USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 663 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 38 ASN : amide:sc= 1.97 K(o=3.2,f=-6.7!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 179:sc= 1.18 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0682) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.00412 K(o=0.0041,f=-1.3) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.01) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= 1.05 K(o=1,f=-6.2!) USER MOD Single : A 27 HIS : +bothHN:sc= -0.268 K(o=-0.27,f=-1.9) USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= 1.22 (180deg=1.05) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0343 F(o=-0.82,f=-0.034) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.23) USER MOD Single : A 57 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.17) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 1.09 K(o=1.1,f=-0.22) USER MOD Single : A 72 SER OG : rot 180:sc=7.73e-05 USER MOD Single : A 74 GLN : amide:sc= -0.628 X(o=-0.63,f=-0.48) USER MOD Single : A 75 THR OG1 : rot 151:sc= -1.71! USER MOD Single : A 80 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -11.824 7.790 -5.539 1.00 0.00 N ATOM 2 CA GLY A 2 -11.151 8.007 -4.270 1.00 0.00 C ATOM 3 C GLY A 2 -9.743 7.519 -4.370 1.00 0.00 C ATOM 4 O GLY A 2 -9.309 7.171 -5.467 1.00 0.00 O ATOM 0 HA2 GLY A 2 -11.164 9.067 -4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.675 7.481 -3.472 1.00 0.00 H new ATOM 10 N ILE A 3 -9.030 7.521 -3.244 1.00 0.00 N ATOM 11 CA ILE A 3 -7.632 7.027 -3.052 1.00 0.00 C ATOM 12 C ILE A 3 -6.519 7.694 -3.950 1.00 0.00 C ATOM 13 O ILE A 3 -5.398 7.906 -3.495 1.00 0.00 O ATOM 14 CB ILE A 3 -7.519 5.440 -3.009 1.00 0.00 C ATOM 15 CG1 ILE A 3 -6.177 4.987 -2.427 1.00 0.00 C ATOM 16 CG2 ILE A 3 -7.729 4.784 -4.373 1.00 0.00 C ATOM 17 CD1 ILE A 3 -5.963 5.368 -0.983 1.00 0.00 C ATOM 0 H ILE A 3 -9.422 7.887 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.395 7.391 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.327 5.111 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.102 3.903 -2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.373 5.414 -3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.639 3.702 -4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.722 5.033 -4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.976 5.148 -5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.989 5.008 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.002 6.453 -0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.743 4.919 -0.369 1.00 0.00 H new ATOM 29 N LYS A 4 -6.840 8.057 -5.178 1.00 0.00 N ATOM 30 CA LYS A 4 -5.872 8.661 -6.099 1.00 0.00 C ATOM 31 C LYS A 4 -5.548 10.106 -5.691 1.00 0.00 C ATOM 32 O LYS A 4 -4.494 10.640 -6.029 1.00 0.00 O ATOM 33 CB LYS A 4 -6.413 8.593 -7.547 1.00 0.00 C ATOM 34 CG LYS A 4 -5.464 9.118 -8.630 1.00 0.00 C ATOM 35 CD LYS A 4 -4.160 8.329 -8.665 1.00 0.00 C ATOM 36 CE LYS A 4 -3.246 8.791 -9.791 1.00 0.00 C ATOM 37 NZ LYS A 4 -2.837 10.204 -9.651 1.00 0.00 N ATOM 0 H LYS A 4 -7.774 7.945 -5.572 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.941 8.096 -6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.660 7.556 -7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.342 9.160 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.952 9.058 -9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.248 10.170 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.644 8.438 -7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.381 7.269 -8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.357 8.160 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.756 8.658 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.137 10.437 -10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.669 10.819 -9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.416 10.352 -8.712 1.00 0.00 H new ATOM 51 N GLN A 5 -6.442 10.696 -4.921 1.00 0.00 N ATOM 52 CA GLN A 5 -6.314 12.084 -4.453 1.00 0.00 C ATOM 53 C GLN A 5 -5.372 12.216 -3.238 1.00 0.00 C ATOM 54 O GLN A 5 -5.230 13.301 -2.662 1.00 0.00 O ATOM 55 CB GLN A 5 -7.700 12.648 -4.127 1.00 0.00 C ATOM 56 CG GLN A 5 -8.470 11.837 -3.095 1.00 0.00 C ATOM 57 CD GLN A 5 -9.878 12.343 -2.891 1.00 0.00 C ATOM 58 OE1 GLN A 5 -10.130 13.190 -2.048 1.00 0.00 O ATOM 59 NE2 GLN A 5 -10.797 11.847 -3.676 1.00 0.00 N ATOM 0 H GLN A 5 -7.289 10.231 -4.594 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.863 12.663 -5.259 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.589 13.669 -3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.286 12.699 -5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.505 10.794 -3.410 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.937 11.865 -2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.549 11.141 -4.369 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.762 12.166 -3.596 1.00 0.00 H new ATOM 68 N TYR A 6 -4.740 11.130 -2.860 1.00 0.00 N ATOM 69 CA TYR A 6 -3.820 11.130 -1.729 1.00 0.00 C ATOM 70 C TYR A 6 -2.436 11.444 -2.221 1.00 0.00 C ATOM 71 O TYR A 6 -1.947 10.781 -3.130 1.00 0.00 O ATOM 72 CB TYR A 6 -3.768 9.751 -1.037 1.00 0.00 C ATOM 73 CG TYR A 6 -5.040 9.275 -0.361 1.00 0.00 C ATOM 74 CD1 TYR A 6 -6.278 9.619 -0.840 1.00 0.00 C ATOM 75 CD2 TYR A 6 -4.983 8.442 0.749 1.00 0.00 C ATOM 76 CE1 TYR A 6 -7.412 9.172 -0.256 1.00 0.00 C ATOM 77 CE2 TYR A 6 -6.134 7.985 1.353 1.00 0.00 C ATOM 78 CZ TYR A 6 -7.350 8.360 0.839 1.00 0.00 C ATOM 79 OH TYR A 6 -8.515 7.904 1.403 1.00 0.00 O ATOM 0 H TYR A 6 -4.842 10.225 -3.318 1.00 0.00 H new ATOM 0 HA TYR A 6 -4.173 11.875 -1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.481 9.008 -1.781 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.975 9.776 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.349 10.262 -1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.022 8.148 1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.372 9.459 -0.658 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.080 7.341 2.218 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.305 7.336 2.174 1.00 0.00 H new ATOM 89 N SER A 7 -1.818 12.444 -1.660 1.00 0.00 N ATOM 90 CA SER A 7 -0.452 12.767 -1.996 1.00 0.00 C ATOM 91 C SER A 7 0.457 11.636 -1.461 1.00 0.00 C ATOM 92 O SER A 7 0.047 10.891 -0.548 1.00 0.00 O ATOM 93 CB SER A 7 -0.100 14.109 -1.370 1.00 0.00 C ATOM 94 OG SER A 7 -1.073 15.098 -1.725 1.00 0.00 O ATOM 0 H SER A 7 -2.239 13.057 -0.962 1.00 0.00 H new ATOM 0 HA SER A 7 -0.313 12.847 -3.074 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.052 14.010 -0.286 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.888 14.425 -1.705 1.00 0.00 H new ATOM 0 HG SER A 7 -0.834 15.955 -1.314 1.00 0.00 H new ATOM 100 N GLN A 8 1.674 11.499 -1.997 1.00 0.00 N ATOM 101 CA GLN A 8 2.530 10.380 -1.605 1.00 0.00 C ATOM 102 C GLN A 8 2.841 10.385 -0.117 1.00 0.00 C ATOM 103 O GLN A 8 2.939 9.339 0.471 1.00 0.00 O ATOM 104 CB GLN A 8 3.835 10.274 -2.403 1.00 0.00 C ATOM 105 CG GLN A 8 4.788 11.423 -2.201 1.00 0.00 C ATOM 106 CD GLN A 8 6.233 10.978 -2.277 1.00 0.00 C ATOM 107 OE1 GLN A 8 6.813 10.594 -1.270 1.00 0.00 O ATOM 108 NE2 GLN A 8 6.824 11.010 -3.429 1.00 0.00 N ATOM 0 H GLN A 8 2.079 12.133 -2.686 1.00 0.00 H new ATOM 0 HA GLN A 8 1.937 9.498 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.340 9.348 -2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.593 10.202 -3.463 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.603 12.186 -2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.601 11.884 -1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.318 11.334 -4.253 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.796 10.711 -3.512 1.00 0.00 H new ATOM 117 N GLU A 9 2.962 11.570 0.468 1.00 0.00 N ATOM 118 CA GLU A 9 3.268 11.750 1.887 1.00 0.00 C ATOM 119 C GLU A 9 2.273 10.981 2.749 1.00 0.00 C ATOM 120 O GLU A 9 2.665 10.287 3.696 1.00 0.00 O ATOM 121 CB GLU A 9 3.236 13.237 2.300 1.00 0.00 C ATOM 122 CG GLU A 9 3.988 14.198 1.384 1.00 0.00 C ATOM 123 CD GLU A 9 3.180 14.619 0.171 1.00 0.00 C ATOM 124 OE1 GLU A 9 3.129 13.880 -0.822 1.00 0.00 O ATOM 125 OE2 GLU A 9 2.582 15.715 0.205 1.00 0.00 O ATOM 0 H GLU A 9 2.849 12.449 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 9 4.276 11.366 2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.195 13.557 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.650 13.324 3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.270 15.085 1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.912 13.725 1.051 1.00 0.00 H new ATOM 132 N GLU A 10 0.998 11.099 2.382 1.00 0.00 N ATOM 133 CA GLU A 10 -0.118 10.420 3.047 1.00 0.00 C ATOM 134 C GLU A 10 0.127 8.917 3.011 1.00 0.00 C ATOM 135 O GLU A 10 0.194 8.222 4.037 1.00 0.00 O ATOM 136 CB GLU A 10 -1.405 10.730 2.240 1.00 0.00 C ATOM 137 CG GLU A 10 -2.685 10.105 2.776 1.00 0.00 C ATOM 138 CD GLU A 10 -3.151 10.733 4.055 1.00 0.00 C ATOM 139 OE1 GLU A 10 -2.407 10.705 5.037 1.00 0.00 O ATOM 140 OE2 GLU A 10 -4.285 11.266 4.093 1.00 0.00 O ATOM 0 H GLU A 10 0.704 11.681 1.598 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.213 10.755 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.538 11.811 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.259 10.392 1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.470 10.197 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.522 9.040 2.939 1.00 0.00 H new ATOM 147 N LEU A 11 0.341 8.467 1.810 1.00 0.00 N ATOM 148 CA LEU A 11 0.533 7.084 1.461 1.00 0.00 C ATOM 149 C LEU A 11 1.828 6.511 2.072 1.00 0.00 C ATOM 150 O LEU A 11 1.937 5.312 2.288 1.00 0.00 O ATOM 151 CB LEU A 11 0.556 7.023 -0.056 1.00 0.00 C ATOM 152 CG LEU A 11 -0.694 7.613 -0.735 1.00 0.00 C ATOM 153 CD1 LEU A 11 -0.466 7.861 -2.200 1.00 0.00 C ATOM 154 CD2 LEU A 11 -1.881 6.700 -0.551 1.00 0.00 C ATOM 0 H LEU A 11 0.390 9.086 1.001 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.273 6.470 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.436 7.556 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.665 5.983 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.899 8.570 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.370 8.277 