USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 377 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 Single : A 1 GLY N :NH3+ -157:sc= 0.191 (180deg=0.0823) USER MOD Single : A 2 SER OG : rot 150:sc= 1.23 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00492) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 13 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.024) USER MOD Single : A 18 GLN : amide:sc= -1.01 X(o=-1,f=-1.3) USER MOD Single : A 25 GLN : amide:sc=-0.000116 X(o=-0.00012,f=-0.089) USER MOD Single : A 28 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.052 K(o=0.052,f=-3.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.595 K(o=-0.59,f=-4.2!) USER MOD Single : A 42 THR OG1 : rot 121:sc= -0.429 USER MOD Single : A 44 GLN : amide:sc= -1.65! K(o=-1.7!,f=-0.64) USER MOD Single : A 45 GLN : amide:sc= -1.64! C(o=-1.6!,f=-3.6!) USER MOD Single : A 46 CYS SG : rot -14:sc= 0.0646 USER MOD Single : A 47 GLN : amide:sc= -6.64! C(o=-6.6!,f=-9.3!) USER MOD Single : A 48 TYR OH : rot 15:sc= -0.0982 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.607 -5.739 -10.646 1.00 0.00 N ATOM 2 CA GLY A 1 -14.017 -4.772 -11.555 1.00 0.00 C ATOM 3 C GLY A 1 -12.887 -3.997 -10.874 1.00 0.00 C ATOM 4 O GLY A 1 -12.974 -3.681 -9.689 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.069 -6.493 -11.193 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.863 -6.152 -10.048 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.312 -5.266 -10.045 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.631 -5.284 -12.436 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.783 -4.077 -11.900 1.00 0.00 H new ATOM 8 N SER A 2 -11.853 -3.713 -11.653 1.00 0.00 N ATOM 9 CA SER A 2 -10.708 -2.982 -11.140 1.00 0.00 C ATOM 10 C SER A 2 -10.202 -1.996 -12.194 1.00 0.00 C ATOM 11 O SER A 2 -10.148 -0.791 -11.948 1.00 0.00 O ATOM 12 CB SER A 2 -9.587 -3.936 -10.723 1.00 0.00 C ATOM 13 OG SER A 2 -9.735 -4.378 -9.376 1.00 0.00 O ATOM 0 H SER A 2 -11.785 -3.976 -12.636 1.00 0.00 H new ATOM 0 HA SER A 2 -11.024 -2.428 -10.256 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.579 -4.799 -11.389 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.625 -3.437 -10.837 1.00 0.00 H new ATOM 0 HG SER A 2 -9.352 -5.275 -9.282 1.00 0.00 H new ATOM 18 N SER A 3 -9.843 -2.543 -13.346 1.00 0.00 N ATOM 19 CA SER A 3 -9.343 -1.725 -14.439 1.00 0.00 C ATOM 20 C SER A 3 -8.081 -0.980 -13.999 1.00 0.00 C ATOM 21 O SER A 3 -8.164 0.027 -13.298 1.00 0.00 O ATOM 22 CB SER A 3 -10.406 -0.735 -14.917 1.00 0.00 C ATOM 23 OG SER A 3 -9.867 0.235 -15.811 1.00 0.00 O ATOM 0 H SER A 3 -9.888 -3.542 -13.547 1.00 0.00 H new ATOM 0 HA SER A 3 -9.097 -2.381 -15.274 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.211 -1.278 -15.413 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.845 -0.231 -14.056 1.00 0.00 H new ATOM 0 HG SER A 3 -10.577 0.848 -16.095 1.00 0.00 H new ATOM 28 N GLY A 4 -6.943 -1.503 -14.430 1.00 0.00 N ATOM 29 CA GLY A 4 -5.665 -0.900 -14.090 1.00 0.00 C ATOM 30 C GLY A 4 -4.810 -1.859 -13.259 1.00 0.00 C ATOM 31 O GLY A 4 -4.551 -1.606 -12.085 1.00 0.00 O ATOM 0 H GLY A 4 -6.879 -2.338 -15.012 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.132 -0.629 -15.002 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.831 0.022 -13.532 1.00 0.00 H new ATOM 35 N SER A 5 -4.394 -2.939 -13.904 1.00 0.00 N ATOM 36 CA SER A 5 -3.573 -3.937 -13.240 1.00 0.00 C ATOM 37 C SER A 5 -2.246 -4.102 -13.983 1.00 0.00 C ATOM 38 O SER A 5 -2.198 -4.719 -15.046 1.00 0.00 O ATOM 39 CB SER A 5 -4.301 -5.279 -13.151 1.00 0.00 C ATOM 40 OG SER A 5 -5.443 -5.212 -12.301 1.00 0.00 O ATOM 0 H SER A 5 -4.610 -3.145 -14.879 1.00 0.00 H new ATOM 0 HA SER A 5 -3.374 -3.594 -12.225 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.610 -5.591 -14.149 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.615 -6.039 -12.777 1.00 0.00 H new ATOM 0 HG SER A 5 -5.881 -6.088 -12.272 1.00 0.00 H new ATOM 45 N SER A 6 -1.201 -3.540 -13.393 1.00 