USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 836 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 52 ASN : amide:sc= -4.32 K(o=-5.5,f=-8.6!) USER MOD Set 1.2: A 55 SER OG : rot 159:sc= -1.18 USER MOD Set 2.1: A 7 SER OG : rot 9:sc= 1.33 USER MOD Set 2.2: A 21 SER OG : rot -80:sc= 1.73 USER MOD Set 3.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 69 THR OG1 : rot 75:sc= 0.519 USER MOD Set 3.3: A 82 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0.27) USER MOD Set 3.4: A 84 ASN : amide:sc= -0.245 K(o=0.27,f=-4.7!) USER MOD Single : A 1 GLN : amide:sc=-0.00585 X(o=-0.0059,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.796 K(o=-0.8,f=-1.9) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 140:sc= 1.34 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -100:sc= -2.19 USER MOD Single : A 34 MET CE :methyl -138:sc= -0.717 (180deg=-3.96!) USER MOD Single : A 39 GLN : amide:sc= -0.483 K(o=-0.48,f=-2.9) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 62:sc= 1.47 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0508 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -107:sc= 0.245 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 0:sc= -1.45 USER MOD Single : A 83 MET CE :methyl -171:sc= -11.5! (180deg=-12.6!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00124) USER MOD Single : A 91 THR OG1 : rot -163:sc= 0.105 USER MOD Single : A 94 TYR OH : rot 139:sc= 0.675 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0.0238 X(o=0.024,f=-0.0053) USER MOD Single : A 111 THR OG1 : rot 120:sc= -0.0408 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.378 F(o=-2.4,f=-0.38) USER MOD Single : A 114 THR OG1 : rot -160:sc= 0 USER MOD Single : A 116 SER OG : rot 46:sc= 1.13 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 15.353 13.455 2.620 1.00 0.00 N ATOM 2 CA GLN A 1 14.897 13.729 1.232 1.00 0.00 C ATOM 3 C GLN A 1 14.116 12.546 0.666 1.00 0.00 C ATOM 4 O GLN A 1 14.377 12.090 -0.448 1.00 0.00 O ATOM 5 CB GLN A 1 16.126 14.024 0.366 1.00 0.00 C ATOM 6 CG GLN A 1 16.356 15.507 0.124 1.00 0.00 C ATOM 7 CD GLN A 1 15.379 16.092 -0.877 1.00 0.00 C ATOM 8 OE1 GLN A 1 14.535 16.917 -0.528 1.00 0.00 O ATOM 9 NE2 GLN A 1 15.488 15.665 -2.129 1.00 0.00 N ATOM 0 H1 GLN A 1 15.881 14.275 2.980 1.00 0.00 H new ATOM 0 H2 GLN A 1 14.528 13.280 3.228 1.00 0.00 H new ATOM 0 H3 GLN A 1 15.970 12.618 2.624 1.00 0.00 H new ATOM 0 HA GLN A 1 14.227 14.589 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 1 17.009 13.601 0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 1 16.013 13.521 -0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 1 16.268 16.044 1.069 1.00 0.00 H new ATOM 0 HG3 GLN A 1 17.374 15.659 -0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 1 16.203 14.980 -2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 1 14.857 16.022 -2.846 1.00 0.00 H new ATOM 20 N VAL A 2 13.154 12.055 1.440 1.00 0.00 N ATOM 21 CA VAL A 2 12.333 10.928 1.017 1.00 0.00 C ATOM 22 C VAL A 2 10.892 11.366 0.776 1.00 0.00 C ATOM 23 O VAL A 2 10.431 12.357 1.342 1.00 0.00 O ATOM 24 CB VAL A 2 12.346 9.782 2.055 1.00 0.00 C ATOM 25 CG1 VAL A 2 13.154 8.601 1.540 1.00 0.00 C ATOM 26 CG2 VAL A 2 12.888 10.258 3.397 1.00 0.00 C ATOM 0 H VAL A 2 12.924 12.421 2.364 1.00 0.00 H new ATOM 0 HA VAL A 2 12.765 10.558 0.087 1.00 0.00 H new ATOM 0 HB VAL A 2 11.316 9.457 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 2 13.151 7.805 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.711 8.233 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 2 14.180 8.917 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.884 9.430 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 2 13.908 10.622 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.260 11.064 3.778 1.00 0.00 H new ATOM 36 N GLN A 3 10.186 10.619 -0.066 1.00 0.00 N ATOM 37 CA GLN A 3 8.796 10.930 -0.384 1.00 0.00 C ATOM 38 C GLN A 3 8.068 9.696 -0.907 1.00 0.00 C ATOM 39 O GLN A 3 8.682 8.656 -1.145 1.00 0.00 O ATOM 40 CB GLN A 3 8.727 12.052 -1.422 1.00 0.00 C ATOM 41 CG GLN A 3 8.957 13.438 -0.840 1.00 0.00 C ATOM 42 CD GLN A 3 8.045 13.737 0.334 1.00 0.00 C ATOM 43 OE1 GLN A 3 6.955 13.176 0.447 1.00 0.00 O ATOM 44 NE2 GLN A 3 8.488 14.627 1.215 1.00 0.00 N ATOM 0 H GLN A 3 10.553 9.794 -0.541 1.00 0.00 H new ATOM 0 HA GLN A 3 8.306 11.259 0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.471 11.865 -2.196 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.750 12.028 -1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.995 13.526 -0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.799 14.185 -1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 3 9.398 15.067 1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.918 14.870 2.025 1.00 0.00 H new ATOM 53 N LEU A 4 6.757 9.820 -1.085 1.00 0.00 N ATOM 54 CA LEU A 4 5.944 8.716 -1.583 1.00 0.00 C ATOM 55 C LEU A 4 4.696 9.236 -2.289 1.00 0.00 C ATOM 56 O LEU A 4 4.166 10.290 -1.937 1.00 0.00 O ATOM 57 CB LEU A 4 5.545 7.789 -0.433 1.00 0.00 C ATOM 58 CG LEU A 4 6.685 6.950 0.149 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.296 7.644 1.357 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.187 5.561 0.524 1.00 0.00 C ATOM 0 H LEU A 4 6.234 10.674 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 4 6.540 8.154 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.113 8.392 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.762 7.117 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 4 7.458 6.844 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.105 7.033 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.689 8.616 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.532 7.782 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.011 4.978 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.395 5.647 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.798 5.062 -0.364 1.00 0.00 H new ATOM 72 N GLN A 5 4.232 8.491 -3.286 1.00 0.00 N ATOM 73 CA GLN A 5 3.046 8.878 -4.042 1.00 0.00 C ATOM 74 C GLN A 5 2.322 7.651 -4.587 1.00 0.00 C ATOM 75 O GLN A 5 2.864 6.547 -4.584 1.00 0.00 O ATOM 76 CB GLN A 5 3.429 9.811 -5.191 1.00 0.00 C ATOM 77 CG GLN A 5 4.647 9.345 -5.973 1.00 0.00 C ATOM 78 CD GLN A 5 5.723 10.410 -6.071 1.00 0.00 C ATOM 79 OE1 GLN A 5 6.782 10.297 -5.454 1.00 0.00 O ATOM 80 NE2 GLN A 5 5.455 11.452 -6.848 1.00 0.00 N ATOM 0 H GLN A 5 4.659 7.616 -3.590 1.00 0.00 H new ATOM 0 HA GLN A 5 2.372 9.404 -3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.583 9.901 -5.872 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.623 10.806 -4.791 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.062 8.458 -5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.339 9.052 -6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.564 11.505 -7.341 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.140 12.200 -6.952 1.00 0.00 H new ATOM 89 N GLU A 6 1.094 7.854 -5.054 1.00 0.00 N ATOM 90 CA GLU A 6 0.293 6.763 -5.604 1.00 0.00 C ATOM 91 C GLU A 6 -0.182 7.098 -7.015 1.00 0.00 C ATOM 92 O GLU A 6 -0.165 8.258 -7.427 1.00 0.00 O ATOM 93 CB GLU A 6 -0.919 6.467 -4.706 1.00 0.00 C ATOM 94 CG GLU A 6 -0.951 7.273 -3.415 1.00 0.00 C ATOM 95 CD GLU A 6 0.047 6.773 -2.389 1.00 0.00 C ATOM 96 OE1 GLU A 6 -0.171 5.675 -1.835 1.00 0.00 O ATOM 97 OE2 GLU A 6 1.045 7.480 -2.138 1.00 0.00 O ATOM 0 H GLU A 6 0.631 8.763 -5.063 1.00 0.00 H new ATOM 0 HA GLU A 6 0.925 5.876 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.831 6.667 -5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.923 5.405 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.742 8.319 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.954 7.232 -2.990 1.00 0.00 H new ATOM 104 N SER A 7 -0.607 6.076 -7.752 1.00 0.00 N ATOM 105 CA SER A 7 -1.089 6.268 -9.114 1.00 0.00 C ATOM 106 C SER A 7 -1.741 4.996 -9.648 1.00 0.00 C ATOM 107 O SER A 7 -1.094 3.954 -9.759 1.00 0.00 O ATOM 108 CB SER A 7 0.062 6.690 -10.030 1.00 0.00 C ATOM 109 OG SER A 7 1.061 5.688 -10.091 1.00 0.00 O ATOM 0 H SER A 7 -0.627 5.109 -7.429 1.00 0.00 H new ATOM 0 HA SER A 7 -1.840 7.058 -9.098 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.320 6.888 -11.031 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.498 7.620 -9.666 1.00 0.00 H new ATOM 0 HG SER A 7 0.739 4.877 -9.645 1.00 0.00 H new ATOM 115 N GLY A 8 -3.025 5.088 -9.977 1.00 0.00 N ATOM 116 CA GLY A 8 -3.742 3.938 -10.496 1.00 0.00 C ATOM 117 C GLY A 8 -5.039 3.677 -9.755 1.00 0.00 C ATOM 118 O GLY A 8 -5.982 3.122 -10.319 1.00 0.00 O ATOM 0 H GLY A 8 -3.582 5.938 -9.894 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.957 4.095 -11.553 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.105 3.056 -10.428 1.00 0.00 H new ATOM 122 N GLY A 9 -5.087 4.077 -8.488 1.00 0.00 N ATOM 123 CA GLY A 9 -6.274 3.875 -7.688 1.00 0.00 C ATOM 124 C GLY A 9 -7.521 4.435 -8.340 1.00 0.00 C ATOM 125 O GLY A 9 -7.464 4.996 -9.434 1.00 0.00 O ATOM 0 H GLY A 9 -4.319 4.540 -8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.410 2.808 -7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.135 4.345 -6.715 1.00 0.00 H new ATOM 129 N GLY A 10 -8.649 4.281 -7.661 1.00 0.00 N ATOM 130 CA GLY A 10 -9.906 4.773 -8.182 1.00 0.00 C ATOM 131 C GLY A 10 -11.086 3.959 -7.699 1.00 0.00 C ATOM 132 O GLY A 10 -10.923 2.980 -6.971 1.00 0.00 O ATOM 0 H GLY A 10 -8.715 3.821 -6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.038 5.813 -7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.877 4.755 -9.271 1.00 0.00 H new ATOM 136 N LEU A 11 -12.276 4.376 -8.100 1.00 0.00 N ATOM 137 CA LEU A 11 -13.499 3.702 -7.709 1.00 0.00 C ATOM 138 C LEU A 11 -13.608 2.332 -8.360 1.00 0.00 C ATOM 139 O LEU A 11 -13.506 2.198 -9.580 1.00 0.00 O ATOM 140 CB LEU A 11 -14.702 4.558 -8.083 1.00 0.00 C ATOM 141 CG LEU A 11 -14.643 5.968 -7.513 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.477 6.994 -8.625 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.881 6.270 -6.681 1.00 0.00 C ATOM 0 H LEU A 11 -12.419 5.187 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.478 3.558 -6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.773 4.616 -9.169 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.610 4.069 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.773 6.031 -6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.437 7.994 -8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.553 6.796 -9.168 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.322 6.928 -9.310 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.815 7.283 -6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.770 6.182 -7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.946 5.561 -5.855 1.00 0.00 H new ATOM 155 N VAL A 12 -13.808 1.314 -7.533 1.00 0.00 N ATOM 156 CA VAL A 12 -13.921 -0.052 -8.015 1.00 0.00 C ATOM 157 C VAL A 12 -15.197 -0.720 -7.515 1.00 0.00 C ATOM 158 O VAL A 12 -15.597 -0.541 -6.365 1.00 0.00 O ATOM 159 CB VAL A 12 -12.714 -0.887 -7.574 1.00 0.00 C ATOM 160 CG1 VAL A 12 -11.439 -0.366 -8.221 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.592 -0.898 -6.056 1.00 0.00 C ATOM 0 H VAL A 12 -13.895 1.412 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.954 -0.003 -9.103 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.866 -1.914 -7.905 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.593 -0.971 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.531 -0.424 -9.306 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.278 0.671 -7.925 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.729 -1.496 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.465 0.122 -5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.495 -1.328 -5.622 1.00 0.00 H new ATOM 171 N GLN A 13 -15.829 -1.497 -8.389 1.00 0.00 N ATOM 172 CA GLN A 13 -17.055 -2.200 -8.043 1.00 0.00 C ATOM 173 C GLN A 13 -16.776 -3.327 -7.053 1.00 0.00 C ATOM 174 O GLN A 13 -15.784 -4.045 -7.180 1.00 0.00 O ATOM 175 CB GLN A 13 -17.710 -2.756 -9.299 1.00 0.00 C ATOM 176 CG GLN A 13 -18.768 -1.841 -9.892 1.00 0.00 C ATOM 177 CD GLN A 13 -20.140 -2.068 -9.290 1.00 0.00 C ATOM 178 OE1 GLN A 13 -20.653 -1.229 -8.549 1.00 0.00 O ATOM 179 NE2 GLN A 13 -20.743 -3.208 -9.605 1.00 0.00 N ATOM 0 H GLN A 13 -15.509 -1.655 -9.345 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.734 -1.491 -7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.940 -2.940 -10.048 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.164 -3.719 -9.065 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -18.474 -0.803 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -18.817 -1.999 -10.969 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -20.281 -3.875 -10.223 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -21.668 -3.417 -9.229 1.00 0.00 H new ATOM 188 N ALA A 14 -17.653 -3.474 -6.065 1.00 0.00 N ATOM 189 CA ALA A 14 -17.502 -4.509 -5.051 1.00 0.00 C ATOM 190 C ALA A 14 -17.332 -5.887 -5.683 1.00 0.00 C ATOM 191 O ALA A 14 -18.151 -6.314 -6.496 1.00 0.00 O ATOM 192 CB ALA A 14 -18.697 -4.502 -4.110 1.00 0.00 C ATOM 0 H ALA A 14 -18.478 -2.887 