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.357 8.565 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.219 6.921 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.754 7.135 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.665 5.728 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.083 6.576 0.513 1.00 0.00 H new ATOM 166 N LYS A 12 2.800 7.379 2.305 1.00 0.00 N ATOM 167 CA LYS A 12 4.078 7.030 2.930 1.00 0.00 C ATOM 168 C LYS A 12 3.911 6.729 4.414 1.00 0.00 C ATOM 169 O LYS A 12 4.536 5.806 4.935 1.00 0.00 O ATOM 170 CB LYS A 12 5.090 8.177 2.756 1.00 0.00 C ATOM 171 CG LYS A 12 5.694 8.331 1.365 1.00 0.00 C ATOM 172 CD LYS A 12 6.739 7.267 1.071 1.00 0.00 C ATOM 173 CE LYS A 12 7.336 7.466 -0.313 1.00 0.00 C ATOM 174 NZ LYS A 12 8.522 6.615 -0.545 1.00 0.00 N ATOM 0 H LYS A 12 2.727 8.367 2.062 1.00 0.00 H new ATOM 0 HA LYS A 12 4.449 6.133 2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.598 9.112 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.902 8.030 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.902 8.275 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.148 9.318 1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.528 7.308 1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.286 6.278 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.580 7.244 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.613 8.513 -0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.961 6.872 -1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.207 6.758 0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.233 5.616 -0.571 1.00 0.00 H new ATOM 188 N GLU A 13 3.070 7.499 5.088 1.00 0.00 N ATOM 189 CA GLU A 13 2.888 7.320 6.520 1.00 0.00 C ATOM 190 C GLU A 13 1.976 6.169 6.813 1.00 0.00 C ATOM 191 O GLU A 13 2.242 5.357 7.699 1.00 0.00 O ATOM 192 CB GLU A 13 2.337 8.576 7.182 1.00 0.00 C ATOM 193 CG GLU A 13 3.258 9.763 7.116 1.00 0.00 C ATOM 194 CD GLU A 13 4.635 9.452 7.640 1.00 0.00 C ATOM 195 OE1 GLU A 13 4.763 8.888 8.739 1.00 0.00 O ATOM 196 OE2 GLU A 13 5.618 9.768 6.952 1.00 0.00 O ATOM 0 H GLU A 13 2.510 8.244 4.673 1.00 0.00 H new ATOM 0 HA GLU A 13 3.875 7.111 6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.391 8.838 6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.120 8.357 8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.334 10.103 6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.830 10.584 7.692 1.00 0.00 H new ATOM 203 N MET A 14 0.915 6.088 6.069 1.00 0.00 N ATOM 204 CA MET A 14 -0.070 5.077 6.300 1.00 0.00 C ATOM 205 C MET A 14 0.348 3.777 5.683 1.00 0.00 C ATOM 206 O MET A 14 1.024 3.762 4.647 1.00 0.00 O ATOM 207 CB MET A 14 -1.442 5.534 5.814 1.00 0.00 C ATOM 208 CG MET A 14 -1.919 6.775 6.547 1.00 0.00 C ATOM 209 SD MET A 14 -1.998 6.510 8.337 1.00 0.00 S ATOM 210 CE MET A 14 -2.380 8.161 8.920 1.00 0.00 C ATOM 0 H MET A 14 0.709 6.715 5.291 1.00 0.00 H new ATOM 0 HA MET A 14 -0.152 4.910 7.374 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.398 5.739 4.744 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.164 4.729 5.955 1.00 0.00 H new ATOM 0 HG2 MET A 14 -1.246 7.605 6.332 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.904 7.059 6.178 1.00 0.00 H new ATOM 0 HE1 MET A 14 -2.459 8.154 10.007 1.00 0.00 H new ATOM 0 HE2 MET A 14 -1.587 8.846 8.619 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.326 8.489 8.489 1.00 0.00 H new ATOM 220 N ALA A 15 -0.004 2.695 6.341 1.00 0.00 N ATOM 221 CA ALA A 15 0.341 1.362 5.892 1.00 0.00 C ATOM 222 C ALA A 15 -0.257 1.098 4.530 1.00 0.00 C ATOM 223 O ALA A 15 -1.437 1.401 4.289 1.00 0.00 O ATOM 224 CB ALA A 15 -0.134 0.333 6.892 1.00 0.00 C ATOM 0 H ALA A 15 -0.541 2.714 7.208 1.00 0.00 H new ATOM 0 HA ALA A 15 1.426 1.288 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.132 -0.664 6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.339 0.517 7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.216 0.403 7.000 1.00 0.00 H new ATOM 230 N LEU A 16 0.526 0.532 3.637 1.00 0.00 N ATOM 231 CA LEU A 16 0.056 0.332 2.289 1.00 0.00 C ATOM 232 C LEU A 16 -1.027 -0.734 2.180 1.00 0.00 C ATOM 233 O LEU A 16 -1.721 -0.792 1.174 1.00 0.00 O ATOM 234 CB LEU A 16 1.168 0.210 1.205 1.00 0.00 C ATOM 235 CG LEU A 16 2.078 -1.025 1.168 1.00 0.00 C ATOM 236 CD1 LEU A 16 2.989 -0.945 -0.045 1.00 0.00 C ATOM 237 CD2 LEU A 16 2.914 -1.165 2.429 1.00 0.00 C ATOM 0 H LEU A 16 1.476 0.208 3.818 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.430 1.276 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.681 0.282 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.813 1.083 1.304 1.00 0.00 H new ATOM 0 HG LEU A 16 1.438 -1.905 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.636 -1.822 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.385 -0.911 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.600 -0.045 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.540 -2.054 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.546 -0.285 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.256 -1.257 3.293 1.00 0.00 H new ATOM 249 N VAL A 17 -1.195 -1.559 3.220 1.00 0.00 N ATOM 250 CA VAL A 17 -2.322 -2.493 3.264 1.00 0.00 C ATOM 251 C VAL A 17 -3.660 -1.715 3.339 1.00 0.00 C ATOM 252 O VAL A 17 -4.661 -2.123 2.742 1.00 0.00 O ATOM 253 CB VAL A 17 -2.207 -3.531 4.436 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.244 -2.868 5.808 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.279 -4.603 4.328 1.00 0.00 C ATOM 0 H VAL A 17 -0.575 -1.598 4.029 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.297 -3.071 2.340 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.231 -4.006 4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.161 -3.630 6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.413 -2.169 5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.185 -2.330 5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.174 -5.307 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.264 -4.138 4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.169 -5.133 3.382 1.00 0.00 H new ATOM 265 N GLU A 18 -3.642 -0.553 4.002 1.00 0.00 N ATOM 266 CA GLU A 18 -4.841 0.280 4.124 1.00 0.00 C ATOM 267 C GLU A 18 -5.128 0.892 2.761 1.00 0.00 C ATOM 268 O GLU A 18 -6.269 1.001 2.319 1.00 0.00 O ATOM 269 CB GLU A 18 -4.616 1.419 5.130 1.00 0.00 C ATOM 270 CG GLU A 18 -4.093 0.995 6.496 1.00 0.00 C ATOM 271 CD GLU A 18 -4.966 -0.006 7.201 1.00 0.00 C ATOM 272 OE1 GLU A 18 -6.204 0.173 7.239 1.00 0.00 O ATOM 273 OE2 GLU A 18 -4.423 -0.977 7.780 1.00 0.00 O ATOM 0 H GLU A 18 -2.814 -0.171 4.460 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.671 -0.335 4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.913 2.130 4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.559 1.948 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.096 0.572 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.991 1.879 7.125 1.00 0.00 H new ATOM 280 N ILE A 19 -4.056 1.249 2.093 1.00 0.00 N ATOM 281 CA ILE A 19 -4.109 1.856 0.781 1.00 0.00 C ATOM 282 C ILE A 19 -4.665 0.836 -0.218 1.00 0.00 C ATOM 283 O ILE A 19 -5.592 1.129 -0.991 1.00 0.00 O ATOM 284 CB ILE A 19 -2.685 2.313 0.349 1.00 0.00 C ATOM 285 CG1 ILE A 19 -2.038 3.206 1.441 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.701 3.020 -0.999 1.00 0.00 C ATOM 287 CD1 ILE A 19 -2.880 4.381 1.897 1.00 0.00 C ATOM 0 H ILE A 19 -3.108 1.125 2.450 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.759 2.731 0.806 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.075 1.417 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.810 2.585 2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.089 3.585 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.688 3.323 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.088 2.343 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.339 3.902 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.340 4.941 2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.087 5.032 1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.820 4.016 2.312 1.00 0.00 H new ATOM 299 N ALA A 20 -4.114 -0.369 -0.151 1.00 0.00 N ATOM 300 CA ALA A 20 -4.547 -1.495 -0.957 1.00 0.00 C ATOM 301 C ALA A 20 -6.029 -1.769 -0.732 1.00 0.00 C ATOM 302 O ALA A 20 -6.769 -2.033 -1.680 1.00 0.00 O ATOM 303 CB ALA A 20 -3.713 -2.726 -0.638 1.00 0.00 C ATOM 0 H ALA A 20 -3.341 -0.591 0.476 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.402 -1.249 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.050 -3.562 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.664 -2.520 -0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.827 -2.979 0.416 1.00 0.00 H new ATOM 309 N HIS A 21 -6.456 -1.663 0.530 1.00 0.00 N ATOM 310 CA HIS A 21 -7.859 -1.817 0.910 1.00 0.00 C ATOM 311 C HIS A 21 -8.739 -0.881 0.084 1.00 0.00 C ATOM 312 O HIS A 21 -9.776 -1.299 -0.425 1.00 0.00 O ATOM 313 CB HIS A 21 -8.043 -1.521 2.420 1.00 0.00 C ATOM 314 CG HIS A 21 -9.465 -1.607 2.923 1.00 0.00 C ATOM 315 ND1 HIS A 21 -10.346 -0.550 2.902 1.00 0.00 N ATOM 316 CD2 HIS A 21 -10.149 -2.640 3.450 1.00 0.00 C ATOM 317 CE1 HIS A 21 -11.499 -0.925 3.384 1.00 0.00 C ATOM 318 NE2 HIS A 21 -11.412 -2.193 3.727 1.00 0.00 N ATOM 0 H HIS A 21 -5.836 -1.468 1.316 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.159 -2.846 0.713 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.430 -2.221 2.988 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.661 -0.521 2.627 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -10.130 0.387 2.561 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.771 -3.637 3.622 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.375 -0.302 3.484 1.00 0.00 H new ATOM 327 N GLU A 22 -8.301 0.358 -0.075 1.00 0.00 N ATOM 328 CA GLU A 22 -9.074 1.341 -0.819 1.00 0.00 C ATOM 329 C GLU A 22 -9.175 0.995 -2.310 1.00 0.00 C ATOM 330 O GLU A 22 -10.227 1.225 -2.924 1.00 0.00 O ATOM 331 CB GLU A 22 -8.556 2.761 -0.615 1.00 0.00 C ATOM 332 CG GLU A 22 -8.494 3.195 0.844 1.00 0.00 C ATOM 333 CD GLU A 22 -9.777 2.932 1.595 1.00 0.00 C ATOM 334 OE1 GLU A 22 -10.722 3.721 1.500 1.00 0.00 O ATOM 335 OE2 GLU A 22 -9.837 1.923 2.322 1.00 0.00 O ATOM 0 H GLU A 22 -7.418 0.706 0.299 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.083 1.304 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.559 2.839 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.197 3.453 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.676 2.670 1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.264 4.259 0.891 1.00 0.00 H new ATOM 342 N LEU A 23 -8.101 0.413 -2.900 1.00 0.00 N ATOM 343 CA LEU A 23 -8.181 -0.041 -4.318 1.00 0.00 C ATOM 344 C LEU A 23 -9.317 -1.025 -4.481 1.00 0.00 C ATOM 345 O LEU A 23 -10.164 -0.888 -5.371 1.00 0.00 O ATOM 346 CB LEU A 23 -6.890 -0.733 -4.866 1.00 0.00 C ATOM 347 CG LEU A 23 -5.676 0.127 -5.257 1.00 0.00 C ATOM 348 CD1 LEU A 23 -6.078 1.287 -6.156 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.919 0.606 -4.054 1.00 0.00 C ATOM 0 H LEU A 23 -7.204 0.250 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.329 0.875 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.556 -1.445 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.177 -1.311 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.003 -0.514 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.195 1.872 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.533 0.900 -7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.794 1.921 -5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.070 1.209 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.576 1.209 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.560 -0.251 -3.485 1.00 0.00 H new ATOM 361 N PHE A 24 -9.356 -1.984 -3.589 1.00 0.00 N ATOM 362 CA PHE A 24 -10.331 -3.045 -3.661 1.00 0.00 C ATOM 363 C PHE A 24 -11.710 -2.611 -3.220 1.00 0.00 C ATOM 364 O PHE A 24 -12.690 -3.212 -3.607 1.00 0.00 O ATOM 365 CB PHE A 24 -9.849 -4.279 -2.919 1.00 0.00 C ATOM 366 CG PHE A 24 -8.609 -4.833 -3.528 1.00 0.00 C ATOM 367 CD1 PHE A 24 -8.669 -5.493 -4.722 1.00 0.00 C ATOM 368 CD2 PHE A 24 -7.389 -4.669 -2.927 1.00 0.00 C ATOM 369 CE1 PHE A 24 -7.537 -5.982 -5.312 1.00 0.00 C ATOM 370 CE2 PHE A 24 -6.244 -5.161 -3.508 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.324 -5.819 -4.707 1.00 0.00 C ATOM 0 H PHE A 24 -8.717 -2.052 -2.797 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.433 -3.311 -4.713 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.662 -4.027 -1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.631 -5.039 -2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.624 -5.631 -5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.326 -4.146 -1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.602 -6.498 -6.258 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.288 -5.030 -3.023 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.430 -6.208 -5.172 1.00 0.00 H new ATOM 381 N GLU A 25 -11.784 -1.581 -2.423 1.00 0.00 N ATOM 382 CA GLU A 25 -13.068 -1.034 -2.030 1.00 0.00 C ATOM 383 C GLU A 25 -13.699 -0.293 -3.214 1.00 0.00 C ATOM 384 O GLU A 25 -14.869 -0.491 -3.527 1.00 0.00 O ATOM 385 CB GLU A 25 -12.926 -0.114 -0.805 1.00 0.00 C ATOM 386 CG GLU A 25 -14.244 0.470 -0.296 1.00 0.00 C ATOM 387 CD GLU A 25 -15.270 -0.596 0.026 1.00 0.00 C ATOM 388 OE1 GLU A 25 -15.077 -1.349 0.991 1.00 0.00 O ATOM 389 OE2 GLU A 25 -16.285 -0.715 -0.711 1.00 0.00 O ATOM 0 H GLU A 25 -10.976 -1.099 -2.030 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.727 -1.853 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.456 -0.675 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.253 0.706 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.052 1.065 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.652 1.146 -1.048 1.00 0.00 H new ATOM 396 N GLU A 26 -12.903 0.521 -3.888 1.00 0.00 N ATOM 397 CA GLU A 26 -13.382 1.291 -5.025 1.00 0.00 C ATOM 398 C GLU A 26 -13.636 0.393 -6.242 1.00 0.00 C ATOM 399 O GLU A 26 -14.714 0.417 -6.840 1.00 0.00 O ATOM 400 CB GLU A 26 -12.366 2.382 -5.399 1.00 0.00 C ATOM 401 CG GLU A 26 -12.786 3.228 -6.593 1.00 0.00 C ATOM 402 CD GLU A 26 -11.742 4.225 -7.012 1.00 0.00 C ATOM 403 OE1 GLU A 26 -10.881 3.890 -7.868 1.00 0.00 O ATOM 404 OE2 GLU A 26 -11.770 5.361 -6.531 1.00 0.00 O ATOM 0 H GLU A 26 -11.918 0.666 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.325 1.754 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.214 3.034 -4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.407 1.913 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.010 2.572 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.707 3.758 -6.348 1.00 0.00 H new ATOM 411 N HIS A 27 -12.643 -0.405 -6.586 1.00 0.00 N ATOM 412 CA HIS A 27 -12.696 -1.210 -7.806 1.00 0.00 C ATOM 413 C HIS A 27 -13.483 -2.494 -7.608 1.00 0.00 C ATOM 414 O HIS A 27 -14.220 -2.906 -8.488 1.00 0.00 O ATOM 415 CB HIS A 27 -11.268 -1.513 -8.344 1.00 0.00 C ATOM 416 CG HIS A 27 -10.479 -0.273 -8.695 1.00 0.00 C ATOM 417 ND1 HIS A 27 -9.095 -0.182 -8.638 1.00 0.00 N ATOM 418 CD2 HIS A 27 -10.908 0.951 -9.062 1.00 0.00 C ATOM 419 CE1 HIS A 27 -8.732 1.044 -8.942 1.00 0.00 C ATOM 420 NE2 HIS A 27 -9.814 1.752 -9.201 1.00 0.00 N ATOM 0 H HIS A 27 -11.787 -0.518 -6.042 1.00 0.00 H new ATOM 0 HA HIS A 27 -13.223 -0.618 -8.554 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.719 -2.083 -7.594 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.348 -2.145 -9.228 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -8.461 -0.945 -8.399 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.936 1.245 -9.218 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.717 1.411 -8.974 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.830 2.738 -9.463 1.00 0.00 H new ATOM 429 N LYS A 28 -13.336 -3.102 -6.422 1.00 0.00 N ATOM 430 CA LYS A 28 -13.965 -4.404 -6.069 1.00 0.00 C ATOM 431 C LYS A 28 -13.572 -5.454 -7.103 1.00 0.00 C ATOM 432 O LYS A 28 -14.339 -6.347 -7.456 1.00 0.00 O ATOM 433 CB LYS A 28 -15.489 -4.300 -5.974 1.00 0.00 C ATOM 434 CG LYS A 28 -15.988 -3.088 -5.225 1.00 0.00 C ATOM 435 CD LYS A 28 -17.487 -3.128 -5.084 1.00 0.00 C ATOM 436 CE LYS A 28 -18.043 -1.782 -4.683 1.00 0.00 C ATOM 437 NZ LYS A 28 -17.456 -1.246 -3.442 1.00 0.00 N ATOM 0 H LYS A 28 -12.774 -2.709 -5.667 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.601 -4.697 -5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.903 -4.284 -6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.872 -5.196 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.526 -3.049 -4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.692 -2.181 -5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.934 -3.440 -6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.763 -3.873 -4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.872 -1.072 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.122 -1.867 -4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.080 -0.511 -3.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.350 -2.014 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.523 -0.835 -3.648 1.00 0.00 H new ATOM 451 N LYS A 29 -12.356 -5.353 -7.536 1.00 0.00 N ATOM 452 CA LYS A 29 -11.823 -6.181 -8.562 1.00 0.00 C ATOM 453 C LYS A 29 -10.795 -7.073 -7.954 1.00 0.00 C ATOM 454 O LYS A 29 -10.004 -6.609 -7.165 1.00 0.00 O ATOM 455 CB LYS A 29 -11.142 -5.309 -9.633 1.00 0.00 C ATOM 456 CG LYS A 29 -12.080 -4.429 -10.457 1.00 0.00 C ATOM 457 CD LYS A 29 -12.958 -5.242 -11.396 1.00 0.00 C ATOM 458 CE LYS A 29 -12.122 -5.974 -12.431 1.00 0.00 C ATOM 459 NZ LYS A 29 -12.950 -6.729 -13.376 1.00 0.00 N ATOM 0 H LYS A 29 -11.690 -4.671 -7.173 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.623 -6.762 -9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.408 -4.669 -9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.593 -5.961 -10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.711 -3.847 -9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.492 -3.718 -11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.542 -5.961 -10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.667 -4.583 -11.897 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.512 -5.255 -12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.436 -6.655 -11.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.338 -7.213 -14.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.513 -7.434 -12.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.587 -6.077 -13.877 1.00 0.00 H new ATOM 473 N PRO A 30 -10.818 -8.360 -8.241 1.00 0.00 N ATOM 474 CA PRO A 30 -9.759 -9.239 -7.815 1.00 0.00 C ATOM 475 C PRO A 30 -8.521 -8.945 -8.654 1.00 0.00 C ATOM 476 O PRO A 30 -8.490 -9.229 -9.867 1.00 0.00 O ATOM 477 CB PRO A 30 -10.289 -10.643 -8.104 1.00 0.00 C ATOM 478 CG PRO A 30 -11.708 -10.481 -8.541 1.00 0.00 C ATOM 479 CD PRO A 30 -11.867 -9.062 -8.976 1.00 0.00 C ATOM 0 HA PRO A 30 -9.486 -9.122 -6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.697 -11.128 -8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.226 -11.271 -7.216 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.941 -11.164 -9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.393 -10.714 -7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.742 -8.956 -10.054 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.856 -8.676 -8.731 1.00 0.00 H new ATOM 487 N VAL A 31 -7.536 -8.355 -8.044 1.00 0.00 N ATOM 488 CA VAL A 31 -6.381 -7.889 -8.767 1.00 0.00 C ATOM 489 C VAL A 31 -5.142 -8.637 -8.307 1.00 0.00 C ATOM 490 O VAL A 31 -4.958 -8.863 -7.103 1.00 0.00 O ATOM 491 CB VAL A 31 -6.170 -6.346 -8.563 1.00 0.00 C ATOM 492 CG1 VAL A 31 -4.997 -5.823 -9.372 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.423 -5.567 -8.914 1.00 0.00 C ATOM 0 H VAL A 31 -7.506 -8.182 -7.039 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.549 -8.078 -9.827 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.948 -6.199 -7.506 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.886 -4.752 -9.202 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.085 -6.335 -9.064 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.176 -6.005 -10.432 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.244 -4.503 -8.762 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.682 -5.746 -9.957 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.244 -5.892 -8.275 1.00 