0.00 N ATOM 46 CA SER A 6 0.124 -3.615 -13.986 1.00 0.00 C ATOM 47 C SER A 6 1.189 -3.610 -12.889 1.00 0.00 C ATOM 48 O SER A 6 2.021 -4.514 -12.822 1.00 0.00 O ATOM 49 CB SER A 6 0.359 -2.459 -14.960 1.00 0.00 C ATOM 50 OG SER A 6 1.462 -2.707 -15.828 1.00 0.00 O ATOM 0 H SER A 6 -1.245 -3.031 -12.510 1.00 0.00 H new ATOM 0 HA SER A 6 0.195 -4.546 -14.548 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.540 -2.297 -15.554 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.539 -1.543 -14.398 1.00 0.00 H new ATOM 0 HG SER A 6 1.578 -1.947 -16.435 1.00 0.00 H new ATOM 55 N GLY A 7 1.130 -2.581 -12.056 1.00 0.00 N ATOM 56 CA GLY A 7 2.080 -2.446 -10.965 1.00 0.00 C ATOM 57 C GLY A 7 3.482 -2.140 -11.493 1.00 0.00 C ATOM 58 O GLY A 7 3.708 -2.141 -12.702 1.00 0.00 O ATOM 0 H GLY A 7 0.439 -1.833 -12.115 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.758 -1.649 -10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.101 -3.366 -10.380 1.00 0.00 H new ATOM 62 N LYS A 8 4.389 -1.883 -10.561 1.00 0.00 N ATOM 63 CA LYS A 8 5.764 -1.576 -10.918 1.00 0.00 C ATOM 64 C LYS A 8 6.654 -1.735 -9.684 1.00 0.00 C ATOM 65 O LYS A 8 7.417 -2.695 -9.584 1.00 0.00 O ATOM 66 CB LYS A 8 5.852 -0.193 -11.566 1.00 0.00 C ATOM 67 CG LYS A 8 5.975 -0.307 -13.087 1.00 0.00 C ATOM 68 CD LYS A 8 5.001 0.641 -13.789 1.00 0.00 C ATOM 69 CE LYS A 8 5.589 2.049 -13.898 1.00 0.00 C ATOM 70 NZ LYS A 8 5.168 2.690 -15.164 1.00 0.00 N ATOM 0 H LYS A 8 4.198 -1.881 -9.559 1.00 0.00 H new ATOM 0 HA LYS A 8 6.130 -2.278 -11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.966 0.389 -11.312 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.712 0.345 -11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.996 -0.076 -13.391 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.775 -1.333 -13.396 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.772 0.261 -14.784 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.062 0.677 -13.237 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.262 2.653 -13.051 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.677 2.000 -13.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.576 3.645 -15.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.502 2.122 -15.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.130 2.754 -15.192 1.00 0.00 H new ATOM 79 N VAL A 9 6.527 -0.779 -8.776 1.00 0.00 N ATOM 80 CA VAL A 9 7.312 -0.801 -7.552 1.00 0.00 C ATOM 81 C VAL A 9 7.176 -2.173 -6.889 1.00 0.00 C ATOM 82 O VAL A 9 6.105 -2.523 -6.393 1.00 0.00 O ATOM 83 CB VAL A 9 6.887 0.351 -6.637 1.00 0.00 C ATOM 84 CG1 VAL A 9 5.371 0.350 -6.424 1.00 0.00 C ATOM 85 CG2 VAL A 9 7.629 0.291 -5.301 1.00 0.00 C ATOM 0 H VAL A 9 5.893 0.015 -8.862 1.00 0.00 H new ATOM 0 HA VAL A 9 8.369 -0.650 -7.773 1.00 0.00 H new ATOM 0 HB VAL A 9 7.156 1.287 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.095 1.178 -5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.869 0.463 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.069 -0.591 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.309 1.120 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.405 -0.652 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.702 0.362 -5.477 1.00 0.00 H new ATOM 95 N LYS A 10 8.275 -2.913 -6.902 1.00 0.00 N ATOM 96 CA LYS A 10 8.292 -4.238 -6.307 1.00 0.00 C ATOM 97 C LYS A 10 7.916 -4.134 -4.828 1.00 0.00 C ATOM 98 O LYS A 10 8.474 -3.318 -4.097 1.00 0.00 O ATOM 99 CB LYS A 10 9.641 -4.918 -6.552 1.00 0.00 C ATOM 100 CG LYS A 10 9.573 -5.850 -7.763 1.00 0.00 C ATOM 101 CD LYS A 10 9.376 -7.303 -7.327 1.00 0.00 C ATOM 102 CE LYS A 10 8.394 -8.025 -8.251 1.00 0.00 C ATOM 103 NZ LYS A 10 7.003 -7.617 -7.951 1.00 0.00 N ATOM 0 H LYS A 10 9.160 -2.620 -7.315 1.00 0.00 H new ATOM 0 HA LYS A 10 7.547 -4.877 -6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.409 -4.162 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.932 -5.485 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.752 -5.547 -8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.490 -5.763 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 10 10.335 -7.821 -7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.005 -7.332 -6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.630 -7.797 -9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.497 -9.103 -8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.345 -8.166 -8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.798 -7.794 -6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.887 -6.604 -8.155 1.00 0.00 H new ATOM 112 N TRP A 11 6.970 -4.973 -4.430 1.00 0.00 N ATOM 113 CA TRP A 11 6.512 -4.986 -3.052 1.00 0.00 C ATOM 114 C TRP A 11 6.651 -6.413 -2.520 1.00 0.00 C ATOM 115 O TRP A 11 6.159 -7.359 -3.134 1.00 0.00 O ATOM 116 CB TRP A 11 5.086 -4.443 -2.942 1.00 0.00 C ATOM 117 CG TRP A 11 5.010 -2.953 -2.609 1.00 0.00 C ATOM 118 CD1 TRP A 11 5.525 -1.926 -3.301 1.00 0.00 C ATOM 119 CD2 TRP A 11 4.358 -2.359 -1.467 1.00 0.00 C ATOM 120 NE1 TRP A 11 5.253 -0.718 -2.690 1.00 0.00 N ATOM 121 CE2 TRP A 11 4.521 -0.989 -1.539 1.00 0.00 C ATOM 122 CE3 TRP A 11 3.654 -2.957 -0.407 1.00 0.00 C ATOM 123 CZ2 TRP A 11 4.009 -0.105 -0.582 1.00 0.00 C ATOM 124 CZ3 TRP A 11 3.149 -2.060 0.540 1.00 0.00 C ATOM 125 CH2 TRP A 11 3.305 -0.679 0.482 1.00 0.00 C ATOM 0 H TRP A 11 6.508 -5.649 -5.039 1.00 0.00 H new ATOM 0 HA TRP A 11 7.123 -4.325 -2.437 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.567 -4.621 -3.884 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.553 -5.004 -2.174 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.082 -2.031 -4.220 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.537 0.204 -3.022 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.514 -4.025 -0.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.150 0.963 -0.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.599 -2.468 1.375 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.885 -0.053 1.255 1.00 0.00 H new ATOM 135 N THR A 12 7.324 -6.525 -1.384 1.00 0.00 N ATOM 136 CA THR A 12 7.534 -7.822 -0.763 1.00 0.00 C ATOM 137 C THR A 12 6.351 -8.179 0.140 1.00 0.00 C ATOM 138 O THR A 12 5.611 -7.299 0.576 1.00 0.00 O ATOM 139 CB THR A 12 8.873 -7.781 -0.023 1.00 0.00 C ATOM 140 OG1 THR A 12 8.773 -6.631 0.812 1.00 0.00 O ATOM 141 CG2 THR A 12 10.045 -7.465 -0.953 1.00 0.00 C ATOM 0 H THR A 12 7.731 -5.739 -0.877 1.00 0.00 H new ATOM 0 HA THR A 12 7.583 -8.615 -1.510 1.00 0.00 H new ATOM 0 HB THR A 12 9.046 -8.739 0.468 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.599 -6.530 1.329 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.971 -7.448 -0.378 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.112 -8.230 -1.727 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.888 -6.492 -1.418 1.00 0.00 H new ATOM 149 N HIS A 13 6.211 -9.472 0.394 1.00 0.00 N ATOM 150 CA HIS A 13 5.132 -9.956 1.238 1.00 0.00 C ATOM 151 C HIS A 13 5.125 -9.180 2.557 1.00 0.00 C ATOM 152 O HIS A 13 4.090 -8.655 2.967 1.00 0.00 O ATOM 153 CB HIS A 13 5.236 -11.468 1.440 1.00 0.00 C ATOM 154 CG HIS A 13 4.634 -12.281 0.318 1.00 0.00 C ATOM 155 ND1 HIS A 13 5.186 -13.470 -0.126 1.00 0.00 N ATOM 156 CD2 HIS A 13 3.523 -12.064 -0.442 1.00 0.00 C ATOM 157 CE1 HIS A 13 4.434 -13.937 -1.111 1.00 0.00 C ATOM 158 NE2 HIS A 13 3.405 -13.065 -1.306 1.00 0.00 N ATOM 0 H HIS A 13 6.827 -10.199 0.030 1.00 0.00 H new ATOM 0 HA HIS A 13 4.175 -9.779 0.747 1.00 0.00 H new ATOM 0 HB2 HIS A 13 6.286 -11.738 1.548 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.741 -11.734 2.374 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.853 -11.221 -0.356 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.606 -14.849 -1.663 1.00 0.00 H new ATOM 0 HE2 HIS A 13 2.666 -13.165 -2.002 1.00 0.00 H new ATOM 165 N GLU A 14 6.290 -9.134 3.185 1.00 0.00 N ATOM 166 CA GLU A 14 6.430 -8.432 4.451 1.00 0.00 C ATOM 167 C GLU A 14 5.903 -7.001 4.324 1.00 0.00 C ATOM 168 O GLU A 14 5.387 -6.439 5.290 1.00 0.00 O ATOM 169 CB GLU A 14 7.885 -8.440 4.923 1.00 0.00 C