 19.319 -2.786 -2.031 1.00 0.00 C ATOM 262 C SER A 25 19.186 -1.658 -1.008 1.00 0.00 C ATOM 263 O SER A 25 20.126 -1.330 -0.312 1.00 0.00 O ATOM 264 CB SER A 25 18.809 -4.095 -1.428 1.00 0.00 C ATOM 265 OG SER A 25 18.183 -4.869 -2.440 1.00 0.00 O ATOM 0 H SER A 25 21.092 -3.899 -2.422 1.00 0.00 H new ATOM 0 HA SER A 25 18.732 -2.548 -2.918 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.636 -4.652 -0.988 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.102 -3.887 -0.625 1.00 0.00 H new ATOM 0 HG SER A 25 17.492 -4.332 -2.882 1.00 0.00 H new ATOM 271 N PHE A 26 18.033 -1.059 -0.903 1.00 0.00 N ATOM 272 CA PHE A 26 17.874 0.040 0.083 1.00 0.00 C ATOM 273 C PHE A 26 16.616 -0.197 0.911 1.00 0.00 C ATOM 274 O PHE A 26 15.950 -1.205 0.770 1.00 0.00 O ATOM 275 CB PHE A 26 17.813 1.405 -0.624 1.00 0.00 C ATOM 276 CG PHE A 26 16.607 1.502 -1.568 1.00 0.00 C ATOM 277 CD1 PHE A 26 16.441 0.617 -2.617 1.00 0.00 C ATOM 278 CD2 PHE A 26 15.681 2.513 -1.396 1.00 0.00 C ATOM 279 CE1 PHE A 26 15.365 0.746 -3.476 1.00 0.00 C ATOM 280 CE2 PHE A 26 14.609 2.638 -2.253 1.00 0.00 C ATOM 281 CZ PHE A 26 14.451 1.756 -3.292 1.00 0.00 C ATOM 0 H PHE A 26 17.203 -1.281 -1.452 1.00 0.00 H new ATOM 0 HA PHE A 26 18.739 0.049 0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.757 2.199 0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 26 18.731 1.563 -1.189 1.00 0.00 H new ATOM 0 HD1 PHE A 26 17.155 -0.179 -2.766 1.00 0.00 H new ATOM 0 HD2 PHE A 26 15.799 3.212 -0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.242 0.051 -4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 26 13.892 3.432 -2.106 1.00 0.00 H new ATOM 0 HZ PHE A 26 13.611 1.855 -3.963 1.00 0.00 H new ATOM 291 N LYS A 27 16.280 0.716 1.775 1.00 0.00 N ATOM 292 CA LYS A 27 15.059 0.522 2.610 1.00 0.00 C ATOM 293 C LYS A 27 14.189 1.777 2.588 1.00 0.00 C ATOM 294 O LYS A 27 14.575 2.813 2.083 1.00 0.00 O ATOM 295 CB LYS A 27 15.468 0.221 4.058 1.00 0.00 C ATOM 296 CG LYS A 27 16.875 -0.384 4.091 1.00 0.00 C ATOM 297 CD LYS A 27 17.259 -0.704 5.538 1.00 0.00 C ATOM 298 CE LYS A 27 18.773 -0.566 5.706 1.00 0.00 C ATOM 299 NZ LYS A 27 19.213 0.757 5.178 1.00 0.00 N ATOM 0 H LYS A 27 16.791 1.583 1.941 1.00 0.00 H new ATOM 0 HA LYS A 27 14.490 -0.313 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.443 1.136 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.756 -0.470 4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.907 -1.290 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.593 0.313 3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.744 -0.028 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.945 -1.716 5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.043 -0.658 6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.283 -1.370 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.009 1.111 5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.514 0.653 4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.423 1.432 5.230 1.00 0.00 H new ATOM 313 N LYS A 28 13.007 1.683 3.138 1.00 0.00 N ATOM 314 CA LYS A 28 12.093 2.856 3.163 1.00 0.00 C ATOM 315 C LYS A 28 12.426 3.718 4.383 1.00 0.00 C ATOM 316 O LYS A 28 12.878 3.226 5.397 1.00 0.00 O ATOM 317 CB LYS A 28 10.644 2.363 3.252 1.00 0.00 C ATOM 318 CG LYS A 28 9.732 3.506 3.707 1.00 0.00 C ATOM 319 CD LYS A 28 8.331 3.305 3.126 1.00 0.00 C ATOM 320 CE LYS A 28 7.598 2.222 3.922 1.00 0.00 C ATOM 321 NZ LYS A 28 6.130 2.475 3.868 1.00 0.00 N ATOM 0 H LYS A 28 12.636 0.838 3.573 1.00 0.00 H new ATOM 0 HA LYS A 28 12.215 3.448 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.317 1.990 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.576 1.531 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.685 3.536 4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.139 4.462 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.772 4.240 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.399 3.017 2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.824 1.238 3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.940 2.222 4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.631 1.740 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.923 3.408 4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.810 2.454 2.879 1.00 0.00 H new ATOM 335 N GLY A 29 12.208 5.001 4.295 1.00 0.00 N ATOM 336 CA GLY A 29 12.515 5.887 5.452 1.00 0.00 C ATOM 337 C GLY A 29 13.927 6.452 5.291 1.00 0.00 C ATOM 338 O GLY A 29 14.227 7.541 5.739 1.00 0.00 O ATOM 0 H GLY A 29 11.831 5.473 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.790 