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.599 -4.291 -4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.572 -5.280 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.769 -3.531 -3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.608 -4.690 -4.678 1.00 0.00 H new ATOM 198 N GLY A 15 -16.263 -6.579 -5.301 1.00 0.00 N ATOM 199 CA GLY A 15 -16.004 -7.902 -5.837 1.00 0.00 C ATOM 200 C GLY A 15 -15.101 -7.873 -7.055 1.00 0.00 C ATOM 201 O GLY A 15 -15.065 -8.829 -7.831 1.00 0.00 O ATOM 0 H GLY A 15 -15.571 -6.246 -4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.546 -8.519 -5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.950 -8.374 -6.102 1.00 0.00 H new ATOM 205 N GLY A 16 -14.369 -6.776 -7.225 1.00 0.00 N ATOM 206 CA GLY A 16 -13.473 -6.653 -8.360 1.00 0.00 C ATOM 207 C GLY A 16 -12.015 -6.626 -7.945 1.00 0.00 C ATOM 208 O GLY A 16 -11.659 -7.117 -6.874 1.00 0.00 O ATOM 0 H GLY A 16 -14.380 -5.972 -6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.638 -7.487 -9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.709 -5.741 -8.908 1.00 0.00 H new ATOM 212 N SER A 17 -11.171 -6.049 -8.794 1.00 0.00 N ATOM 213 CA SER A 17 -9.745 -5.959 -8.509 1.00 0.00 C ATOM 214 C SER A 17 -9.192 -4.598 -8.904 1.00 0.00 C ATOM 215 O SER A 17 -9.527 -4.061 -9.960 1.00 0.00 O ATOM 216 CB SER A 17 -8.983 -7.058 -9.240 1.00 0.00 C ATOM 217 OG SER A 17 -7.690 -7.238 -8.687 1.00 0.00 O ATOM 0 H SER A 17 -11.450 -5.637 -9.684 1.00 0.00 H new ATOM 0 HA SER A 17 -9.613 -6.087 -7.435 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.541 -7.993 -9.180 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.898 -6.805 -10.297 1.00 0.00 H new ATOM 0 HG SER A 17 -7.223 -7.950 -9.173 1.00 0.00 H new ATOM 223 N LEU A 18 -8.340 -4.046 -8.049 1.00 0.00 N ATOM 224 CA LEU A 18 -7.735 -2.750 -8.303 1.00 0.00 C ATOM 225 C LEU A 18 -6.242 -2.785 -7.993 1.00 0.00 C ATOM 226 O LEU A 18 -5.826 -3.295 -6.952 1.00 0.00 O ATOM 227 CB LEU A 18 -8.423 -1.678 -7.465 1.00 0.00 C ATOM 228 CG LEU A 18 -7.940 -0.259 -7.733 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.620 0.316 -8.967 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.186 0.628 -6.521 1.00 0.00 C ATOM 0 H LEU A 18 -8.053 -4.480 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.861 -2.509 -9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.496 -1.724 -7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.271 -1.907 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.867 -0.292 -7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.261 1.330 -9.141 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.388 -0.304 -9.833 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.699 0.334 -8.813 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.834 1.638 -6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.253 0.654 -6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.647 0.228 -5.662 1.00 0.00 H new ATOM 242 N ARG A 19 -5.438 -2.250 -8.906 1.00 0.00 N ATOM 243 CA ARG A 19 -3.990 -2.231 -8.732 1.00 0.00 C ATOM 244 C ARG A 19 -3.478 -0.814 -8.496 1.00 0.00 C ATOM 245 O ARG A 19 -3.748 0.095 -9.281 1.00 0.00 O ATOM 246 CB ARG A 19 -3.300 -2.829 -9.958 1.00 0.00 C ATOM 247 CG ARG A 19 -1.805 -3.037 -9.775 1.00 0.00 C ATOM 248 CD ARG A 19 -1.171 -3.659 -11.009 1.00 0.00 C ATOM 249 NE ARG A 19 0.054 -2.968 -11.403 1.00 0.00 N ATOM 250 CZ ARG A 19 0.073 -1.826 -12.087 1.00 0.00 C ATOM 251 NH1 ARG A 19 -1.063 -1.244 -12.450 1.00 0.00 N ATOM 252 NH2 ARG A 19 1.231 -1.264 -12.409 1.00 0.00 N ATOM 0 H ARG A 19 -5.764 -1.824 -9.773 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.754 -2.832 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.765 -3.786 -10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.465 -2.174 -10.813 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.327 -2.080 -9.563 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.629 -3.679 -8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.948 -4.708 -10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.883 -3.634 -11.834 1.00 0.00 H new ATOM 0 HE ARG A 19 0.947 -3.385 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.956 -1.672 -12.205 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.043 -0.369 -12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.107 -1.707 -12.132 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.245 -0.389 -12.933 1.00 0.00 H new ATOM 266 N LEU A 20 -2.727 -0.639 -7.415 1.00 0.00 N ATOM 267 CA LEU A 20 -2.162 0.659 -7.078 1.00 0.00 C ATOM 268 C LEU A 20 -0.645 0.616 -7.183 1.00 0.00 C ATOM 269 O LEU A 20 -0.012 -0.364 -6.788 1.00 0.00 O ATOM 270 CB LEU A 20 -2.574 1.078 -5.667 1.00 0.00 C ATOM 271 CG LEU A 20 -3.985 0.659 -5.252 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.278 1.105 -3.827 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.013 1.228 -6.219 1.00 0.00 C ATOM 0 H LEU A 20 -2.496 -1.383 -6.756 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.548 1.393 -7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.863 0.656 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.496 2.162 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.048 -0.429 -5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.286 0.798 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.559 0.647 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.198 2.190 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.012 0.921 -5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.951 2.316 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.813 0.855 -7.224 1.00 0.00 H new ATOM 285 N SER A 21 -0.068 1.681 -7.722 1.00 0.00 N ATOM 286 CA SER A 21 1.377 1.766 -7.888 1.00 0.00 C ATOM 287 C SER A 21 1.958 2.895 -7.045 1.00 0.00 C ATOM 288 O SER A 21 1.676 4.070 -7.281 1.00 0.00 O ATOM 289 CB SER A 21 1.730 1.980 -9.360 1.00 0.00 C ATOM 290 OG SER A 21 1.280 3.244 -9.815 1.00 0.00 O ATOM 0 H SER A 21 -0.579 2.500 -8.052 1.00 0.00 H new ATOM 0 HA SER A 21 1.811 0.825 -7.550 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.809 1.906 -9.493 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.280 1.192 -9.963 1.00 0.00 H new ATOM 0 HG SER A 21 0.322 3.197 -10.017 1.00 0.00 H new ATOM 296 N CYS A 22 2.774 2.529 -6.064 1.00 0.00 N ATOM 297 CA CYS A 22 3.400 3.509 -5.187 1.00 0.00 C ATOM 298 C CYS A 22 4.881 3.655 -5.516 1.00 0.00 C ATOM 299 O CYS A 22 5.588 2.664 -5.700 1.00 0.00 O ATOM 300 CB CYS A 22 3.222 3.101 -3.723 1.00 0.00 C ATOM 301 SG CYS A 22 4.149 4.127 -2.534 1.00 0.00 S ATOM 0 H CYS A 22 3.017 1.560 -5.856 1.00 0.00 H new ATOM 0 HA CYS A 22 2.914 4.472 -5.345 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.162 3.145 -3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.533 2.063 -3.608 1.00 0.00 H new ATOM 306 N ALA A 23 5.342 4.897 -5.589 1.00 0.00 N ATOM 307 CA ALA A 23 6.740 5.176 -5.897 1.00 0.00 C ATOM 308 C ALA A 23 7.389 6.010 -4.798 1.00 0.00 C ATOM 309 O ALA A 23 6.762 6.905 -4.231 1.00 0.00 O ATOM 310 CB ALA A 23 6.854 5.884 -7.238 1.00 0.00 C ATOM 0 H ALA A 23 4.769 5.727 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 23 7.270 4.225 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.903 6.086 -7.455 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.437 5.250 -8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.304 6.824 -7.201 1.00 0.00 H new ATOM 316 N ALA A 24 8.650 5.710 -4.502 1.00 0.00 N ATOM 317 CA ALA A 24 9.385 6.432 -3.471 1.00 0.00 C ATOM 318 C ALA A 24 10.576 7.175 -4.064 1.00 0.00 C ATOM 319 O ALA A 24 10.800 7.145 -5.274 1.00 0.00 O ATOM 320 CB ALA A 24 9.846 5.473 -2.384 1.00 0.00 C ATOM 0 H ALA A 24 9.183 4.972 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 24 8.714 7.169 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.394 6.025 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.979 4.991 -1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.496 4.714 -2.820 1.00 0.00 H new ATOM 326 N SER A 25 11.338 7.843 -3.204 1.00 0.00 N ATOM 327 CA SER A 25 12.508 8.595 -3.644 1.00 0.00 C ATOM 328 C SER A 25 13.504 8.770 -2.502 1.00 0.00 C ATOM 329 O SER A 25 13.135 8.710 -1.329 1.00 0.00 O ATOM 330 CB SER A 25 12.088 9.965 -4.182 1.00 0.00 C ATOM 331 OG SER A 25 12.863 10.329 -5.311 1.00 0.00 O ATOM 0 H SER A 25 11.167 7.879 -2.199 1.00 0.00 H new ATOM 0 HA SER A 25 12.991 8.031 -4.442 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.032 9.945 -4.453 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.202 10.717 -3.401 1.00 0.00 H new ATOM 0 HG SER A 25 12.574 11.207 -5.637 1.00 0.00 H new ATOM 337 N GLY A 26 14.767 8.988 -2.853 1.00 0.00 N ATOM 338 CA GLY A 26 15.795 9.170 -1.846 1.00 0.00 C ATOM 339 C GLY A 26 16.478 7.870 -1.467 1.00 0.00 C ATOM 340 O GLY A 26 15.867 6.997 -0.850 1.00 0.00 O ATOM 0 H GLY A 26 15.097 9.042 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.541 9.873 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.351 9.616 -0.956 1.00 0.00 H new ATOM 344 N ARG A 27 17.748 7.742 -1.837 1.00 0.00 N ATOM 345 CA ARG A 27 18.517 6.544 -1.534 1.00 0.00 C ATOM 346 C ARG A 27 18.830 6.468 -0.043 1.00 0.00 C ATOM 347 O ARG A 27 19.577 7.292 0.486 1.00 0.00 O ATOM 348 CB ARG A 27 19.816 6.528 -2.342 1.00 0.00 C ATOM 349 CG ARG A 27 19.685 7.136 -3.730 1.00 0.00 C ATOM 350 CD ARG A 27 20.705 6.554 -4.695 1.00 0.00 C ATOM 351 NE ARG A 27 20.386 6.874 -6.084 1.00 0.00 N ATOM 352 CZ ARG A 27 21.273 6.840 -7.077 1.00 0.00 C ATOM 353 NH1 ARG A 27 22.532 6.493 -6.841 1.00 0.00 N ATOM 354 NH2 ARG A 27 20.898 7.152 -8.311 1.00 0.00 N ATOM 0 H ARG A 27 18.266 8.456 -2.349 1.00 0.00 H new ATOM 0 HA ARG A 27 17.918 5.676 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 27 20.583 7.070 -1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 27 20.160 5.498 -2.438 1.00 0.00 H new ATOM 0 HG2 ARG A 27 18.680 6.959 -4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 27 19.817 8.216 -3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.695 6.939 -4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.745 5.472 -4.572 1.00 0.00 H new ATOM 0 HE ARG A 27 19.427 7.139 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.825 6.250 -5.895 1.00 0.00 H new ATOM 0 HH12 ARG A 27 23.206 6.469 -7.606 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.931 7.418 -8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.577 7.126 -9.072 1.00 0.00 H new ATOM 368 N THR A 28 18.254 5.478 0.630 1.00 0.00 N ATOM 369 CA THR A 28 18.472 5.299 2.060 1.00 0.00 C ATOM 370 C THR A 28 19.512 4.214 2.321 1.00 0.00 C ATOM 371 O THR A 28 19.945 3.518 1.403 1.00 0.00 O ATOM 372 CB THR A 28 17.156 4.945 2.761 1.00 0.00 C ATOM 373 OG1 THR A 28 16.067 5.010 1.856 1.00 0.00 O ATOM 374 CG2 THR A 28 16.838 5.856 3.928 1.00 0.00 C ATOM 0 H THR A 28 17.633 4.788 0.208 1.00 0.00 H new ATOM 0 HA THR A 28 18.847 6.239 2.465 1.00 0.00 H new ATOM 0 HB THR A 28 17.294 3.931 3.136 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.458 4.260 2.023 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.894 5.552 4.380 1.00 0.00 H new ATOM 0 HG22 THR A 28 17.634 5.789 4.669 1.00 0.00 H new ATOM 0 HG23 THR A 28 16.757 6.884 3.575 1.00 0.00 H new ATOM 382 N GLY A 29 19.910 4.080 3.581 1.00 0.00 N ATOM 383 CA GLY A 29 20.896 3.084 3.948 1.00 0.00 C ATOM 384 C GLY A 29 20.341 2.033 4.888 1.00 0.00 C ATOM 385 O GLY A 29 20.785 0.885 4.880 1.00 0.00 O ATOM 0 H GLY A 29 19.565 4.646 4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 29 21.270 2.599 3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 29 21.746 3.576 4.421 1.00 0.00 H new ATOM 389 N SER A 30 19.369 2.430 5.700 1.00 0.00 N ATOM 390 CA SER A 30 18.747 1.521 6.657 1.00 0.00 C ATOM 391 C SER A 30 17.893 0.465 5.955 1.00 0.00 C ATOM 392 O SER A 30 17.437 -0.490 6.583 1.00 0.00 O ATOM 393 CB SER A 30 17.887 2.305 7.649 1.00 0.00 C ATOM 394 OG SER A 30 17.789 1.626 8.889 1.00 0.00 O ATOM 0 H SER A 30 18.993 3.378 5.715 1.00 0.00 H new ATOM 0 HA SER A 30 19.546 1.009 7.193 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.318 3.294 7.806 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.891 2.454 7.233 1.00 0.00 H new ATOM 0 HG SER A 30 17.235 2.149 9.506 1.00 0.00 H new ATOM 400 N THR A 31 17.677 0.640 4.652 1.00 0.00 N ATOM 401 CA THR A 31 16.875 -0.302 3.875 1.00 0.00 C ATOM 402 C THR A 31 15.399 -0.193 4.246 1.00 0.00 C ATOM 403 O THR A 31 14.790 -1.156 4.711 1.00 0.00 O ATOM 404 CB THR A 31 17.368 -1.735 4.091 1.00 0.00 C ATOM 405 OG1 THR A 31 18.783 -1.790 4.058 1.00 0.00 O ATOM 406 CG2 THR A 31 16.848 -2.709 3.056 1.00 0.00 C ATOM 0 H THR A 31 18.046 1.424 4.114 1.00 0.00 H new ATOM 0 HA THR A 31 16.986 -0.049 2.821 1.00 0.00 H new ATOM 0 HB THR A 31 16.984 -2.027 5.068 1.00 0.00 H new ATOM 0 HG1 THR A 31 19.078 -2.714 4.200 1.00 0.00 H new ATOM 0 HG21 THR A 31 17.235 -3.706 3.267 1.00 0.00 H new ATOM 0 HG22 THR A 31 15.759 -2.728 3.089 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.175 -2.395 2.065 1.00 0.00 H new ATOM 414 N TYR A 32 14.835 0.992 4.045 1.00 0.00 N ATOM 415 CA TYR A 32 13.461 1.257 4.354 1.00 0.00 C ATOM 416 C TYR A 32 12.516 0.510 3.409 1.00 0.00 C ATOM 417 O TYR A 32 12.696 