ATOM 170 CG GLU A 14 8.172 -9.667 5.792 1.00 0.00 C ATOM 171 CD GLU A 14 8.046 -10.957 4.978 1.00 0.00 C ATOM 172 OE1 GLU A 14 8.652 -11.073 3.903 1.00 0.00 O ATOM 173 OE2 GLU A 14 7.286 -11.858 5.500 1.00 0.00 O ATOM 0 H GLU A 14 7.146 -9.571 2.842 1.00 0.00 H new ATOM 0 HA GLU A 14 5.836 -8.953 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.551 -8.437 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.093 -7.532 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.176 -9.594 6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.477 -9.693 6.631 1.00 0.00 H new ATOM 179 N GLU A 15 6.049 -6.453 3.127 1.00 0.00 N ATOM 180 CA GLU A 15 5.594 -5.099 2.862 1.00 0.00 C ATOM 181 C GLU A 15 4.086 -5.087 2.603 1.00 0.00 C ATOM 182 O GLU A 15 3.372 -4.222 3.108 1.00 0.00 O ATOM 183 CB GLU A 15 6.358 -4.484 1.688 1.00 0.00 C ATOM 184 CG GLU A 15 7.714 -3.938 2.142 1.00 0.00 C ATOM 185 CD GLU A 15 8.265 -2.930 1.131 1.00 0.00 C ATOM 186 OE1 GLU A 15 7.917 -1.740 1.190 1.00 0.00 O ATOM 187 OE2 GLU A 15 9.083 -3.420 0.263 1.00 0.00 O ATOM 0 H GLU A 15 6.476 -6.923 2.329 1.00 0.00 H new ATOM 0 HA GLU A 15 5.796 -4.489 3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.506 -5.235 0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.768 -3.681 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.610 -3.461 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.419 -4.760 2.263 1.00 0.00 H new ATOM 193 N ASP A 16 3.646 -6.057 1.815 1.00 0.00 N ATOM 194 CA ASP A 16 2.236 -6.168 1.481 1.00 0.00 C ATOM 195 C ASP A 16 1.434 -6.427 2.758 1.00 0.00 C ATOM 196 O ASP A 16 0.438 -5.752 3.016 1.00 0.00 O ATOM 197 CB ASP A 16 1.987 -7.335 0.523 1.00 0.00 C ATOM 198 CG ASP A 16 0.580 -7.930 0.580 1.00 0.00 C ATOM 199 OD1 ASP A 16 -0.394 -7.235 0.906 1.00 0.00 O ATOM 200 OD2 ASP A 16 0.502 -9.179 0.267 1.00 0.00 O ATOM 0 H ASP A 16 4.241 -6.773 1.398 1.00 0.00 H new ATOM 0 HA ASP A 16 1.928 -5.238 1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.181 -6.997 -0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.708 -8.124 0.740 1.00 0.00 H new ATOM 205 N GLU A 17 1.898 -7.403 3.524 1.00 0.00 N ATOM 206 CA GLU A 17 1.237 -7.758 4.767 1.00 0.00 C ATOM 207 C GLU A 17 1.204 -6.556 5.714 1.00 0.00 C ATOM 208 O GLU A 17 0.244 -6.375 6.459 1.00 0.00 O ATOM 209 CB GLU A 17 1.918 -8.959 5.427 1.00 0.00 C ATOM 210 CG GLU A 17 3.240 -8.548 6.080 1.00 0.00 C ATOM 211 CD GLU A 17 3.859 -9.719 6.846 1.00 0.00 C ATOM 212 OE1 GLU A 17 4.545 -9.504 7.857 1.00 0.00 O ATOM 213 OE2 GLU A 17 3.607 -10.885 6.356 1.00 0.00 O ATOM 0 H GLU A 17 2.725 -7.959 3.307 1.00 0.00 H new ATOM 0 HA GLU A 17 0.210 -8.044 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.256 -9.390 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.101 -9.733 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.935 -8.201 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.070 -7.713 6.760 1.00 0.00 H new ATOM 219 N GLN A 18 2.267 -5.766 5.651 1.00 0.00 N ATOM 220 CA GLN A 18 2.372 -4.587 6.493 1.00 0.00 C ATOM 221 C GLN A 18 1.239 -3.607 6.180 1.00 0.00 C ATOM 222 O GLN A 18 0.349 -3.398 7.002 1.00 0.00 O ATOM 223 CB GLN A 18 3.738 -3.917 6.329 1.00 0.00 C ATOM 224 CG GLN A 18 4.678 -4.300 7.473 1.00 0.00 C ATOM 225 CD GLN A 18 6.131 -4.353 6.995 1.00 0.00 C ATOM 226 OE1 GLN A 18 6.567 -3.572 6.166 1.00 0.00 O ATOM 227 NE2 GLN A 18 6.853 -5.316 7.562 1.00 0.00 N ATOM 0 H GLN A 18 3.062 -5.920 5.030 1.00 0.00 H new ATOM 0 HA GLN A 18 2.279 -4.898 7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.179 -4.212 5.377 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.615 -2.834 6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.584 -3.577 8.283 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.389 -5.270 7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.425 -5.936 8.250 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.834 -5.434 7.309 1.00 0.00 H new ATOM 234 N LEU A 19 1.310 -3.033 4.989 1.00 0.00 N ATOM 235 CA LEU A 19 0.301 -2.081 4.556 1.00 0.00 C