6.699 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.438 5.328 6.384 1.00 0.00 H new ATOM 342 N GLU A 30 14.799 5.717 4.655 1.00 0.00 N ATOM 343 CA GLU A 30 16.191 6.210 4.463 1.00 0.00 C ATOM 344 C GLU A 30 16.224 7.196 3.294 1.00 0.00 C ATOM 345 O GLU A 30 15.465 7.080 2.352 1.00 0.00 O ATOM 346 CB GLU A 30 17.113 5.027 4.160 1.00 0.00 C ATOM 347 CG GLU A 30 17.588 4.399 5.472 1.00 0.00 C ATOM 348 CD GLU A 30 18.281 5.462 6.326 1.00 0.00 C ATOM 349 OE1 GLU A 30 19.049 6.231 5.770 1.00 0.00 O ATOM 350 OE2 GLU A 30 18.033 5.491 7.520 1.00 0.00 O ATOM 0 H GLU A 30 14.606 4.796 4.260 1.00 0.00 H new ATOM 0 HA GLU A 30 16.529 6.710 5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.585 4.286 3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.969 5.361 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 30 16.741 3.978 6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.275 3.578 5.267 1.00 0.00 H new ATOM 357 N ARG A 31 17.097 8.164 3.346 1.00 0.00 N ATOM 358 CA ARG A 31 17.174 9.156 2.237 1.00 0.00 C ATOM 359 C ARG A 31 18.164 8.667 1.177 1.00 0.00 C ATOM 360 O ARG A 31 19.280 8.290 1.480 1.00 0.00 O ATOM 361 CB ARG A 31 17.644 10.503 2.791 1.00 0.00 C ATOM 362 CG ARG A 31 16.434 11.304 3.275 1.00 0.00 C ATOM 363 CD ARG A 31 16.614 12.777 2.901 1.00 0.00 C ATOM 364 NE ARG A 31 17.060 13.542 4.100 1.00 0.00 N ATOM 365 CZ ARG A 31 17.978 14.461 3.981 1.00 0.00 C ATOM 366 NH1 ARG A 31 17.792 15.469 3.173 1.00 0.00 N ATOM 367 NH2 ARG A 31 19.082 14.373 4.670 1.00 0.00 N ATOM 0 H ARG A 31 17.760 8.311 4.107 1.00 0.00 H new ATOM 0 HA ARG A 31 16.189 9.271 1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 31 18.343 10.347 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.178 11.059 2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.522 10.912 2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 31 16.326 11.203 4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.348 12.873 2.101 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.676 13.185 2.524 1.00 0.00 H new ATOM 0 HE ARG A 31 16.648 13.347 5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 31 16.929 15.538 2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.510 16.187 3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.227 13.586 5.302 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.800 15.092 4.577 1.00 0.00 H new ATOM 381 N LEU A 32 17.764 8.668 -0.065 1.00 0.00 N ATOM 382 CA LEU A 32 18.678 8.204 -1.147 1.00 0.00 C ATOM 383 C LEU A 32 18.840 9.318 -2.184 1.00 0.00 C ATOM 384 O LEU A 32 17.886 9.967 -2.562 1.00 0.00 O ATOM 385 CB LEU A 32 18.086 6.961 -1.815 1.00 0.00 C ATOM 386 CG LEU A 32 17.413 6.086 -0.756 1.00 0.00 C ATOM 387 CD1 LEU A 32 15.894 6.248 -0.851 1.00 0.00 C ATOM 388 CD2 LEU A 32 17.785 4.621 -0.992 1.00 0.00 C ATOM 0 H LEU A 32 16.842 8.971 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 32 19.652 7.957 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 32 17.361 7.253 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.870 6.399 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 32 17.750 6.391 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.414 5.625 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.628 7.292 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.557 5.943 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.305 3.998 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.448 4.315 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.867 4.505 -0.924 1.00 0.00 H new ATOM 400 N GLN A 33 20.040 9.543 -2.648 1.00 0.00 N ATOM 401 CA GLN A 33 20.254 10.616 -3.659 1.00 0.00 C ATOM 402 C GLN A 33 20.220 10.012 -5.065 1.00 0.00 C ATOM 403 O GLN A 33 21.107 9.281 -5.459 1.00 0.00 O ATOM 404 CB GLN A 33 21.614 11.276 -3.422 1.00 0.00 C ATOM 405 CG GLN A 33 21.673 12.606 -4.177 1.00 0.00 C ATOM 406 CD GLN A 33 22.695 12.503 -5.311 1.00 0.00 C ATOM 407 OE1 GLN A 33 22.998 11.423 -5.777 1.00 0.00 O ATOM 408 NE2 GLN A 33 23.242 13.591 -5.780 1.00 0.00 N ATOM 0 H GLN A 33 20.878 9.032 -2.371 1.00 0.00 H new ATOM 0 HA GLN A 33 19.465 11.362 -3.566 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.768 11.443 -2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.414 10.617 -3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 33 20.690 12.852 -4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.949 13.411 -3.496 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.988 14.499 -5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.923 13.534 -6.537 1.00 0.00 H