USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 591 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 22 CYS SG : rot 180:sc= -0.244 USER MOD Set 1.2: A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 43:sc= 0.417 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 130:sc= 0.0824 USER MOD Single : A 21 ASN : amide:sc= -0.118 K(o=-0.12,f=-5.2!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.176 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.496 K(o=-0.5,f=-2.6!) USER MOD Single : A 49 SER OG : rot 39:sc= 0.395 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.04 F(o=-1.2,f=-0.04) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -61:sc= 0.0612 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 16:sc= 0.233! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.694 -21.677 -9.628 1.00 0.00 N ATOM 2 CA GLY A 1 13.457 -21.124 -10.146 1.00 0.00 C ATOM 3 C GLY A 1 13.098 -19.800 -9.500 1.00 0.00 C ATOM 4 O GLY A 1 12.852 -19.736 -8.296 1.00 0.00 O ATOM 0 H1 GLY A 1 14.895 -22.581 -10.101 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.473 -21.012 -9.807 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.602 -21.835 -8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.547 -20.986 -11.223 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.648 -21.836 -9.982 1.00 0.00 H new ATOM 8 N SER A 2 13.068 -18.741 -10.303 1.00 0.00 N ATOM 9 CA SER A 2 12.742 -17.411 -9.801 1.00 0.00 C ATOM 10 C SER A 2 11.523 -17.460 -8.886 1.00 0.00 C ATOM 11 O SER A 2 10.406 -17.719 -9.333 1.00 0.00 O ATOM 12 CB SER A 2 12.481 -16.454 -10.966 1.00 0.00 C ATOM 13 OG SER A 2 13.626 -16.331 -11.792 1.00 0.00 O ATOM 0 H SER A 2 13.265 -18.778 -11.303 1.00 0.00 H new ATOM 0 HA SER A 2 13.593 -17.048 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.640 -16.816 -11.557 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.200 -15.474 -10.580 1.00 0.00 H new ATOM 0 HG SER A 2 13.433 -15.716 -12.530 1.00 0.00 H new ATOM 19 N SER A 3 11.746 -17.207 -7.600 1.00 0.00 N ATOM 20 CA SER A 3 10.668 -17.226 -6.618 1.00 0.00 C ATOM 21 C SER A 3 9.568 -16.240 -7.001 1.00 0.00 C ATOM 22 O SER A 3 9.826 -15.055 -7.208 1.00 0.00 O ATOM 23 CB SER A 3 11.209 -16.889 -5.228 1.00 0.00 C ATOM 24 OG SER A 3 10.178 -16.928 -4.256 1.00 0.00 O ATOM 0 H SER A 3 12.664 -16.986 -7.214 1.00 0.00 H new ATOM 0 HA SER A 3 10.243 -18.230 -6.600 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.994 -17.596 -4.959 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.663 -15.898 -5.241 1.00 0.00 H new ATOM 0 HG SER A 3 10.550 -16.711 -3.376 1.00 0.00 H new ATOM 30 N GLY A 4 8.339 -16.740 -7.093 1.00 0.00 N ATOM 31 CA GLY A 4 7.218 -15.891 -7.451 1.00 0.00 C ATOM 32 C GLY A 4 6.601 -15.208 -6.247 1.00 0.00 C ATOM 33 O GLY A 4 6.716 -15.695 -5.122 1.00 0.00 O ATOM 0 H GLY A 4 8.100 -17.717 -6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.551 -15.135 -8.162 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.459 -16.490 -7.954 1.00 0.00 H new ATOM 37 N SER A 5 5.945 -14.076 -6.482 1.00 0.00 N ATOM 38 CA SER A 5 5.311 -13.322 -5.407 1.00 0.00 C ATOM 39 C SER A 5 4.383 -12.249 -5.969 1.00 0.00 C ATOM 40 O SER A 5 4.665 -11.651 -7.008 1.00 0.00 O ATOM 41 CB SER A 5 6.373 -12.677 -4.514 1.00 0.00 C ATOM 42 OG SER A 5 5.775 -11.885 -3.502 1.00 0.00 O ATOM 0 H SER A 5 5.839 -13.661 -7.408 1.00 0.00 H new ATOM 0 HA SER A 5 4.717 -14.015 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.989 -13.452 -4.058 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.036 -12.059 -5.120 1.00 0.00 H new ATOM 0 HG SER A 5 6.474 -11.485 -2.944 1.00 0.00 H new ATOM 48 N SER A 6 3.275 -12.012 -5.275 1.00 0.00 N ATOM 49 CA SER A 6 2.302 -11.014 -5.705 1.00 0.00 C ATOM 50 C SER A 6 2.918 -9.618 -5.703 1.00 0.00 C ATOM 51 O SER A 6 2.726 -8.841 -6.636 1.00 0.00 O ATOM 52 CB SER A 6 1.073 -11.043 -4.795 1.00 0.00 C ATOM 53 OG SER A 6 -0.048 -10.455 -5.432 1.00 0.00 O ATOM 0 H SER A 6 3.028 -12.497 -4.412 1.00 0.00 H new ATOM 0 HA SER A 6 1.997 -11.256 -6.723 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.842 -12.073 -4.524 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.290 -10.510 -3.869 1.00 0.00 H new ATOM 0 HG SER A 6 -0.821 -10.488 -4.830 1.00 0.00 H new ATOM 59 N GLY A 7 3.661 -9.308 -4.644 1.00 0.00 N ATOM 60 CA GLY A 7 4.294 -8.006 -4.538 1.00 0.00 C ATOM 61 C GLY A 7 4.753 -7.698 -3.127 1.00 0.00 C ATOM 62 O GLY A 7 4.785 -8.581 -2.270 1.00 0.00 O ATOM 0 H GLY A 7 3.836 -9.935 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.150 -7.965 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.594 -7.237 -4.865 1.00 0.00 H new ATOM 66 N SER A 8 5.110 -6.441 -2.884 1.00 0.00 N ATOM 67 CA SER A 8 5.575 -6.019 -1.568 1.00 0.00 C ATOM 68 C SER A 8 4.405 -5.573 -0.696 1.00 0.00 C ATOM 69 O SER A 8 4.189 -6.105 0.392 1.00 0.00 O ATOM 70 CB SER A 8 6.589 -4.882 -1.702 1.00 0.00 C ATOM 71 OG SER A 8 7.140 -4.538 -0.442 1.00 0.00 O ATOM 0 H SER A 8 5.086 -5.697 -3.581 1.00 0.00 H new ATOM 0 HA SER A 8 6.058 -6.871 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.387 -5.181 -2.382 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.106 -4.009 -2.141 1.00 0.00 H new ATOM 0 HG SER A 8 7.786 -3.810 -0.555 1.00 0.00 H new ATOM 77 N GLY A 9 3.653 -4.590 -1.183 1.00 0.00 N ATOM 78 CA GLY A 9 2.515 -4.087 -0.437 1.00 0.00 C ATOM 79 C GLY A 9 2.618 -2.602 -0.153 1.00 0.00 C ATOM 80 O GLY A 9 3.129 -2.196 0.891 1.00 0.00 O ATOM 0 H GLY A 9 3.812 -4.133 -2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.601 -4.284 -0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.434 -4.629 0.505 1.00 0.00 H new ATOM 84 N TYR A 10 2.133 -1.789 -1.085 1.00 0.00 N ATOM 85 CA TYR A 10 2.176 -0.339 -0.932 1.00 0.00 C ATOM 86 C TYR A 10 0.945 0.312 -1.555 1.00 0.00 C ATOM 87 O TYR A 10 0.668 0.135 -2.741 1.00 0.00 O ATOM 88 CB TYR A 10 3.445 0.225 -1.574 1.00 0.00 C ATOM 89 CG TYR A 10 4.643 0.222 -0.652 1.00 0.00 C ATOM 90 CD1 TYR A 10 5.287 -0.964 -0.321 1.00 0.00 C ATOM 91 CD2 TYR A 10 5.130 1.405 -0.110 1.00 0.00 C ATOM 92 CE1 TYR A 10 6.382 -0.971 0.521 1.00 0.00 C ATOM 93 CE2 TYR A 10 6.225 1.407 0.732 1.00 0.00 C ATOM 94 CZ TYR A 10 6.847 0.217 1.045 1.00 0.00 C ATOM 95 OH TYR A 10 7.937 0.215 1.885 1.00 0.00 O ATOM 0 H TYR A 10 1.706 -2.109 -1.954 1.00 0.00 H new ATOM 0 HA TYR A 10 2.184 -0.112 0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.681 -0.357 -2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.253 1.246 -1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.925 -1.896 -0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.644 2.339 -0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.871 -1.902 0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.592 2.336 1.143 1.00 0.00 H new ATOM 0 HH TYR A 10 8.136 1.133 2.165 1.00 0.00 H new ATOM 105 N VAL A 11 0.208 1.066 -0.745 1.00 0.00 N ATOM 106 CA VAL A 11 -0.993 1.745 -1.215 1.00 0.00 C ATOM 107 C VAL A 11 -0.956 3.229 -0.869 1.00 0.00 C ATOM 108 O VAL A 11 -0.488 3.615 0.203 1.00 0.00 O ATOM 109 CB VAL A 11 -2.264 1.120 -0.611 1.00 0.00 C ATOM 110 CG1 VAL A 11 -2.281 -0.384 -0.841 1.00 0.00 C ATOM 111 CG2 VAL A 11 -2.363 1.441 0.872 1.00 0.00 C ATOM 0 H VAL A 11 0.422 1.222 0.240 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.019 1.628 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.132 1.550 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.187 -0.808 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.261 -0.589 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.408 -0.834 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.267 0.991 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.492 1.040 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.401 2.522 1.009 1.00 0.00 H new ATOM 121 N ILE A 12 -1.453 4.057 -1.782 1.00 0.00 N ATOM 122 CA ILE A 12 -1.478 5.499 -1.572 1.00 0.00 C ATOM 123 C ILE A 12 -2.871 5.972 -1.169 1.00 0.00 C ATOM 124 O ILE A 12 -3.875 5.368 -1.545 1.00 0.00 O ATOM 125 CB ILE A 12 -1.035 6.260 -2.836 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.802 7.737 -2.513 1.00 0.00 C ATOM 127 CG2 ILE A 12 -2.076 6.111 -3.935 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.152 8.421 -3.468 1.00 0.00 C ATOM 0 H ILE A 12 -1.844 3.754 -2.674 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.777 5.712 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.097 5.832 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.758 8.260 -2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.411 7.822 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.749 6.654 -4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.198 5.056 -4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.028 6.516 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.270 9.465 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.121 7.923 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.247 8.368 -4.481 1.00 0.00 H new ATOM 140 N ALA A 13 -2.923 7.057 -0.404 1.00 0.00 N ATOM 141 CA ALA A 13 -4.193 7.613 0.046 1.00 0.00 C ATOM 142 C ALA A 13 -4.762 8.585 -0.982 1.00 0.00 C ATOM 143 O ALA A 13 -4.290 9.716 -1.110 1.00 0.00 O ATOM 144 CB ALA A 13 -4.019 8.305 1.390 1.00 0.00 C ATOM 0 H ALA A 13 -2.101 7.568 -0.083 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.901 6.792 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.975 8.716 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.665 7.584 2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.292 9.111 1.293 1.00 0.00 H new ATOM 150 N LEU A 14 -5.777 8.139 -1.713 1.00 0.00 N ATOM 151 CA LEU A 14 -6.410 8.970 -2.731 1.00 0.00 C ATOM 152 C LEU A 14 -6.871 10.298 -2.140 1.00 0.00 C ATOM 153 O LEU A 14 -6.822 11.334 -2.804 1.00 0.00 O ATOM 154 CB LEU A 14 -7.599 8.234 -3.351 1.00 0.00 C ATOM 155 CG LEU A 14 -7.304 6.852 -3.935 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.545 5.975 -3.886 1.00 0.00 C ATOM 157 CD2 LEU A 14 -6.791 6.975 -5.362 1.00 0.00 C ATOM 0 H LEU A 14 -6.180 7.206 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.673 9.175 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.371 8.127 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.015 8.859 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.529 6.381 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.315 4.996 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.868 5.859 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.342 6.440 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.586 5.982 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.544 7.466 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.875 7.565 -5.370 1.00 0.00 H new ATOM 169 N ARG A 15 -7.317 10.261 -0.889 1.00 0.00 N ATOM 170 CA ARG A 15 -7.786 11.462 -0.209 1.00 0.00 C ATOM 171 C ARG A 15 -7.033 11.673 1.101 1.00 0.00 C ATOM 172 O ARG A 15 -6.100 10.936 1.419 1.00 0.00 O ATOM 173 CB ARG A 15 -9.288 11.366 0.064 1.00 0.00 C ATOM 174 CG ARG A 15 -9.715 10.035 0.662 1.00 0.00 C ATOM 175 CD ARG A 15 -11.190 10.038 1.032 1.00 0.00 C ATOM 176 NE ARG A 15 -11.510 11.085 1.999 1.00 0.00 N ATOM 177 CZ ARG A 15 -11.783 12.340 1.660 1.00 0.00 C ATOM 178 NH1 ARG A 15 -11.775 12.702 0.384 1.00 0.00 N ATOM 179 NH2 ARG A 15 -12.064 13.235 2.598 1.00 0.00 N ATOM 0 H ARG A 15 -7.363 9.412 -0.326 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.596 12.316 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.577 12.169 0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.829 11.526 -0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.519 9.235 -0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.117 9.825 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.789 10.180 0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.462 9.067 1.446 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.525 10.839 2.989 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.559 12.016 -0.339 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.985 13.666 0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.070 12.960 3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.274 14.199 2.337 1.00 0.00 H new ATOM 193 N SER A 16 -7.445 12.686 1.858 1.00 0.00 N ATOM 194 CA SER A 16 -6.806 12.998 3.131 1.00 0.00 C ATOM 195 C SER A 16 -7.674 12.540 4.300 1.00 0.00 C ATOM 196 O SER A 16 -8.729 13.116 4.567 1.00 0.00 O ATOM 197 CB SER A 16 -6.539 14.500 3.237 1.00 0.00 C ATOM 198 OG SER A 16 -7.721 15.246 3.007 1.00 0.00 O ATOM 0 H SER A 16 -8.218 13.304 1.611 1.00 0.00 H new ATOM 0 HA SER A 16 -5.857 12.464 3.174 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.145 14.733 4.226 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.777 14.789 2.514 1.00 0.00 H new ATOM 0 HG SER A 16 -8.472 14.819 3.469 1.00 0.00 H new ATOM 204 N TYR A 17 -7.221 11.501 4.993 1.00 0.00 N ATOM 205 CA TYR A 17 -7.956 10.963 6.132 1.00 0.00 C ATOM 206 C TYR A 17 -7.373 11.474 7.446 1.00 0.00 C ATOM 207 O TYR A 17 -6.429 10.897 7.985 1.00 0.00 O ATOM 208 CB TYR A 17 -7.927 9.434 6.108 1.00 0.00 C ATOM 209 CG TYR A 17 -9.141 8.796 6.744 1.00 0.00 C ATOM 210 CD1 TYR A 17 -10.322 8.639 6.029 1.00 0.00 C ATOM 211 CD2 TYR A 17 -9.108 8.350 8.059 1.00 0.00 C ATOM 212 CE1 TYR A 17 -11.434 8.057 6.605 1.00 0.00 C ATOM 213 CE2 TYR A 17 -10.215 7.766 8.644 1.00 0.00 C ATOM 214 CZ TYR A 17 -11.376 7.621 7.913 1.00 0.00 C ATOM 215 OH TYR A 17 -12.481 7.041 8.492 1.00 0.00 O ATOM 0 H TYR A 17 -6.349 11.015 4.786 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.990 11.301 6.058 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.849 9.097 5.075 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.032 9.088 6.625 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.371 8.978 5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.201 8.462 8.634 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.344 7.944 6.035 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.172 7.425 9.668 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.272 6.789 9.416 1.00 0.00 H new ATOM 225 N ILE A 18 -7.945 12.560 7.956 1.00 0.00 N ATOM 226 CA ILE A 18 -7.484 13.148 9.208 1.00 0.00 C ATOM 227 C ILE A 18 -8.478 12.890 10.335 1.00 0.00 C ATOM 228 O ILE A 18 -9.643 13.280 10.253 1.00 0.00 O ATOM 229 CB ILE A 18 -7.265 14.666 9.070 1.00 0.00 C ATOM 230 CG1 ILE A 18 -6.229 14.957 7.982 1.00 0.00 C ATOM 231 CG2 ILE A 18 -6.827 15.262 10.399 1.00 0.00 C ATOM 232 CD1 ILE A 18 -4.840 14.464 8.324 1.00 0.00 C ATOM 0 H ILE A 18 -8.727 13.050 7.522 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.533 12.672 9.449 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.208 15.129 8.781 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.552 14.492 7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.191 16.032 7.806 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.676 16.335 10.284 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.596 15.082 11.150 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.894 14.797 10.717 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.158 14.704 7.509 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.497 14.948 9.239 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.863 13.384 8.472 1.00 0.00 H new ATOM 244 N THR A 19 -8.010 12.231 11.390 1.00 0.00 N ATOM 245 CA THR A 19 -8.857 11.921 12.535 1.00 0.00 C ATOM 246 C THR A 19 -8.109 12.133 13.846 1.00 0.00 C ATOM 247 O THR A 19 -6.990 11.650 14.019 1.00 0.00 O ATOM 248 CB THR A 19 -9.368 10.469 12.479 1.00 0.00 C ATOM 249 OG1 THR A 19 -9.740 10.029 13.790 1.00 0.00 O ATOM 250 CG2 THR A 19 -8.305 9.542 11.911 1.00 0.00 C ATOM 0 H THR A 19 -7.048 11.901 11.475 1.00 0.00 H new ATOM 0 HA THR A 19 -9.708 12.601 12.491 1.00 0.00 H new ATOM 0 HB THR A 19 -10.240 10.440 11.825 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.637 9.636 13.761 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.689 8.522 11.882 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.045 9.861 10.902 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.417 9.577 12.542 1.00 0.00 H new ATOM 258 N ASP A 20 -8.733 12.859 14.767 1.00 0.00 N ATOM 259 CA ASP A 20 -8.127 13.134 16.065 1.00 0.00 C ATOM 260 C ASP A 20 -7.923 11.845 16.854 1.00 0.00 C ATOM 261 O ASP A 20 -7.051 11.766 17.718 1.00 0.00 O ATOM 262 CB ASP A 20 -8.999 14.104 16.864 1.00 0.00 C ATOM 263 CG ASP A 20 -8.674 15.555 16.567 1.00 0.00 C ATOM 264 OD1 ASP A 20 -7.706 16.079 17.157 1.00 0.00 O ATOM 265 OD2 ASP A 20 -9.386 16.165 15.743 1.00 0.00 O ATOM 0 H ASP A 20 -9.659 13.268 14.639 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.152 13.591 15.894 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.048 13.916 16.637 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.865 13.915 17.929 1.00 0.00 H new ATOM 270 N ASN A 21 -8.736 10.837 16.551 1.00 0.00 N ATOM 271 CA ASN A 21 -8.646 9.552 17.234 1.00 0.00 C ATOM 272 C ASN A 21 -7.237 8.977 17.127 1.00 0.00 C ATOM 273 O ASN A 21 -6.545 9.182 16.129 1.00 0.00 O ATOM 274 CB ASN A 21 -9.657 8.566 16.645 1.00 0.00 C ATOM 275 CG ASN A 21 -10.026 7.465 17.620 1.00 0.00 C ATOM 276 OD1 ASN A 21 -9.414 7.327 18.679 1.00 0.00 O ATOM 277 ND2 ASN A 21 -11.032 6.674 17.265 1.00 0.00 N ATOM 0 H ASN A 21 -9.463 10.886 15.838 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.875 9.712 18.288 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.558 9.105 16.352 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.243 8.122 15.740 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.326 5.915 17.880 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.511 6.825 16.377 1.00 0.00 H new ATOM 284 N CYS A 22 -6.818 8.256 18.162 1.00 0.00 N ATOM 285 CA CYS A 22 -5.491 7.651 18.185 1.00 0.00 C ATOM 286 C CYS A 22 -5.527 6.240 17.606 1.00 0.00 C ATOM 287 O CYS A 22 -4.599 5.818 16.917 1.00 0.00 O ATOM 288 CB CYS A 22 -4.949 7.615 19.615 1.00 0.00 C ATOM 289 SG CYS A 22 -5.980 6.683 20.772 1.00 0.00 S ATOM 0 H CYS A 22 -7.378 8.076 18.995 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.830 8.260 17.569 