ATOM 236 C LEU A 19 -1.089 -2.658 4.827 1.00 0.00 C ATOM 237 O LEU A 19 -2.006 -1.930 5.205 1.00 0.00 O ATOM 238 CB LEU A 19 0.528 -1.686 3.095 1.00 0.00 C ATOM 239 CG LEU A 19 -0.363 -0.564 2.558 1.00 0.00 C ATOM 240 CD1 LEU A 19 -0.377 0.631 3.512 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.056 -0.162 1.142 1.00 0.00 C ATOM 0 H LEU A 19 2.050 -3.208 4.310 1.00 0.00 H new ATOM 0 HA LEU A 19 0.380 -1.157 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.569 -1.384 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.381 -2.569 2.473 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.385 -0.939 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.018 1.413 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.759 0.317 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.636 1.016 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.593 0.637 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.089 0.187 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.029 -1.023 0.479 1.00 0.00 H new ATOM 252 N ARG A 20 -1.203 -3.963 4.625 1.00 0.00 N ATOM 253 CA ARG A 20 -2.466 -4.647 4.843 1.00 0.00 C ATOM 254 C ARG A 20 -2.918 -4.478 6.295 1.00 0.00 C ATOM 255 O ARG A 20 -4.011 -3.977 6.554 1.00 0.00 O ATOM 256 CB ARG A 20 -2.347 -6.139 4.523 1.00 0.00 C ATOM 257 CG ARG A 20 -2.606 -6.403 3.039 1.00 0.00 C ATOM 258 CD ARG A 20 -3.275 -7.764 2.833 1.00 0.00 C ATOM 259 NE ARG A 20 -4.623 -7.582 2.252 1.00 0.00 N ATOM 260 CZ ARG A 20 -5.313 -8.555 1.619 1.00 0.00 C ATOM 261 NH1 ARG A 20 -4.785 -9.790 1.481 1.00 0.00 N ATOM 262 NH2 ARG A 20 -6.512 -8.281 1.138 1.00 0.00 N ATOM 0 H ARG A 20 -0.441 -4.565 4.313 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.204 -4.202 4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.352 -6.494 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.059 -6.702 5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.241 -5.616 2.631 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.665 -6.370 2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.666 -8.382 2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.348 -8.290 3.785 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.059 -6.664 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.859 -9.993 1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.313 -10.520 1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.904 -7.346 1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.046 -9.005 0.657 1.00 0.00 H new ATOM 272 N ALA A 21 -2.054 -4.905 7.203 1.00 0.00 N ATOM 273 CA ALA A 21 -2.349 -4.807 8.622 1.00 0.00 C ATOM 274 C ALA A 21 -2.409 -3.333 9.026 1.00 0.00 C ATOM 275 O ALA A 21 -3.310 -2.920 9.755 1.00 0.00 O ATOM 276 CB ALA A 21 -1.301 -5.588 9.418 1.00 0.00 C ATOM 0 H ALA A 21 -1.149 -5.320 6.984 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.321 -5.249 8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.523 -5.514 10.483 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.320 -6.635 9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.312 -5.172 9.224 1.00 0.00 H new ATOM 282 N LEU A 22 -1.438 -2.578 8.533 1.00 0.00 N ATOM 283 CA LEU A 22 -1.368 -1.158 8.834 1.00 0.00 C ATOM 284 C LEU A 22 -2.722 -0.511 8.538 1.00 0.00 C ATOM 285 O LEU A 22 -3.194 0.329 9.302 1.00 0.00 O ATOM 286 CB LEU A 22 -0.200 -0.508 8.088 1.00 0.00 C ATOM 287 CG LEU A 22 1.198 -0.838 8.615 1.00 0.00 C ATOM 288 CD1 LEU A 22 2.276 -0.151 7.775 1.00 0.00 C ATOM 289 CD2 LEU A 22 1.321 -0.491 10.100 1.00 0.00 C ATOM 0 H LEU A 22 -0.693 -2.923 7.927 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.165 -1.003 9.894 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.252 -0.807 7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.332 0.574 8.118 1.00 0.00 H new ATOM 0 HG LEU A 22 1.353 -1.913 8.522 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.260 -0.402 8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.203 -0.490 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.134 0.929 7.813 