0.00 H new ATOM 503 N PRO A 32 -4.313 -9.102 -9.265 1.00 0.00 N ATOM 504 CA PRO A 32 -3.032 -9.733 -8.967 1.00 0.00 C ATOM 505 C PRO A 32 -2.143 -8.801 -8.154 1.00 0.00 C ATOM 506 O PRO A 32 -2.197 -7.562 -8.327 1.00 0.00 O ATOM 507 CB PRO A 32 -2.411 -9.953 -10.352 1.00 0.00 C ATOM 508 CG PRO A 32 -3.567 -10.028 -11.268 1.00 0.00 C ATOM 509 CD PRO A 32 -4.582 -9.081 -10.716 1.00 0.00 C ATOM 0 HA PRO A 32 -3.144 -10.648 -8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.743 -9.135 -10.622 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.821 -10.869 -10.382 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.282 -9.749 -12.282 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.963 -11.042 -11.316 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.466 -8.080 -11.132 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.598 -9.404 -10.941 1.00 0.00 H new ATOM 517 N PHE A 33 -1.325 -9.395 -7.307 1.00 0.00 N ATOM 518 CA PHE A 33 -0.415 -8.695 -6.410 1.00 0.00 C ATOM 519 C PHE A 33 0.410 -7.648 -7.175 1.00 0.00 C ATOM 520 O PHE A 33 0.498 -6.493 -6.771 1.00 0.00 O ATOM 521 CB PHE A 33 0.490 -9.733 -5.727 1.00 0.00 C ATOM 522 CG PHE A 33 1.457 -9.179 -4.730 1.00 0.00 C ATOM 523 CD1 PHE A 33 1.033 -8.805 -3.468 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.795 -9.053 -5.048 1.00 0.00 C ATOM 525 CE1 PHE A 33 1.924 -8.314 -2.544 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.690 -8.560 -4.131 1.00 0.00 C ATOM 527 CZ PHE A 33 3.254 -8.188 -2.874 1.00 0.00 C ATOM 0 H PHE A 33 -1.271 -10.410 -7.218 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.983 -8.157 -5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.141 -10.468 -5.227 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.051 -10.264 -6.496 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.010 -8.900 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.141 -9.345 -6.028 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.581 -8.028 -1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.734 -8.463 -4.392 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.956 -7.799 -2.151 1.00 0.00 H new ATOM 537 N GLN A 34 0.928 -8.057 -8.307 1.00 0.00 N ATOM 538 CA GLN A 34 1.735 -7.203 -9.173 1.00 0.00 C ATOM 539 C GLN A 34 0.980 -5.926 -9.612 1.00 0.00 C ATOM 540 O GLN A 34 1.480 -4.792 -9.460 1.00 0.00 O ATOM 541 CB GLN A 34 2.148 -8.000 -10.417 1.00 0.00 C ATOM 542 CG GLN A 34 3.045 -9.202 -10.125 1.00 0.00 C ATOM 543 CD GLN A 34 4.390 -8.831 -9.520 1.00 0.00 C ATOM 544 OE1 GLN A 34 4.901 -7.681 -9.855 1.00 0.00 O flip ATOM 545 NE2 GLN A 34 4.965 -9.586 -8.748 1.00 0.00 N flip ATOM 0 H GLN A 34 0.805 -9.004 -8.666 1.00 0.00 H new ATOM 0 HA GLN A 34 2.610 -6.887 -8.605 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.249 -8.348 -10.926 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.667 -7.333 -11.106 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.524 -9.875 -9.444 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.213 -9.752 -11.051 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.543 -10.481 -8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.866 -9.320 -8.351 1.00 0.00 H new ATOM 554 N GLU A 35 -0.240 -6.107 -10.072 1.00 0.00 N ATOM 555 CA GLU A 35 -0.988 -5.045 -10.683 1.00 0.00 C ATOM 556 C GLU A 35 -1.618 -4.137 -9.658 1.00 0.00 C ATOM 557 O GLU A 35 -1.807 -2.944 -9.921 1.00 0.00 O ATOM 558 CB GLU A 35 -1.995 -5.607 -11.677 1.00 0.00 C ATOM 559 CG GLU A 35 -1.331 -6.311 -12.860 1.00 0.00 C ATOM 560 CD GLU A 35 -0.565 -5.364 -13.788 1.00 0.00 C ATOM 561 OE1 GLU A 35 0.498 -4.802 -13.393 1.00 0.00 O ATOM 562 OE2 GLU A 35 -1.018 -5.159 -14.938 1.00 0.00 O ATOM 0 H GLU A 35 -0.735 -6.998 -10.030 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.296 -4.417 -11.244 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.651 -6.310 -11.164 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.623 -4.797 -12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.645 -7.069 -12.482 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.095 -6.832 -13.437 1.00 0.00 H new ATOM 569 N LEU A 36 -1.918 -4.677 -8.477 1.00 0.00 N ATOM 570 CA LEU A 36 -2.462 -3.856 -7.408 1.00 0.00 C ATOM 571 C LEU A 36 -1.384 -2.902 -6.929 1.00 0.00 C ATOM 572 O LEU A 36 -1.647 -1.749 -6.638 1.00 0.00 O ATOM 573 CB LEU A 36 -3.091 -4.715 -6.254 1.00 0.00 C ATOM 574 CG LEU A 36 -2.174 -5.641 -5.412 1.00 0.00 C ATOM 575 CD1 LEU A 36 -1.414 -4.880 -4.337 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.967 -6.768 -4.786 1.00 0.00 C ATOM 0 H LEU A 36 -1.795 -5.662 -8.243 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.295 -3.268 -7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.584 -4.029 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.869 -5.338 -6.696 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.441 -6.061 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.787 -5.572 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.788 -4.120 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.122 -4.402 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.300 -7.402 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.737 -6.353 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.437 -7.362 -5.570 1.00 0.00 H new ATOM 588 N LEU A 37 -0.141 -3.384 -6.942 1.00 0.00 N ATOM 589 CA LEU A 37 1.006 -2.585 -6.572 1.00 0.00 C ATOM 590 C LEU A 37 1.258 -1.523 -7.605 1.00 0.00 C ATOM 591 O LEU A 37 1.804 -0.490 -7.306 1.00 0.00 O ATOM 592 CB LEU A 37 2.230 -3.460 -6.408 1.00 0.00 C ATOM 593 CG LEU A 37 2.195 -4.412 -5.229 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.324 -5.390 -5.335 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.294 -3.638 -3.923 1.00 0.00 C ATOM 0 H LEU A 37 0.089 -4.341 -7.211 1.00 0.00 H new ATOM 0 HA LEU A 37 0.797 -2.101 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.364 -4.042 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.105 -2.817 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 37 1.250 -4.955 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.295 -6.072 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.228 -5.958 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.272 -4.852 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.268 -4.334 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.230 -3.079 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.456 -2.945 -3.846 1.00 0.00 H new ATOM 607 N ASN A 38 0.878 -1.798 -8.826 1.00 0.00 N ATOM 608 CA ASN A 38 0.970 -0.811 -9.884 1.00 0.00 C ATOM 609 C ASN A 38 -0.092 0.253 -9.751 1.00 0.00 C ATOM 610 O ASN A 38 0.179 1.429 -10.018 1.00 0.00 O ATOM 611 CB ASN A 38 1.005 -1.449 -11.270 1.00 0.00 C ATOM 612 CG ASN A 38 2.356 -2.069 -11.521 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.362 -1.571 -11.034 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.404 -3.166 -12.196 1.00 0.00 N ATOM 0 H ASN A 38 0.500 -2.699 -9.118 1.00 0.00 H new ATOM 0 HA ASN A 38 1.928 -0.304 -9.768 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.227 -2.209 -11.349 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.794 -0.697 -12.030 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.296 -3.641 -12.335 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.550 -3.559 -12.591 1.00 0.00 H new ATOM 621 N GLU A 39 -1.291 -0.136 -9.291 1.00 0.00 N ATOM 622 CA GLU A 39 -2.326 0.852 -9.005 1.00 0.00 C ATOM 623 C GLU A 39 -1.856 1.702 -7.827 1.00 0.00 C ATOM 624 O GLU A 39 -1.951 2.926 -7.856 1.00 0.00 O ATOM 625 CB GLU A 39 -3.706 0.222 -8.688 1.00 0.00 C ATOM 626 CG GLU A 39 -4.282 -0.672 -9.784 1.00 0.00 C ATOM 627 CD GLU A 39 -5.765 -1.011 -9.589 1.00 0.00 C ATOM 628 OE1 GLU A 39 -6.236 -1.133 -8.452 1.00 0.00 O ATOM 629 OE2 GLU A 39 -6.480 -1.172 -10.606 1.00 0.00 O ATOM 0 H GLU A 39 -1.558 -1.105 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.471 1.457 -9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.618 -0.364 -7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.416 1.024 -8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.155 -0.178 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.709 -1.598 -9.823 1.00 0.00 H new ATOM 636 N ILE A 40 -1.302 1.031 -6.813 1.00 0.00 N ATOM 637 CA ILE A 40 -0.728 1.690 -5.641 1.00 0.00 C ATOM 638 C ILE A 40 0.398 2.652 -6.053 1.00 0.00 C ATOM 639 O ILE A 40 0.432 3.791 -5.622 1.00 0.00 O ATOM 640 CB ILE A 40 -0.216 0.650 -4.576 1.00 0.00 C ATOM 641 CG1 ILE A 40 -1.394 -0.155 -4.002 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.557 1.330 -3.447 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.994 -1.231 -3.009 1.00 0.00 C ATOM 0 H ILE A 40 -1.240 0.013 -6.784 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.522 2.270 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 40 0.467 -0.030 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.085 0.533 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.935 -0.621 -4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.894 0.579 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.421 1.851 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.091 2.046 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.885 -1.749 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.328 -1.945 -3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.481 -0.773 -2.164 1.00 0.00 H new ATOM 655 N ALA A 41 1.271 2.203 -6.929 1.00 0.00 N ATOM 656 CA ALA A 41 2.385 3.017 -7.405 1.00 0.00 C ATOM 657 C ALA A 41 1.911 4.238 -8.170 1.00 0.00 C ATOM 658 O ALA A 41 2.605 5.230 -8.232 1.00 0.00 O ATOM 659 CB ALA A 41 3.343 2.201 -8.243 1.00 0.00 C ATOM 0 H ALA A 41 1.235 1.268 -7.334 1.00 0.00 H new ATOM 0 HA ALA A 41 2.918 3.370 -6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.161 2.836 -8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.743 1.382 -7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.816 1.796 -9.107 1.00 0.00 H new ATOM 665 N SER A 42 0.784 4.131 -8.822 1.00 0.00 N ATOM 666 CA SER A 42 0.206 5.265 -9.494 1.00 0.00 C ATOM 667 C SER A 42 -0.400 6.241 -8.474 1.00 0.00 C ATOM 668 O SER A 42 -0.353 7.465 -8.671 1.00 0.00 O ATOM 669 CB SER A 42 -0.805 4.813 -10.559 1.00 0.00 C ATOM 670 OG SER A 42 -1.324 5.905 -11.296 1.00 0.00 O