0.524 2.192 1.00 0.00 O ATOM 418 CB TYR A 32 13.269 2.765 4.259 1.00 0.00 C ATOM 419 CG TYR A 32 12.932 3.277 2.874 1.00 0.00 C ATOM 420 CD1 TYR A 32 13.747 2.983 1.788 1.00 0.00 C ATOM 421 CD2 TYR A 32 11.806 4.060 2.656 1.00 0.00 C ATOM 422 CE1 TYR A 32 13.448 3.453 0.524 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.500 4.535 1.395 1.00 0.00 C ATOM 424 CZ TYR A 32 12.325 4.229 0.332 1.00 0.00 C ATOM 425 OH TYR A 32 12.025 4.700 -0.925 1.00 0.00 O ATOM 0 H TYR A 32 15.334 1.794 3.659 1.00 0.00 H new ATOM 0 HA TYR A 32 13.220 0.902 5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 32 12.473 3.060 4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 32 14.181 3.255 4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 32 14.629 2.377 1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.159 4.302 3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 32 14.091 3.214 -0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.620 5.142 1.242 1.00 0.00 H new ATOM 0 HH TYR A 32 12.312 5.634 -1.001 1.00 0.00 H new ATOM 435 N ASP A 33 11.514 -0.148 3.986 1.00 0.00 N ATOM 436 CA ASP A 33 10.541 -0.909 3.207 1.00 0.00 C ATOM 437 C ASP A 33 9.430 -0.005 2.683 1.00 0.00 C ATOM 438 O ASP A 33 9.461 1.209 2.879 1.00 0.00 O ATOM 439 CB ASP A 33 9.943 -2.027 4.062 1.00 0.00 C ATOM 440 CG ASP A 33 11.004 -2.834 4.784 1.00 0.00 C ATOM 441 OD1 ASP A 33 12.099 -3.022 4.212 1.00 0.00 O ATOM 442 OD2 ASP A 33 10.741 -3.277 5.922 1.00 0.00 O ATOM 0 H ASP A 33 11.354 -0.169 4.993 1.00 0.00 H new ATOM 0 HA ASP A 33 11.058 -1.346 2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.259 -1.595 4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.355 -2.690 3.428 1.00 0.00 H new ATOM 447 N MET A 34 8.447 -0.605 2.015 1.00 0.00 N ATOM 448 CA MET A 34 7.327 0.153 1.465 1.00 0.00 C ATOM 449 C MET A 34 6.029 -0.643 1.562 1.00 0.00 C ATOM 450 O MET A 34 5.954 -1.783 1.106 1.00 0.00 O ATOM 451 CB MET A 34 7.605 0.525 0.006 1.00 0.00 C ATOM 452 CG MET A 34 8.047 1.968 -0.180 1.00 0.00 C ATOM 453 SD MET A 34 8.625 2.306 -1.854 1.00 0.00 S ATOM 454 CE MET A 34 7.069 2.519 -2.714 1.00 0.00 C ATOM 0 H MET A 34 8.404 -1.609 1.842 1.00 0.00 H new ATOM 0 HA MET A 34 7.215 1.065 2.051 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.377 -0.136 -0.388 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.704 0.351 -0.583 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.215 2.632 0.054 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.844 2.194 0.528 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.116 2.018 -3.681 1.00 0.00 H new ATOM 0 HE2 MET A 34 6.263 2.088 -2.120 1.00 0.00 H new ATOM 0 HE3 MET A 34 6.879 3.582 -2.865 1.00 0.00 H new ATOM 464 N GLY A 35 5.006 -0.034 2.159 1.00 0.00 N ATOM 465 CA GLY A 35 3.727 -0.705 2.302 1.00 0.00 C ATOM 466 C GLY A 35 2.551 0.251 2.264 1.00 0.00 C ATOM 467 O GLY A 35 2.690 1.431 2.585 1.00 0.00 O ATOM 0 H GLY A 35 5.041 0.910 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.617 -1.440 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.713 -1.253 3.244 1.00 0.00 H new ATOM 471 N TRP A 36 1.389 -0.260 1.865 1.00 0.00 N ATOM 472 CA TRP A 36 0.185 0.546 1.778 1.00 0.00 C ATOM 473 C TRP A 36 -0.553 0.588 3.107 1.00 0.00 C ATOM 474 O TRP A 36 -0.436 -0.321 3.930 1.00 0.00 O ATOM 475 CB TRP A 36 -0.731 -0.008 0.700 1.00 0.00 C ATOM 476 CG TRP A 36 -0.150 0.061 -0.678 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.763 -0.793 -1.225 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.444 1.036 -1.685 1.00 0.00 C ATOM 479 NE1 TRP A 36 1.055 -0.410 -2.511 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.327 0.710 -2.817 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.284 2.152 -1.739 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.281 1.459 -3.990 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.328 2.895 -2.904 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.550 2.545 -4.016 1.00 0.00 C ATOM 0 H TRP A 36 1.261 -1.236 1.596 1.00 0.00 H new ATOM 0 HA TRP A 36 0.480 1.564 1.522 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.966 -1.046 0.934 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.671 0.543 0.716 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.193 -1.645 -0.720 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.708 -0.882 -3.137 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.887 2.429 -0.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.880 1.192 -4.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.973 3.760 -2.958 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.608 3.145 -4.912 1.00 0.00 H new ATOM 495 N PHE A 37 -1.307 1.660 3.309 1.00 0.00 N ATOM 496 CA PHE A 37 -2.060 1.845 4.529 1.00 0.00 C ATOM 497 C PHE A 37 -3.472 2.340 4.224 1.00 0.00 C ATOM 498 O PHE A 37 -3.840 2.515 3.063 1.00 0.00 O ATOM 499 CB PHE A 37 -1.338 2.856 5.412 1.00 0.00 C ATOM 500 CG PHE A 37 -0.351 2.237 6.356 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.786 1.606 5.877 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.560 2.288 7.724 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.695 1.034 6.747 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.345 1.718 8.599 1.00 0.00 C ATOM 505 CZ PHE A 37 1.474 1.089 8.109 1.00 0.00 C ATOM 0 H PHE A 37 -1.410 2.417 2.634 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.138 0.888 5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.819 3.574 4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.076 3.415 5.987 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.964 1.561 4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.440 2.779 8.112 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.577 0.544 6.362 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.170 1.764 9.664 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.182 0.641 8.790 1.00 0.00 H new ATOM 515 N ARG A 38 -4.255 2.571 5.273 1.00 0.00 N ATOM 516 CA ARG A 38 -5.621 3.056 5.117 1.00 0.00 C ATOM 517 C ARG A 38 -6.018 3.955 6.284 1.00 0.00 C ATOM 518 O ARG A 38 -5.466 3.845 7.382 1.00 0.00 O ATOM 519 CB ARG A 38 -6.604 1.894 5.003 1.00 0.00 C ATOM 520 CG ARG A 38 -5.966 0.572 4.612 1.00 0.00 C ATOM 521 CD ARG A 38 -7.014 -0.467 4.248 1.00 0.00 C ATOM 522 NE ARG A 38 -8.077 -0.548 5.249 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.339 -0.172 5.037 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.712 0.318 3.860 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.233 -0.285 6.010 1.00 0.00 N ATOM 0 H ARG A 38 -3.966 2.430 6.241 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.659 3.639 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.114 1.770 5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.366 2.149 4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.296 0.726 3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.357 0.203 5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.447 -0.221 3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.537 -1.442 4.146 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.838 -0.916 6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.030 0.410 3.107 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.680 0.602 3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.955 -0.659 6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.199 0.002 5.851 1.00 0.00 H new ATOM 539 N GLN A 39 -6.979 4.845 6.041 1.00 0.00 N ATOM 540 CA GLN A 39 -7.447 5.763 7.074 1.00 0.00 C ATOM 541 C GLN A 39 -8.882 6.208 6.805 1.00 0.00 C ATOM 542 O GLN A 39 -9.239 6.542 5.676 1.00 0.00 O ATOM 543 CB GLN A 39 -6.527 6.984 7.152 1.00 0.00 C ATOM 544 CG GLN A 39 -6.045 7.293 8.560 1.00 0.00 C ATOM 545 CD GLN A 39 -7.156 7.791 9.462 1.00 0.00 C ATOM 546 OE1 GLN A 39 -8.209 8.221 8.991 1.00 0.00 O ATOM 547 NE2 GLN A 39 -6.926 7.736 10.769 1.00 0.00 N ATOM 0 H GLN A 39 -7.446 4.949 5.140 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.426 5.236 8.028 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.663 6.819 6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.055 7.853 6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.605 6.395 8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.256 8.044 8.513 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.039 7.372 11.116 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.637 8.058 11.426 1.00 0.00 H new ATOM 556 N ALA A 40 -9.697 6.214 7.854 1.00 0.00 N ATOM 557 CA ALA A 40 -11.091 6.624 7.741 1.00 0.00 C ATOM 558 C ALA A 40 -11.407 7.743 8.729 1.00 0.00 C ATOM 559 O ALA A 40 -10.832 7.798 9.816 1.00 0.00 O ATOM 560 CB ALA A 40 -12.013 5.435 7.972 1.00 0.00 C ATOM 0 H ALA A 40 -9.415 5.939 8.795 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.256 7.003 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.051 5.757 7.884 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.808 4.665 7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.842 5.030 8.969 1.00 0.00 H new ATOM 566 N PRO A 41 -12.323 8.656 8.366 1.00 0.00 N ATOM 567 CA PRO A 41 -12.699 9.775 9.235 1.00 0.00 C ATOM 568 C PRO A 41 -13.373 9.310 10.512 1.00 0.00 C ATOM 569 O PRO A 41 -14.206 8.403 10.497 1.00 0.00 O ATOM 570 CB PRO A 41 -13.663 10.599 8.376 1.00 0.00 C ATOM 571 CG PRO A 41 -14.176 9.646 7.352 1.00 0.00 C ATOM 572 CD PRO A 41 -13.058 8.675 7.090 1.00 0.00 C ATOM 0 HA PRO A 41 -11.829 10.341 9.567 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.475 11.009 8.976 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.154 11.443 7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.065 9.129 7.712 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.459 10.170 6.439 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -13.436 7.687 6.828 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.425 9.003 6.265 1.00 0.00 H new ATOM 580 N GLY A 42 -12.982 9.922 11.624 1.00 0.00 N ATOM 581 CA GLY A 42 -13.534 9.541 12.905 1.00 0.00 C ATOM 582 C GLY A 42 -13.055 8.167 13.333 1.00 0.00 C ATOM 583 O GLY A 42 -13.475 7.650 14.368 1.00 0.00 O ATOM 0 H GLY A 42 -12.294 10.674 11.659 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.250 10.277 13.658 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.623 9.546 12.849 1.00 0.00 H new ATOM 587 N LYS A 43 -12.179 7.568 12.524 1.00 0.00 N ATOM 588 CA LYS A 43 -11.651 6.248 12.810 1.00 0.00 C ATOM 589 C LYS A 43 -10.160 6.315 13.137 1.00 0.00 C ATOM 590 O LYS A 43 -9.630 7.385 13.438 1.00 0.00 O ATOM 591 CB LYS A 43 -11.886 5.353 11.600 1.00 0.00 C ATOM 592 CG LYS A 43 -12.192 3.906 11.952 1.00 0.00 C ATOM 593 CD LYS A 43 -13.682 3.617 11.871 1.00 0.00 C ATOM 594 CE LYS A 43 -14.094 3.209 10.466 1.00 0.00 C ATOM 595 NZ LYS A 43 -13.750 1.789 10.177 1.00 0.00 N ATOM 0 H LYS A 43 -11.824 7.985 11.664 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.163 5.838 13.680 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.714 5.757 11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.003 5.382 10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.654 3.244 11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.833 3.691 12.958 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.938 2.822 12.572 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.242 4.502 12.173 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.168 3.354 10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.602 3.857 9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.047 1.550 9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.722 1.656 10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.240 1.169 10.853 1.00 0.00 H new ATOM 609 N GLU A 44 -9.488 5.169 13.072 1.00 0.00 N ATOM 610 CA GLU A 44 -8.061 5.099 13.356 1.00 0.00 C ATOM 611 C GLU A 44 -7.287 4.631 12.128 1.00 0.00 C ATOM 612 O GLU A 44 -7.848 4.002 11.232 1.00 0.00 O ATOM 613 CB GLU A 44 -7.796 4.156 14.531 1.00 0.00 C ATOM 614 CG GLU A 44 -8.773 4.327 15.682 1.00 0.00 C ATOM 615 CD GLU A 44 -9.904 3.318 15.642 1.00 0.00 C ATOM 616 OE1 GLU A 44 -10.350 2.969 14.529 1.00 0.00 O ATOM 617 OE2 GLU A 44 -10.345 2.877 16.725 1.00 0.00 O ATOM 0 H GLU A 44 -9.912 4.275 12.824 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.719 6.100 13.621 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.842 3.126 14.177 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.783 4.322 14.898 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.237 4.229 16.626 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.189 5.334 15.654 1.00 0.00 H new ATOM 624 N ARG A 45 -5.995 4.943 12.093 1.00 0.00 N ATOM 625 CA ARG A 45 -5.146 4.554 10.972 1.00 0.00 C ATOM 626 C ARG A 45 -4.778 3.077 11.050 1.00 0.00 C ATOM 627 O ARG A 45 -4.668 2.509 12.137 1.00 0.00 O ATOM 628 CB ARG A 45 -3.873 5.400 10.950 1.00 0.00 C ATOM 629 CG ARG A 45 -3.333 5.657 9.552 1.00 0.00 C ATOM 630 CD ARG A 45 -1.830 5.437 9.483 1.00 0.00 C ATOM 631 NE ARG A 45 -1.081 6.648 9.811 1.00 0.00 N ATOM 632 CZ ARG A 45 -1.081 7.747 9.059 1.00 0.00 C ATOM 633 NH1 ARG A 45 -1.789 7.791 7.937 1.00 0.00 N ATOM 634 NH2 ARG A 45 -0.371 8.804 9.429 1.00 0.00 N ATOM 0 H ARG A 45 -5.514 5.463 12.827 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.708 