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.324 -0.736 10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.137 0.574 10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.589 -1.064 10.669 1.00 0.00 H new ATOM 300 N VAL A 23 -3.311 -0.928 7.426 1.00 0.00 N ATOM 301 CA VAL A 23 -4.602 -0.401 7.019 1.00 0.00 C ATOM 302 C VAL A 23 -5.619 -0.634 8.138 1.00 0.00 C ATOM 303 O VAL A 23 -6.121 0.318 8.733 1.00 0.00 O ATOM 304 CB VAL A 23 -5.025 -1.023 5.687 1.00 0.00 C ATOM 305 CG1 VAL A 23 -6.490 -0.709 5.376 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.112 -0.558 4.550 1.00 0.00 C ATOM 0 H VAL A 23 -2.917 -1.625 6.794 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.541 0.675 6.855 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.925 -2.105 5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.765 -1.163 4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.124 -1.111 6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.626 0.371 5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.435 -1.015 3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.165 0.527 4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.085 -0.855 4.763 1.00 0.00 H new ATOM 316 N ARG A 24 -5.891 -1.905 8.390 1.00 0.00 N ATOM 317 CA ARG A 24 -6.839 -2.276 9.428 1.00 0.00 C ATOM 318 C ARG A 24 -6.397 -1.711 10.779 1.00 0.00 C ATOM 319 O ARG A 24 -7.230 -1.363 11.613 1.00 0.00 O ATOM 320 CB ARG A 24 -6.970 -3.797 9.536 1.00 0.00 C ATOM 321 CG ARG A 24 -7.297 -4.418 8.177 1.00 0.00 C ATOM 322 CD ARG A 24 -7.664 -5.896 8.323 1.00 0.00 C ATOM 323 NE ARG A 24 -8.436 -6.345 7.143 1.00 0.00 N ATOM 324 CZ ARG A 24 -8.660 -7.640 6.834 1.00 0.00 C ATOM 325 NH1 ARG A 24 -8.172 -8.625 7.616 1.00 0.00 N ATOM 326 NH2 ARG A 24 -9.364 -7.927 5.754 1.00 0.00 N ATOM 0 H ARG A 24 -5.472 -2.692 7.894 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.808 -1.858 9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.041 -4.219 9.918 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.752 -4.048 10.252 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.124 -3.878 7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.440 -4.317 7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.759 -6.495 8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.250 -6.046 9.230 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.823 -5.632 6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.629 -8.394 8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.346 -9.601 7.375 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.729 -7.176 5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.543 -8.900 5.505 1.00 0.00 H new ATOM 336 N GLN A 25 -5.084 -1.637 10.951 1.00 0.00 N ATOM 337 CA GLN A 25 -4.521 -1.120 12.187 1.00 0.00 C ATOM 338 C GLN A 25 -5.281 0.129 12.635 1.00 0.00 C ATOM 339 O GLN A 25 -5.958 0.114 13.663 1.00 0.00 O ATOM 340 CB GLN A 25 -3.028 -0.825 12.026 1.00 0.00 C ATOM 341 CG GLN A 25 -2.267 -1.136 13.316 1.00 0.00 C ATOM 342 CD GLN A 25 -1.076 -2.057 13.042 1.00 0.00 C ATOM 343 OE1 GLN A 25 0.077 -1.678 13.164 1.00 0.00 O ATOM 344 NE2 GLN A 25 -1.419 -3.287 12.666 1.00 0.00 N ATOM 0 H GLN A 25 -4.396 -1.926 10.256 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.627 -1.882 12.959 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.622 -1.419 11.207 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.887 0.222 11.760 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.917 -0.208 13.769 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.938 -1.608 14.034 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.404 -3.539 12.584 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.697 -3.977 12.460 1.00 0.00 H new ATOM 351 N PHE A 26 -5.146 1.183 11.843 1.00 0.00 N ATOM 352 CA PHE A 26 -5.812 2.438 12.145 1.00 0.00 C ATOM 353 C PHE A 26 -6.881 2.758 11.098 1.00 0.00 C ATOM 354 O PHE A 26 -8.014 3.088 11.444 1.00 0.00 O ATOM 355 CB PHE A 26 -4.741 3.531 12.115 1.00 0.00 C ATOM 356 CG PHE A 26 -3.486 3.195 12.922 1.00 0.00 C ATOM 357 