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.950 7.179 19.603 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.846 8.637 19.979 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.438 6.708 21.953 1.00 0.00 H new ATOM 295 N SER A 23 -6.603 5.516 17.893 1.00 0.00 N ATOM 296 CA SER A 23 -6.758 4.150 17.405 1.00 0.00 C ATOM 297 C SER A 23 -6.593 4.093 15.889 1.00 0.00 C ATOM 298 O SER A 23 -5.837 3.274 15.366 1.00 0.00 O ATOM 299 CB SER A 23 -8.127 3.596 17.802 1.00 0.00 C ATOM 300 OG SER A 23 -8.342 3.718 19.198 1.00 0.00 O ATOM 0 H SER A 23 -7.381 5.852 18.461 1.00 0.00 H new ATOM 0 HA SER A 23 -5.981 3.537 17.861 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.909 4.130 17.262 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.197 2.548 17.510 1.00 0.00 H new ATOM 0 HG SER A 23 -9.225 3.358 19.426 1.00 0.00 H new ATOM 306 N LEU A 24 -7.307 4.968 15.190 1.00 0.00 N ATOM 307 CA LEU A 24 -7.242 5.018 13.733 1.00 0.00 C ATOM 308 C LEU A 24 -5.924 5.630 13.268 1.00 0.00 C ATOM 309 O LEU A 24 -5.080 6.006 14.083 1.00 0.00 O ATOM 310 CB LEU A 24 -8.416 5.826 13.178 1.00 0.00 C ATOM 311 CG LEU A 24 -9.807 5.393 13.642 1.00 0.00 C ATOM 312 CD1 LEU A 24 -10.851 6.419 13.227 1.00 0.00 C ATOM 313 CD2 LEU A 24 -10.153 4.021 13.081 1.00 0.00 C ATOM 0 H LEU A 24 -7.937 5.652 15.608 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.301 3.997 13.356 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.273 6.872 13.451 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.385 5.774 12.090 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.803 5.328 14.730 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.835 6.094 13.566 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.612 7.383 13.676 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.855 6.516 12.141 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.146 3.729 13.421 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.139 4.059 11.992 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.421 3.291 13.428 1.00 0.00 H new ATOM 325 N LEU A 25 -5.755 5.728 11.954 1.00 0.00 N ATOM 326 CA LEU A 25 -4.540 6.296 11.380 1.00 0.00 C ATOM 327 C LEU A 25 -4.836 7.618 10.678 1.00 0.00 C ATOM 328 O LEU A 25 -5.763 7.711 9.874 1.00 0.00 O ATOM 329 CB LEU A 25 -3.910 5.312 10.393 1.00 0.00 C ATOM 330 CG LEU A 25 -2.649 5.795 9.676 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.545 6.090 10.679 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.186 4.762 8.658 1.00 0.00 C ATOM 0 H LEU A 25 -6.443 5.422 11.266 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.838 6.486 12.192 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.670 4.394 10.929 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.656 5.055 9.641 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.886 6.718 9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.655 6.433 10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.878 6.865 11.369 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.309 5.184 11.237 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.287 5.122 8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.966 3.823 9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.972 4.600 7.921 1.00 0.00 H new ATOM 344 N SER A 26 -4.041 8.637 10.987 1.00 0.00 N ATOM 345 CA SER A 26 -4.219 9.954 10.388 1.00 0.00 C ATOM 346 C SER A 26 -3.181 10.199 9.297 1.00 0.00 C ATOM 347 O SER A 26 -1.982 10.021 9.513 1.00 0.00 O ATOM 348 CB SER A 26 -4.117 11.043 11.458 1.00 0.00 C ATOM 349 OG SER A 26 -4.901 12.172 11.113 1.00 0.00 O ATOM 0 H SER A 26 -3.267 8.576 11.649 1.00 0.00 H new ATOM 0 HA SER A 26 -5.211 9.990 9.937 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.448 10.646 12.418 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.076 11.342 11.579 1.00 0.00 H new ATOM 0 HG SER A 26 -4.820 12.853 11.813 1.00 0.00 H new ATOM 355 N PHE A 27 -3.651 10.609 8.123 1.00 0.00 N ATOM 356 CA PHE A 27 -2.765 10.877 6.996 1.00 0.00 C ATOM 357 C PHE A 27 -3.428 11.821 5.997 1.00 0.00 C ATOM 358 O PHE A 27 -4.643 12.020 6.025 1.00 0.00 O ATOM 359 CB PHE A 27 -2.378 9.570 6.301 1.00 0.00 C ATOM 360 CG PHE A 27 -3.558 8.781 5.809 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.365 9.276 4.797 1.00 0.00 C ATOM 362 CD2 PHE A 27 -3.858 7.545 6.357 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.451 8.552 4.342 1.00 0.00 C ATOM 364 CE2 PHE A 27 -4.943 6.816 5.906 1.00 0.00 C ATOM 365 CZ PHE A 27 -5.740 7.320 4.897 1.00 0.00 C ATOM 0 H PHE A 27 -4.640 10.763 7.928 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.864 11.356 7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.725 9.796 5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.803 8.955 6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.143 10.238 4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.237 7.146 7.146 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.073 8.949 3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.167 5.854 6.342 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.588 6.752 4.542 1.00 0.00 H new ATOM 375 N HIS A 28 -2.620 12.400 5.114 1.00 0.00 N ATOM 376 CA HIS A 28 -3.127 13.323 4.105 1.00 0.00 C ATOM 377 C HIS A 28 -3.231 12.638 2.745 1.00 0.00 C ATOM 378 O HIS A 28 -2.963 11.444 2.619 1.00 0.00 O ATOM 379 CB HIS A 28 -2.219 14.549 4.003 1.00 0.00 C ATOM 380 CG HIS A 28 -2.577 15.641 4.964 1.00 0.00 C ATOM 381 ND1 HIS A 28 -1.903 15.852 6.148 1.00 0.00 N ATOM 382 CD2 HIS A 28 -3.545 16.586 4.910 1.00 0.00 C ATOM 383 CE1 HIS A 28 -2.441 16.879 6.782 1.00 0.00 C ATOM 384 NE2 HIS A 28 -3.439 17.342 6.051 1.00 0.00 N ATOM 0 H HIS A 28 -1.612 12.246 5.077 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.124 13.642 4.409 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.188 14.243 4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.264 14.941 2.987 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.266 16.720 4.117 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.120 17.273 7.735 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.035 18.133 6.295 1.00 0.00 H new ATOM 393 N ARG A 29 -3.623 13.403 1.731 1.00 0.00 N ATOM 394 CA ARG A 29 -3.764 12.869 0.382 1.00 0.00 C ATOM 395 C ARG A 29 -2.400 12.687 -0.276 1.00 0.00 C ATOM 396 O ARG A 29 -1.504 13.513 -0.110 1.00 0.00 O ATOM 397 CB ARG A 29 -4.633 13.798 -0.468 1.00 0.00 C ATOM 398 CG ARG A 29 -3.955 15.111 -0.823 1.00 0.00 C ATOM 399 CD ARG A 29 -4.649 15.801 -1.987 1.00 0.00 C ATOM 400 NE ARG A 29 -4.410 17.241 -1.991 1.00 0.00 N ATOM 401 CZ ARG A 29 -5.192 18.114 -2.617 1.00 0.00 C ATOM 402 NH1 ARG A 29 -6.258 17.695 -3.284 1.00 0.00 N ATOM 403 NH2 ARG A 29 -4.908 19.410 -2.575 1.00 0.00 N ATOM 0 H ARG A 29 -3.848 14.394 1.818 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.247 11.894 0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.910 13.282 -1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.557 14.010 0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.958 15.770 0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.912 14.925 -1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.296 15.372 -2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.721 15.612 -1.934 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.598 17.596 -1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.480 16.700 -3.318 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.856 18.368 -3.764 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.089 19.736 -2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.509 20.080 -3.056 1.00 0.00 H new ATOM 417 N GLY A 30 -2.250 11.598 -1.025 1.00 0.00 N ATOM 418 CA GLY A 30 -0.992 11.327 -1.696 1.00 0.00 C ATOM 419 C GLY A 30 0.045 10.730 -0.766 1.00 0.00 C ATOM 420 O GLY A 30 1.048 10.177 -1.216 1.00 0.00 O ATOM 0 H GLY A 30 -2.977 10.899 -1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.167 10.643 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.604 12.253 -2.121 1.00 0.00 H new ATOM 424 N ASP A 31 -0.196 10.842 0.536 1.00 0.00 N ATOM 425 CA ASP A 31 0.725 10.309 1.533 1.00 0.00 C ATOM 426 C ASP A 31 0.769 8.785 1.472 1.00 0.00 C ATOM 427 O ASP A 31 -0.089 8.106 2.036 1.00 0.00 O ATOM 428 CB ASP A 31 0.313 10.764 2.934 1.00 0.00 C ATOM 429 CG ASP A 31 0.860 12.135 3.281 1.00 0.00 C ATOM 430 OD1 ASP A 31 0.582 13.093 2.529 1.00 0.00 O ATOM 431 OD2 ASP A 31 1.564 12.251 4.305 1.00 0.00 O ATOM 0 H ASP A 31 -1.022 11.297 0.925 1.00 0.00 H new ATOM 0 HA ASP A 31 1.721 10.693 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.775 10.782 3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.666 10.039 3.667 1.00 0.00 H new ATOM 436 N LEU A 32 1.774 8.255 0.784 1.00 0.00 N ATOM 437 CA LEU A 32 1.931 6.811 0.648 1.00 0.00 C ATOM 438 C LEU A 32 1.837 6.123 2.007 1.00 0.00 C ATOM 439 O LEU A 32 2.537 6.492 2.950 1.00 0.00 O ATOM 440 CB LEU A 32 3.272 6.483 -0.011 1.00 0.00 C ATOM 441 CG LEU A 32 3.674 5.008 -0.016 1.00 0.00 C ATOM 442 CD1 LEU A 32 4.581 4.706 -1.199 1.00 0.00 C ATOM 443 CD2 LEU