4.724 10.053 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.074 6.356 11.433 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.105 4.900 11.540 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.831 4.997 8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.566 6.679 9.254 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.549 4.640 10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.559 5.104 8.481 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.525 6.652 10.666 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.336 6.981 7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.786 8.635 7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.175 8.775 10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.371 9.646 8.853 1.00 0.00 H new ATOM 648 N GLU A 46 -4.587 2.464 9.888 1.00 0.00 N ATOM 649 CA GLU A 46 -4.228 1.053 9.816 1.00 0.00 C ATOM 650 C GLU A 46 -3.410 0.768 8.561 1.00 0.00 C ATOM 651 O GLU A 46 -3.358 1.587 7.645 1.00 0.00 O ATOM 652 CB GLU A 46 -5.491 0.190 9.839 1.00 0.00 C ATOM 653 CG GLU A 46 -6.243 0.155 8.517 1.00 0.00 C ATOM 654 CD GLU A 46 -7.480 -0.721 8.575 1.00 0.00 C ATOM 655 OE1 GLU A 46 -7.333 -1.959 8.514 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.595 -0.168 8.681 1.00 0.00 O ATOM 0 H GLU A 46 -4.675 2.923 8.981 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.616 0.805 10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.218 -0.828 10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.159 0.563 10.615 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.532 1.169 8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.579 -0.211 7.734 1.00 0.00 H new ATOM 663 N SER A 47 -2.772 -0.396 8.525 1.00 0.00 N ATOM 664 CA SER A 47 -1.960 -0.781 7.383 1.00 0.00 C ATOM 665 C SER A 47 -2.651 -1.862 6.567 1.00 0.00 C ATOM 666 O SER A 47 -3.683 -2.401 6.968 1.00 0.00 O ATOM 667 CB SER A 47 -0.591 -1.276 7.845 1.00 0.00 C ATOM 668 OG SER A 47 0.314 -1.389 6.759 1.00 0.00 O ATOM 0 H SER A 47 -2.803 -1.087 9.274 1.00 0.00 H new ATOM 0 HA SER A 47 -1.827 0.098 6.753 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.186 -0.589 8.588 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.699 -2.245 8.333 1.00 0.00 H new ATOM 0 HG SER A 47 0.457 -0.506 6.359 1.00 0.00 H new ATOM 674 N VAL A 48 -2.072 -2.169 5.419 1.00 0.00 N ATOM 675 CA VAL A 48 -2.624 -3.186 4.529 1.00 0.00 C ATOM 676 C VAL A 48 -1.573 -4.213 4.129 1.00 0.00 C ATOM 677 O VAL A 48 -1.639 -5.372 4.537 1.00 0.00 O ATOM 678 CB VAL A 48 -3.221 -2.564 3.256 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.203 -3.523 2.600 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.891 -1.236 3.565 1.00 0.00 C ATOM 0 H VAL A 48 -1.217 -1.729 5.077 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.416 -3.683 5.089 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.407 -2.376 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.614 -3.064 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.687 -4.446 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.012 -3.748 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.306 -0.816 2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.692 -1.392 4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.157 -0.546 3.981 1.00 0.00 H new ATOM 690 N ALA A 49 -0.606 -3.788 3.324 1.00 0.00 N ATOM 691 CA ALA A 49 0.449 -4.685 2.870 1.00 0.00 C ATOM 692 C ALA A 49 1.764 -3.944 2.684 1.00 0.00 C ATOM 693 O ALA A 49 1.806 -2.870 2.085 1.00 0.00 O ATOM 694 CB ALA A 49 0.040 -5.371 1.576 1.00 0.00 C ATOM 0 H ALA A 49 -0.531 -2.833 2.974 1.00 0.00 H new ATOM 0 HA ALA A 49 0.598 -5.443 3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.838 -6.038 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.870 -5.948 1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.142 -4.620 0.808 1.00 0.00 H new ATOM 700 N ALA A 50 2.839 -4.528 3.200 1.00 0.00 N ATOM 701 CA ALA A 50 4.157 -3.924 3.090 1.00 0.00 C ATOM 702 C ALA A 50 5.184 -4.930 2.592 1.00 0.00 C ATOM 703 O ALA A 50 5.136 -6.106 2.939 1.00 0.00 O ATOM 704 CB ALA A 50 4.586 -3.349 4.427 1.00 0.00 C ATOM 0 H ALA A 50 2.822 -5.418 3.698 1.00 0.00 H new ATOM 0 HA ALA A 50 4.098 -3.116 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.574 -2.900 4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.872 -2.589 4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.621 -4.145 5.171 1.00 0.00 H new ATOM 710 N ILE A 51 6.113 -4.456 1.776 1.00 0.00 N ATOM 711 CA ILE A 51 7.154 -5.313 1.228 1.00 0.00 C ATOM 712 C ILE A 51 8.538 -4.766 1.542 1.00 0.00 C ATOM 713 O ILE A 51 8.765 -3.554 1.503 1.00 0.00 O ATOM 714 CB ILE A 51 7.005 -5.468 -0.298 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.058 -6.436 -0.846 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.108 -4.114 -0.987 1.00 0.00 C ATOM 717 CD1 ILE A 51 7.805 -7.880 -0.472 1.00 0.00 C ATOM 0 H ILE A 51 6.168 -3.482 1.478 1.00 0.00 H new ATOM 0 HA ILE A 51 7.041 -6.290 1.697 1.00 0.00 H new ATOM 0 HB ILE A 51 6.019 -5.882 -0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.088 -6.350 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.040 -6.140 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.000 -4.245 -2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.318 -3.458 -0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.079 -3.669 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.590 -8.508 -0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.804 -7.980 0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.838 -8.194 -0.866 1.00 0.00 H new ATOM 729 N ASN A 52 9.462 -5.669 1.849 1.00 0.00 N ATOM 730 CA ASN A 52 10.829 -5.279 2.164 1.00 0.00 C ATOM 731 C ASN A 52 11.628 -5.047 0.886 1.00 0.00 C ATOM 732 O ASN A 52 11.057 -4.891 -0.193 1.00 0.00 O ATOM 733 CB ASN A 52 11.503 -6.347 3.020 1.00 0.00 C ATOM 734 CG ASN A 52 12.402 -5.754 4.087 1.00 0.00 C ATOM 735 OD1 ASN A 52 13.582 -5.498 3.849 1.00 0.00 O ATOM 736 ND2 ASN A 52 11.847 -5.532 5.273 1.00 0.00 N ATOM 0 H ASN A 52 9.289 -6.674 1.886 1.00 0.00 H new ATOM 0 HA ASN A 52 10.798 -4.347 2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.739 -6.963 3.494 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.090 -7.005 2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.403 -5.134 6.030 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.865 -5.759 5.427 1.00 0.00 H new ATOM 743 N TRP A 53 12.949 -5.028 1.011 1.00 0.00 N ATOM 744 CA TRP A 53 13.821 -4.820 -0.135 1.00 0.00 C ATOM 745 C TRP A 53 14.445 -6.140 -0.577 1.00 0.00 C ATOM 746 O TRP A 53 15.667 -6.289 -0.595 1.00 0.00 O ATOM 747 CB TRP A 53 14.913 -3.807 0.216 1.00 0.00 C ATOM 748 CG TRP A 53 15.141 -2.778 -0.850 1.00 0.00 C ATOM 749 CD1 TRP A 53 15.170 -1.423 -0.684 1.00 0.00 C ATOM 750 CD2 TRP A 53 15.371 -3.016 -2.245 1.00 0.00 C ATOM 751 NE1 TRP A 53 15.403 -0.805 -1.888 1.00 0.00 N ATOM 752 CE2 TRP A 53 15.529 -1.760 -2.862 1.00 0.00 C ATOM 753 CE3 TRP A 53 15.459 -4.168 -3.034 1.00 0.00 C ATOM 754 CZ2 TRP A 53 15.770 -1.625 -4.227 1.00 0.00 C ATOM 755 CZ3 TRP A 53 15.698 -4.032 -4.388 1.00 0.00 C ATOM 756 CH2 TRP A 53 15.851 -2.769 -4.973 1.00 0.00 C ATOM 0 H TRP A 53 13.439 -5.154 1.896 1.00 0.00 H new ATOM 0 HA TRP A 53 13.227 -4.427 -0.960 1.00 0.00 H new ATOM 0 HB2 TRP A 53 14.645 -3.303 1.145 1.00 0.00 H new ATOM 0 HB3 TRP A 53 15.846 -4.340 0.401 1.00 0.00 H new ATOM 0 HD1 TRP A 53 15.030 -0.912 0.257 1.00 0.00 H new ATOM 0 HE1 TRP A 53 15.471 0.202 -2.034 1.00 0.00 H new ATOM 0 HE3 TRP A 53 15.342 -5.147 -2.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 15.889 -0.652 -4.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 15.768 -4.915 -5.006 1.00 0.00 H new ATOM 0 HH2 TRP A 53 16.037 -2.696 -6.034 1.00 0.00 H new ATOM 767 N ASP A 54 13.596 -7.101 -0.927 1.00 0.00 N ATOM 768 CA ASP A 54 14.066 -8.410 -1.361 1.00 0.00 C ATOM 769 C ASP A 54 14.879 -9.078 -0.258 1.00 0.00 C ATOM 770 O ASP A 54 15.792 -9.858 -0.530 1.00 0.00 O ATOM 771 CB ASP A 54 14.914 -8.278 -2.627 1.00 0.00 C ATOM 772 CG ASP A 54 14.071 -8.205 -3.885 1.00 0.00 C ATOM 773 OD1 ASP A 54 12.877 -7.852 -3.780 1.00 0.00 O ATOM 774 OD2 ASP A 54 14.604 -8.502 -4.975 1.00 0.00 O ATOM 0 H ASP A 54 12.581 -6.997 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 54 13.197 -9.031 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.532 -7.383 -2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.592 -9.129 -2.697 1.00 0.00 H new ATOM 779 N SER A 55 14.544 -8.760 0.988 1.00 0.00 N ATOM 780 CA SER A 55 15.246 -9.321 2.136 1.00 0.00 C ATOM 781 C SER A 55 14.600 -10.623 2.596 1.00 0.00 C ATOM 782 O SER A 55 15.274 -11.644 2.735 1.00 0.00 O ATOM 783 CB SER A 55 15.263 -8.316 3.289 1.00 0.00 C ATOM 784 OG SER A 55 13.963 -8.123 3.818 1.00 0.00 O ATOM 0 H SER A 55 13.790 -8.116 1.228 1.00 0.00 H new ATOM 0 HA SER A 55 16.270 -9.536 1.829 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.930 -8.671 4.075 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.662 -7.364 2.939 1.00 0.00 H new ATOM 0 HG SER A 55 14.030 -7.764 4.728 1.00 0.00 H new ATOM 790 N ALA A 56 13.294 -10.582 2.841 1.00 0.00 N ATOM 791 CA ALA A 56 12.570 -11.761 3.294 1.00 0.00 C ATOM 792 C ALA A 56 11.281 -11.972 2.506 1.00 0.00 C ATOM 793 O ALA A 56 11.190 -12.885 1.685 1.00 0.00 O ATOM 794 CB ALA A 56 12.269 -11.654 4.781 1.00 0.00 C ATOM 0 H ALA A 56 12.718 -9.747 2.733 1.00 0.00 H new ATOM 0 HA ALA A 56 13.207 -12.628 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.727 -12.542 5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.203 -11.574 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.660 -10.769 4.966 1.00 0.00 H new ATOM 800 N ARG A 57 10.281 -11.135 2.768 1.00 0.00 N ATOM 801 CA ARG A 57 8.997 -11.254 2.086 1.00 0.00 C ATOM 802 C ARG A 57 8.121 -10.021 2.335 1.00 0.00 C ATOM 803 O ARG A 57 8.619 -8.959 2.719 1.00 0.00 O ATOM 804 CB ARG A 57 8.287 -12.530 2.557 1.00 0.00 C ATOM 805 CG ARG A 57 8.326 -13.659 1.538 1.00 0.00 C ATOM 806 CD ARG A 57 7.033 -13.741 0.744 1.00 0.00 C ATOM 807 NE ARG A 57 7.009 -12.788 -0.363 1.00 0.00 N ATOM 808 CZ ARG A 57 7.811 -12.862 -1.423 1.00 0.00 C ATOM 809 NH1 ARG A 57 8.693 -13.848 -1.530 1.00 0.00 N ATOM 810 NH2 ARG A 57 7.728 -11.950 -2.382 1.00 0.00 N ATOM 0 H ARG A 57 10.334 -10.372 3.443 1.00 0.00 H new ATOM 0 HA ARG A 57 9.174 -11.316 1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.748 -12.872 3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.248 -12.294 2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.163 -13.506 0.857 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.500 -14.606 2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.910 -14.752 0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.188 -13.549 1.406 1.00 0.00 H new ATOM 0 HE ARG A 57 6.338 -12.021 -0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.759 -14.555 -0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.305 -13.899 -2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.050 -11.192 -2.307 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.342 -12.007 -3.194 1.00 0.00 H new ATOM 824 N THR A 58 6.815 -10.167 2.107 1.00 0.00 N ATOM 825 CA THR A 58 5.875 -9.070 2.304 1.00 0.00 C ATOM 826 C THR A 58 5.207 -9.162 3.674 1.00 0.00 C ATOM 827 O THR A 58 5.505 -10.055 4.466 1.00 0.00 O ATOM 828 CB THR A 58 4.810 -9.075 1.204 1.00 0.00 C ATOM 829 OG1 THR A 58 5.169 -9.961 0.158 1.00 0.00 O ATOM 830 CG2 THR A 58 4.580 -7.712 0.591 1.00 0.00 C ATOM 0 H THR A 58 6.387 -11.035 1.786 1.00 0.00 H new ATOM 0 HA THR A 58 6.434 -8.136 2.254 1.00 0.00 H new ATOM 0 HB THR A 58 3.891 -9.397 1.694 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.474 -9.950 -0.533 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.814 -7.785 -0.181 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.252 -7.016 1.363 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.508 -7.351 0.148 1.00 0.00 H new ATOM 838 N TYR A 59 4.305 -8.224 3.942 1.00 0.00 N ATOM 839 CA TYR A 59 3.590 -8.176 5.209 1.00 0.00 C ATOM 840 C TYR A 59 2.129 -7.798 4.990 1.00 0.00 C ATOM 841 O TYR A 59 1.788 -6.616 4.949 1.00 0.00 O ATOM 842 CB TYR A 59 4.258 -7.163 6.139 1.00 0.00 C ATOM 843 CG TYR A 59 3.453 -6.840 7.379 1.00 0.00 C ATOM 844 CD1 TYR A 59 2.781 -7.837 8.075 1.00 0.00 C ATOM 845 CD2 TYR A 59 3.360 -5.536 7.849 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.039 -7.543 9.203 1.00 0.00 C ATOM 847 CE2 TYR A 59 2.620 -5.234 8.976 1.00 0.00 C ATOM 848 CZ TYR A 59 1.962 -6.241 9.650 1.00 0.00 C ATOM 849 OH TYR A 59 1.224 -5.944 10.772 1.00 0.00 O ATOM 0 H TYR A 59 4.051 -7.481 3.291 1.00 0.00 H new ATOM 0 HA TYR A 59 3.624 -9.165 5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.231 -7.550 6.441 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.439 -6.241 5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.839 -8.858 7.729 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.875 -4.745 7.324 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.522 -8.330 9.732 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.557 -4.215 9.327 1.00 0.00 H new ATOM 0 HH TYR A 59 1.275 -4.982 10.952 1.00 0.00 H new ATOM 859 N TYR A 60 1.271 -8.803 4.853 1.00 0.00 N ATOM 860 CA TYR A 60 -0.149 -8.572 4.642 1.00 0.00 C ATOM 861 C TYR A 60 -0.835 -8.180 5.947 1.00 0.00 C ATOM 862 O TYR A 60 -0.321 -8.448 7.034 1.00 0.00 O ATOM 863 CB TYR A 60 -0.803 -9.826 4.067 1.00 0.00 C ATOM 864 CG TYR A 60 -0.439 -10.093 2.624 1.00 0.00 C ATOM 865 CD1 TYR A 60 -0.735 -9.168 1.630 1.00 0.00 C ATOM 866 CD2 TYR A 60 0.202 -11.269 2.255 1.00 0.00 C ATOM 867 CE1 TYR A 60 -0.403 -9.409 0.310 1.00 0.00 C ATOM 868 CE2 TYR A 60 0.538 -11.517 0.938 1.00 0.00 C ATOM 869 CZ TYR A 60 0.233 -10.584 -0.030 1.00 0.00 C ATOM 870 OH TYR A 60 0.565 -10.827 -1.343 1.00 0.00 O ATOM 0 H TYR A 60 1.537 -9.787 4.885 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.261 -7.751 3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.513 -10.686 4.671 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.886 -9.730 4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.232 -8.246 1.893 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.442 -12.002 3.011 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.641 -8.681 -0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.037 -12.436 0.668 1.00 0.00 H new ATOM 0 HH TYR A 60 1.008 -11.698 -1.412 1.00 0.00 H new ATOM 880 N ALA A 61 -1.996 -7.545 5.834 1.00 0.00 N ATOM 881 CA ALA A 61 -2.750 -7.118 7.005 1.00 0.00 C ATOM 882 C ALA A 61 -4.067 -7.878 7.118 1.00 0.00 C ATOM 883 O ALA A 61 -4.504 -8.532 6.169 1.00 0.00 O ATOM 884 CB ALA A 61 -3.006 -5.619 6.951 1.00 0.00 C ATOM 0 H ALA A 61 -2.435 -7.315 4.943 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.155 -7.342 7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.570 -5.314 7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.054 -5.088 6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.577 -5.379 6.054 1.00 0.00 H new ATOM 890 N SER A 62 -4.699 -7.788 8.283 1.00 0.00 N ATOM 891 CA SER A 62 -5.962 -8.471 8.513 1.00 0.00 C ATOM 892 C SER A 62 -7.074 -7.834 7.693 1.00 0.00 C ATOM 893 O SER A 62 -7.024 -6.644 7.380 1.00 0.00 O ATOM 894 CB SER A 62 -6.323 -8.441 10.000 1.00 0.00 C ATOM 895 OG SER A 62 -5.960 -7.204 10.589 1.00 0.00 O ATOM 0 H SER A 62 -4.357 -7.250 9.079 1.00 0.00 H new ATOM 0 HA SER A 62 -5.850 -9.509 8.199 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.394 -8.604 10.121 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.816 -9.256 10.517 1.00 0.00 H new ATOM 0 HG SER A 62 -6.203 -7.210 11.538 1.00 0.00 H new ATOM 901 N SER A 63 -8.065 -8.646 7.331 1.00 0.00 N ATOM 902 CA SER A 63 -9.197 -8.192 6.524 1.00 0.00 C ATOM 903 C SER A 63 -8.869 -8.288 5.035 1.00 0.00 C ATOM 904 O SER A 63 -9.755 -8.178 4.188 1.00 0.00 O ATOM 905 CB SER A 63 -9.597 -6.756 6.883 1.00 0.00 C ATOM 906 OG SER A 63 -11.006 -6.604 6.885 1.00 0.00 O ATOM 0 H SER A 63 -8.107 -9.632 7.587 1.00 0.00 H new ATOM 0 HA SER A 63 -10.041 -8.846 6.743 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.199 -6.499 7.865 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.154 -6.062 6.168 1.00 0.00 H new ATOM 0 HG SER A 63 -11.235 -5.680 7.118 1.00 0.00 H new ATOM 912 N VAL A 64 -7.590 -8.501 4.720 1.00 0.00 N ATOM 913 CA VAL A 64 -7.154 -8.617 3.335 1.00 0.00 C ATOM 914 C VAL A 64 -5.950 -9.551 3.202 1.00 0.00 C ATOM 915 O VAL A 64 -5.299 -9.588 2.157 1.00 0.00 O ATOM 916 CB VAL A 64 -6.796 -7.239 2.741 1.00 0.00 C ATOM 917 CG1 VAL A 64 -7.961 -6.274 2.892 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.541 -6.677 3.396 1.00 0.00 C ATOM 0 H VAL A 64 -6.842 -8.596 5.407 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.991 -9.038 2.778 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.593 -7.367 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.690 -5.307 2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.831 -6.669 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.198 -6.152 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.308 -5.705 2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.709 -6.565 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.707 -7.359 3.229 1.00 0.00 H new ATOM 928 N ARG A 65 -5.653 -10.302 4.262 1.00 0.00 N ATOM 929 CA ARG A 65 -4.539 -11.219 4.259 1.00 0.00 C ATOM 930 C ARG A 65 -4.921 -12.518 3.572 1.00 0.00 C ATOM 931 O ARG A 65 -5.269 -13.509 4.213 1.00 0.00 O ATOM 932 CB ARG A 65 -4.081 -11.476 5.690 1.00 0.00 C ATOM 933 CG ARG A 65 -3.169 -12.677 5.837 1.00 0.00 C ATOM 934 CD ARG A 65 -2.056 -12.420 6.840 1.00 0.00 C ATOM 935 NE ARG A 65 -1.356 -13.648 7.208 1.00 0.00 N ATOM 936 CZ ARG A 65 -1.898 -14.622 7.937 1.00 0.00 C ATOM 937 NH1 ARG A 65 -3.146 -14.516 8.376 1.00 0.00 N ATOM 938 NH2 ARG A 65 -1.190 -15.705 8.227 1.00 0.00 N ATOM 0 H ARG A 65 -6.180 -10.285 5.135 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.714 -10.776 3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.563 -10.591 6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.958 -11.619 6.322 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.753 -13.540 6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.735 -12.925 4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.345 -11.710 6.418 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.474 -11.959 7.735 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.395 -13.767 6.888 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.695 -13.685 8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.556 -15.265 8.934 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.231 -15.792 7.892 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.605 -16.451 8.785 1.00 0.00 H new ATOM 952 N GLY A 66 -4.853 -12.483 2.259 1.00 0.00 N ATOM 953 CA GLY A 66 -5.190 -13.637 1.455 1.00 0.00 C ATOM 954 C GLY A 66 -5.924 -13.258 0.183 1.00 0.00 C ATOM 955 O GLY A 66 -6.176 -14.108 -0.671 1.00 0.00 O ATOM 0 H GLY A 66 -4.566 -11.664 1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.279 -14.177 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.809 -14.317 2.040 1.00 0.00 H new ATOM 959 N ARG A 67 -6.272 -11.979 0.056 1.00 0.00 N ATOM 960 CA ARG A 67 -6.983 -11.497 -1.120 1.00 0.00 C ATOM 961 C ARG A 67 -6.173 -10.435 -1.860 1.00 0.00 C ATOM 962 O ARG A 67 -6.035 -10.489 -3.081 1.00 0.00 O ATOM 963 CB ARG A 67 -8.354 -10.940 -0.727 1.00 0.00 C ATOM 964 CG ARG A 67 -8.358 -10.131 0.563 1.00 0.00 C ATOM 965 CD ARG A 67 -9.729 -10.143 1.223 1.00 0.00 C ATOM 966 NE ARG A 67 -9.664 -10.589 2.613 1.00 0.00 N ATOM 967 CZ ARG A 67 -9.583 -11.865 2.981 1.00 0.00 C ATOM 968 NH1 ARG A 67 -9.561 -12.828 2.067 1.00 0.00 N ATOM 969 NH2 ARG A 67 -9.524 -12.180 4.268 1.00 0.00 N ATOM 0 H ARG A 67 -6.072 -11.261 0.753 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.126 -12.343 -1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.723 -10.311 -1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.054 -11.769 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.618 -10.538 1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.064 -9.103 0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.159 -9.142 1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.395 -10.799 0.663 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.682 -9.879 3.345 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.606 -12.592 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.499 -13.804 2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.541 -11.444 4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.462 -13.158 4.551 1.00 0.00 H new ATOM 983 N PHE A 68 -5.635 -9.473 -1.117 1.00 0.00 N ATOM 984 CA PHE A 68 -4.836 -8.408 -1.715 1.00 0.00 C ATOM 985 C PHE A 68 -3.502 -8.953 -2.221 1.00 0.00 C ATOM 986 O PHE A 68 -2.878 -9.791 -1.569 1.00 0.00 O ATOM 987 CB PHE A 68 -4.597 -7.289 -0.697 1.00 0.00 C ATOM 988 CG PHE A 68 -5.794 -6.402 -0.464 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.060 -6.783 -0.886 1.00 0.00 C ATOM 990 CD2 PHE A 68 -5.648 -5.184 0.181 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.154 -5.967 -0.669 1.00 0.00 C ATOM 992 CE2 PHE A 68 -6.739 -4.363 0.400 1.00 0.00 C ATOM 993 CZ PHE A 68 -7.994 -4.755 -0.025 1.00 0.00 C ATOM 0 H PHE A 68 -5.737 -9.408 -0.104 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.386 -8.002 -2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.298 -7.734 0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.764 -6.674 -1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.192 -7.729 -1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.670 -4.872 0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.133 -6.276 -1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.610 -3.416 0.903 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.848 -4.116 0.146 1.00 0.00 H new ATOM 1003 N THR A 69 -3.070 -8.476 -3.387 1.00 0.00 N ATOM 1004 CA THR A 69 -1.811 -8.924 -3.975 1.00 0.00 C ATOM 1005 C THR A 69 -0.776 -7.805 -3.969 1.00 0.00 C ATOM 1006 O THR A 69 -1.122 -6.625 -3.980 1.00 0.00 O ATOM 1007 CB THR A 69 -2.038 -9.414 -5.405 1.00 0.00 C ATOM 1008 OG1 THR A 69 -3.185 -10.242 -5.475 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.870 -10.201 -5.961 1.00 0.00 C ATOM 0 H THR A 69 -3.572 -7.782 -3.941 1.00 0.00 H new ATOM 0 HA THR A 69 -1.432 -9.748 -3.370 1.00 0.00 H new ATOM 0 HB THR A 69 -2.165 -8.511 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.992 -9.689 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.097 -10.519 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.021 -9.574 -5.967 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.693 -11.078 -5.338 1.00 0.00 H new ATOM 1017 N ILE A 70 0.495 -8.192 -3.948 1.00 0.00 N ATOM 1018 CA ILE A 70 1.592 -7.233 -3.934 1.00 0.00 C ATOM 1019 C ILE A 70 2.729 -7.695 -4.843 1.00 0.00 C ATOM 1020 O ILE A 70 3.053 -8.882 -4.893 1.00 0.00 O ATOM 1021 CB ILE A 70 2.126 -7.039 -2.501 1.00 0.00 C ATOM 1022 CG1 ILE A 70 3.291 -6.044 -2.479 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.545 -8.377 -1.913 1.00 0.00 C ATOM 1024 CD1 ILE A 70 2.977 -4.765 -1.735 1.00 0.00 C ATOM 0 H ILE A 70 0.791 -9.168 -3.940 1.00 0.00 H new ATOM 0 HA ILE A 70 1.207 -6.283 -4.304 1.00 0.00 H new ATOM 0 HB ILE A 70 1.326 -6.625 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.157 -6.520 -2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.570 -5.800 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.921 -8.228 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.686 -9.048 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.329 -8.816 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.846 -4.107 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.131 -4.267 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.727 -4.998 -0.700 1.00 0.00 H new ATOM 1036 N SER A 71 3.332 -6.751 -5.562 1.00 0.00 N ATOM 1037 CA SER A 71 4.431 -7.066 -6.468 1.00 0.00 C ATOM 1038 C SER A 71 5.328 -5.850 -6.679 1.00 0.00 C ATOM 1039 O SER A 71 4.862 -4.788 -7.092 1.00 0.00 O ATOM 1040 CB SER A 71 3.887 -7.555 -7.812 1.00 0.00 C ATOM 1041 OG SER A 71 4.890 -7.519 -8.813 1.00 0.00 O ATOM 0 H SER A 71 3.078 -5.764 -5.534 1.00 0.00 H new ATOM 0 HA SER A 71 5.027 -7.859 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.511 -8.572 -7.707 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.045 -6.933 -8.115 1.00 0.00 H new ATOM 0 HG SER A 71 4.517 -7.838 -9.661 1.00 0.00 H new ATOM 1047 N ARG A 72 6.616 -6.012 -6.392 1.00 0.00 N ATOM 1048 CA ARG A 72 7.576 -4.925 -6.550 1.00 0.00 C ATOM 1049 C ARG A 72 7.882 -4.677 -8.024 1.00 0.00 C ATOM 1050 O ARG A 72 7.622 -5.529 -8.874 1.00 0.00 O ATOM 1051 CB ARG A 72 8.868 -5.243 -5.794 1.00 0.00 C ATOM 1052 CG ARG A 72 9.616 -6.446 -6.347 1.00 0.00 C ATOM 1053 CD ARG A 72 9.439 -7.669 -5.461 1.00 0.00 C ATOM 1054 NE ARG A 72 9.583 -8.913 -6.212 1.00 0.00 N ATOM 1055 CZ ARG A 72 10.756 -9.428 -6.574 1.00 0.00 C ATOM 1056 NH1 ARG A 72 11.887 -8.808 -6.258 1.00 0.00 N ATOM 1057 NH2 ARG A 72 10.799 -10.565 -7.254 1.00 0.00 N ATOM 0 H ARG A 72 7.019 -6.884 -6.049 1.00 0.00 H new ATOM 0 HA ARG A 72 7.133 -4.020 -6.134 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.522 -4.372 -5.827 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.631 -5.424 -4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.257 -6.668 -7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.676 -6.208 -6.433 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.174 -7.644 -4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.455 -7.639 -4.994 1.00 0.00 H new ATOM 0 HE ARG A 72 8.736 -9.417 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.860 -7.933 -5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.783 -9.207 -6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.933 -11.045 -7.500 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.698 -10.960 -7.531 1.00 0.00 H new ATOM 1071 N ASP A 73 8.436 -3.506 -8.320 1.00 0.00 N ATOM 1072 CA ASP A 73 8.778 -3.146 -9.691 1.00 0.00 C ATOM 1073 C ASP A 73 10.215 -3.538 -10.015 1.00 0.00 C ATOM 1074 O ASP A 73 10.514 -3.981 -11.124 1.00 0.00 O ATOM 1075 CB ASP A 73 8.588 -1.645 -9.910 1.00 0.00 C ATOM 1076 CG ASP A 73 8.612 -1.265 -11.377 1.00 0.00 C ATOM 1077 OD1 