CD1 PHE A 26 -2.481 2.479 12.350 1.00 0.00 C ATOM 358 CD2 PHE A 26 -3.374 3.612 14.211 1.00 0.00 C ATOM 359 CE1 PHE A 26 -1.316 2.167 13.099 1.00 0.00 C ATOM 360 CE2 PHE A 26 -2.209 3.301 14.961 1.00 0.00 C ATOM 361 CZ PHE A 26 -1.204 2.585 14.388 1.00 0.00 C ATOM 0 H PHE A 26 -4.584 1.193 10.992 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.302 2.375 13.117 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.456 3.717 11.080 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.170 4.457 12.499 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.569 2.148 11.326 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.172 4.181 14.665 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.519 1.598 12.645 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.121 3.632 15.985 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.317 2.349 14.957 1.00 0.00 H new ATOM 370 N GLY A 27 -6.482 2.650 9.839 1.00 0.00 N ATOM 371 CA GLY A 27 -7.391 2.923 8.741 1.00 0.00 C ATOM 372 C GLY A 27 -6.637 3.479 7.530 1.00 0.00 C ATOM 373 O GLY A 27 -5.879 4.439 7.655 1.00 0.00 O ATOM 0 H GLY A 27 -5.541 2.377 9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.913 2.008 8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.149 3.637 9.061 1.00 0.00 H new ATOM 377 N GLN A 28 -6.873 2.852 6.387 1.00 0.00 N ATOM 378 CA GLN A 28 -6.226 3.271 5.156 1.00 0.00 C ATOM 379 C GLN A 28 -6.497 4.754 4.891 1.00 0.00 C ATOM 380 O GLN A 28 -5.739 5.410 4.178 1.00 0.00 O ATOM 381 CB GLN A 28 -6.682 2.412 3.976 1.00 0.00 C ATOM 382 CG GLN A 28 -8.182 2.120 4.057 1.00 0.00 C ATOM 383 CD GLN A 28 -8.860 2.354 2.705 1.00 0.00 C ATOM 384 OE1 GLN A 28 -8.672 1.616 1.752 1.00 0.00 O ATOM 385 NE2 GLN A 28 -9.657 3.418 2.675 1.00 0.00 N ATOM 0 H GLN A 28 -7.504 2.057 6.288 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.151 3.132 5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.458 2.925 3.041 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.125 1.475 3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.339 1.089 4.373 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.640 2.758 4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.770 3.994 3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.155 3.658 1.818 1.00 0.00 H new ATOM 392 N GLN A 29 -7.581 5.238 5.481 1.00 0.00 N ATOM 393 CA GLN A 29 -7.962 6.631 5.318 1.00 0.00 C ATOM 394 C GLN A 29 -6.750 7.541 5.529 1.00 0.00 C ATOM 395 O GLN A 29 -6.588 8.536 4.826 1.00 0.00 O ATOM 396 CB GLN A 29 -9.099 7.003 6.272 1.00 0.00 C ATOM 397 CG GLN A 29 -10.460 6.658 5.663 1.00 0.00 C ATOM 398 CD GLN A 29 -10.841 5.206 5.961 1.00 0.00 C ATOM 399 OE1 GLN A 29 -10.253 4.542 6.799 1.00 0.00 O ATOM 400 NE2 GLN A 29 -11.855 4.752 5.230 1.00 0.00 N ATOM 0 H GLN A 29 -8.207 4.691 6.072 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.325 6.772 4.300 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.974 6.473 7.216 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.056 8.069 6.496 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.222 7.327 6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.431 6.816 4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.303 5.361 4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.185 3.795 5.354 1.00 0.00 H new ATOM 407 N ASP A 30 -5.930 7.165 6.500 1.00 0.00 N ATOM 408 CA ASP A 30 -4.738 7.936 6.811 1.00 0.00 C ATOM 409 C ASP A 30 -3.526 7.282 6.146 1.00 0.00 C ATOM 410 O ASP A 30 -2.705 6.658 6.817 1.00 0.00 O ATOM 411 CB ASP A 30 -4.485 7.973 8.320 1.00 0.00 C ATOM 412 CG ASP A 30 -5.457 8.849 9.116 1.00 0.00 C ATOM 413 OD1 ASP A 30 -6.577 8.429 9.437 1.00 0.00 O ATOM 414 OD2 ASP A 30 -5.014 10.024 9.411 1.00 0.00 O ATOM 0 H ASP A 30 -6.067 6.338 7.081 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.888 8.952 6.444 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.536 6.955 8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.470 8.330 8.495 1.00 0.00 H new ATOM 419 N TRP A 31 -3.450 7.448 4.833 1.00 0.00 N ATOM 420 CA