A 32 4.358 4.636 1.291 1.00 0.00 C ATOM 0 H LEU A 32 2.493 8.803 0.312 1.00 0.00 H new ATOM 0 HA LEU A 32 1.123 6.440 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.243 6.835 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.052 7.050 0.497 1.00 0.00 H new ATOM 0 HG LEU A 32 2.771 4.406 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.857 3.652 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.056 4.932 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.481 5.317 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.637 3.582 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.252 5.245 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.675 4.813 2.122 1.00 0.00 H new ATOM 455 N ILE A 33 0.969 5.121 2.098 1.00 0.00 N ATOM 456 CA ILE A 33 0.787 4.380 3.339 1.00 0.00 C ATOM 457 C ILE A 33 1.405 2.989 3.245 1.00 0.00 C ATOM 458 O ILE A 33 1.002 2.173 2.416 1.00 0.00 O ATOM 459 CB ILE A 33 -0.704 4.243 3.700 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.324 5.623 3.932 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.873 3.367 4.932 1.00 0.00 C ATOM 462 CD1 ILE A 33 -2.798 5.687 3.599 1.00 0.00 C ATOM 0 H ILE A 33 0.381 4.804 1.327 1.00 0.00 H new ATOM 0 HA ILE A 33 1.291 4.947 4.121 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.222 3.768 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.183 5.905 4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.791 6.358 3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.932 3.280 5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.464 2.377 4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.344 3.816 5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.170 6.694 3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.945 5.436 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.343 4.977 4.221 1.00 0.00 H new ATOM 474 N LYS A 34 2.385 2.724 4.102 1.00 0.00 N ATOM 475 CA LYS A 34 3.058 1.431 4.119 1.00 0.00 C ATOM 476 C LYS A 34 2.229 0.395 4.871 1.00 0.00 C ATOM 477 O LYS A 34 1.684 0.678 5.939 1.00 0.00 O ATOM 478 CB LYS A 34 4.440 1.560 4.765 1.00 0.00 C ATOM 479 CG LYS A 34 5.447 0.543 4.256 1.00 0.00 C ATOM 480 CD LYS A 34 6.646 0.434 5.183 1.00 0.00 C ATOM 481 CE LYS A 34 6.403 -0.576 6.294 1.00 0.00 C ATOM 482 NZ LYS A 34 7.595 -0.731 7.173 1.00 0.00 N ATOM 0 H LYS A 34 2.731 3.388 4.794 1.00 0.00 H new ATOM 0 HA LYS A 34 3.175 1.098 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.825 2.563 4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.339 1.450 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.967 -0.431 4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.782 0.829 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.525 0.141 4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.861 1.410 5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.549 -0.259 6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.146 -1.541 5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.389 -1.428 7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.404 -1.058 6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.826 0.184 7.610 1.00 0.00 H new ATOM 496 N LEU A 35 2.138 -0.805 4.309 1.00 0.00 N ATOM 497 CA LEU A 35 1.375 -1.884 4.928 1.00 0.00 C ATOM 498 C LEU A 35 2.232 -2.651 5.930 1.00 0.00 C ATOM 499 O LEU A 35 3.096 -3.441 5.548 1.00 0.00 O ATOM 500 CB LEU A 35 0.844 -2.839 3.858 1.00 0.00 C ATOM 501 CG LEU A 35 -0.147 -2.243 2.858 1.00 0.00 C ATOM 502 CD1 LEU A 35 -0.440 -3.232 1.741 1.00 0.00 C ATOM 503 CD2 LEU A 35 -1.434 -1.835 3.562 1.00 0.00 C ATOM 0 H LEU A 35 2.583 -1.056 3.426 1.00 0.00 H new ATOM 0 HA LEU A 35 0.533 -1.441 5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.693 -3.239 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.364 -3.681 4.357 1.00 0.00 H new ATOM 0 HG LEU A 35 0.302 -1.353 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.147 -2.790 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.485 -3.475 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.868 -4.141 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.128 -1.413 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.886 -2.710 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.211 -1.090 4.326 1.00 0.00 H new ATOM 515 N LEU A 36 1.986 -2.414 7.214 1.00 0.00 N ATOM 516 CA LEU A 36 2.734 -3.084 8.273 1.00 0.00 C ATOM 517 C LEU A 36 2.334 -4.553 8.375 1.00 0.00 C ATOM 518 O LEU A 36 1.226 -4.947 8.010 1.00 0.00 O ATOM 519 CB LEU A 36 2.497 -2.385 9.612 1.00 0.00 C ATOM 520 CG LEU A 36 3.157 -1.015 9.780 1.00 0.00 C ATOM 521 CD1 LEU A 36 2.792 -0.408 11.126 1.00 0.00 C ATOM 522 CD2 LEU A 36 4.667 -1.130 9.636 1.00 0.00 C ATOM 0 H LEU A 36 1.275 -1.763 7.547 1.00 0.00 H new ATOM 0 HA LEU A 36 3.794 -3.031 8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.422 -2.268 9.753 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.854 -3.038 10.408 1.00 0.00 H new ATOM 0 HG LEU A 36 2.787 -0.355 8.995 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.271 0.566 11.228 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.710 -0.289 11.190 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.133 -1.065 11.926 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.120 -0.146 9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.055 -1.806 10.398 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.910 -1.521 8.648 1.00 0.00 H new ATOM 534 N PRO A 37 3.256 -5.382 8.886 1.00 0.00 N ATOM 535 CA PRO A 37 3.021 -6.820 9.052 1.00 0.00 C ATOM 536 C PRO A 37 2.003 -7.119 10.147 1.00 0.00 C ATOM 537 O PRO A 37 2.229 -6.816 11.318 1.00 0.00 O ATOM 538 CB PRO A 37 4.399 -7.361 9.441 1.00 0.00 C ATOM 539 CG PRO A 37 5.100 -6.202 10.061 1.00 0.00 C ATOM 540 CD PRO A 37 4.597 -4.981 9.343 1.00 0.00 C ATOM 0 HA PRO A 37 2.609 -7.272 8.150 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.315 -8.193 10.140 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.940 -7.731 8.570 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.887 -6.143 11.128 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.181 -6.298 9.957 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.554 -4.115 10.004 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.243 -4.712 8.507 1.00 0.00 H new ATOM 548 N VAL A 38 0.881 -7.716 9.758 1.00 0.00 N ATOM 549 CA VAL A 38 -0.172 -8.058 10.707 1.00 0.00 C ATOM 550 C VAL A 38 -0.679 -9.478 10.477 1.00 0.00 C ATOM 551 O VAL A 38 -0.672 -9.976 9.352 1.00 0.00 O ATOM 552 CB VAL A 38 -1.357 -7.079 10.607 1.00 0.00 C ATOM 553 CG1 VAL A 38 -1.760 -6.874 9.154 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.534 -7.582 11.429 1.00 0.00 C ATOM 0 H VAL A 38 0.678 -7.973 8.792 1.00 0.00 H new ATOM 0 HA VAL A 38 0.264 -7.988 11.703 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.045 -6.116 11.012 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.599 -6.179 9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.917 -6.466 8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.054 -7.830 8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.362 -6.878 11.347 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.848 -8.557 11.056 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.236 -7.672 12.474 1.00 0.00 H new ATOM 564 N ALA A 39 -1.119 -10.124 11.552 1.00 0.00 N ATOM 565 CA ALA A 39 -1.632 -11.485 11.468 1.00 0.00 C ATOM 566 C ALA A 39 -2.947 -11.530 10.697 1.00 0.00 C ATOM 567 O ALA A 39 -3.094 -12.294 9.743 1.00 0.00 O ATOM 568 CB ALA A 39 -1.815 -12.067 12.862 1.00 0.00 C ATOM 0 H ALA A 39 -1.130 -9.726 12.491 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.903 -12.089 10.927 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.199 -13.084 12.784 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.856 -12.080 13.380 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.522 -11.455 13.422 1.00 0.00 H new ATOM 574 N THR A 40 -3.902 -10.706 11.117 1.00 0.00 N ATOM 575 CA THR A 40 -5.206 -10.653 10.468 1.00 0.00 C ATOM 576 C THR A 40 -5.871 -9.298 10.680 1.00 0.00 C ATOM 577 O THR A 40 -5.599 -8.608 11.664 1.00 0.00 O ATOM 578 CB THR A 40 -6.141 -11.759 10.992 1.00 0.00 C ATOM 579 OG1 THR A 40 -7.350 -11.782 10.226 1.00 0.00 O ATOM 580 CG2 THR A 40 -6.469 -11.538 12.461 1.00 0.00 C ATOM 0 H THR A 40 -3.797 -10.066 11.904 1.00 0.00 H new ATOM 0 HA THR A 40 -5.035 -10.808 9.403 1.00 0.00 H new ATOM 0 HB THR A 40 -5.629 -12.716 10.890 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.938 -12.489 10.564 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.131 -12.331 12.809 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.549 -11.550 13.045 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.963 -10.574 12.582 1.00 0.00 H new ATOM 588 N LEU A 41 -6.745 -8.921 9.754 1.00 0.00 N ATOM 589 CA LEU A 41 -7.451 -7.648 9.840 1.00 0.00 C ATOM 590 C LEU A 41 -8.929 -7.820 9.501 1.00 0.00 C ATOM 591 O LEU A 41 -9.371 -8.913 9.150 1.00 0.00 O ATOM 592 CB LEU A 41 -6.816 -6.625 8.897 1.00 0.00 C ATOM 593 CG LEU A 41 -5.609 -5.864 9.447 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.854 -5.174 8.321 1.00 0.00 C ATOM 595 CD2 LEU A 41 -6.049 -4.852 10.494 1.00 0.00 C ATOM 0 H LEU A 41 -6.982 -9.479 8.934 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.372 -7.286 10.865 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.511 -7.140 7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.579 -5.900 8.613 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.938 -6.580 9.921 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.999 -4.638 8.732 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.506 -5.920 7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.516 -4.470 7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.177 -4.320 10.874 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.741 -4.140 10.044 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.545 -5.370 11.315 1.00 0.00 H new ATOM 607 N GLU A 42 -9.686 -6.732 9.608 1.00 0.00 N ATOM 608 CA GLU A 42 -11.113 -6.764 9.311 1.00 0.00 C ATOM 609 C GLU A 42 -11.359 -6.651 7.809 1.00 0.00 C ATOM 610 O GLU A 42 -10.514 -6.177 7.050 1.00 0.00 O ATOM 611 CB GLU A 42 -11.834 -5.630 10.043 1.00 0.00 C ATOM 612 CG GLU A 42 -12.217 -5.975 11.472 1.00 0.00 C ATOM 613 CD GLU A 42 -11.048 -5.867 12.432 1.00 0.00 C ATOM 614 OE1 GLU A 42 -10.685 -4.730 12.800 1.00 0.00 O ATOM 615 OE2 GLU A 42 -10.497 -6.920 12.816 1.00 0.00 O ATOM 0 H GLU A 42 -9.335 -5.819 9.898 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.508 -7.719 9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.193 -4.748 10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.734 -5.365 9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.015 -5.309 11.801 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.615 -6.989 11.503 1.00 0.00 H new ATOM 622 N PRO A 43 -12.545 -7.098 7.369 1.00 0.00 N ATOM 623 CA PRO A 43 -12.930 -7.059 5.955 1.00 0.00 C ATOM 624 C PRO A 43 -13.172 -5.637 5.460 1.00 0.00 C ATOM 625 O PRO A 43 -14.297 -5.140 5.493 1.00 0.00 O ATOM 626 CB PRO A 43 -14.231 -7.866 5.920 1.00 0.00 C ATOM 627 CG PRO A 43 -14.787 -7.749 7.297 1.00 0.00 C ATOM 628 CD PRO A 43 -13.600 -7.676 8.218 1.00 0.00 C ATOM 0 HA PRO A 43 -12.148 -7.456 5.308 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.924 -7.468 5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.044 -8.907 5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.410 -6.860 7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.416 -8.606 7.538 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.804 -7.051 9.087 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.320 -8.661 8.592 1.00 0.00 H new ATOM 636 N GLY A 44 -12.108 -4.987 4.999 1.00 0.00 N ATOM 637 CA GLY A 44 -12.226 -3.628 4.503 1.00 0.00 C ATOM 638 C GLY A 44 -11.257 -2.678 5.178 1.00 0.00 C ATOM 639 O GLY A 44 -10.928 -1.625 4.632 1.00 0.00 O ATOM 0 H GLY A 44 -11.166 -5.377 4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.048 -3.620 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.245 -3.275 4.660 1.00 0.00 H new ATOM 643 N TRP A 45 -10.802 -3.048 6.369 1.00 0.00 N ATOM 644 CA TRP A 45 -9.866 -2.219 7.121 1.00 0.00 C ATOM 645 C TRP A 45 -8.427 -2.655 6.867 1.00 0.00 C ATOM 646 O TRP A 45 -8.166 -3.821 6.573 1.00 0.00 O ATOM 647 CB TRP A 45 -10.177 -2.291 8.617 1.00 0.00 C ATOM 648 CG TRP A 45 -11.426 -1.557 9.000 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.674 -2.089 9.157 1.00 0.00 C ATOM 650 CD2 TRP A 45 -11.548 -0.156 9.271 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.564 -1.104 9.510 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.898 0.091 9.587 1.00 0.00 C ATOM 653 CE3 TRP A 45 -10.648 0.912 9.279 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -13.367 1.362 9.907 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -11.114 2.174 9.596 1.00 0.00 C ATOM 656 CH2 TRP A 45 -12.463 2.390 9.907 1.00 0.00 C ATOM 0 H TRP A 45 -11.065 -3.916 6.835 1.00 0.00 H new ATOM 0 HA TRP A 45 -9.979 -1.189 6.783 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -10.274 -3.336 8.911 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.336 -1.879 9.176 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.924 -3.131 9.023 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -14.559 -1.240 9.686 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.606 0.754 9.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.406 1.531 10.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.427 3.007 9.604 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.796 3.388 10.152 1.00 0.00 H new ATOM 667 N GLN A 46 -7.498 -1.711 6.982 1.00 0.00 N ATOM 668 CA GLN A 46 -6.086 -2.000 6.764 1.00 0.00 C ATOM 669 C GLN A 46 -5.237 -1.461 7.910 1.00 0.00 C ATOM 670 O GLN A 46 -5.633 -0.523 8.602 1.00 0.00 O ATOM 671 CB GLN A 46 -5.619 -1.394 5.439 1.00 0.00 C ATOM 672 CG GLN A 46 -6.078 -2.174 4.218 1.00 0.00 C ATOM 673 CD GLN A 46 -5.328 -3.480 4.044 1.00 0.00 C ATOM 674 OE1 GLN A 46 -5.453 -4.395 4.859 1.00 0.00 O ATOM 675 NE2 GLN A 46 -4.542 -3.574 2.977 1.00 0.00 N ATOM 0 H GLN A 46 -7.698 -0.741 7.225 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.964 -3.082 6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.989 -0.371 5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.530 -1.340 5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.145 -2.381 4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.943 -1.560 3.327 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.468 -2.791 2.327 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.012 -4.429 2.807 1.00 0.00 H new ATOM 684 N PHE A 47 -4.067 -2.061 8.107 1.00 0.00 N ATOM 685 CA PHE A 47 -3.162 -1.642 9.171 1.00 0.00 C ATOM 686 C PHE A 47 -1.802 -1.246 8.604 1.00 0.00 C ATOM 687 O PHE A 47 -1.156 -2.027 7.907 1.00 0.00 O ATOM 688 CB PHE A 47 -2.992 -2.765 10.196 1.00 0.00 C ATOM 689 CG PHE A 47 -2.087 -2.401 11.338 1.00 0.00 C ATOM 690 CD1 PHE A 47 -2.416 -1.365 12.197 1.00 0.00 C ATOM 691 CD2 PHE A 47 -0.908 -3.097 11.553 1.00 0.00 C ATOM 692 CE1 PHE A 47 -1.584 -1.029 13.249 1.00 0.00 C ATOM 693 CE2 PHE A 47 -0.073 -2.765 12.603 1.00 0.00 C ATOM 694 CZ PHE A 47 -0.412 -1.730 13.452 1.00 0.00 C ATOM 0 H PHE A 47 -3.724 -2.839 7.544 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.598 -0.773 9.663 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.971 -3.037 10.591 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.594 -3.647 9.694 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.332 -0.814 12.043 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.639 -3.908 10.893 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.851 -0.219 13.911 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.844 -3.314 12.759 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.239 -1.469 14.274 1.00 0.00 H new ATOM 704 N GLY A 48 -1.374 -0.024 8.907 1.00 0.00 N ATOM 705 CA GLY A 48 -0.094 0.456 8.419 1.00 0.00 C ATOM 706 C GLY A 48 0.301 1.783 9.037 1.00 0.00 C ATOM 707 O GLY A 48 -0.301 2.223 10.016 1.00 0.00 O ATOM 0 H GLY A 48 -1.891 0.642 9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.675 -0.285 8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.138 0.562 7.335 1.00 0.00 H new ATOM 711 N SER A 49 1.317 2.420 8.465 1.00 0.00 N ATOM 712 CA SER A 49 1.796 3.702 8.969 1.00 0.00 C ATOM 713 C SER A 49 1.980 4.700 7.829 1.00 0.00 C ATOM 714 O SER A 49 2.110 4.315 6.668 1.00 0.00 O ATOM 715 CB SER A 49 3.117 3.518 9.719 1.00 0.00 C ATOM 716 OG SER A 49 3.496 4.711 10.384 1.00 0.00 O ATOM 0 H SER A 49 1.825 2.070 7.652 1.00 0.00 H new ATOM 0 HA SER A 49 1.048 4.096 9.657 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.018 2.710 10.444 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.899 3.224 9.019 1.00 0.00 H new ATOM 0 HG SER A 49 2.700 5.144 10.759 1.00 0.00 H new ATOM 722 N ALA A 50 1.989 5.984 8.171 1.00 0.00 N ATOM 723 CA ALA A 50 2.159 7.038 7.178 1.00 0.00 C ATOM 724 C ALA A 50 2.439 8.380 7.844 1.00 0.00 C ATOM 725 O ALA A 50 1.549 8.986 8.440 1.00 0.00 O ATOM 726 CB ALA A 50 0.925 7.132 6.293 1.00 0.00 C ATOM 0 H ALA A 50 1.881 6.320 9.128 1.00 0.00 H new ATOM 0 HA ALA A 50 3.019 6.784 6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.065 7.923 5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.771 6.182 5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.053 7.359 6.907 1.00 0.00 H new ATOM 732 N GLY A 51 3.682 8.840 7.741 1.00 0.00 N ATOM 733 CA GLY A 51 4.056 10.108 8.339 1.00 0.00 C ATOM 734 C GLY A 51 4.839 9.933 9.626 1.00 0.00 C ATOM 735 O GLY A 51 5.875 10.567 9.821 1.00 0.00 O ATOM 0 H GLY A 51 4.437 8.357 7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.653 10.679 7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.157 10.691 8.540 1.00 0.00 H new ATOM 739 N GLY A 52 4.342 9.071 10.507 1.00 0.00 N ATOM 740 CA GLY A 52 5.014 8.831 11.771 1.00 0.00 C ATOM 741 C GLY A 52 4.155 8.050 12.745 1.00 0.00 C ATOM 742 O GLY A 52 4.672 7.378 13.638 1.00 0.00 O ATOM 0 H GLY A 52 3.486 8.534 10.368 