new ATOM 417 N ILE A 34 19.202 10.313 -5.825 1.00 0.00 N ATOM 418 CA ILE A 34 19.109 9.758 -7.205 1.00 0.00 C ATOM 419 C ILE A 34 20.355 10.159 -7.999 1.00 0.00 C ATOM 420 O ILE A 34 20.909 11.223 -7.806 1.00 0.00 O ATOM 421 CB ILE A 34 17.862 10.315 -7.895 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.617 9.912 -7.102 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.767 9.750 -9.313 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.661 8.409 -6.818 1.00 0.00 C ATOM 0 H ILE A 34 18.430 10.920 -5.549 1.00 0.00 H new ATOM 0 HA ILE A 34 19.042 8.671 -7.158 1.00 0.00 H new ATOM 0 HB ILE A 34 17.928 11.402 -7.941 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.572 10.469 -6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.717 10.161 -7.665 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.879 10.147 -9.804 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.653 10.037 -9.879 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.701 8.663 -9.268 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.775 8.119 -6.253 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.686 7.861 -7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.554 8.174 -6.238 1.00 0.00 H new ATOM 436 N VAL A 35 20.800 9.316 -8.890 1.00 0.00 N ATOM 437 CA VAL A 35 22.009 9.653 -9.693 1.00 0.00 C ATOM 438 C VAL A 35 21.600 9.966 -11.133 1.00 0.00 C ATOM 439 O VAL A 35 21.503 11.111 -11.527 1.00 0.00 O ATOM 440 CB VAL A 35 22.974 8.465 -9.684 1.00 0.00 C ATOM 441 CG1 VAL A 35 24.100 8.715 -10.690 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.570 8.304 -8.284 1.00 0.00 C ATOM 0 H VAL A 35 20.379 8.410 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 35 22.499 10.525 -9.259 1.00 0.00 H new ATOM 0 HB VAL A 35 22.436 7.558 -9.958 1.00 0.00 H new ATOM 0 HG11 VAL A 35 24.788 7.869 -10.684 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.677 8.832 -11.688 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.638 9.622 -10.416 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.257 7.458 -8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.108 9.212 -8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.769 8.127 -7.566 1.00 0.00 H new ATOM 452 N ASN A 36 21.357 8.956 -11.918 1.00 0.00 N ATOM 453 CA ASN A 36 20.952 9.193 -13.335 1.00 0.00 C ATOM 454 C ASN A 36 19.645 8.450 -13.626 1.00 0.00 C ATOM 455 O ASN A 36 18.940 8.046 -12.725 1.00 0.00 O ATOM 456 CB ASN A 36 22.052 8.682 -14.269 1.00 0.00 C ATOM 457 CG ASN A 36 22.820 9.871 -14.850 1.00 0.00 C ATOM 458 OD1 ASN A 36 22.290 10.623 -15.642 1.00 0.00 O ATOM 459 ND2 ASN A 36 24.057 10.071 -14.485 1.00 0.00 N ATOM 0 H ASN A 36 21.420 7.976 -11.642 1.00 0.00 H new ATOM 0 HA ASN A 36 20.803 10.260 -13.498 1.00 0.00 H new ATOM 0 HB2 ASN A 36 22.732 8.027 -13.724 1.00 0.00 H new ATOM 0 HB3 ASN A 36 21.615 8.089 -15.073 1.00 0.00 H new ATOM 0 HD21 ASN A 36 24.580 10.860 -14.865 1.00 0.00 H new ATOM 0 HD22 ASN A 36 24.501 9.438 -13.819 1.00 0.00 H new ATOM 466 N ASN A 37 19.314 8.273 -14.877 1.00 0.00 N ATOM 467 CA ASN A 37 18.051 7.556 -15.218 1.00 0.00 C ATOM 468 C ASN A 37 16.860 8.317 -14.634 1.00 0.00 C ATOM 469 O ASN A 37 16.470 8.111 -13.503 1.00 0.00 O ATOM 470 CB ASN A 37 18.093 6.144 -14.631 1.00 0.00 C ATOM 471 CG ASN A 37 19.504 5.571 -14.779 1.00 0.00 C ATOM 472 OD1 ASN A 37 20.177 5.324 -13.799 1.00 0.00 O ATOM 473 ND2 ASN A 37 19.981 5.346 -15.972 1.00 0.00 N ATOM 0 H ASN A 37 19.862 8.593 -15.676 1.00 0.00 H new ATOM 0 HA ASN A 37 17.947 7.496 -16.301 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.807 6.167 -13.579 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.374 5.504 -15.143 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.920 4.962 -16.082 1.00 0.00 H new ATOM 0 HD22 ASN A 37 19.415 5.554 -16.795 1.00 0.00 H new ATOM 480 N THR A 38 16.278 9.198 -15.402 1.00 0.00 N ATOM 481 CA THR A 38 15.110 9.975 -14.896 1.00 0.00 C ATOM 482 C THR A 38 13.815 9.227 -15.216 1.00 0.00 C ATOM 483 O THR A 38 12.859 9.272 -14.468 1.00 0.00 O ATOM 484 CB THR A 38 15.086 11.349 -15.569 1.00 0.00 C ATOM 485 OG1 THR A 38 13.974 12.091 -15.089 1.00 0.00 O ATOM 486 CG2 THR A 38 14.970 11.175 -17.084 1.00 0.00 C ATOM 0 H THR A 38 16.561 9.413 -16.358 1.00 0.00 H new ATOM 0 HA THR A 38 15.197 10.098 -13.816 1.00 0.00 H new ATOM 0 HB THR A 38 16.007 11.884 -15.336 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.959 12.972 -15.518 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.953 12.154 -17.562 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.824 10.606 -17.451 