ASP A 73 8.399 -2.156 -12.225 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.846 -0.075 -11.679 1.00 0.00 O ATOM 0 H ASP A 73 8.658 -2.790 -7.628 1.00 0.00 H new ATOM 0 HA ASP A 73 8.111 -3.692 -10.359 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.639 -1.335 -9.473 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.374 -1.102 -9.384 1.00 0.00 H new ATOM 1083 N ASN A 74 11.103 -3.367 -9.041 1.00 0.00 N ATOM 1084 CA ASN A 74 12.510 -3.700 -9.224 1.00 0.00 C ATOM 1085 C ASN A 74 13.113 -2.889 -10.367 1.00 0.00 C ATOM 1086 O ASN A 74 13.789 -3.433 -11.240 1.00 0.00 O ATOM 1087 CB ASN A 74 12.672 -5.196 -9.499 1.00 0.00 C ATOM 1088 CG ASN A 74 14.007 -5.731 -9.019 1.00 0.00 C ATOM 1089 OD1 ASN A 74 14.895 -6.025 -9.818 1.00 0.00 O ATOM 1090 ND2 ASN A 74 14.154 -5.859 -7.705 1.00 0.00 N ATOM 0 H ASN A 74 10.873 -3.000 -8.118 1.00 0.00 H new ATOM 0 HA ASN A 74 13.041 -3.451 -8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.867 -5.742 -9.007 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.574 -5.379 -10.569 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.030 -6.213 -7.322 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.390 -5.603 -7.079 1.00 0.00 H new ATOM 1097 N ALA A 75 12.861 -1.585 -10.354 1.00 0.00 N ATOM 1098 CA ALA A 75 13.375 -0.697 -11.388 1.00 0.00 C ATOM 1099 C ALA A 75 13.653 0.694 -10.829 1.00 0.00 C ATOM 1100 O ALA A 75 14.788 1.169 -10.857 1.00 0.00 O ATOM 1101 CB ALA A 75 12.394 -0.616 -12.547 1.00 0.00 C ATOM 0 H ALA A 75 12.303 -1.120 -9.638 1.00 0.00 H new ATOM 0 HA ALA A 75 14.317 -1.108 -11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.790 0.051 -13.313 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.249 -1.610 -12.971 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.439 -0.231 -12.189 1.00 0.00 H new ATOM 1107 N LYS A 76 12.609 1.342 -10.322 1.00 0.00 N ATOM 1108 CA LYS A 76 12.741 2.681 -9.758 1.00 0.00 C ATOM 1109 C LYS A 76 12.172 2.735 -8.344 1.00 0.00 C ATOM 1110 O LYS A 76 11.630 3.756 -7.920 1.00 0.00 O ATOM 1111 CB LYS A 76 12.028 3.702 -10.646 1.00 0.00 C ATOM 1112 CG LYS A 76 12.921 4.306 -11.717 1.00 0.00 C ATOM 1113 CD LYS A 76 13.907 5.300 -11.123 1.00 0.00 C ATOM 1114 CE LYS A 76 14.627 6.090 -12.204 1.00 0.00 C ATOM 1115 NZ LYS A 76 14.522 7.559 -11.982 1.00 0.00 N ATOM 0 H LYS A 76 11.663 0.962 -10.290 1.00 0.00 H new ATOM 0 HA LYS A 76 13.802 2.926 -9.712 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.175 3.221 -11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.633 4.502 -10.020 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.466 3.512 -12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.306 4.805 -12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.378 5.986 -10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.637 4.768 -10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.678 5.800 -12.226 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.207 5.839 -13.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.026 8.062 -12.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.521 7.840 -11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.946 7.803 -11.064 1.00 0.00 H new ATOM 1129 N LYS A 77 12.297 1.629 -7.617 1.00 0.00 N ATOM 1130 CA LYS A 77 11.793 1.553 -6.250 1.00 0.00 C ATOM 1131 C LYS A 77 10.281 1.768 -6.222 1.00 0.00 C ATOM 1132 O LYS A 77 9.775 2.632 -5.505 1.00 0.00 O ATOM 1133 CB LYS A 77 12.499 2.590 -5.369 1.00 0.00 C ATOM 1134 CG LYS A 77 13.323 1.974 -4.249 1.00 0.00 C ATOM 1135 CD LYS A 77 12.586 2.026 -2.920 1.00 0.00 C ATOM 1136 CE LYS A 77 12.788 0.749 -2.121 1.00 0.00 C ATOM 1137 NZ LYS A 77 11.623 0.455 -1.240 1.00 0.00 N ATOM 0 H LYS A 77 12.742 0.774 -7.951 1.00 0.00 H new ATOM 0 HA LYS A 77 12.003 0.559 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.149 3.203 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.753 3.256 -4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.557 0.938 -4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.272 2.503 -4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.939 2.879 -2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.522 2.180 -3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.946 -0.085 -2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.689 0.839 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.880 0.644 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.821 1.059 -1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.354 -0.544 -1.343 1.00 0.00 H new ATOM 1151 N THR A 78 9.564 0.973 -7.010 1.00 0.00 N ATOM 1152 CA THR A 78 8.111 1.073 -7.081 1.00 0.00 C ATOM 1153 C THR A 78 7.450 -0.230 -6.646 1.00 0.00 C ATOM 1154 O THR A 78 7.998 -1.315 -6.843 1.00 0.00 O ATOM 1155 CB THR A 78 7.672 1.428 -8.504 1.00 0.00 C ATOM 1156 OG1 THR A 78 8.189 2.690 -8.887 1.00 0.00 O ATOM 1157 CG2 THR A 78 6.167 1.476 -8.678 1.00 0.00 C ATOM 0 H THR A 78 9.966 0.252 -7.609 1.00 0.00 H new ATOM 0 HA THR A 78 7.795 1.864 -6.400 1.00 0.00 H new ATOM 0 HB THR A 78 8.066 0.630 -9.133 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.899 2.899 -9.800 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.928 1.733 -9.710 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.742 0.501 -8.439 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.747 2.228 -8.010 1.00 0.00 H new ATOM 1165 N VAL A 79 6.263 -0.112 -6.062 1.00 0.00 N ATOM 1166 CA VAL A 79 5.514 -1.274 -5.607 1.00 0.00 C ATOM 1167 C VAL A 79 4.106 -1.268 -6.189 1.00 0.00 C ATOM 1168 O VAL A 79 3.497 -0.210 -6.353 1.00 0.00 O ATOM 1169 CB VAL A 79 5.430 -1.327 -4.072 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.819 -1.444 -3.464 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.703 -0.107 -3.527 1.00 0.00 C ATOM 0 H VAL A 79 5.799 0.780 -5.893 1.00 0.00 H new ATOM 0 HA VAL A 79 6.048 -2.158 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 79 4.859 -2.212 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.739 -1.480 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.298 -2.355 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.417 -0.581 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.656 -0.167 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.239 0.796 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.692 -0.075 -3.933 1.00 0.00 H new ATOM 1181 N TYR A 80 3.594 -2.451 -6.505 1.00 0.00 N ATOM 1182 CA TYR A 80 2.259 -2.576 -7.075 1.00 0.00 C ATOM 1183 C TYR A 80 1.422 -3.572 -6.281 1.00 0.00 C ATOM 1184 O TYR A 80 1.781 -4.743 -6.167 1.00 0.00 O ATOM 1185 CB TYR A 80 2.349 -3.014 -8.534 1.00 0.00 C ATOM 1186 CG TYR A 80 3.357 -2.237 -9.332 1.00 0.00 C ATOM 1187 CD1 TYR A 80 3.106 -0.929 -9.717 1.00 0.00 C ATOM 1188 CD2 TYR A 80 4.560 -2.816 -9.709 1.00 0.00 C ATOM 1189 CE1 TYR A 80 4.026 -0.218 -10.456 1.00 0.00 C ATOM 1190 CE2 TYR A 80 5.486 -2.112 -10.446 1.00 0.00 C ATOM 1191 CZ TYR A 80 5.214 -0.815 -10.817 1.00 0.00 C ATOM 1192 OH TYR A 80 6.135 -0.108 -11.555 1.00 0.00 O ATOM 0 H TYR A 80 4.083 -3.337 -6.376 1.00 0.00 H new ATOM 0 HA TYR A 80 1.773 -1.602 -7.025 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.605 -4.073 -8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.369 -2.906 -8.998 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.175 -0.460 -9.433 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.774 -3.834 -9.420 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.817 0.800 -10.750 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.419 -2.575 -10.731 1.00 0.00 H new ATOM 0 HH TYR A 80 5.789 0.791 -11.735 1.00 0.00 H new ATOM 1202 N LEU A 81 0.306 -3.104 -5.734 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.572 -3.964 -4.953 1.00 0.00 C ATOM 1204 C LEU A 81 -1.925 -4.117 -5.640 1.00 0.00 C ATOM 1205 O LEU A 81 -2.661 -3.146 -5.819 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.721 -3.418 -3.521 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.089 -2.834 -3.146 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.273 -2.840 -1.637 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.234 -1.425 -3.693 1.00 0.00 C ATOM 0 H LEU A 81 -0.010 -2.138 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.125 -4.956 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.492 -4.224 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.032 -2.644 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.864 -3.458 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.249 -2.422 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.211 -3.863 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.492 -2.238 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.210 -1.026 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.452 -0.790 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.144 -1.445 -4.779 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.234 -5.348 -6.029 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.484 -5.653 -6.703 1.00 0.00 C ATOM 1223 C GLN A 82 -4.530 -6.149 -5.713 1.00 0.00 C ATOM 1224 O GLN A 82 -4.564 -7.331 -5.372 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.240 -6.707 -7.774 1.00 0.00 C ATOM 1226 CG GLN A 82 -4.135 -6.560 -8.993 1.00 0.00 C ATOM 1227 CD GLN A 82 -3.837 -7.593 -10.062 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -4.587 -8.689 -10.051 1.00 0.00 O flip ATOM 1229 NE2 GLN A 82 -2.944 -7.409 -10.889 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.628 -6.156 -5.886 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.861 -4.741 -7.166 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.198 -6.655 -8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.392 -7.695 -7.340 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.177 -6.649 -8.687 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.010 -5.562 -9.413 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.392 -6.552 -10.861 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.756 -8.114 -11.602 1.00 0.00 H new ATOM 1238 N MET A 83 -5.381 -5.240 -5.253 1.00 0.00 N ATOM 1239 CA MET A 83 -6.426 -5.589 -4.299 1.00 0.00 C ATOM 1240 C MET A 83 -7.618 -6.227 -5.005 1.00 0.00 C ATOM 1241 O MET A 83 -8.497 -5.529 -5.515 1.00 0.00 O ATOM 1242 CB MET A 83 -6.876 -4.349 -3.526 1.00 0.00 C ATOM 1243 CG MET A 83 -5.730 -3.555 -2.936 1.00 0.00 C ATOM 1244 SD MET A 83 -6.137 -1.816 -2.698 1.00 0.00 S ATOM 1245 CE MET A 83 -6.351 -1.283 -4.394 1.00 0.00 C ATOM 0 H MET A 83 -5.368 -4.257 -5.525 1.00 0.00 H new ATOM 0 HA MET A 83 -6.014 -6.314 -3.597 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.449 -3.704 -4.192 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.547 -4.655 -2.723 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.446 -3.992 -1.978 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.863 -3.634 -3.592 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.448 -0.198 -4.425 1.00 0.00 H new ATOM 0 HE2 MET A 83 -5.485 -1.587 -4.983 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.250 -1.740 -4.808 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.640 -7.556 -5.034 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.718 -8.292 -5.671 1.00 0.00 C ATOM 1257 C ASN A 84 -9.832 -8.588 -4.674 1.00 0.00 C ATOM 1258 O ASN A 84 -9.715 -8.273 -3.490 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.199 -9.603 -6.271 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.683 -9.677 -6.348 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -5.989 -9.501 -5.347 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -6.163 -9.940 -7.541 1.00 0.00 N ATOM 0 H ASN A 84 -6.917 -8.145 -4.620 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.118 -7.671 -6.473 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.565 -10.437 -5.673 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.612 -9.723 -7.273 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.151 -10.003 -7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.775 -10.079 -8.345 1.00 0.00 H new ATOM 1269 N SER A 85 -10.907 -9.202 -5.166 1.00 0.00 N ATOM 1270 CA SER A 85 -12.057 -9.559 -4.331 1.00 0.00 C ATOM 1271 C SER A 85 -12.322 -8.508 -3.253 1.00 0.00 C ATOM 1272 O SER A 85 -12.633 -8.841 -2.109 1.00 0.00 O ATOM 1273 CB SER A 85 -11.829 -10.924 -3.683 1.00 0.00 C ATOM 1274 OG SER A 85 -13.057 -11.595 -3.458 1.00 0.00 O ATOM 0 H SER A 85 -11.007 -9.465 -6.146 1.00 0.00 H new ATOM 0 HA SER A 85 -12.934 -9.603 -4.976 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.191 -11.532 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.302 -10.797 -2.737 1.00 0.00 H new ATOM 0 HG SER A 85 -12.883 -12.466 -3.044 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.192 -7.238 -3.626 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.411 -6.140 -2.692 1.00 0.00 C ATOM 1282 C LEU A 86 -13.792 -6.228 -2.051 1.00 0.00 C ATOM 1283 O LEU A 86 -14.670 -6.943 -2.533 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.248 -4.795 -3.407 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.183 -3.873 -2.812 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -9.861 -4.046 -3.543 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -11.639 -2.423 -2.868 