ATOM 0 H SER A 42 0.246 3.268 -8.902 1.00 0.00 H new ATOM 0 HA SER A 42 0.992 5.804 -10.022 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.324 4.112 -11.241 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.624 4.279 -10.078 1.00 0.00 H new ATOM 0 HG SER A 42 -1.961 5.576 -11.964 1.00 0.00 H new ATOM 676 N LEU A 43 -0.943 5.698 -7.384 1.00 0.00 N ATOM 677 CA LEU A 43 -1.507 6.507 -6.311 1.00 0.00 C ATOM 678 C LEU A 43 -0.414 7.345 -5.705 1.00 0.00 C ATOM 679 O LEU A 43 -0.551 8.553 -5.553 1.00 0.00 O ATOM 680 CB LEU A 43 -2.110 5.632 -5.215 1.00 0.00 C ATOM 681 CG LEU A 43 -3.208 4.666 -5.625 1.00 0.00 C ATOM 682 CD1 LEU A 43 -3.612 3.838 -4.442 1.00 0.00 C ATOM 683 CD2 LEU A 43 -4.406 5.402 -6.181 1.00 0.00 C ATOM 0 H LEU A 43 -1.003 4.692 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.294 7.133 -6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.304 5.055 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.508 6.287 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.823 4.017 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.400 3.144 -4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.751 3.277 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.979 4.490 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.175 4.683 -6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.803 6.077 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.105 5.977 -7.057 1.00 0.00 H new ATOM 695 N LEU A 44 0.679 6.696 -5.377 1.00 0.00 N ATOM 696 CA LEU A 44 1.812 7.379 -4.822 1.00 0.00 C ATOM 697 C LEU A 44 2.574 8.094 -5.916 1.00 0.00 C ATOM 698 O LEU A 44 2.984 7.485 -6.890 1.00 0.00 O ATOM 699 CB LEU A 44 2.792 6.427 -4.092 1.00 0.00 C ATOM 700 CG LEU A 44 2.395 5.794 -2.749 1.00 0.00 C ATOM 701 CD1 LEU A 44 1.336 4.731 -2.905 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.619 5.222 -2.058 1.00 0.00 C ATOM 0 H LEU A 44 0.802 5.690 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 44 1.416 8.085 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.023 5.612 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.718 6.979 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 44 1.967 6.585 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.091 4.315 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.442 5.170 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.709 3.938 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.325 4.776 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.072 4.460 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.341 6.019 -1.877 1.00 0.00 H new ATOM 714 N GLY A 45 2.712 9.376 -5.789 1.00 0.00 N ATOM 715 CA GLY A 45 3.585 10.139 -6.675 1.00 0.00 C ATOM 716 C GLY A 45 5.057 9.841 -6.384 1.00 0.00 C ATOM 717 O GLY A 45 5.806 10.714 -5.966 1.00 0.00 O ATOM 0 H GLY A 45 2.235 9.934 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.359 9.895 -7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.394 11.205 -6.550 1.00 0.00 H new ATOM 721 N VAL A 46 5.432 8.597 -6.597 1.00 0.00 N ATOM 722 CA VAL A 46 6.752 8.049 -6.326 1.00 0.00 C ATOM 723 C VAL A 46 7.190 7.262 -7.547 1.00 0.00 C ATOM 724 O VAL A 46 6.591 7.410 -8.621 1.00 0.00 O ATOM 725 CB VAL A 46 6.688 7.050 -5.123 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.230 7.730 -3.853 1.00 0.00 C ATOM 727 CG2 VAL A 46 5.800 5.834 -5.443 1.00 0.00 C ATOM 0 H VAL A 46 4.794 7.902 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 46 7.440 8.862 -6.094 1.00 0.00 H new ATOM 0 HB VAL A 46 7.703 6.689 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.199 7.003 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.925 8.529 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.235 8.149 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.780 5.162 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.787 6.171 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.203 5.306 -6.307 1.00 0.00 H new ATOM 737 N LYS A 47 8.226 6.463 -7.408 1.00 0.00 N ATOM 738 CA LYS A 47 8.595 5.536 -8.451 1.00 0.00 C ATOM 739 C LYS A 47 8.389 4.090 -7.958 1.00 0.00 C ATOM 740 O LYS A 47 8.309 3.848 -6.752 1.00 0.00 O ATOM 741 CB LYS A 47 10.027 5.768 -8.948 1.00 0.00 C ATOM 742 CG LYS A 47 11.128 5.592 -7.913 1.00 0.00 C ATOM 743 CD LYS A 47 12.484 5.681 -8.583 1.00 0.00 C ATOM 744 CE LYS A 47 13.637 5.577 -7.603 1.00 0.00 C ATOM 745 NZ LYS A 47 14.932 5.544 -8.315 1.00 0.00 N ATOM 0 H LYS A 47 8.826 6.438 -6.583 1.00 0.00 H new ATOM 0 HA LYS A 47 7.945 5.709 -9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.219 5.083 -9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.092 6.779 -9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.042 6.359 -7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.021 4.628 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.570 4.885 -9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.556 6.626 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.615 6.425 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.526 4.676 -6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.704 5.438 -7.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.945 4.741 -8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.059 6.430 -8.845 1.00 0.00 H new ATOM 759 N LYS A 48 8.305 3.151 -8.880 1.00 0.00 N ATOM 760 CA LYS A 48 8.059 1.736 -8.568 1.00 0.00 C ATOM 761 C LYS A 48 9.178 1.138 -7.691 1.00 0.00 C ATOM 762 O LYS A 48 8.899 0.358 -6.798 1.00 0.00 O ATOM 763 CB LYS A 48 7.932 0.943 -9.879 1.00 0.00 C ATOM 764 CG LYS A 48 7.706 -0.566 -9.755 1.00 0.00 C ATOM 765 CD LYS A 48 6.277 -0.962 -9.343 1.00 0.00 C ATOM 766 CE LYS A 48 6.050 -2.458 -9.615 1.00 0.00 C ATOM 767 NZ LYS A 48 4.749 -2.949 -9.139 1.00 0.00 N ATOM 0 H LYS A 48 8.405 3.339 -9.878 1.00 0.00 H new ATOM 0 HA LYS A 48 7.131 1.668 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.106 1.364 -10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.839 1.104 -10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.939 -1.036 -10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.407 -0.967 -9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.121 -0.748 -8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.551 -0.368 -9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.128 -2.640 -10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.843 -3.031 -9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.654 -3.959 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.685 -2.821 -8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.986 -2.415 -9.602 1.00 0.00 H new ATOM 781 N GLU A 49 10.429 1.537 -7.954 1.00 0.00 N ATOM 782 CA GLU A 49 11.615 1.023 -7.218 1.00 0.00 C ATOM 783 C GLU A 49 11.496 1.150 -5.699 1.00 0.00 C ATOM 784 O GLU A 49 11.653 0.166 -4.963 1.00 0.00 O ATOM 785 CB GLU A 49 12.887 1.735 -7.657 1.00 0.00 C ATOM 786 CG GLU A 49 13.339 1.443 -9.064 1.00 0.00 C ATOM 787 CD GLU A 49 14.616 2.160 -9.376 1.00 0.00 C ATOM 788 OE1 GLU A 49 15.697 1.627 -9.089 1.00 0.00 O ATOM 789 OE2 GLU A 49 14.570 3.300 -9.876 1.00 0.00 O ATOM 0 H GLU A 49 10.658 2.220 -8.676 1.00 0.00 H new ATOM 0 HA GLU A 49 11.662 -0.037 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.734 2.810 -7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.690 1.463 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.480 0.369 -9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.565 1.747 -9.769 1.00 0.00 H new ATOM 796 N GLU A 50 11.200 2.348 -5.241 1.00 0.00 N ATOM 797 CA GLU A 50 11.121 2.636 -3.811 1.00 0.00 C ATOM 798 C GLU A 50 9.943 1.899 -3.188 1.00 0.00 C ATOM 799 O GLU A 50 10.009 1.397 -2.039 1.00 0.00 O ATOM 800 CB GLU A 50 11.006 4.142 -3.593 1.00 0.00 C ATOM 801 CG GLU A 50 9.772 4.756 -4.222 1.00 0.00 C ATOM 802 CD GLU A 50 9.739 6.245 -4.097 1.00 0.00 C ATOM 803 OE1 GLU A 50 9.548 6.752 -2.973 1.00 0.00 O ATOM 804 OE2 GLU A 50 9.876 6.939 -5.118 1.00 0.00 O ATOM 0 H GLU A 50 11.007 3.151 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 50 12.030 2.286 -3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.997 4.345 -2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.892 4.628 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.733 4.483 -5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.883 4.337 -3.751 1.00 0.00 H new ATOM 811 N LEU A 51 8.879 1.780 -3.963 1.00 0.00 N ATOM 812 CA LEU A 51 7.727 1.074 -3.520 1.00 0.00 C ATOM 813 C LEU A 51 8.030 -0.407 -3.525 1.00 0.00 C ATOM 814 O LEU A 51 7.398 -1.135 -2.849 1.00 0.00 O ATOM 815 CB LEU A 51 6.498 1.372 -4.385 1.00 0.00 C ATOM 816 CG LEU A 51 5.182 0.737 -3.907 1.00 0.00 C ATOM 817 CD1 LEU A 51 4.731 1.331 -2.580 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.104 0.875 -4.954 1.00 0.00 C ATOM 0 H LEU A 51 8.805 2.171 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 51 7.487 1.406 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.363 2.453 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.698 1.030 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 51 5.366 -0.326 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.798 0.861 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.496 1.154 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.576 2.404 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.184 0.418 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.928 1.931 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.420 0.376 -5.870 1.00 0.00 H new ATOM 830 N GLY A 52 9.044 -0.807 -4.296 1.00 0.00 N ATOM 831 CA GLY A 52 9.488 -2.188 -4.371 1.00 0.00 C ATOM 832 C GLY A 52 10.103 -2.634 -3.080 1.00 0.00 C ATOM 833 O GLY A 52 9.861 -3.775 -2.601 1.00 0.00 O ATOM 0 H GLY A 52 9.580 -0.172 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.642 -2.831 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.213 -2.296 -5.178 1.00 0.00 H new ATOM 837 N ASP A 53 10.877 -1.746 -2.490 1.00 0.00 N ATOM 838 CA ASP A 53 11.446 -1.982 -1.162 1.00 0.00 C ATOM 839 C ASP A 53 10.288 -2.183 -0.211 1.00 0.00 C ATOM 840 O ASP A 53 10.233 -3.140 0.602 1.00 0.00 O ATOM 841 CB ASP A 53 12.261 -0.774 -0.678 1.00 0.00 C ATOM 842 CG ASP A 53 13.402 -0.392 -1.577 1.00 0.00 C ATOM 843 OD1 ASP A 53 14.276 -1.234 -1.850 1.00 0.00 O ATOM 844 OD2 ASP A 53 13.436 0.761 -2.049 