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.940 8.285 11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.290 9.785 12.219 1.00 0.00 H new ATOM 746 N ARG A 53 2.840 8.138 12.575 1.00 0.00 N ATOM 747 CA ARG A 53 1.908 7.436 13.448 1.00 0.00 C ATOM 748 C ARG A 53 1.312 6.221 12.743 1.00 0.00 C ATOM 749 O ARG A 53 1.130 6.224 11.526 1.00 0.00 O ATOM 750 CB ARG A 53 0.789 8.377 13.898 1.00 0.00 C ATOM 751 CG ARG A 53 -0.474 7.655 14.340 1.00 0.00 C ATOM 752 CD ARG A 53 -0.264 6.921 15.656 1.00 0.00 C ATOM 753 NE ARG A 53 -0.586 7.760 16.807 1.00 0.00 N ATOM 754 CZ ARG A 53 -0.730 7.290 18.041 1.00 0.00 C ATOM 755 NH1 ARG A 53 -0.581 5.994 18.282 1.00 0.00 N ATOM 756 NH2 ARG A 53 -1.023 8.116 19.037 1.00 0.00 N ATOM 0 H ARG A 53 2.396 8.689 11.840 1.00 0.00 H new ATOM 0 HA ARG A 53 2.459 7.093 14.324 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.152 8.992 14.721 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.543 9.053 13.079 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.286 8.374 14.448 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.777 6.945 13.570 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.885 6.025 15.675 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.773 6.591 15.726 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.707 8.761 16.655 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.355 5.356 17.519 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.692 5.636 19.230 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.138 9.113 18.856 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.133 7.754 19.984 1.00 0.00 H new ATOM 770 N SER A 54 1.011 5.182 13.517 1.00 0.00 N ATOM 771 CA SER A 54 0.441 3.959 12.966 1.00 0.00 C ATOM 772 C SER A 54 -0.981 3.744 13.477 1.00 0.00 C ATOM 773 O SER A 54 -1.287 4.033 14.633 1.00 0.00 O ATOM 774 CB SER A 54 1.313 2.755 13.330 1.00 0.00 C ATOM 775 OG SER A 54 1.530 2.687 14.728 1.00 0.00 O ATOM 0 H SER A 54 1.153 5.164 14.527 1.00 0.00 H new ATOM 0 HA SER A 54 0.408 4.060 11.881 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.833 1.838 12.988 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.270 2.826 12.813 1.00 0.00 H new ATOM 0 HG SER A 54 2.088 1.909 14.935 1.00 0.00 H new ATOM 781 N GLY A 55 -1.846 3.235 12.605 1.00 0.00 N ATOM 782 CA GLY A 55 -3.225 2.990 12.986 1.00 0.00 C ATOM 783 C GLY A 55 -3.982 2.194 11.941 1.00 0.00 C ATOM 784 O GLY A 55 -3.378 1.518 11.107 1.00 0.00 O ATOM 0 H GLY A 55 -1.617 2.988 11.642 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.247 2.453 13.934 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.729 3.943 13.148 1.00 0.00 H new ATOM 788 N LEU A 56 -5.307 2.272 11.986 1.00 0.00 N ATOM 789 CA LEU A 56 -6.149 1.552 11.037 1.00 0.00 C ATOM 790 C LEU A 56 -6.800 2.514 10.048 1.00 0.00 C ATOM 791 O LEU A 56 -7.183 3.627 10.409 1.00 0.00 O ATOM 792 CB LEU A 56 -7.226 0.759 11.779 1.00 0.00 C ATOM 793 CG LEU A 56 -6.787 -0.583 12.365 1.00 0.00 C ATOM 794 CD1 LEU A 56 -7.876 -1.157 13.258 1.00 0.00 C ATOM 795 CD2 LEU A 56 -6.435 -1.561 11.254 1.00 0.00 C ATOM 0 H LEU A 56 -5.822 2.827 12.670 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.517 0.860 10.480 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.611 1.378 12.589 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.054 0.580 11.093 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.897 -0.419 12.972 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.546 -2.112 13.666 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.080 -0.464 14.075 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.784 -1.306 12.674 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.125 -2.511 11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.307 -1.721 10.620 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.621 -1.153 10.655 1.00 0.00 H new ATOM 807 N PHE A 57 -6.925 2.076 8.799 1.00 0.00 N ATOM 808 CA PHE A 57 -7.531 2.897 7.758 1.00 0.00 C ATOM 809 C PHE A 57 -8.246 2.029 6.727 1.00 0.00 C ATOM 810 O PHE A 57 -7.852 0.894 6.454 1.00 0.00 O ATOM 811 CB PHE A 57 -6.466 3.754 7.070 1.00 0.00 C ATOM 812 CG PHE A 57 -5.479 2.953 6.269 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.472 2.240 6.899 1.00 0.00 C ATOM 814 CD2 PHE A 57 -5.557 2.914 4.886 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.562 1.503 6.165 1.00 0.00 C ATOM 816 CE2 PHE A 57 -4.650 2.179 4.147 1.00 0.00 C ATOM 817 CZ PHE A 57 -3.652 1.472 4.787 1.00 0.00 C ATOM 0 H PHE A 57 -6.614 1.157 8.484 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.266 3.551 8.228 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.957 4.472 6.414 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.929 4.328 7.825 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.397 2.260 7.976 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.336 3.465 4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.781 0.952 6.668 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.722 2.158 3.070 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.943 0.896 4.211 1.00 0.00 H new ATOM 827 N PRO A 58 -9.322 2.572 6.141 1.00 0.00 N ATOM 828 CA PRO A 58 -10.116 1.865 5.131 1.00 0.00 C ATOM 829 C PRO A 58 -9.363 1.697 3.816 1.00 0.00 C ATOM 830 O PRO A 58 -8.740 2.636 3.322 1.00 0.00 O ATOM 831 CB PRO A 58 -11.334 2.772 4.938 1.00 0.00 C ATOM 832 CG PRO A 58 -10.860 4.130 5.326 1.00 0.00 C ATOM 833 CD PRO A 58 -9.849 3.919 6.418 1.00 0.00 C ATOM 0 HA PRO A 58 -10.368 0.852 5.446 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.681 2.754 3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.169 2.451 5.561 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.414 4.645 4.475 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.688 4.748 5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.062 4.672 6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.307 3.976 7.406 1.00 0.00 H new ATOM 841 N ALA A 59 -9.424 0.494 3.253 1.00 0.00 N ATOM 842 CA ALA A 59 -8.750 0.204 1.994 1.00 0.00 C ATOM 843 C ALA A 59 -9.623 0.587 0.803 1.00 0.00 C ATOM 844 O ALA A 59 -9.420 0.099 -0.309 1.00 0.00 O ATOM 845 CB ALA A 59 -8.373 -1.268 1.924 1.00 0.00 C ATOM 0 H ALA A 59 -9.934 -0.295 3.650 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.840 0.803 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.870 -1.470 0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.705 -1.512 2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.274 -1.878 1.994 1.00 0.00 H new ATOM 851 N ASP A 60 -10.594 1.460 1.044 1.00 0.00 N ATOM 852 CA ASP A 60 -11.498 1.908 -0.009 1.00 0.00 C ATOM 853 C ASP A 60 -11.093 3.286 -0.523 1.00 0.00 C ATOM 854 O ASP A 60 -11.191 3.567 -1.718 1.00 0.00 O ATOM 855 CB ASP A 60 -12.938 1.946 0.507 1.00 0.00 C ATOM 856 CG ASP A 60 -13.515 0.559 0.712 1.00 0.00 C ATOM 857 OD1 ASP A 60 -13.011 -0.171 1.590 1.00 0.00 O ATOM 858 OD2 ASP A 60 -14.473 0.204 -0.007 1.00 0.00 O ATOM 0 H ASP A 60 -10.776 1.872 1.959 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.434 1.199 -0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.969 2.492 1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.560 2.495 -0.200 1.00 0.00 H new ATOM 863 N ILE A 61 -10.639 4.142 0.387 1.00 0.00 N ATOM 864 CA ILE A 61 -10.220 5.490 0.025 1.00 0.00 C ATOM 865 C ILE A 61 -8.773 5.505 -0.455 1.00 0.00 C ATOM 866 O ILE A 61 -8.223 6.560 -0.772 1.00 0.00 O ATOM 867 CB ILE A 61 -10.366 6.462 1.210 1.00 0.00 C ATOM 868 CG1 ILE A 61 -9.162 6.343 2.147 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.659 6.189 1.964 1.00 0.00 C ATOM 870 CD1 ILE A 61 -9.297 7.163 3.411 1.00 0.00 C ATOM 0 H ILE A 61 -10.552 3.926 1.380 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.873 5.817 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.402 7.480 0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.023 5.296 2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.265 6.657 1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.747 6.884 2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.507 6.320 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.651 5.167 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.408 7.031 4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.405 8.216 3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.175 6.834 3.966 1.00 0.00 H new ATOM 882 N VAL A 62 -8.160 4.326 -0.508 1.00 0.00 N ATOM 883 CA VAL A 62 -6.777 4.203 -0.952 1.00 0.00 C ATOM 884 C VAL A 62 -6.675 3.322 -2.192 1.00 0.00 C ATOM 885 O VAL A 62 -7.628 2.634 -2.556 1.00 0.00 O ATOM 886 CB VAL A 62 -5.882 3.617 0.156 1.00 0.00 C ATOM 887 CG1 VAL A 62 -5.824 4.558 1.350 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.382 2.243 0.573 1.00 0.00 C ATOM 0 H VAL A 62 -8.600 3.443 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.431 5.208 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.872 3.507 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.187 4.127 2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.415 5.519 