1.00 0.00 C ATOM 0 H LEU A 86 -11.936 -6.945 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.664 -6.217 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.002 -4.983 -4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.206 -4.275 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.037 -4.146 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.114 -3.382 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.527 -5.079 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.993 -3.800 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.868 -1.782 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.815 -2.137 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.562 -2.310 -2.299 1.00 0.00 H new ATOM 1299 N LYS A 87 -13.970 -5.495 -0.959 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.240 -5.483 -0.241 1.00 0.00 C ATOM 1301 C LYS A 87 -15.780 -4.060 -0.118 1.00 0.00 C ATOM 1302 O LYS A 87 -15.035 -3.092 -0.265 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.064 -6.096 1.150 1.00 0.00 C ATOM 1304 CG LYS A 87 -14.959 -7.613 1.138 1.00 0.00 C ATOM 1305 CD LYS A 87 -13.514 -8.075 1.265 1.00 0.00 C ATOM 1306 CE LYS A 87 -13.327 -9.011 2.449 1.00 0.00 C ATOM 1307 NZ LYS A 87 -13.218 -10.433 2.023 1.00 0.00 N ATOM 0 H LYS A 87 -13.250 -4.900 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.958 -6.077 -0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.167 -5.682 1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.907 -5.803 1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.547 -8.026 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.386 -8.001 0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.212 -8.582 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.863 -7.208 1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.429 -8.727 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.167 -8.901 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.075 -11.036 2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.092 -10.718 1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.411 -10.541 1.376 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.090 -3.913 0.155 1.00 0.00 N ATOM 1322 CA PRO A 88 -17.722 -2.598 0.297 1.00 0.00 C ATOM 1323 C PRO A 88 -17.403 -1.928 1.631 1.00 0.00 C ATOM 1324 O PRO A 88 -17.911 -0.848 1.932 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.212 -2.919 0.200 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.330 -4.307 0.731 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.056 -5.014 0.345 1.00 0.00 C ATOM 0 HA PRO A 88 -17.368 -1.893 -0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.808 -2.218 0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.565 -2.856 -0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.459 -4.300 1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.199 -4.813 0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.729 -5.704 1.123 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.182 -5.598 -0.567 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.558 -2.575 2.423 1.00 0.00 N ATOM 1336 CA GLU A 89 -16.161 -2.057 3.719 1.00 0.00 C ATOM 1337 C GLU A 89 -14.718 -1.542 3.680 1.00 0.00 C ATOM 1338 O GLU A 89 -14.258 -0.885 4.613 1.00 0.00 O ATOM 1339 CB GLU A 89 -16.314 -3.160 4.768 1.00 0.00 C ATOM 1340 CG GLU A 89 -15.729 -2.809 6.120 1.00 0.00 C ATOM 1341 CD GLU A 89 -16.570 -1.802 6.879 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -17.781 -2.054 7.057 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -16.019 -0.761 7.296 1.00 0.00 O ATOM 0 H GLU A 89 -16.132 -3.470 2.183 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.804 -1.217 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.373 -3.387 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.834 -4.067 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.631 -3.717 6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.725 -2.408 5.983 1.00 0.00 H new ATOM 1350 N ASP A 90 -14.013 -1.836 2.589 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.632 -1.400 2.429 1.00 0.00 C ATOM 1352 C ASP A 90 -12.568 0.068 2.016 1.00 0.00 C ATOM 1353 O ASP A 90 -11.498 0.676 2.017 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.923 -2.266 1.387 1.00 0.00 C ATOM 1355 CG ASP A 90 -11.434 -3.581 1.962 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -10.731 -3.553 2.994 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -11.753 -4.639 1.379 1.00 0.00 O ATOM 0 H ASP A 90 -14.378 -2.375 1.804 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.128 -1.510 3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.605 -2.466 0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.077 -1.715 0.976 1.00 0.00 H new ATOM 1362 N THR A 91 -13.721 0.632 1.663 1.00 0.00 N ATOM 1363 CA THR A 91 -13.805 2.023 1.249 1.00 0.00 C ATOM 1364 C THR A 91 -13.071 2.941 2.226 1.00 0.00 C ATOM 1365 O THR A 91 -13.551 3.195 3.331 1.00 0.00 O ATOM 1366 CB THR A 91 -15.274 2.417 1.144 1.00 0.00 C ATOM 1367 OG1 THR A 91 -15.918 1.653 0.142 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.492 3.881 0.823 1.00 0.00 C ATOM 0 H THR A 91 -14.614 0.139 1.657 1.00 0.00 H new ATOM 0 HA THR A 91 -13.322 2.134 0.278 1.00 0.00 H new ATOM 0 HB THR A 91 -15.696 2.222 2.130 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.761 2.086 -0.108 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.561 4.085 0.764 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.047 4.495 1.606 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.025 4.117 -0.133 1.00 0.00 H new ATOM 1376 N ALA A 92 -11.906 3.435 1.812 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.115 4.324 2.658 1.00 0.00 C ATOM 1378 C ALA A 92 -9.953 4.936 1.885 1.00 0.00 C ATOM 1379 O ALA A 92 -9.748 4.632 0.710 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.600 3.573 3.876 1.00 0.00 C ATOM 0 H ALA A 92 -11.491 3.236 0.902 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.763 5.136 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.012 4.248 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.443 3.191 4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.975 2.740 3.553 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.191 5.798 2.553 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.051 6.449 1.931 1.00 0.00 C ATOM 1388 C VAL A 93 -6.813 5.556 1.988 1.00 0.00 C ATOM 1389 O VAL A 93 -6.220 5.364 3.048 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.768 7.807 2.606 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -7.081 7.633 3.954 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -6.946 8.701 1.690 1.00 0.00 C ATOM 0 H VAL A 93 -9.346 6.060 3.527 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.294 6.626 0.883 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.728 8.290 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.898 8.611 4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.720 7.048 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.132 7.115 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.757 9.654 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.997 8.215 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.494 8.875 0.764 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.431 5.003 0.842 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.278 4.131 0.769 1.00 0.00 C ATOM 1404 C TYR A 94 -3.998 4.943 0.625 1.00 0.00 C ATOM 1405 O TYR A 94 -3.656 5.398 -0.466 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.442 3.175 -0.407 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.113 1.873 -0.034 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.425 1.856 0.424 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.440 0.663 -0.139 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -8.046 0.672 0.768 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -6.055 -0.527 0.203 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.358 -0.517 0.655 1.00 0.00 C ATOM 1413 OH TYR A 94 -7.974 -1.698 0.997 1.00 0.00 O ATOM 0 H TYR A 94 -6.908 5.147 -0.048 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.206 3.555 1.692 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.026 3.666 -1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.461 2.961 -0.831 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.968 2.785 0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.420 0.651 -0.493 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.066 0.677 1.124 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.518 -1.460 0.117 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.739 -2.390 0.344 1.00 0.00 H new ATOM 1423 N THR A 95 -3.299 5.131 1.739 1.00 0.00 N ATOM 1424 CA THR A 95 -2.061 5.900 1.740 1.00 0.00 C ATOM 1425 C THR A 95 -0.843 4.987 1.800 1.00 0.00 C ATOM 1426 O THR A 95 -0.779 4.072 2.620 1.00 0.00 O ATOM 1427 CB THR A 95 -2.041 6.872 2.921 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.287 7.536 3.044 1.00 0.00 O ATOM 1429 CG2 THR A 95 -0.966 7.931 2.805 1.00 0.00 C ATOM 0 H THR A 95 -3.568 4.762 2.651 1.00 0.00 H new ATOM 0 HA THR A 95 -2.019 6.465 0.809 1.00 0.00 H new ATOM 0 HB THR A 95 -1.832 6.259 3.798 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.256 8.152 3.806 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.007 8.587 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.012 7.453 2.757 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.128 8.517 1.900 1.00 0.00 H new ATOM 1437 N CYS A 96 0.122 5.246 0.926 1.00 0.00 N ATOM 1438 CA CYS A 96 1.343 4.452 0.878 1.00 0.00 C ATOM 1439 C CYS A 96 2.409 5.049 1.790 1.00 0.00 C ATOM 1440 O CYS A 96 2.620 6.262 1.804 1.00 0.00 O ATOM 1441 CB CYS A 96 1.865 4.372 -0.558 1.00 0.00 C ATOM 1442 SG CYS A 96 3.460 3.508 -0.729 1.00 0.00 S ATOM 0 H CYS A 96 0.082 6.000 0.241 1.00 0.00 H new ATOM 0 HA CYS A 96 1.113 3.446 1.228 1.00 0.00 H new ATOM 0 HB2 CYS A 96 1.123 3.865 -1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.969 5.383 -0.951 1.00 0.00 H new ATOM 1447 N GLY A 97 3.079 4.190 2.551 1.00 0.00 N ATOM 1448 CA GLY A 97 4.113 4.651 3.453 1.00 0.00 C ATOM 1449 C GLY A 97 5.349 3.777 3.409 1.00 0.00 C ATOM 1450 O GLY A 97 5.374 2.758 2.719 1.00 0.00 O ATOM 0 H GLY A 97 2.923 3.182 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.386 5.675 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.722 4.671 4.470 1.00 0.00 H new ATOM 1454 N ALA A 98 6.376 4.178 4.146 1.00 0.00 N ATOM 1455 CA ALA A 98 7.623 3.427 4.192 1.00 0.00 C ATOM 1456 C ALA A 98 8.080 3.217 5.630 1.00 0.00 C ATOM 1457 O ALA A 98 7.838 4.056 6.497 1.00 0.00 O ATOM 1458 CB ALA A 98 8.699 4.145 3.392 1.00 0.00 C ATOM 0 H ALA A 98 6.370 5.020 4.721 1.00 0.00 H new ATOM 0 HA ALA A 98 7.449 2.447 3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.626 3.573 3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.378 4.240 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.865 5.137 3.813 1.00 0.00 H new ATOM 1464 N GLY A 99 8.741 2.091 5.879 1.00 0.00 N ATOM 1465 CA GLY A 99 9.217 1.795 7.217 1.00 0.00 C ATOM 1466 C GLY A 99 10.722 1.921 7.341 1.00 0.00 C ATOM 1467 O GLY A 99 11.450 1.719 6.369 1.00 0.00 O ATOM 0 H GLY A 99 8.955 1.380 5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.740 2.471 7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.917 0.783 7.490 1.00 0.00 H new ATOM 1471 N GLU A 100 11.190 2.258 8.539 1.00 0.00 N ATOM 1472 CA GLU A 100 12.614 2.412 8.787 1.00 0.00 C ATOM 1473 C GLU A 100 12.973 1.922 10.186 1.00 0.00 C ATOM 1474 O GLU A 100 12.379 2.349 11.176 1.00 0.00 O ATOM 1475 CB GLU A 100 13.020 3.877 8.621 1.00 0.00 C ATOM 1476 CG GLU A 100 14.472 4.145 8.967 1.00 0.00 C ATOM 1477 CD GLU A 100 14.818 5.621 8.939 1.00 0.00 C ATOM 1478 OE1 GLU A 100 14.059 6.398 8.322 1.00 0.00 O ATOM 1479 OE2 GLU A 100 15.848 6.001 9.536 1.00 0.00 O ATOM 0 H GLU A 100 10.600 2.429 9.353 1.00 0.00 H new ATOM 0 HA GLU A 100 13.159 1.808 8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.838 4.182 7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.384 4.496 9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.685 3.745 9.958 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.113 3.612 8.264 1.00 0.00 H new ATOM 1486 N GLY A 101 13.948 1.022 10.260 1.00 0.00 N ATOM 1487 CA GLY A 101 14.370 0.487 11.537 1.00 0.00 C ATOM 1488 C GLY A 101 13.266 -0.272 12.250 1.00 0.00 C ATOM 1489 O GLY A 101 13.362 -0.536 13.449 1.00 0.00 O ATOM 0 H GLY A 101 14.454 0.654 9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.221 -0.177 11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.712 1.304 12.173 1.00 0.00 H new ATOM 1493 N GLY A 102 12.215 -0.625 11.515 1.00 0.00 N ATOM 1494 CA GLY A 102 11.109 -1.354 12.106 1.00 0.00 C ATOM 1495 C GLY A 102 9.884 -0.486 12.327 1.00 0.00 C ATOM 1496 O GLY A 102 8.810 -0.992 12.655 1.00 0.00 O ATOM 0 H GLY A 102 12.111 -0.419 10.522 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.844 -2.190 11.459 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.426 -1.776 13.059 1.00 0.00 H new ATOM 1500 N THR A 103 10.041 0.824 12.152 1.00 0.00 N ATOM 1501 CA THR A 103 8.946 1.757 