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.050 10.640 -17.319 1.00 0.00 H new ATOM 494 N GLU A 39 13.776 8.540 -16.324 1.00 0.00 N ATOM 495 CA GLU A 39 12.547 7.788 -16.697 1.00 0.00 C ATOM 496 C GLU A 39 12.187 6.810 -15.579 1.00 0.00 C ATOM 497 O GLU A 39 12.694 6.896 -14.481 1.00 0.00 O ATOM 498 CB GLU A 39 12.801 7.016 -17.991 1.00 0.00 C ATOM 499 CG GLU A 39 13.632 7.873 -18.947 1.00 0.00 C ATOM 500 CD GLU A 39 13.403 7.401 -20.385 1.00 0.00 C ATOM 501 OE1 GLU A 39 13.259 6.205 -20.578 1.00 0.00 O ATOM 502 OE2 GLU A 39 13.378 8.242 -21.267 1.00 0.00 O ATOM 0 H GLU A 39 14.546 8.467 -16.989 1.00 0.00 H new ATOM 0 HA GLU A 39 11.722 8.485 -16.844 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.324 6.085 -17.774 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.853 6.748 -18.458 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.353 8.922 -18.848 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.689 7.799 -18.693 1.00 0.00 H new ATOM 509 N GLY A 40 11.306 5.889 -15.851 1.00 0.00 N ATOM 510 CA GLY A 40 10.908 4.900 -14.807 1.00 0.00 C ATOM 511 C GLY A 40 11.523 3.537 -15.138 1.00 0.00 C ATOM 512 O GLY A 40 11.042 2.822 -15.994 1.00 0.00 O ATOM 0 H GLY A 40 10.842 5.777 -16.753 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.245 5.235 -13.826 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.822 4.820 -14.761 1.00 0.00 H new ATOM 516 N ASP A 41 12.578 3.170 -14.462 1.00 0.00 N ATOM 517 CA ASP A 41 13.225 1.856 -14.735 1.00 0.00 C ATOM 518 C ASP A 41 14.077 1.451 -13.524 1.00 0.00 C ATOM 519 O ASP A 41 13.561 1.093 -12.485 1.00 0.00 O ATOM 520 CB ASP A 41 14.116 1.985 -15.973 1.00 0.00 C ATOM 521 CG ASP A 41 13.263 2.359 -17.188 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.703 1.460 -17.793 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.186 3.538 -17.492 1.00 0.00 O ATOM 0 H ASP A 41 13.021 3.726 -13.730 1.00 0.00 H new ATOM 0 HA ASP A 41 12.464 1.096 -14.912 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.880 2.745 -15.805 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.636 1.045 -16.158 1.00 0.00 H new ATOM 528 N TRP A 42 15.378 1.501 -13.650 1.00 0.00 N ATOM 529 CA TRP A 42 16.262 1.123 -12.516 1.00 0.00 C ATOM 530 C TRP A 42 17.371 2.166 -12.432 1.00 0.00 C ATOM 531 O TRP A 42 18.463 1.976 -12.930 1.00 0.00 O ATOM 532 CB TRP A 42 16.861 -0.262 -12.764 1.00 0.00 C ATOM 533 CG TRP A 42 15.732 -1.293 -12.784 1.00 0.00 C ATOM 534 CD1 TRP A 42 14.810 -1.403 -13.754 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.500 -2.189 -11.829 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.026 -2.396 -13.329 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.384 -2.943 -12.138 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.193 -2.430 -10.659 1.00 0.00 C ATOM 539 CZ2 TRP A 42 13.961 -3.934 -11.276 1.00 0.00 C ATOM 540 CZ3 TRP A 42 15.769 -3.421 -9.798 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.654 -4.173 -10.106 1.00 0.00 C ATOM 0 H TRP A 42 15.866 1.790 -14.498 1.00 0.00 H new ATOM 0 HA TRP A 42 15.699 1.088 -11.583 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.401 -0.275 -13.711 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.581 -0.507 -11.983 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.723 -0.825 -14.662 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.217 -2.720 -13.859 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.067 -1.843 -10.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.088 -4.523 -11.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.310 -3.608 -8.882 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.323 -4.949 -9.432 1.00 0.00 H new ATOM 552 N TRP A 43 17.092 3.269 -11.802 1.00 0.00 N ATOM 553 CA TRP A 43 18.113 4.341 -11.676 1.00 0.00 C ATOM 554 C TRP A 43 19.111 4.010 -10.570 1.00 0.00 C ATOM 555 O TRP A 43 18.802 3.325 -9.613 1.00 0.00 O ATOM 556 CB TRP A 43 17.413 5.658 -11.343 1.00 0.00 C ATOM 557 CG TRP A 43 16.029 5.688 -11.996 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.736 5.201 -13.219 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.941 6.225 -11.449 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.442 5.484 -13.364 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.866 6.119 -12.310 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.780 6.821 -10.213 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.631 6.610 -11.934 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.545 7.312 -9.840 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.471 7.206 -10.700 1.00 0.00 C ATOM 0 H TRP A 43 16.194 3.476 -11.366 1.00 0.00 H new ATOM 0 HA TRP A 43 18.653 4.425 -12.619 1.00 0.00 H new ATOM 0 HB2 TRP A 43 17.318 5.767 -10.263 1.00 0.00 H new ATOM 0 HB3 TRP A 43 18.011 6.498 -11.697 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.393 4.701 -13.915 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.921 5.241 -14.207 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.620 6.903 -9.