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.828 4.704 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.738 1.844 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.402 2.326 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.365 1.573 -0.287 1.00 0.00 H new ATOM 898 N GLN A 63 -5.512 3.347 -2.835 1.00 0.00 N ATOM 899 CA GLN A 63 -5.285 2.551 -4.035 1.00 0.00 C ATOM 900 C GLN A 63 -3.868 1.988 -4.055 1.00 0.00 C ATOM 901 O GLN A 63 -2.938 2.563 -3.491 1.00 0.00 O ATOM 902 CB GLN A 63 -5.530 3.395 -5.287 1.00 0.00 C ATOM 903 CG GLN A 63 -4.432 4.410 -5.560 1.00 0.00 C ATOM 904 CD GLN A 63 -4.306 4.753 -7.032 1.00 0.00 C ATOM 905 OE1 GLN A 63 -4.533 6.017 -7.366 1.00 0.00 O flip ATOM 906 NE2 GLN A 63 -4.009 3.890 -7.859 1.00 0.00 N flip ATOM 0 H GLN A 63 -4.712 3.910 -2.545 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.987 1.717 -4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.624 2.734 -6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.480 3.919 -5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.635 5.320 -4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.481 4.017 -5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.843 2.930 -7.557 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.929 4.135 -8.846 1.00 0.00 H new ATOM 915 N PRO A 64 -3.698 0.836 -4.721 1.00 0.00 N ATOM 916 CA PRO A 64 -2.397 0.170 -4.830 1.00 0.00 C ATOM 917 C PRO A 64 -1.425 0.939 -5.718 1.00 0.00 C ATOM 918 O PRO A 64 -1.824 1.545 -6.712 1.00 0.00 O ATOM 919 CB PRO A 64 -2.742 -1.182 -5.461 1.00 0.00 C ATOM 920 CG PRO A 64 -4.008 -0.939 -6.207 1.00 0.00 C ATOM 921 CD PRO A 64 -4.763 0.094 -5.417 1.00 0.00 C ATOM 0 HA PRO A 64 -1.898 0.090 -3.864 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.949 -1.522 -6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.872 -1.952 -4.701 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.804 -0.585 -7.217 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.587 -1.857 -6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.350 0.746 -6.065 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.458 -0.366 -4.714 1.00 0.00 H new ATOM 929 N ALA A 65 -0.147 0.911 -5.353 1.00 0.00 N ATOM 930 CA ALA A 65 0.882 1.604 -6.118 1.00 0.00 C ATOM 931 C ALA A 65 2.183 0.809 -6.133 1.00 0.00 C ATOM 932 O ALA A 65 2.398 -0.064 -5.293 1.00 0.00 O ATOM 933 CB ALA A 65 1.117 2.994 -5.547 1.00 0.00 C ATOM 0 H ALA A 65 0.200 0.415 -4.532 1.00 0.00 H new ATOM 0 HA ALA A 65 0.534 1.700 -7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.888 3.500 -6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.192 3.568 -5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.440 2.911 -4.509 1.00 0.00 H new ATOM 939 N ALA A 66 3.048 1.117 -7.094 1.00 0.00 N ATOM 940 CA ALA A 66 4.329 0.432 -7.218 1.00 0.00 C ATOM 941 C ALA A 66 5.248 0.773 -6.050 1.00 0.00 C ATOM 942 O ALA A 66 5.383 1.937 -5.672 1.00 0.00 O ATOM 943 CB ALA A 66 4.994 0.792 -8.538 1.00 0.00 C ATOM 0 H ALA A 66 2.885 1.837 -7.798 1.00 0.00 H new ATOM 0 HA ALA A 66 4.143 -0.642 -7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.950 0.274 -8.617 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.349 0.492 -9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.161 1.868 -8.580 1.00 0.00 H new ATOM 949 N ALA A 67 5.879 -0.249 -5.482 1.00 0.00 N ATOM 950 CA ALA A 67 6.787 -0.058 -4.358 1.00 0.00 C ATOM 951 C ALA A 67 8.022 0.731 -4.778 1.00 0.00 C ATOM 952 O ALA A 67 8.501 0.625 -5.908 1.00 0.00 O ATOM 953 CB ALA A 67 7.191 -1.402 -3.770 1.00 0.00 C ATOM 0 H ALA A 67 5.778 -1.219 -5.782 1.00 0.00 H new ATOM 0 HA ALA A 67 6.263 0.517 -3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.869 -1.243 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.302 -1.929 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.691 -1.998 -4.534 1.00 0.00 H new ATOM 959 N PRO A 68 8.552 1.542 -3.850 1.00 0.00 N ATOM 960 CA PRO A 68 9.739 2.364 -4.103 1.00 0.00 C ATOM 961 C PRO A 68 11.007 1.527 -4.236 1.00 0.00 C ATOM 962 O PRO A 68 12.100 2.064 -4.415 1.00 0.00 O ATOM 963 CB PRO A 68 9.819 3.261 -2.865 1.00 0.00 C ATOM 964 CG PRO A 68 9.123 2.492 -1.795 1.00 0.00 C ATOM 965 CD PRO A 68 8.034 1.717 -2.483 1.00 0.00 C ATOM 0 HA PRO A 68 9.661 2.913 -5.041 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.854 3.470 -2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.335 4.222 -3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.814 1.823 -1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.709 3.161 -1.040 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.853 0.759 -1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.089 2.260 -2.478 1.00 0.00 H new ATOM 973 N ASP A 69 10.853 0.211 -4.149 1.00 0.00 N ATOM 974 CA ASP A 69 11.985 -0.701 -4.262 1.00 0.00 C ATOM 975 C ASP A 69 12.924 -0.265 -5.383 1.00 0.00 C ATOM 976 O ASP A 69 12.537 -0.227 -6.551 1.00 0.00 O ATOM 977 CB ASP A 69 11.496 -2.128 -4.516 1.00 0.00 C ATOM 978 CG ASP A 69 10.696 -2.246 -5.798 1.00 0.00 C ATOM 979 OD1 ASP A 69 11.315 -2.374 -6.875 1.00 0.00 O ATOM 980 OD2 ASP A 69 9.450 -2.211 -5.724 1.00 0.00 O ATOM 0 H ASP A 69 9.955 -0.249 -4.000 1.00 0.00 H new ATOM 0 HA ASP A 69 12.534 -0.676 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.353 -2.800 -4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.882 -2.453 -3.676 1.00 0.00 H new ATOM 985 N PHE A 70 14.159 0.064 -5.019 1.00 0.00 N ATOM 986 CA PHE A 70 15.153 0.499 -5.994 1.00 0.00 C ATOM 987 C PHE A 70 15.115 -0.381 -7.239 1.00 0.00 C ATOM 988 O PHE A 70 15.134 -1.609 -7.146 1.00 0.00 O ATOM 989 CB PHE A 70 16.552 0.469 -5.376 1.00 0.00 C ATOM 990 CG PHE A 70 16.678 1.307 -4.136 1.00 0.00 C ATOM 991 CD1 PHE A 70 16.357 0.783 -2.894 1.00 0.00 C ATOM 992 CD2 PHE A 70 17.117 2.619 -4.212 1.00 0.00 C ATOM 993 CE1 PHE A 70 16.472 1.552 -1.751 1.00 0.00 C ATOM 994 CE2 PHE A 70 17.234 3.392 -3.073 1.00 0.00 C ATOM 995 CZ PHE A 70 16.911 2.858 -1.841 1.00 0.00 C ATOM 0 H PHE A 70 14.496 0.038 -4.056 1.00 0.00 H new ATOM 0 HA PHE A 70 14.915 1.522 -6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 70 16.812 -0.562 -5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 70 17.274 0.817 -6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 70 16.013 -0.238 -2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.371 3.042 -5.173 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.219 1.132 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 70 17.578 4.413 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.002 3.461 -0.950 1.00 0.00 H new ATOM 1005 N SER A 71 15.061 0.255 -8.405 1.00 0.00 N ATOM 1006 CA SER A 71 15.016 -0.470 -9.670 1.00 0.00 C ATOM 1007 C SER A 71 16.255 -0.173 -10.510 1.00 0.00 C ATOM 1008 O SER A 71 16.905 0.858 -10.336 1.00 0.00 O ATOM 1009 CB SER A 71 13.755 -0.097 -10.451 1.00 0.00 C ATOM 1010 OG SER A 71 13.802 1.252 -10.883 1.00 0.00 O ATOM 0 H SER A 71 15.047 1.270 -8.500 1.00 0.00 H new ATOM 0 HA SER A 71 14.995 -1.537 -9.449 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.650 -0.755 -11.314 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.877 -0.251 -9.824 1.00 0.00 H new ATOM 0 HG SER A 71 12.985 1.465 -11.381 1.00 0.00 H new ATOM 1016 N PHE A 72 16.575 -1.085 -11.422 1.00 0.00 N ATOM 1017 CA PHE A 72 17.736 -0.923 -12.290 1.00 0.00 C ATOM 1018 C PHE A 72 17.934 0.543 -12.667 1.00 0.00 C ATOM 1019 O PHE A 72 19.035 1.081 -12.553 1.00 0.00 O ATOM 1020 CB PHE A 72 17.576 -1.769 -13.555 1.00 0.00 C ATOM 1021 CG PHE A 72 17.124 -3.175 -13.282 1.00 0.00 C ATOM 1022 CD1 PHE A 72 17.877 -4.015 -12.477 1.00 0.00 C ATOM 1023 CD2 PHE A 72 15.947 -3.658 -13.831 1.00 0.00 C ATOM 1024 CE1 PHE A 72 17.464 -5.310 -12.224 1.00 0.00 C ATOM 1025 CE2 PHE A 72 15.529 -4.951 -13.581 1.00 0.00 C ATOM 1026 CZ PHE A 72 16.289 -5.778 -12.777 1.00 0.00 C ATOM 0 H PHE A 72 16.047 -1.943 -11.579 1.00 0.00 H new ATOM 0 HA PHE A 72 18.616 -1.261 -11.743 1.00 0.00 H new ATOM 0 HB2 PHE A 72 16.857 -1.287 -14.217 1.00 0.00 H new ATOM 0 HB3 PHE A 72 18.528 -1.798 -14.086 1.00 0.00 H new ATOM 0 HD1 PHE A 72 18.797 -3.654 -12.042 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.349 -3.016 -14.462 1.00 0.00 H new ATOM 0 HE1 PHE A 72 18.060 -5.954 -11.595 1.00 0.00 H new ATOM 0 HE2 PHE A 72 14.609 -5.315 -14.014 1.00 0.00 H new ATOM 0 HZ PHE A 72 15.964 -6.789 -12.581 1.00 0.00 H new ATOM 1036 N SER A 73 16.858 1.182 -13.116 1.00 0.00 N ATOM 1037 CA SER A 73 16.913 2.583 -13.514 1.00 0.00 C ATOM 1038 C SER A 73 18.254 2.912 -14.165 1.00 0.00 C ATOM 1039 O SER A 73 18.953 3.834 -13.744 1.00 0.00 O ATOM 1040 CB SER A 73 16.686 3.489 -12.302 1.00 0.00 C ATOM 1041 OG SER A 73 16.435 4.825 -12.703 1.00 0.00 O ATOM 0 H SER A 73 15.938 0.752 -13.213 1.00 0.00 H new ATOM 0 HA SER A 73 16.122 2.758 -14.243 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.844 3.117 -11.719 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.561 3.459 -11.653 1.00 0.00 H new ATOM 0 HG SER A 73 17.212 5.172 -13.190 1.00 0.00 H new ATOM 1047 N LYS A 74 18.607 2.149 -15.194 1.00 0.00 N ATOM 1048 CA LYS A 74 19.863 2.357 -15.905 1.00 0.00 C ATOM 1049 C LYS A 74 20.052 3.830 -16.256 1.00 0.00 C ATOM 1050 O LYS A 74 19.096 4.520 -16.609 1.00 0.00 O ATOM 1051 CB LYS A 74 19.897 1.510 -17.180 1.00 0.00 C ATOM 1052 CG LYS A 74 18.806 1.864 -18.175 1.00 0.00 C ATOM 1053 CD LYS A 74 17.519 1.111 -17.883 1.00 0.00 C ATOM 1054 CE LYS A 74 16.636 1.016 -19.117 1.00 0.00 C ATOM 1055 NZ LYS A 74 15.872 2.273 -19.350 1.00 0.00 N ATOM 0 H LYS A 74 18.041 1.381 -15.554 1.00 0.00 H new ATOM 0 HA LYS A 74 20.678 2.050 -15.250 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.868 1.631 -17.660 1.00 0.00 H new ATOM 0 HB3 LYS A 74 19.803 0.458 -16.910 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.616 2.937 -18.142 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.144 1.631 -19.185 1.00 0.00 H new ATOM 0 HD2 LYS A 74 17.756 0.109 -17.526 1.00 0.00 H new ATOM 0 HD3 LYS A 74 16.975 1.614 -17.083 1.00 0.00 H new ATOM 0 HE2 LYS A 74 17.253 0.799 -19.989 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.941 0.184 -19.