12.338 1.00 0.00 C ATOM 1502 C THR A 103 8.381 2.191 10.988 1.00 0.00 C ATOM 1503 O THR A 103 8.859 1.758 9.941 1.00 0.00 O ATOM 1504 CB THR A 103 9.454 2.970 13.109 1.00 0.00 C ATOM 1505 OG1 THR A 103 10.296 2.567 14.174 1.00 0.00 O ATOM 1506 CG2 THR A 103 8.357 3.832 13.695 1.00 0.00 C ATOM 0 H THR A 103 10.922 1.259 11.880 1.00 0.00 H new ATOM 0 HA THR A 103 8.149 1.272 12.901 1.00 0.00 H new ATOM 0 HB THR A 103 9.994 3.564 12.372 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.614 3.358 14.657 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.801 4.673 14.227 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.720 4.205 12.893 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.759 3.239 14.387 1.00 0.00 H new ATOM 1514 N TRP A 104 7.368 3.049 11.019 1.00 0.00 N ATOM 1515 CA TRP A 104 6.745 3.544 9.798 1.00 0.00 C ATOM 1516 C TRP A 104 6.296 4.991 9.965 1.00 0.00 C ATOM 1517 O TRP A 104 5.184 5.259 10.420 1.00 0.00 O ATOM 1518 CB TRP A 104 5.553 2.668 9.416 1.00 0.00 C ATOM 1519 CG TRP A 104 5.936 1.254 9.106 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.169 0.256 10.005 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.137 0.685 7.808 1.00 0.00 C ATOM 1522 NE1 TRP A 104 6.498 -0.905 9.346 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.485 -0.666 7.995 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.053 1.185 6.506 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 6.750 -1.522 6.928 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.317 0.336 5.448 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.661 -1.005 5.665 1.00 0.00 C ATOM 0 H TRP A 104 6.960 3.417 11.878 1.00 0.00 H new ATOM 0 HA TRP A 104 7.486 3.502 9.000 1.00 0.00 H new ATOM 0 HB2 TRP A 104 4.831 2.671 10.233 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.055 3.101 8.549 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.105 0.362 11.078 1.00 0.00 H new ATOM 0 HE1 TRP A 104 6.716 -1.798 9.789 1.00 0.00 H new ATOM 0 HE3 TRP A 104 5.786 2.217 6.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.016 -2.556 7.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.257 0.712 4.437 1.00 0.00 H new ATOM 0 HH2 TRP A 104 6.860 -1.644 4.817 1.00 0.00 H new ATOM 1538 N ASP A 105 7.170 5.920 9.594 1.00 0.00 N ATOM 1539 CA ASP A 105 6.869 7.342 9.701 1.00 0.00 C ATOM 1540 C ASP A 105 6.813 8.006 8.324 1.00 0.00 C ATOM 1541 O ASP A 105 6.521 9.196 8.214 1.00 0.00 O ATOM 1542 CB ASP A 105 7.911 8.032 10.576 1.00 0.00 C ATOM 1543 CG ASP A 105 7.694 9.531 10.675 1.00 0.00 C ATOM 1544 OD1 ASP A 105 6.930 9.963 11.564 1.00 0.00 O ATOM 1545 OD2 ASP A 105 8.290 10.271 9.865 1.00 0.00 O ATOM 0 H ASP A 105 8.094 5.713 9.216 1.00 0.00 H new ATOM 0 HA ASP A 105 5.887 7.445 10.162 1.00 0.00 H new ATOM 0 HB2 ASP A 105 7.884 7.599 11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.904 7.839 10.171 1.00 0.00 H new ATOM 1550 N SER A 106 7.094 7.233 7.276 1.00 0.00 N ATOM 1551 CA SER A 106 7.073 7.757 5.915 1.00 0.00 C ATOM 1552 C SER A 106 5.719 7.506 5.258 1.00 0.00 C ATOM 1553 O SER A 106 5.187 6.397 5.311 1.00 0.00 O ATOM 1554 CB SER A 106 8.187 7.117 5.084 1.00 0.00 C ATOM 1555 OG SER A 106 8.961 8.103 4.424 1.00 0.00 O ATOM 0 H SER A 106 7.338 6.245 7.345 1.00 0.00 H new ATOM 0 HA SER A 106 7.239 8.833 5.961 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.829 6.519 5.730 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.753 6.439 4.349 1.00 0.00 H new ATOM 0 HG SER A 106 9.667 7.669 3.901 1.00 0.00 H new ATOM 1561 N TRP A 107 5.167 8.544 4.637 1.00 0.00 N ATOM 1562 CA TRP A 107 3.874 8.436 3.969 1.00 0.00 C ATOM 1563 C TRP A 107 3.901 9.133 2.613 1.00 0.00 C ATOM 1564 O TRP A 107 4.803 9.918 2.323 1.00 0.00 O ATOM 1565 CB TRP A 107 2.772 9.038 4.843 1.00 0.00 C ATOM 1566 CG TRP A 107 2.837 8.593 6.272 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.498 9.212 7.293 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.218 7.432 6.838 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.328 8.507 8.460 1.00 0.00 N ATOM 1570 CE2 TRP A 107 2.546 7.410 8.207 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.418 6.410 6.320 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.102 6.406 9.063 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 0.977 5.413 7.171 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.320 5.418 8.529 1.00 0.00 C ATOM 0 H TRP A 107 5.594 9.469 4.582 1.00 0.00 H new ATOM 0 HA TRP A 107 3.664 7.378 3.809 1.00 0.00 H new ATOM 0 HB2 TRP A 107 2.842 10.125 4.805 1.00 0.00 H new ATOM 0 HB3 TRP A 107 1.801 8.766 4.429 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.071 10.123 7.198 1.00 0.00 H new ATOM 0 HE1 TRP A 107 3.720 8.759 9.367 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.149 6.399 5.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 2.365 6.407 10.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 0.358 4.618 6.782 1.00 0.00 H new ATOM 0 HH2 TRP A 107 0.960 4.625 9.168 1.00 0.00 H new ATOM 1585 N GLY A 108 2.904 8.837 1.787 1.00 0.00 N ATOM 1586 CA GLY A 108 2.827 9.440 0.469 1.00 0.00 C ATOM 1587 C GLY A 108 1.728 10.480 0.371 1.00 0.00 C ATOM 1588 O GLY A 108 1.496 11.239 1.312 1.00 0.00 O ATOM 0 H GLY A 108 2.147 8.190 2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.784 9.903 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.654 8.661 -0.274 1.00 0.00 H new ATOM 1592 N GLN A 109 1.050 10.516 -0.772 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.029 11.472 -0.990 1.00 0.00 C ATOM 1594 C GLN A 109 -1.373 10.880 -0.580 1.00 0.00 C ATOM 1595 O GLN A 109 -2.171 11.534 0.093 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.073 11.898 -2.457 1.00 0.00 C ATOM 1597 CG GLN A 109 -0.945 13.117 -2.710 1.00 0.00 C ATOM 1598 CD GLN A 109 -2.298 12.757 -3.290 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -2.478 12.728 -4.507 1.00 0.00 O ATOM 1600 NE2 GLN A 109 -3.261 12.479 -2.418 1.00 0.00 N ATOM 0 H GLN A 109 1.229 9.894 -1.561 1.00 0.00 H new ATOM 0 HA GLN A 109 0.166 12.347 -0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.941 12.110 -2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.442 11.066 -3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.087 13.657 -1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.429 13.792 -3.393 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.069 12.515 -1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -4.193 12.230 -2.750 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.620 9.640 -0.989 1.00 0.00 N ATOM 1610 CA GLY A 110 -2.870 8.983 -0.655 1.00 0.00 C ATOM 1611 C GLY A 110 -3.738 8.733 -1.872 1.00 0.00 C ATOM 1612 O GLY A 110 -3.641 9.447 -2.870 1.00 0.00 O ATOM 0 H GLY A 110 -0.976 9.078 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.658 8.034 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.419 9.596 0.059 1.00 0.00 H new ATOM 1616 N THR A 111 -4.590 7.716 -1.789 1.00 0.00 N ATOM 1617 CA THR A 111 -5.482 7.372 -2.889 1.00 0.00 C ATOM 1618 C THR A 111 -6.743 6.694 -2.363 1.00 0.00 C ATOM 1619 O THR A 111 -6.704 5.543 -1.933 1.00 0.00 O ATOM 1620 CB THR A 111 -4.767 6.456 -3.886 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.685 5.916 -4.821 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.047 5.298 -3.228 1.00 0.00 C ATOM 0 H THR A 111 -4.681 7.115 -0.970 1.00 0.00 H new ATOM 0 HA THR A 111 -5.769 8.291 -3.400 1.00 0.00 H new ATOM 0 HB THR A 111 -4.028 7.089 -4.378 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.428 6.188 -5.727 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.562 4.690 -3.992 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.295 5.682 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.765 4.688 -2.679 1.00 0.00 H new ATOM 1630 N GLN A 112 -7.858 7.415 -2.389 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.122 6.874 -1.903 1.00 0.00 C ATOM 1632 C GLN A 112 -9.524 5.635 -2.691 1.00 0.00 C ATOM 1633 O GLN A 112 -9.333 5.563 -3.905 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.222 7.946 -1.965 1.00 0.00 C ATOM 1635 CG GLN A 112 -11.649 7.410 -2.027 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.281 7.296 -0.658 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -11.500 6.847 0.314 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.458 7.610 -0.475 1.00 0.00 N flip ATOM 0 H GLN A 112 -7.913 8.371 -2.740 1.00 0.00 H new ATOM 0 HA GLN A 112 -8.990 6.577 -0.863 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.130 8.589 -1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.048 8.572 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.255 8.068 -2.650 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.646 6.431 -2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.022 7.951 -1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.869 7.529 0.455 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.083 4.663 -1.983 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.521 3.422 -2.592 1.00 0.00 C ATOM 1649 C VAL A 113 -12.019 3.232 -2.380 1.00 0.00 C ATOM 1650 O VAL A 113 -12.439 2.620 -1.402 1.00 0.00 O ATOM 1651 CB VAL A 113 -9.756 2.231 -1.985 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -10.400 0.904 -2.367 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.297 2.263 -2.413 1.00 0.00 C ATOM 0 H VAL A 113 -10.243 4.715 -0.977 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.315 3.469 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.803 2.321 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.836 0.084 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.426 0.879 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.400 0.798 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.771 1.415 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.235 2.207 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.838 3.190 -2.071 1.00 0.00 H new ATOM 1663 N THR A 114 -12.817 3.771 -3.296 1.00 0.00 N ATOM 1664 CA THR A 114 -14.268 3.669 -3.200 1.00 0.00 C ATOM 1665 C THR A 114 -14.752 2.282 -3.609 1.00 0.00 C ATOM 1666 O THR A 114 -14.344 1.749 -4.641 1.00 0.00 O ATOM 1667 CB THR A 114 -14.933 4.730 -4.078 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.476 6.025 -3.732 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.443 4.733 -3.973 1.00 0.00 C ATOM 0 H THR A 114 -12.483 4.283 -4.113 1.00 0.00 H new ATOM 0 HA THR A 114 -14.547 3.836 -2.160 1.00 0.00 H new ATOM 0 HB THR A 114 -14.656 4.474 -5.101 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.114 6.695 -4.057 1.00 0.00 H new ATOM 0 HG21 THR A 114 -16.851 5.509 -4.621 1.00 0.00 H new ATOM 0 HG22 THR A 114 -16.831 3.762 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 114 -16.736 4.930 -2.942 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.631 1.707 -2.794 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.180 0.389 -3.067 1.00 0.00 C ATOM 1679 C VAL A 115 -17.632 0.314 -2.612 1.00 0.00 C ATOM 1680 O VAL A 115 -18.063 1.073 -1.743 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.378 -0.736 -2.374 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -15.208 -1.921 -3.311 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.022 -0.233 -1.894 1.00 0.00 C ATOM 0 H VAL A 115 -15.978 2.137 -1.937 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.115 0.240 -4.145 1.00 0.00 H new ATOM 0 HB VAL A 115 -15.941 -1.061 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -14.641 -2.704 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.188 -2.306 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.673 -1.603 -4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.482 -1.047 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.446 0.129 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.167 0.579 -1.182 1.00 0.00 H new ATOM 1693 N SER A 116 -18.379 -0.603 -3.207 1.00 0.00 N ATOM 1694 CA SER A 116 -19.789 -0.787 -2.873 1.00 0.00 C ATOM 1695 C SER A 116 -20.452 -1.771 -3.832 1.00 0.00 C ATOM 1696 O SER A 116 -19.870 -2.151 -4.848 1.00 0.00 O ATOM 1697 CB SER A 116 -20.528 0.554 -2.915 1.00 0.00 C ATOM 1698 OG SER A 116 -20.565 1.157 -1.633 1.00 0.00 O ATOM 0 H SER A 116 -18.033 -1.236 -3.928 1.00 0.00 H new ATOM 0 HA SER A 116 -19.844 -1.194 -1.863 1.00 0.00 H new ATOM 0 HB2 SER A 116 -20.035 1.223 -3.621 1.00 0.00 H new ATOM 0 HB3 SER A 116 -21.544 0.401 -3.278 1.00 0.00 H new ATOM 0 HG SER A 116 -19.677 1.107 -1.222 1.00 0.00 H new ATOM 1704 N SER A 117 -21.674 -2.178 -3.502 1.00 0.00 N ATOM 1705 CA SER A 117 -22.418 -3.118 -4.333 1.00 0.00 C ATOM 1706 C SER A 117 -22.704 -2.523 -5.708 1.00 0.00 C ATOM 1707 O SER A 117 -22.328 -1.354 -5.935 1.00 0.00 O ATOM 1708 CB SER A 117 -23.732 -3.505 -3.651 1.00 0.00 C ATOM 1709 OG SER A 117 -23.510 -4.443 -2.612 1.00 0.00 O ATOM 1710 OXT SER A 117 -23.301 -3.231 -6.546 1.00 0.00 O ATOM 0 H SER A 117 -22.170 -1.871 -2.665 1.00 0.00 H new ATOM 0 HA SER A 117 -21.806 -4.010 -4.463 1.00 0.00 H new ATOM 0 HB2 SER A 117 -24.211 -2.614 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 117 -24.417 -3.927 -4.387 1.00 0.00 H new ATOM 0 HG SER A 117 -24.364 -4.673 -2.191 1.00 0.00 H new TER 1716 SER A 117