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.790 6.527 -12.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.419 7.779 -8.875 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.505 7.590 -10.407 1.00 0.00 H new ATOM 576 N LEU A 44 20.312 4.501 -10.701 1.00 0.00 N ATOM 577 CA LEU A 44 21.352 4.234 -9.673 1.00 0.00 C ATOM 578 C LEU A 44 21.229 5.288 -8.573 1.00 0.00 C ATOM 579 O LEU A 44 20.950 6.439 -8.838 1.00 0.00 O ATOM 580 CB LEU A 44 22.736 4.325 -10.318 1.00 0.00 C ATOM 581 CG LEU A 44 23.807 3.950 -9.294 1.00 0.00 C ATOM 582 CD1 LEU A 44 24.965 3.250 -10.008 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.322 5.217 -8.608 1.00 0.00 C ATOM 0 H LEU A 44 20.618 5.080 -11.483 1.00 0.00 H new ATOM 0 HA LEU A 44 21.218 3.238 -9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.792 3.658 -11.178 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.910 5.336 -10.687 1.00 0.00 H new ATOM 0 HG LEU A 44 23.380 3.281 -8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 44 25.731 2.981 -9.281 1.00 0.00 H new ATOM 0 HD12 LEU A 44 24.598 2.349 -10.499 1.00 0.00 H new ATOM 0 HD13 LEU A 44 25.392 3.921 -10.753 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.086 4.950 -7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 44 24.751 5.886 -9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 44 23.496 5.719 -8.103 1.00 0.00 H new ATOM 595 N ALA A 45 21.432 4.912 -7.342 1.00 0.00 N ATOM 596 CA ALA A 45 21.319 5.914 -6.247 1.00 0.00 C ATOM 597 C ALA A 45 22.533 5.821 -5.322 1.00 0.00 C ATOM 598 O ALA A 45 23.182 4.798 -5.228 1.00 0.00 O ATOM 599 CB ALA A 45 20.046 5.649 -5.442 1.00 0.00 C ATOM 0 H ALA A 45 21.669 3.964 -7.048 1.00 0.00 H new ATOM 0 HA ALA A 45 21.278 6.912 -6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.963 6.383 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 45 19.178 5.728 -6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 45 20.088 4.647 -5.014 1.00 0.00 H new ATOM 605 N HIS A 46 22.841 6.889 -4.640 1.00 0.00 N ATOM 606 CA HIS A 46 24.008 6.883 -3.716 1.00 0.00 C ATOM 607 C HIS A 46 23.562 7.427 -2.354 1.00 0.00 C ATOM 608 O HIS A 46 23.055 8.527 -2.251 1.00 0.00 O ATOM 609 CB HIS A 46 25.123 7.759 -4.315 1.00 0.00 C ATOM 610 CG HIS A 46 25.953 8.420 -3.208 1.00 0.00 C ATOM 611 ND1 HIS A 46 25.690 9.556 -2.462 1.00 0.00 N flip ATOM 612 CD2 HIS A 46 27.073 8.004 -2.785 1.00 0.00 C flip ATOM 613 CE1 HIS A 46 26.697 9.772 -1.601 1.00 0.00 C flip ATOM 614 NE2 HIS A 46 27.518 8.768 -1.860 1.00 0.00 N flip ATOM 0 H HIS A 46 22.331 7.771 -4.684 1.00 0.00 H new ATOM 0 HA HIS A 46 24.390 5.871 -3.584 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.770 7.150 -4.946 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.685 8.526 -4.954 1.00 0.00 H new ATOM 0 HD1 HIS A 46 24.858 10.140 -2.553 1.00 0.00 H new ATOM 0 HD2 HIS A 46 27.582 7.126 -3.154 1.00 0.00 H new ATOM 0 HE1 HIS A 46 26.809 10.566 -0.878 1.00 0.00 H new ATOM 622 N SER A 47 23.744 6.665 -1.311 1.00 0.00 N ATOM 623 CA SER A 47 23.331 7.139 0.039 1.00 0.00 C ATOM 624 C SER A 47 24.207 8.323 0.452 1.00 0.00 C ATOM 625 O SER A 47 25.369 8.399 0.105 1.00 0.00 O ATOM 626 CB SER A 47 23.498 6.004 1.052 1.00 0.00 C ATOM 627 OG SER A 47 23.006 4.795 0.492 1.00 0.00 O ATOM 0 H SER A 47 24.161 5.734 -1.336 1.00 0.00 H new ATOM 0 HA SER A 47 22.287 7.450 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.549 5.892 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.958 6.239 1.970 1.00 0.00 H new ATOM 0 HG SER A 47 23.114 4.067 1.139 1.00 0.00 H new ATOM 633 N LEU A 48 23.661 9.247 1.192 1.00 0.00 N ATOM 634 CA LEU A 48 24.464 10.424 1.627 1.00 0.00 C ATOM 635 C LEU A 48 25.187 10.091 2.934 1.00 0.00 C ATOM 636 O LEU A 48 25.646 10.966 3.642 1.00 0.00 O ATOM 637 CB LEU A 48 23.536 11.620 1.845 1.00 0.00 C ATOM 638 CG LEU A 48 22.761 11.906 0.558 1.00 0.00 C ATOM 639 CD1 LEU A 48 22.045 13.252 0.681 1.00 0.00 C ATOM 640 CD2 LEU A 48 23.735 11.951 -0.622 1.00 0.00 C ATOM 0 H LEU A 48 22.693 9.238 1.515 1.00 0.00 H new ATOM 0 HA LEU A 48 25.198 10.670 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.843 