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.282 2.168 -20.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.264 2.467 -18.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.535 3.063 -19.484 1.00 0.00 H new ATOM 1069 N GLU A 75 21.290 4.303 -16.158 1.00 0.00 N ATOM 1070 CA GLU A 75 21.603 5.693 -16.466 1.00 0.00 C ATOM 1071 C GLU A 75 21.841 5.879 -17.962 1.00 0.00 C ATOM 1072 O GLU A 75 22.779 5.317 -18.525 1.00 0.00 O ATOM 1073 CB GLU A 75 22.836 6.147 -15.682 1.00 0.00 C ATOM 1074 CG GLU A 75 22.601 6.254 -14.185 1.00 0.00 C ATOM 1075 CD GLU A 75 23.773 6.876 -13.452 1.00 0.00 C ATOM 1076 OE1 GLU A 75 24.231 7.958 -13.878 1.00 0.00 O ATOM 1077 OE2 GLU A 75 24.234 6.282 -12.455 1.00 0.00 O ATOM 0 H GLU A 75 22.092 3.744 -15.868 1.00 0.00 H new ATOM 0 HA GLU A 75 20.749 6.304 -16.173 1.00 0.00 H new ATOM 0 HB2 GLU A 75 23.650 5.446 -15.864 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.160 7.117 -16.060 1.00 0.00 H new ATOM 0 HG2 GLU A 75 21.707 6.850 -14.003 1.00 0.00 H new ATOM 0 HG3 GLU A 75 22.410 5.260 -13.779 1.00 0.00 H new ATOM 1084 N GLN A 76 20.983 6.671 -18.597 1.00 0.00 N ATOM 1085 CA GLN A 76 21.099 6.930 -20.028 1.00 0.00 C ATOM 1086 C GLN A 76 22.534 7.286 -20.402 1.00 0.00 C ATOM 1087 O GLN A 76 22.945 8.442 -20.297 1.00 0.00 O ATOM 1088 CB GLN A 76 20.156 8.061 -20.440 1.00 0.00 C ATOM 1089 CG GLN A 76 20.379 9.352 -19.668 1.00 0.00 C ATOM 1090 CD GLN A 76 19.174 10.271 -19.707 1.00 0.00 C ATOM 1091 OE1 GLN A 76 18.837 10.827 -20.753 1.00 0.00 O ATOM 1092 NE2 GLN A 76 18.518 10.436 -18.565 1.00 0.00 N ATOM 0 H GLN A 76 20.201 7.144 -18.144 1.00 0.00 H new ATOM 0 HA GLN A 76 20.819 6.021 -20.561 1.00 0.00 H new ATOM 0 HB2 GLN A 76 20.282 8.258 -21.505 1.00 0.00 H new ATOM 0 HB3 GLN A 76 19.126 7.735 -20.296 1.00 0.00 H new ATOM 0 HG2 GLN A 76 20.616 9.114 -18.631 1.00 0.00 H new ATOM 0 HG3 GLN A 76 21.242 9.873 -20.081 1.00 0.00 H new ATOM 0 HE21 GLN A 76 18.833 9.955 -17.722 1.00 0.00 H new ATOM 0 HE22 GLN A 76 17.699 11.043 -18.530 1.00 0.00 H new ATOM 1101 N ARG A 77 23.292 6.285 -20.838 1.00 0.00 N ATOM 1102 CA ARG A 77 24.682 6.493 -21.226 1.00 0.00 C ATOM 1103 C ARG A 77 24.778 6.953 -22.678 1.00 0.00 C ATOM 1104 O ARG A 77 24.856 6.135 -23.595 1.00 0.00 O ATOM 1105 CB ARG A 77 25.485 5.205 -21.034 1.00 0.00 C ATOM 1106 CG ARG A 77 25.571 4.750 -19.586 1.00 0.00 C ATOM 1107 CD ARG A 77 26.844 3.961 -19.324 1.00 0.00 C ATOM 1108 NE ARG A 77 28.010 4.830 -19.197 1.00 0.00 N ATOM 1109 CZ ARG A 77 29.256 4.425 -19.419 1.00 0.00 C ATOM 1110 NH1 ARG A 77 29.495 3.171 -19.776 1.00 0.00 N ATOM 1111 NH2 ARG A 77 30.266 5.275 -19.283 1.00 0.00 N ATOM 0 H ARG A 77 22.967 5.323 -20.931 1.00 0.00 H new ATOM 0 HA ARG A 77 25.099 7.272 -20.588 1.00 0.00 H new ATOM 0 HB2 ARG A 77 25.031 4.412 -21.629 1.00 0.00 H new ATOM 0 HB3 ARG A 77 26.494 5.355 -21.419 1.00 0.00 H new ATOM 0 HG2 ARG A 77 25.538 5.618 -18.928 1.00 0.00 H new ATOM 0 HG3 ARG A 77 24.704 4.135 -19.345 1.00 0.00 H new ATOM 0 HD2 ARG A 77 26.727 3.376 -18.412 1.00 0.00 H new ATOM 0 HD3 ARG A 77 27.006 3.254 -20.137 1.00 0.00 H new ATOM 0 HE ARG A 77 27.860 5.801 -18.923 1.00 0.00 H new ATOM 0 HH11 ARG A 77 28.722 2.514 -19.881 1.00 0.00 H new ATOM 0 HH12 ARG A 77 30.452 2.863 -19.946 1.00 0.00 H new ATOM 0 HH21 ARG A 77 30.086 6.241 -19.008 1.00 0.00 H new ATOM 0 HH22 ARG A 77 31.222 4.963 -19.454 1.00 0.00 H new ATOM 1125 N SER A 78 24.772 8.267 -22.878 1.00 0.00 N ATOM 1126 CA SER A 78 24.854 8.836 -24.218 1.00 0.00 C ATOM 1127 C SER A 78 26.018 9.816 -24.322 1.00 0.00 C ATOM 1128 O SER A 78 26.524 10.306 -23.313 1.00 0.00 O ATOM 1129 CB SER A 78 23.545 9.542 -24.577 1.00 0.00 C ATOM 1130 OG SER A 78 22.447 8.649 -24.504 1.00 0.00 O ATOM 0 H SER A 78 24.711 8.957 -22.129 1.00 0.00 H new ATOM 0 HA SER A 78 25.024 8.021 -24.922 1.00 0.00 H new ATOM 0 HB2 SER A 78 23.382 10.380 -23.899 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.615 9.955 -25.583 1.00 0.00 H new ATOM 0 HG SER A 78 21.622 9.125 -24.736 1.00 0.00 H new ATOM 1136 N GLY A 79 26.439 10.098 -25.551 1.00 0.00 N ATOM 1137 CA GLY A 79 27.540 11.018 -25.766 1.00 0.00 C ATOM 1138 C GLY A 79 27.531 12.173 -24.784 1.00 0.00 C ATOM 1139 O GLY A 79 26.746 13.110 -24.925 1.00 0.00 O ATOM 0 H GLY A 79 26.037 9.705 -26.402 1.00 0.00 H new ATOM 0 HA2 GLY A 79 28.483 10.478 -25.678 1.00 0.00 H new ATOM 0 HA3 GLY A 79 27.490 11.409 -26.782 1.00 0.00 H new ATOM 1143 N SER A 80 28.405 12.105 -23.785 1.00 0.00 N ATOM 1144 CA SER A 80 28.491 13.151 -22.772 1.00 0.00 C ATOM 1145 C SER A 80 29.407 14.280 -23.232 1.00 0.00 C ATOM 1146 O SER A 80 30.523 14.041 -23.692 1.00 0.00 O ATOM 1147 CB SER A 80 29.002 12.570 -21.451 1.00 0.00 C ATOM 1148 OG SER A 80 30.393 12.310 -21.513 1.00 0.00 O ATOM 0 H SER A 80 29.063 11.337 -23.655 1.00 0.00 H new ATOM 0 HA SER A 80 27.491 13.558 -22.620 1.00 0.00 H new ATOM 0 HB2 SER A 80 28.795 13.267 -20.639 1.00 0.00 H new ATOM 0 HB3 SER A 80 28.466 11.648 -21.224 1.00 0.00 H new ATOM 0 HG SER A 80 30.780 12.779 -22.282 1.00 0.00 H new ATOM 1154 N GLY A 81 28.927 15.513 -23.105 1.00 0.00 N ATOM 1155 CA GLY A 81 29.714 16.662 -23.512 1.00 0.00 C ATOM 1156 C GLY A 81 30.929 16.874 -22.631 1.00 0.00 C ATOM 1157 O GLY A 81 31.079 16.246 -21.583 1.00 0.00 O ATOM 0 H GLY A 81 28.006 15.737 -22.727 1.00 0.00 H new ATOM 0 HA2 GLY A 81 30.037 16.530 -24.545 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.089 17.555 -23.485 1.00 0.00 H new ATOM 1161 N PRO A 82 31.824 17.778 -23.057 1.00 0.00 N ATOM 1162 CA PRO A 82 33.048 18.091 -22.314 1.00 0.00 C ATOM 1163 C PRO A 82 32.763 18.841 -21.017 1.00 0.00 C ATOM 1164 O PRO A 82 31.951 19.765 -20.989 1.00 0.00 O ATOM 1165 CB PRO A 82 33.834 18.978 -23.283 1.00 0.00 C ATOM 1166 CG PRO A 82 32.798 19.592 -24.160 1.00 0.00 C ATOM 1167 CD PRO A 82 31.709 18.563 -24.298 1.00 0.00 C ATOM 0 HA PRO A 82 33.582 17.191 -22.010 1.00 0.00 H new ATOM 0 HB2 PRO A 82 34.403 19.739 -22.750 1.00 0.00 H new ATOM 0 HB3 PRO A 82 34.548 18.394 -23.863 1.00 0.00 H new ATOM 0 HG2 PRO A 82 32.412 20.513 -23.722 1.00 0.00 H new ATOM 0 HG3 PRO A 82 33.215 19.852 -25.133 1.00 0.00 H new ATOM 0 HD2 PRO A 82 30.727 19.027 -24.391 1.00 0.00 H new ATOM 0 HD3 PRO A 82 31.853 17.941 -25.182 1.00 0.00 H new ATOM 1175 N SER A 83 33.437 18.436 -19.945 1.00 0.00 N ATOM 1176 CA SER A 83 33.253 19.068 -18.644 1.00 0.00 C ATOM 1177 C SER A 83 34.317 20.134 -18.403 1.00 0.00 C ATOM 1178 O SER A 83 35.325 20.192 -19.108 1.00 0.00 O ATOM 1179 CB SER A 83 33.305 18.018 -17.532 1.00 0.00 C ATOM 1180 OG SER A 83 32.287 17.047 -17.699 1.00 0.00 O ATOM 0 H SER A 83 34.115 17.674 -19.952 1.00 0.00 H new ATOM 0 HA SER A 83 32.274 19.548 -18.635 1.00 0.00 H new ATOM 0 HB2 SER A 83 34.280 17.531 -17.533 1.00 0.00 H new ATOM 0 HB3 SER A 83 33.193 18.504 -16.563 1.00 0.00 H new ATOM 0 HG SER A 83 32.343 16.387 -16.977 1.00 0.00 H new ATOM 1186 N SER A 84 34.086 20.977 -17.401 1.00 0.00 N ATOM 1187 CA SER A 84 35.022 22.044 -17.068 1.00 0.00 C ATOM 1188 C SER A 84 36.401 21.477 -16.746 1.00 0.00 C ATOM 1189 O SER A 84 36.549 20.281 -16.495 1.00 0.00 O ATOM 1190 CB SER A 84 34.501 22.855 -15.880 1.00 0.00 C ATOM 1191 OG SER A 84 34.272 22.023 -14.756 1.00 0.00 O ATOM 0 H SER A 84 33.258 20.941 -16.806 1.00 0.00 H new ATOM 0 HA SER A 84 35.112 22.699 -17.935 1.00 0.00 H new ATOM 0 HB2 SER A 84 35.222 23.631 -15.621 1.00 0.00 H new ATOM 0 HB3 SER A 84 33.575 23.359 -16.158 1.00 0.00 H new ATOM 0 HG SER A 84 33.941 22.565 -14.010 1.00 0.00 H new ATOM 1197 N GLY A 85 37.408 22.344 -16.755 1.00 0.00 N ATOM 1198 CA GLY A 85 38.762 21.912 -16.463 1.00 0.00 C ATOM 1199 C GLY A 85 39.355 22.632 -15.268 1.00 0.00 C ATOM 1200 O GLY A 85 39.706 23.808 -15.355 1.00 0.00 O ATOM 0 H GLY A 85 37.310 23.339 -16.959 1.00 0.00 H new ATOM 0 HA2 GLY A 85 38.765 20.838 -16.275 1.00 0.00 H new ATOM 0 HA3 GLY A 85 39.391 22.084 -17.336 1.00 0.00 H new TER 1204 GLY A 85