1.00 0.00 O ATOM 0 H ASP A 53 11.132 -0.849 -2.904 1.00 0.00 H new ATOM 0 HA ASP A 53 12.108 -2.847 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.593 0.081 -0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.654 -0.991 0.315 1.00 0.00 H new ATOM 849 N ARG A 54 9.316 -1.316 -0.367 1.00 0.00 N ATOM 850 CA ARG A 54 8.138 -1.366 0.429 1.00 0.00 C ATOM 851 C ARG A 54 7.233 -2.569 0.045 1.00 0.00 C ATOM 852 O ARG A 54 6.326 -2.859 0.739 1.00 0.00 O ATOM 853 CB ARG A 54 7.381 -0.035 0.433 1.00 0.00 C ATOM 854 CG ARG A 54 6.465 0.106 1.639 1.00 0.00 C ATOM 855 CD ARG A 54 5.754 1.439 1.681 1.00 0.00 C ATOM 856 NE ARG A 54 5.014 1.603 2.942 1.00 0.00 N ATOM 857 CZ ARG A 54 3.981 2.419 3.148 1.00 0.00 C ATOM 858 NH1 ARG A 54 3.517 3.166 2.158 1.00 0.00 N ATOM 859 NH2 ARG A 54 3.413 2.481 4.343 1.00 0.00 N ATOM 0 H ARG A 54 9.330 -0.561 -1.052 1.00 0.00 H new ATOM 0 HA ARG A 54 8.456 -1.532 1.458 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.097 0.787 0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.791 0.047 -0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.726 -0.695 1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.050 -0.018 2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.479 2.245 1.573 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.066 1.515 0.839 1.00 0.00 H new ATOM 0 HE ARG A 54 5.321 1.038 3.734 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.950 3.117 1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.726 3.790 2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.766 1.904 5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.622 3.106 4.500 1.00 0.00 H new ATOM 873 N ILE A 55 7.475 -3.205 -1.110 1.00 0.00 N ATOM 874 CA ILE A 55 6.730 -4.408 -1.548 1.00 0.00 C ATOM 875 C ILE A 55 7.126 -5.584 -0.686 1.00 0.00 C ATOM 876 O ILE A 55 6.285 -6.383 -0.283 1.00 0.00 O ATOM 877 CB ILE A 55 6.967 -4.758 -3.067 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.329 -3.702 -3.973 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.443 -6.157 -3.422 1.00 0.00 C ATOM 880 CD1 ILE A 55 6.570 -3.919 -5.457 1.00 0.00 C ATOM 0 H ILE A 55 8.191 -2.905 -1.771 1.00 0.00 H new ATOM 0 HA ILE A 55 5.668 -4.190 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 55 8.044 -4.759 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.255 -3.686 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.714 -2.721 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.627 -6.357 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.958 -6.903 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.372 -6.205 -3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.083 -3.126 -6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.641 -3.904 -5.658 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.159 -4.883 -5.755 1.00 0.00 H new ATOM 892 N ALA A 56 8.408 -5.677 -0.384 1.00 0.00 N ATOM 893 CA ALA A 56 8.875 -6.721 0.531 1.00 0.00 C ATOM 894 C ALA A 56 8.261 -6.464 1.909 1.00 0.00 C ATOM 895 O ALA A 56 7.712 -7.389 2.598 1.00 0.00 O ATOM 896 CB ALA A 56 10.390 -6.714 0.607 1.00 0.00 C ATOM 0 H ALA A 56 9.136 -5.061 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 56 8.566 -7.702 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.724 -7.495 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.805 -6.898 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.732 -5.744 0.969 1.00 0.00 H new ATOM 902 N GLN A 57 8.278 -5.188 2.278 1.00 0.00 N ATOM 903 CA GLN A 57 7.679 -4.737 3.523 1.00 0.00 C ATOM 904 C GLN A 57 6.169 -5.069 3.477 1.00 0.00 C ATOM 905 O GLN A 57 5.597 -5.517 4.438 1.00 0.00 O ATOM 906 CB GLN A 57 7.940 -3.217 3.675 1.00 0.00 C ATOM 907 CG GLN A 57 7.786 -2.595 5.081 1.00 0.00 C ATOM 908 CD GLN A 57 6.379 -2.617 5.641 1.00 0.00 C ATOM 909 OE1 GLN A 57 5.590 -1.702 5.391 1.00 0.00 O ATOM 910 NE2 GLN A 57 6.083 -3.583 6.447 1.00 0.00 N ATOM 0 H GLN A 57 8.705 -4.444 1.726 1.00 0.00 H new ATOM 0 HA GLN A 57 8.113 -5.237 4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.954 -3.015 3.329 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.263 -2.692 3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.443 -3.125 5.770 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.130 -1.561 5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.762 -4.322 6.629 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.170 -3.606 6.901 1.00 0.00 H new ATOM 919 N PHE A 58 5.584 -4.918 2.305 1.00 0.00 N ATOM 920 CA PHE A 58 4.183 -5.174 2.061 1.00 0.00 C ATOM 921 C PHE A 58 3.871 -6.642 2.186 1.00 0.00 C ATOM 922 O PHE A 58 2.786 -6.992 2.549 1.00 0.00 O ATOM 923 CB PHE A 58 3.759 -4.641 0.692 1.00 0.00 C ATOM 924 CG PHE A 58 2.285 -4.737 0.389 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.344 -4.218 1.261 1.00 0.00 C ATOM 926 CD2 PHE A 58 1.850 -5.308 -0.783 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.004 -4.272 0.966 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.506 -5.369 -1.083 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.418 -4.848 -0.208 1.00 0.00 C ATOM 0 H PHE A 58 6.087 -4.605 1.475 1.00 0.00 H new ATOM 0 HA PHE A 58 3.610 -4.643 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.060 -3.596 0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.307 -5.186 -0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.668 -3.764 2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.570 -5.714 -1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.718 -3.862 1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.179 -5.826 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.471 -4.891 -0.443 1.00 0.00 H new ATOM 939 N TYR A 59 4.822 -7.508 1.883 1.00 0.00 N ATOM 940 CA TYR A 59 4.610 -8.918 2.125 1.00 0.00 C ATOM 941 C TYR A 59 4.377 -9.147 3.589 1.00 0.00 C ATOM 942 O TYR A 59 3.455 -9.876 3.971 1.00 0.00 O ATOM 943 CB TYR A 59 5.730 -9.812 1.584 1.00 0.00 C ATOM 944 CG TYR A 59 5.368 -10.459 0.271 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.428 -11.482 0.240 1.00 0.00 C ATOM 946 CD2 TYR A 59 5.932 -10.051 -0.928 1.00 0.00 C ATOM 947 CE1 TYR A 59 4.059 -12.083 -0.939 1.00 0.00 C ATOM 948 CE2 TYR A 59 5.562 -10.648 -2.121 1.00 0.00 C ATOM 949 CZ TYR A 59 4.623 -11.666 -2.117 1.00 0.00 C ATOM 950 OH TYR A 59 4.236 -12.260 -3.299 1.00 0.00 O ATOM 0 H TYR A 59 5.727 -7.265 1.479 1.00 0.00 H new ATOM 0 HA TYR A 59 3.722 -9.211 1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.635 -9.218 1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.958 -10.586 2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.977 -11.812 1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.667 -9.260 -0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.329 -12.879 -0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.004 -10.321 -3.051 1.00 0.00 H new ATOM 0 HH TYR A 59 4.725 -11.854 -4.045 1.00 0.00 H new ATOM 960 N THR A 60 5.148 -8.476 4.401 1.00 0.00 N ATOM 961 CA THR A 60 4.945 -8.541 5.831 1.00 0.00 C ATOM 962 C THR A 60 3.592 -7.853 6.223 1.00 0.00 C ATOM 963 O THR A 60 2.706 -8.483 6.800 1.00 0.00 O ATOM 964 CB THR A 60 6.098 -7.820 6.532 1.00 0.00 C ATOM 965 OG1 THR A 60 7.352 -8.262 5.968 1.00 0.00 O ATOM 966 CG2 THR A 60 6.084 -8.106 8.021 1.00 0.00 C ATOM 0 H THR A 60 5.920 -7.880 4.103 1.00 0.00 H new ATOM 0 HA THR A 60 4.911 -9.586 6.138 1.00 0.00 H new ATOM 0 HB THR A 60 5.981 -6.746 6.384 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.092 -7.800 6.414 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.912 -7.584 8.500 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.142 -7.762 8.449 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.187 -9.178 8.187 1.00 0.00 H new ATOM 974 N ASP A 61 3.453 -6.601 5.802 1.00 0.00 N ATOM 975 CA ASP A 61 2.317 -5.684 6.113 1.00 0.00 C ATOM 976 C ASP A 61 0.957 -6.307 5.730 1.00 0.00 C ATOM 977 O ASP A 61 0.002 -6.282 6.496 1.00 0.00 O ATOM 978 CB ASP A 61 2.558 -4.371 5.311 1.00 0.00 C ATOM 979 CG ASP A 61 1.721 -3.153 5.712 1.00 0.00 C ATOM 980 OD1 ASP A 61 2.018 -2.540 6.776 1.00 0.00 O ATOM 981 OD2 ASP A 61 0.842 -2.728 4.933 1.00 0.00 O ATOM 0 H ASP A 61 4.152 -6.159 5.205 1.00 0.00 H new ATOM 0 HA ASP A 61 2.278 -5.491 7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.611 -4.105 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.373 -4.578 4.257 1.00 0.00 H new ATOM 986 N LEU A 62 0.912 -6.881 4.556 1.00 0.00 N ATOM 987 CA LEU A 62 -0.285 -7.484 3.994 1.00 0.00 C ATOM 988 C LEU A 62 -0.635 -8.844 4.618 1.00 0.00 C ATOM 989 O LEU A 62 -1.787 -9.095 4.962 1.00 0.00 O ATOM 990 CB LEU A 62 -0.105 -7.638 2.486 1.00 0.00 C ATOM 991 CG LEU A 62 -1.261 -8.213 1.693 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.470 -7.311 1.788 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.847 -8.395 0.250 1.00 0.00 C ATOM 0 H LEU A 62 1.724 -6.948 3.942 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.117 -6.818 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.128 -6.656 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.766 -8.271 2.315 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.529 -9.184 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.290 -7.740 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.771 -7.214 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.222 -6.327 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.680 -8.809 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.564 -7.431 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.002 -9.077 0.198 1.00 0.00 H new ATOM 1005 N ASN A 63 0.358 -9.715 4.796 1.00 0.00 N ATOM 1006 CA ASN A 63 0.066 -11.101 5.232 1.00 0.00 C ATOM 1007 C ASN A 63 -0.295 -11.229 6.699 1.00 0.00 C ATOM 1008 O ASN A 63 -0.607 -12.321 7.182 1.00 0.00 O ATOM 1009 CB ASN A 63 1.162 -12.108 4.846 1.00 0.00 C ATOM 1010 CG ASN A 63 1.190 -12.424 3.356 1.00 0.00 C ATOM 1011 OD1 ASN A 63 0.477 -13.310 2.884 1.00 0.00 O ATOM 1012 ND2 ASN A 63 2.036 -11.762 2.620 1.00 0.00 N ATOM 0 H ASN A 63 1.346 -9.506 4.653 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.830 -11.362 4.669 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.132 -11.711 5.145 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.010 -13.032 5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.121 -11.972 1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.614 -11.033 3.038 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.268 -10.132 7.407 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.657 -10.119 8.803 1.00 0.00 C ATOM 1021 C ILE A 64 -2.045 -9.485 8.968 1.00 0.00 C ATOM 1022 O ILE A 64 -2.529 -9.298 10.088 1.00 0.00 O ATOM 1023 CB ILE A 64 0.383 -9.375 9.694 1.00 0.00 C ATOM 1024 CG1 ILE A 64 0.604 -7.932 9.191 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.696 -10.155 9.744 1.00 0.00 C ATOM 1026 CD1 ILE A 64 1.641 -7.139 9.967 1.00 0.00 C ATOM 0 H ILE A 64 0.021 -9.225 7.041 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.694 -11.156 9.137 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.010 -9.312 10.709 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.904 -7.969 8.144 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.346 -7.399 9.231 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.412 -9.622 10.370 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.515 -11.145 10.162 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.099 -10.254 8.736 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.727 -6.139 9.542 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.336 -7.064 11.011 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.605 -7.644 9.906 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.688 -9.183 7.858 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.998 -8.535 7.883 1.00 0.00 C ATOM 1040 C ASP A 65 -5.123 -9.572 7.798 1.00 0.00 C ATOM 1041 O ASP A 65 -4.931 -10.665 7.239 1.00 0.00 O ATOM 1042 CB ASP A 65 -4.125 -7.543 6.736 1.00 0.00 C ATOM 1043 CG ASP A 65 -5.388 -6.739 6.829 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -5.456 -5.809 7.649 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -6.345 -7.052 6.135 1.00 0.00 O ATOM 0 H ASP A 65 -2.330 -9.374 6.922 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.088 -8.000 8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.266 -6.872 6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.106 -8.080 5.788 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.278 -9.245 8.365 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.409 -10.147 8.361 1.00 0.00 C ATOM 1052 C GLY A 66 -8.613 -9.580 7.613 1.00 0.00 C ATOM 1053 O GLY A 66 -9.698 -10.151 7.647 1.00 0.00 O ATOM 0 H GLY A 66 -6.450 -8.356 8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.114 -11.091 7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.696 -10.367 9.389 1.00 0.00 H new ATOM 1057 N ARG A 67 -8.437 -8.460 6.962 1.00 0.00 N ATOM 1058 CA ARG A 67 -9.491 -7.867 6.153 1.00 0.00 C ATOM 1059 C ARG A 67 -9.225 -8.255 4.727 1.00 0.00 C ATOM 1060 O ARG A 67 -10.143 -8.398 3.900 1.00 0.00 O ATOM 1061 CB ARG A 67 -9.460 -6.351 6.284 1.00 0.00 C ATOM 1062 CG ARG A 67 -9.745 -5.848 7.680 1.00 0.00 C ATOM 1063 CD ARG A 67 -9.315 -4.408 7.828 1.00 0.00 C ATOM 1064 NE ARG A 67 -7.861 -4.279 7.655 1.00 0.00 N ATOM 1065 CZ ARG A 67 -7.175 -3.139 7.634 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -7.795 -1.973 7.671 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -5.861 -3.186 7.562 1.00 0.00 N ATOM 0 H ARG A 67 -7.566 -7.929 6.972 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.470 -8.218 6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.480 -5.990 5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.191 -5.922 5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.810 -5.938 7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.220 -6.466 8.409 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.830 -3.792 7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.604 -4.036 8.811 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.329 -5.142 7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.813 -1.938 7.716 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.255 -1.108 7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.384 -4.087 7.523 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.320 -2.322 7.545 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.958 -8.397 4.444 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.494 -8.846 3.185 1.00 0.00 C ATOM 1083 C PHE A 68 -7.635 -10.328 3.015 1.00 0.00 C ATOM 1084 O PHE A 68 -7.686 -11.103 3.984 1.00 0.00 O ATOM 1085 CB PHE A 68 -6.068 -8.408 2.929 1.00 0.00 C ATOM 1086 CG PHE A 68 -6.005 -7.275 1.982 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -6.184 -5.978 2.409 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.791 -7.517 0.643 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -6.143 -4.945 1.510 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.754 -6.495 -0.255 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.930 -5.209 0.174 1.00 0.00 C ATOM 0 H PHE A 68 -7.211 -8.195 5.109 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.134 -8.376 2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.601 -8.121 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.496 -9.246 2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.357 -5.775 3.455 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.651 -8.532 0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.277 -3.928 1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.586 -6.699 -1.302 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.902 -4.396 -0.537 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.691 -10.704 1.791 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.885 -12.043 1.377 1.00 0.00 C ATOM 1103 C LEU A 69 -7.075 -12.307 0.140 1.00 0.00 C ATOM 1104 O LEU A 69 -7.076 -11.489 -0.781 1.00 0.00 O ATOM 1105 CB LEU A 69 -9.376 -12.208 1.060 1.00 0.00 C ATOM 1106 CG LEU A 69 -9.795 -13.311 0.069 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -9.527 -14.711 0.608 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -11.250 -13.131 -0.300 1.00 0.00 C ATOM 0 H LEU A 69 -7.598 -10.053 1.012 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.573 -12.741 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.897 -12.390 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.741 -11.257 0.672 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.182 -13.211 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.840 -15.451 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.462 -14.826 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.087 -14.859 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.547 -13.911 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.864 -13.197 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.390 -12.154 -0.763 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.357 -13.399 0.122 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.734 -13.822 -1.095 1.00 0.00 C ATOM 1122 C ALA A 70 -6.656 -14.785 -1.730 1.00 0.00 C ATOM 1123 O ALA A 70 -6.994 -15.827 -1.148 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.384 -14.490 -0.898 1.00 0.00 C ATOM 0 H ALA A 70 -6.193 -14.002 0.928 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.544 -12.939 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.977 -14.781 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.701 -13.793 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.504 -15.375 -0.274 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.114 -14.436 -2.857 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.925 -15.288 -3.627 1.00 0.00 C ATOM 1132 C LEU A 71 -7.036 -16.418 -4.147 1.00 0.00 C ATOM 1133 O LEU A 71 -5.797 -16.313 -4.094 1.00 0.00 O ATOM 1134 CB LEU A 71 -8.565 -14.472 -4.734 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.387 -13.296 -4.247 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -9.620 -12.339 -5.357 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.705 -13.756 -3.722 1.00 0.00 C ATOM 0 H LEU A 71 -6.934 -13.528 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.736 -15.734 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.782 -14.103 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.204 -15.125 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.832 -12.806 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.212 -11.498 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.663 -11.975 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.157 -12.840 -6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.280 -12.896 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.254 -14.266 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.546 -14.443 -2.891 1.00 0.00 H new ATOM 1149 N SER A 72 -7.643 -17.451 -4.640 1.00 0.00 N ATOM 1150 CA SER A 72 -6.975 -18.704 -5.008 1.00 0.00 C ATOM 1151 C SER A 72 -5.756 -18.562 -5.964 1.00 0.00 C ATOM 1152 O SER A 72 -4.993 -19.514 -6.125 1.00 0.00 O ATOM 1153 CB SER A 72 -8.002 -19.656 -5.607 1.00 0.00 C ATOM 1154 OG SER A 72 -9.140 -19.791 -4.743 1.00 0.00 O ATOM 0 H SER A 72 -8.648 -17.467 -4.811 1.00 0.00 H new ATOM 0 HA SER A 72 -6.552 -19.096 -4.083 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.322 -19.286 -6.581 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.547 -20.633 -5.771 1.00 0.00 H new ATOM 0 HG SER A 72 -9.787 -20.405 -5.148 1.00 0.00 H new ATOM 1160 N ASP A 73 -5.565 -17.411 -6.583 1.00 0.00 N ATOM 1161 CA ASP A 73 -4.462 -17.258 -7.532 1.00 0.00 C ATOM 1162 C ASP A 73 -3.511 -16.113 -7.132 1.00 0.00 C ATOM 1163 O ASP A 73 -2.813 -15.527 -7.962 1.00 0.00 O ATOM 1164 CB ASP A 73 -5.023 -17.134 -8.963 1.00 0.00 C ATOM 1165 CG ASP A 73 -3.980 -17.105 -10.062 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -3.176 -18.062 -10.175 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -3.972 -16.148 -10.858 1.00 0.00 O ATOM 0 H ASP A 73 -6.143 -16.580 -6.454 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.839 -18.152 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.698 -17.970 -9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.619 -16.224 -9.025 1.00 0.00 H new ATOM 1172 N GLN A 74 -3.467 -15.832 -5.824 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.585 -14.780 -5.233 1.00 0.00 C ATOM 1174 C GLN A 74 -3.058 -13.421 -5.659 1.00 0.00 C ATOM 1175 O GLN A 74 -2.335 -12.422 -5.611 1.00 0.00 O ATOM 1176 CB