11.412 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 48 24.116 12.496 2.135 1.00 0.00 H new ATOM 0 HG LEU A 48 22.025 11.119 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.493 13.456 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.352 13.220 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 48 22.779 14.041 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 48 23.185 12.155 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.470 12.739 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.245 10.992 -0.710 1.00 0.00 H new ATOM 652 N THR A 49 25.292 8.832 3.260 1.00 0.00 N ATOM 653 CA THR A 49 25.984 8.442 4.521 1.00 0.00 C ATOM 654 C THR A 49 27.457 8.147 4.224 1.00 0.00 C ATOM 655 O THR A 49 28.290 9.031 4.230 1.00 0.00 O ATOM 656 CB THR A 49 25.319 7.193 5.105 1.00 0.00 C ATOM 657 OG1 THR A 49 24.010 7.519 5.549 1.00 0.00 O ATOM 658 CG2 THR A 49 26.146 6.675 6.283 1.00 0.00 C ATOM 0 H THR A 49 24.928 8.056 2.707 1.00 0.00 H new ATOM 0 HA THR A 49 25.915 9.258 5.240 1.00 0.00 H new ATOM 0 HB THR A 49 25.261 6.420 4.338 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.582 6.720 5.922 1.00 0.00 H new ATOM 0 HG21 THR A 49 25.671 5.786 6.698 1.00 0.00 H new ATOM 0 HG22 THR A 49 27.150 6.424 5.940 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.207 7.446 7.052 1.00 0.00 H new ATOM 666 N THR A 50 27.786 6.910 3.963 1.00 0.00 N ATOM 667 CA THR A 50 29.206 6.565 3.667 1.00 0.00 C ATOM 668 C THR A 50 29.457 6.676 2.161 1.00 0.00 C ATOM 669 O THR A 50 30.422 7.271 1.727 1.00 0.00 O ATOM 670 CB THR A 50 29.494 5.136 4.132 1.00 0.00 C ATOM 671 OG1 THR A 50 30.863 4.833 3.904 1.00 0.00 O ATOM 672 CG2 THR A 50 28.617 4.152 3.355 1.00 0.00 C ATOM 0 H THR A 50 27.134 6.126 3.942 1.00 0.00 H new ATOM 0 HA THR A 50 29.864 7.256 4.195 1.00 0.00 H new ATOM 0 HB THR A 50 29.273 5.051 5.196 1.00 0.00 H new ATOM 0 HG1 THR A 50 31.050 3.919 4.203 1.00 0.00 H new ATOM 0 HG21 THR A 50 28.826 3.136 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 50 27.567 4.383 3.531 1.00 0.00 H new ATOM 0 HG23 THR A 50 28.833 4.235 2.290 1.00 0.00 H new ATOM 680 N GLY A 51 28.598 6.107 1.360 1.00 0.00 N ATOM 681 CA GLY A 51 28.796 6.184 -0.116 1.00 0.00 C ATOM 682 C GLY A 51 28.438 4.841 -0.757 1.00 0.00 C ATOM 683 O GLY A 51 29.108 4.375 -1.657 1.00 0.00 O ATOM 0 H GLY A 51 27.770 5.594 1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 51 28.174 6.975 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 51 29.831 6.440 -0.341 1.00 0.00 H new ATOM 687 N GLN A 52 27.387 4.215 -0.303 1.00 0.00 N ATOM 688 CA GLN A 52 26.988 2.904 -0.889 1.00 0.00 C ATOM 689 C GLN A 52 26.167 3.148 -2.157 1.00 0.00 C ATOM 690 O GLN A 52 25.242 3.936 -2.162 1.00 0.00 O ATOM 691 CB GLN A 52 26.139 2.132 0.123 1.00 0.00 C ATOM 692 CG GLN A 52 27.016 1.693 1.298 1.00 0.00 C ATOM 693 CD GLN A 52 26.182 0.855 2.270 1.00 0.00 C ATOM 694 OE1 GLN A 52 24.969 0.910 2.251 1.00 0.00 O ATOM 695 NE2 GLN A 52 26.786 0.076 3.124 1.00 0.00 N ATOM 0 H GLN A 52 26.787 4.555 0.449 1.00 0.00 H new ATOM 0 HA GLN A 52 27.879 2.326 -1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 52 25.321 2.758 0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 52 25.689 1.261 -0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.864 1.113 0.936 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.422 2.566 1.809 1.00 0.00 H new ATOM 0 HE21 GLN A 52 27.805 0.030 3.140 1.00 0.00 H new ATOM 0 HE22 GLN A 52 26.240 -0.487 3.776 1.00 0.00 H new ATOM 704 N THR A 53 26.492 2.484 -3.235 1.00 0.00 N ATOM 705 CA THR A 53 25.717 2.696 -4.488 1.00 0.00 C ATOM 706 C THR A 53 24.830 1.485 -4.789 1.00 0.00 C ATOM 707 O THR A 53 25.264 0.352 -4.754 1.00 0.00 O ATOM 708 CB THR A 53 26.684 2.926 -5.655 1.00 0.00 C ATOM 709 OG1 THR A 53 27.185 4.254 -5.597 1.00 0.00 O ATOM 710 CG2 THR A 53 25.959 2.711 -6.988 1.00 0.00 C ATOM 0 H THR A 53 27.255 1.810 -3.300 1.00 0.00 H new ATOM 0 HA THR A 53 25.079 3.570 -4.358 1.00 0.00 H new ATOM 0 HB THR A 53 27.509 2.218 -5.581 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.805 4.403 -6.341 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.654 2.877 -7.811 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.578 1.691 -7.035 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.128 3.412 -7.068 1.00 0.00 H new ATOM 718 N GLY A 54 23.585 1.729 -5.107 1.00 0.00 N ATOM 719 CA GLY A 54 22.656 0.610 -5.416 1.00 0.00 C ATOM 720 C GLY A 54 21.573 1.098 -6.376 1.00 0.00 C ATOM 721 O GLY A 54 21.025 2.171 -6.217 1.00 0.00 O ATOM 0 H GLY A 54 23.173 2.660 -5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.205 -0.220 -5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.202 0.236 -4.498 1.00 0.00 H new ATOM 725 N TYR A 55 21.263 0.317 -7.371 1.00 0.00 N ATOM 726 CA TYR A 55 20.219 0.728 -8.346 1.00 0.00 C ATOM 727 C TYR A 55 18.827 0.435 -7.783 1.00 0.00 C ATOM 728 O TYR A 55 18.418 -0.703 -7.677 1.00 0.00 O ATOM 729 CB TYR A 55 20.412 -0.052 -9.648 1.00 0.00 C ATOM 730 CG TYR A 55 21.894 -0.384 -9.840 1.00 0.00 C ATOM 731 CD1 TYR A 55 22.869 0.529 -9.489 1.00 0.00 C ATOM 732 CD2 TYR A 55 22.277 -1.601 -10.362 1.00 0.00 C ATOM 733 CE1 TYR A 55 24.205 0.227 -9.657 1.00 0.00 C ATOM 734 CE2 TYR A 55 23.612 -1.904 -10.530 1.00 0.00 C ATOM 735 CZ TYR A 55 24.588 -0.992 -10.178 1.00 0.00 C ATOM 736 OH TYR A 55 25.924 -1.296 -10.344 1.00 0.00 O ATOM 0 H TYR A 55 21.690 -0.592 -7.551 1.00 0.00 H new ATOM 0 HA TYR A 55 20.308 1.798 -8.535 1.00 0.00 H new ATOM 0 HB2 TYR A 55 19.825 -0.970 -9.623 1.00 0.00 H new ATOM 0 HB3 TYR A 55 20.049 0.535 -10.492 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.584 1.487 -9.080 1.00 0.00 H new ATOM 0 HD2 TYR A 55 21.525 -2.324 -10.642 1.00 0.00 H new ATOM 0 HE1 TYR A 55 24.957 0.951 -9.378 1.00 0.00 H new ATOM 0 HE2 TYR A 55 23.897 -2.862 -10.940 1.00 0.00 H new ATOM 0 HH TYR A 55 26.010 -2.196 -10.722 1.00 0.00 H new ATOM 746 N ILE A 56 18.095 1.455 -7.420 1.00 0.00 N ATOM 747 CA ILE A 56 16.729 1.227 -6.866 1.00 0.00 C ATOM 748 C ILE A 56 15.731 1.223 -8.031 1.00 0.00 C ATOM 749 O ILE A 56 15.831 2.041 -8.924 1.00 0.00 O ATOM 750 CB ILE A 56 16.366 2.349 -5.886 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.497 3.702 -6.592 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.309 2.309 -4.679 1.00 0.00 C ATOM 753 CD1 ILE A 56 15.879 4.797 -5.720 1.00 0.00 C ATOM 0 H ILE A 56 18.382 2.432 -7.483 1.00 0.00 H new ATOM 0 HA ILE A 56 16.698 0.275 -6.335 1.00 0.00 H new ATOM 0 HB ILE A 56 15.340 2.212 -5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 56 17.547 3.924 -6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 56 15.997 3.668 -7.560 1.00 0.00 H new ATOM 0 HG21 ILE A 56 17.047 3.108 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 56 17.215 1.347 -4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.337 2.444 -5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 56 15.973 5.759 -6.223 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.825 4.577 -5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 56 16.399 4.836 -4.763 1.00 0.00 H new ATOM 765 N PRO A 57 14.799 0.306 -7.994 1.00 0.00 N ATOM 766 CA PRO A 57 13.779 0.190 -9.051 1.00 0.00 C ATOM 767 C PRO A 57 12.941 1.470 -9.118 1.00 0.00 C ATOM 768 O PRO A 57 12.958 2.283 -8.215 1.00 0.00 O ATOM 769 CB PRO A 57 12.915 -1.007 -8.637 1.00 0.00 C ATOM 770 CG PRO A 57 13.489 -1.563 -7.307 1.00 0.00 C ATOM 771 CD PRO A 57 14.680 -0.679 -6.905 1.00 0.00 C ATOM 0 HA PRO A 57 14.217 0.050 -10.039 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.876 -0.703 -8.508 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.929 -1.775 -9.411 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.726 -1.554 -6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.806 -2.598 -7.431 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.505 -0.190 -5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.592 -1.267 -6.801 1.00 0.00 H new ATOM 779 N SER A 58 12.209 1.655 -10.181 1.00 0.00 N ATOM 780 CA SER A 58 11.372 2.879 -10.308 1.00 0.00 C ATOM 781 C SER A 58 10.099 2.713 -9.478 1.00 0.00 C ATOM 782 O SER A 58 9.427 3.672 -9.154 1.00 0.00 O ATOM 783 CB SER A 58 11.005 3.091 -11.780 1.00 0.00 C ATOM 784 OG SER A 58 9.654 2.705 -11.995 1.00 0.00 O ATOM 0 H SER A 58 12.155 1.009 -10.969 1.00 0.00 H new ATOM 0 HA SER A 58 11.928 3.743 -9.945 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.143 4.137 -12.052 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.667 2.506 -12.418 1.00 0.00 H new ATOM 0 HG SER A 58 9.420 2.843 -12.937 1.00 0.00 H new ATOM 790 N ASN A 59 9.761 1.502 -9.133 1.00 0.00 N ATOM 791 CA ASN A 59 8.532 1.273 -8.324 1.00 0.00 C ATOM 792 C ASN A 59 8.902 1.183 -6.843 1.00 0.00 C ATOM 793 O ASN A 59 8.057 0.967 -5.996 1.00 0.00 O ATOM 794 CB ASN A 59 7.871 -0.034 -8.765 1.00 0.00 C ATOM 795 CG ASN A 59 6.710 0.275 -9.712 1.00 0.00 C ATOM 796 OD1 ASN A 59 5.572 -0.030 -9.418 1.00 0.00 O ATOM 797 ND2 ASN A 59 6.952 0.873 -10.847 1.00 0.00 N ATOM 0 H ASN A 59 10.283 0.660 -9.377 1.00 0.00 H new ATOM 0 HA ASN A 59 7.839 2.101 -8.473 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.600 -0.673 -9.263 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.509 -0.582 -7.895 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.185 1.084 -11.486 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.908 1.130 -11.095 1.00 0.00 H new ATOM 804 N TYR A 60 10.158 1.344 -6.517 1.00 0.00 N ATOM 805 CA TYR A 60 10.565 1.265 -5.087 1.00 0.00 C ATOM 806 C TYR A 60 10.947 2.656 -4.575 1.00 0.00 C ATOM 807 O TYR A 60 11.276 2.830 -3.418 1.00 0.00 O ATOM 808 CB TYR A 60 11.746 0.304 -4.939 1.00 0.00 C ATOM 809 CG TYR A 60 11.211 -1.125 -4.825 1.00 0.00 C ATOM 810 CD1 TYR A 60 10.233 -1.576 -5.688 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.689 -1.979 -3.854 1.00 0.00 C ATOM 812 CE1 TYR A 60 9.739 -2.859 -5.579 1.00 0.00 C ATOM 813 CE2 TYR A 60 11.196 -3.263 -3.745 1.00 0.00 C ATOM 814 CZ TYR A 60 10.217 -3.713 -4.607 1.00 0.00 C ATOM 815 OH TYR A 60 9.724 -4.997 -4.497 1.00 0.00 O ATOM 0 H TYR A 60 10.914 1.526 -7.177 1.00 0.00 H new ATOM 0 HA TYR A 60 9.729 0.892 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.412 0.390 -5.798 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.331 0.559 -4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.851 -0.919 -6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.456 -1.640 -3.173 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.972 -3.198 -6.260 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.579 -3.921 -2.979 1.00 0.00 H new ATOM 0 HH TYR A 60 10.175 -5.458 -3.759 1.00 0.00 H new ATOM 825 N VAL A 61 10.893 3.647 -5.429 1.00 0.00 N ATOM 826 CA VAL A 61 11.250 5.031 -5.001 1.00 0.00 C ATOM 827 C VAL A 61 10.288 6.016 -5.665 1.00 0.00 C ATOM 828 O VAL A 61 9.564 5.673 -6.578 1.00 0.00 O ATOM 829 CB VAL A 61 12.690 5.354 -5.416 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.942 4.860 -6.841 1.00 0.00 C ATOM 831 CG2 VAL A 61 12.928 6.866 -5.358 1.00 0.00 C ATOM 0 H VAL A 61 10.616 3.555 -6.406 1.00 0.00 H new ATOM 0 HA VAL A 61 11.173 5.110 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 61 13.373 4.854 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.967 5.092 -7.131 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.788 3.782 -6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.251 5.353 -7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.954 7.084 -5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.239 7.369 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.761 7.222 -4.341 1.00 0.00 H new ATOM 841 N ALA A 62 10.274 7.237 -5.214 1.00 0.00 N ATOM 842 CA ALA A 62 9.356 8.240 -5.824 1.00 0.00 C ATOM 843 C ALA A 62 9.614 9.622 -5.210 1.00 0.00 C ATOM 844 O ALA A 62 9.855 9.732 -4.025 1.00 0.00 O ATOM 845 CB ALA A 62 7.906 7.829 -5.559 1.00 0.00 C ATOM 0 H ALA A 62 10.856 7.585 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 62 9.535 8.285 -6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.233 8.562 -6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.719 6.850 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.732 7.783 -4.484 1.00 0.00 H new ATOM 851 N PRO A 63 9.555 10.638 -6.038 1.00 0.00 N ATOM 852 CA PRO A 63 9.779 12.025 -5.596 1.00 0.00 C ATOM 853 C PRO A 63 8.681 12.452 -4.618 1.00 0.00 C ATOM 854 O PRO A 63 7.716 13.086 -4.994 1.00 0.00 O ATOM 855 CB PRO A 63 9.710 12.865 -6.878 1.00 0.00 C ATOM 856 CG PRO A 63 9.380 11.907 -8.052 1.00 0.00 C ATOM 857 CD PRO A 63 9.274 10.485 -7.479 1.00 0.00 C ATOM 0 HA PRO A 63 10.731 12.145 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.946 13.637 -6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.658 13.373 -7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.445 12.197 -8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.157 11.955 -8.815 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.283 10.064 -7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.990 9.813 -7.953 1.00 0.00 H new ATOM 865 N SER A 64 8.818 12.107 -3.366 1.00 0.00 N ATOM 866 CA SER A 64 7.780 12.494 -2.369 1.00 0.00 C ATOM 867 C SER A 64 6.553 11.595 -2.532 1.00 0.00 C ATOM 868 O SER A 64 6.524 10.831 -3.482 1.00 0.00 O ATOM 869 CB SER A 64 7.377 13.953 -2.595 1.00 0.00 C ATOM 870 OG SER A 64 6.237 14.005 -3.438 1.00 0.00 O ATOM 871 OXT SER A 64 5.662 11.687 -1.702 1.00 0.00 O ATOM 0 H SER A 64 9.603 11.574 -2.991 1.00 0.00 H new ATOM 0 HA SER A 64 8.182 12.378 -1.363 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.159 14.433 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.202 14.503 -3.047 1.00 0.00 H new ATOM 0 HG SER A 64 6.414 13.500 -4.259 1.00 0.00 H new