GLN A 74 -1.073 -14.974 -5.545 1.00 0.00 C ATOM 1177 CG GLN A 74 -0.393 -16.169 -4.852 1.00 0.00 C ATOM 1178 CD GLN A 74 -1.030 -17.492 -5.203 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -0.664 -18.125 -6.194 1.00 0.00 O ATOM 1180 NE2 GLN A 74 -1.950 -17.941 -4.380 1.00 0.00 N ATOM 0 H GLN A 74 -4.037 -16.320 -5.133 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.667 -14.875 -4.150 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.956 -15.088 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.543 -14.064 -5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.660 -16.193 -5.131 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.433 -16.027 -3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.225 -17.385 -3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.390 -18.845 -4.551 1.00 0.00 H new ATOM 1189 N THR A 75 -4.267 -13.409 -6.084 1.00 0.00 N ATOM 1190 CA THR A 75 -4.961 -12.232 -6.384 1.00 0.00 C ATOM 1191 C THR A 75 -5.511 -11.733 -5.074 1.00 0.00 C ATOM 1192 O THR A 75 -6.151 -12.478 -4.355 1.00 0.00 O ATOM 1193 CB THR A 75 -6.082 -12.548 -7.393 1.00 0.00 C ATOM 1194 OG1 THR A 75 -6.615 -13.869 -7.120 1.00 0.00 O ATOM 1195 CG2 THR A 75 -5.559 -12.502 -8.814 1.00 0.00 C ATOM 0 H THR A 75 -4.814 -14.257 -6.235 1.00 0.00 H new ATOM 0 HA THR A 75 -4.327 -11.472 -6.841 1.00 0.00 H new ATOM 0 HB THR A 75 -6.866 -11.798 -7.287 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.556 -13.905 -7.392 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.369 -12.728 -9.507 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.168 -11.507 -9.026 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.763 -13.238 -8.933 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.241 -10.537 -4.724 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.657 -10.094 -3.444 1.00 0.00 C ATOM 1205 C TRP A 76 -6.964 -9.384 -3.535 1.00 0.00 C ATOM 1206 O TRP A 76 -7.365 -8.924 -4.612 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.571 -9.276 -2.738 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.357 -10.102 -2.379 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.285 -10.384 -3.176 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.099 -10.755 -1.125 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.384 -11.177 -2.500 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -1.859 -11.416 -1.242 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.797 -10.845 0.084 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.304 -12.152 -0.197 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.245 -11.575 1.120 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -2.012 -12.220 0.973 1.00 0.00 C ATOM 0 H TRP A 76 -4.742 -9.852 -5.291 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.814 -10.969 -2.813 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.266 -8.452 -3.383 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.986 -8.835 -1.832 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.161 -10.035 -4.191 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.504 -11.529 -2.878 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.751 -10.353 0.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.352 -12.650 -0.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.774 -11.649 2.059 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.610 -12.784 1.801 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.659 -9.374 -2.452 1.00 0.00 N ATOM 1228 CA GLY A 77 -8.917 -8.766 -2.405 1.00 0.00 C ATOM 1229 C GLY A 77 -9.368 -8.562 -0.989 1.00 0.00 C ATOM 1230 O GLY A 77 -8.563 -8.613 -0.059 1.00 0.00 O ATOM 0 H GLY A 77 -7.357 -9.794 -1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.879 -7.806 -2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.642 -9.383 -2.935 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.646 -8.407 -0.815 1.00 0.00 N ATOM 1235 CA LEU A 78 -11.215 -8.132 0.473 1.00 0.00 C ATOM 1236 C LEU A 78 -12.104 -9.264 0.916 1.00 0.00 C ATOM 1237 O LEU A 78 -12.841 -9.853 0.126 1.00 0.00 O ATOM 1238 CB LEU A 78 -12.015 -6.822 0.466 1.00 0.00 C ATOM 1239 CG LEU A 78 -11.237 -5.549 0.129 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -12.156 -4.338 0.173 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -10.061 -5.361 1.076 1.00 0.00 C ATOM 0 H LEU A 78 -11.330 -8.468 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.389 -8.028 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.830 -6.924 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.469 -6.694 1.449 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.843 -5.651 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.587 -3.440 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.960 -4.465 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.581 -4.240 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.525 -4.449 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.427 -5.286 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.387 -6.214 0.993 1.00 0.00 H new ATOM 1253 N ARG A 79 -12.043 -9.539 2.177 1.00 0.00 N ATOM 1254 CA ARG A 79 -12.823 -10.577 2.822 1.00 0.00 C ATOM 1255 C ARG A 79 -14.284 -10.139 2.976 1.00 0.00 C ATOM 1256 O ARG A 79 -15.167 -10.951 3.197 1.00 0.00 O ATOM 1257 CB ARG A 79 -12.144 -10.874 4.167 1.00 0.00 C ATOM 1258 CG ARG A 79 -12.802 -11.866 5.105 1.00 0.00 C ATOM 1259 CD ARG A 79 -11.858 -12.109 6.267 1.00 0.00 C ATOM 1260 NE ARG A 79 -12.447 -12.877 7.374 1.00 0.00 N ATOM 1261 CZ ARG A 79 -12.122 -12.748 8.682 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -11.226 -11.851 9.075 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -12.683 -13.547 9.585 1.00 0.00 N ATOM 0 H ARG A 79 -11.431 -9.037 2.821 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.854 -11.487 2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.137 -11.234 3.958 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.041 -9.930 4.702 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.755 -11.477 5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.014 -12.800 4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.978 -12.638 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.516 -11.147 6.649 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.161 -13.565 7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.773 -11.248 8.388 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.991 -11.765 10.064 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.356 -14.255 9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.440 -13.452 10.571 1.00 0.00 H new ATOM 1277 N SER A 80 -14.513 -8.865 2.781 1.00 0.00 N ATOM 1278 CA SER A 80 -15.812 -8.250 2.907 1.00 0.00 C ATOM 1279 C SER A 80 -16.781 -8.703 1.793 1.00 0.00 C ATOM 1280 O SER A 80 -17.990 -8.688 1.975 1.00 0.00 O ATOM 1281 CB SER A 80 -15.601 -6.752 2.822 1.00 0.00 C ATOM 1282 OG SER A 80 -14.470 -6.380 3.604 1.00 0.00 O ATOM 0 H SER A 80 -13.779 -8.206 2.522 1.00 0.00 H new ATOM 0 HA SER A 80 -16.264 -8.545 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.451 -6.455 1.784 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.489 -6.229 3.178 1.00 0.00 H new ATOM 0 HG SER A 80 -14.336 -5.411 3.545 1.00 0.00 H new ATOM 1288 N TRP A 81 -16.243 -9.123 0.655 1.00 0.00 N ATOM 1289 CA TRP A 81 -17.087 -9.484 -0.482 1.00 0.00 C ATOM 1290 C TRP A 81 -17.748 -10.827 -0.291 1.00 0.00 C ATOM 1291 O TRP A 81 -18.953 -10.986 -0.501 1.00 0.00 O ATOM 1292 CB TRP A 81 -16.285 -9.591 -1.759 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.537 -8.387 -2.175 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -15.971 -7.091 -2.190 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.234 -8.390 -2.732 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.991 -6.280 -2.698 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.916 -7.056 -3.052 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.289 -9.405 -2.984 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.704 -6.702 -3.623 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.091 -9.042 -3.558 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.811 -7.696 -3.875 1.00 0.00 C ATOM 0 H TRP A 81 -15.241 -9.222 0.493 1.00 0.00 H new ATOM 0 HA TRP A 81 -17.832 -8.691 -0.549 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.575 -10.411 -1.648 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -16.965 -9.865 -2.566 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.941 -6.757 -1.852 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.050 -5.267 -2.797 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.498 -10.435 -2.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.477 -5.673 -3.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.353 -9.801 -3.769 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -10.863 -7.449 -4.330 1.00 0.00 H new ATOM 1312 N TYR A 82 -16.951 -11.789 0.087 1.00 0.00 N ATOM 1313 CA TYR A 82 -17.386 -13.150 0.133 1.00 0.00 C ATOM 1314 C TYR A 82 -17.688 -13.549 1.569 1.00 0.00 C ATOM 1315 O TYR A 82 -16.867 -13.322 2.444 1.00 0.00 O ATOM 1316 CB TYR A 82 -16.277 -14.070 -0.407 1.00 0.00 C ATOM 1317 CG TYR A 82 -15.695 -13.701 -1.748 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -16.339 -14.019 -2.905 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -14.483 -13.049 -1.839 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -15.813 -13.702 -4.137 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -13.943 -12.726 -3.061 1.00 0.00 C ATOM 1322 CZ TYR A 82 -14.614 -13.055 -4.213 1.00 0.00 C ATOM 1323 OH TYR A 82 -14.091 -12.728 -5.445 1.00 0.00 O ATOM 0 H TYR A 82 -15.982 -11.647 0.371 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.284 -13.250 -0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -15.467 -14.094 0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -16.675 -15.082 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -17.287 -14.533 -2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.950 -12.788 -0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.347 -13.964 -5.039 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.993 -12.215 -3.115 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.233 -12.270 -5.325 1.00 0.00 H new TER 1333 TYR A 82