TRP A 31 -2.351 6.881 4.069 1.00 0.00 C ATOM 421 C TRP A 31 -1.074 7.633 4.451 1.00 0.00 C ATOM 422 O TRP A 31 -0.054 7.016 4.755 1.00 0.00 O ATOM 423 CB TRP A 31 -2.646 6.926 2.569 1.00 0.00 C ATOM 424 CG TRP A 31 -3.750 5.964 2.122 1.00 0.00 C ATOM 425 CD1 TRP A 31 -5.037 6.242 1.880 1.00 0.00 C ATOM 426 CD2 TRP A 31 -3.607 4.550 1.874 1.00 0.00 C ATOM 427 NE1 TRP A 31 -5.734 5.114 1.495 1.00 0.00 N ATOM 428 CE2 TRP A 31 -4.836 4.052 1.491 1.00 0.00 C ATOM 429 CE3 TRP A 31 -2.478 3.718 1.969 1.00 0.00 C ATOM 430 CZ2 TRP A 31 -5.054 2.707 1.173 1.00 0.00 C ATOM 431 CZ3 TRP A 31 -2.711 2.375 1.648 1.00 0.00 C ATOM 432 CH2 TRP A 31 -3.943 1.859 1.261 1.00 0.00 C ATOM 0 H TRP A 31 -4.131 7.967 4.279 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.218 5.826 4.307 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -2.931 7.942 2.296 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.732 6.693 2.022 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.475 7.225 1.974 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.725 5.068 1.257 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -1.507 4.086 2.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.026 2.343 0.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.876 1.693 1.705 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -4.043 0.809 1.029 1.00 0.00 H new ATOM 442 N LYS A 32 -1.172 8.955 4.420 1.00 0.00 N ATOM 443 CA LYS A 32 -0.036 9.796 4.758 1.00 0.00 C ATOM 444 C LYS A 32 0.713 9.183 5.941 1.00 0.00 C ATOM 445 O LYS A 32 1.941 9.107 5.931 1.00 0.00 O ATOM 446 CB LYS A 32 -0.491 11.237 4.997 1.00 0.00 C ATOM 447 CG LYS A 32 -0.599 12.005 3.679 1.00 0.00 C ATOM 448 CD LYS A 32 -1.796 12.958 3.694 1.00 0.00 C ATOM 449 CE LYS A 32 -2.249 13.293 2.273 1.00 0.00 C ATOM 450 NZ LYS A 32 -1.709 14.606 1.852 1.00 0.00 N ATOM 0 H LYS A 32 -2.019 9.463 4.166 1.00 0.00 H new ATOM 0 HA LYS A 32 0.667 9.841 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.457 11.238 5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.215 11.740 5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.317 12.570 3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.700 11.302 2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.620 12.504 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.529 13.875 4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.912 12.517 1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.338 13.309 2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.026 14.818 0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.051 15.345 2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.670 14.578 1.877 1.00 0.00 H new ATOM 459 N PHE A 33 -0.057 8.761 6.934 1.00 0.00 N ATOM 460 CA PHE A 33 0.520 8.156 8.123 1.00 0.00 C ATOM 461 C PHE A 33 1.105 6.778 7.808 1.00 0.00 C ATOM 462 O PHE A 33 2.227 6.470 8.208 1.00 0.00 O ATOM 463 CB PHE A 33 -0.614 7.996 9.138 1.00 0.00 C ATOM 464 CG PHE A 33 -0.221 7.211 10.391 1.00 0.00 C ATOM 465 CD1 PHE A 33 0.944 7.494 11.034 1.00 0.00 C ATOM 466 CD2 PHE A 33 -1.037 6.231 10.863 1.00 0.00 C ATOM 467 CE1 PHE A 33 1.309 6.765 12.196 1.00 0.00 C ATOM 468 CE2 PHE A 33 -0.672 5.502 12.026 1.00 0.00 C ATOM 469 CZ PHE A 33 0.493 5.785 12.668 1.00 0.00 C ATOM 0 H PHE A 33 -1.075 8.826 6.939 1.00 0.00 H new ATOM 0 HA PHE A 33 1.325 8.783 8.507 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.964 8.985 9.436 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.452 7.494 8.655 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.591 8.274 10.660 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.963 6.007 10.354 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.235 6.989 12.705 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.320 4.723 12.400 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.770 5.231 13.553 1.00 0.00 H new ATOM 478 N LEU A 34 0.318 5.985 7.097 1.00 0.00 N ATOM 479 CA LEU A 34 0.745 4.647 6.724 1.00 0.00 C ATOM 480 C LEU A 34 2.073 4.730 5.970 1.00 0.00 C ATOM 481 O LEU A 34 3.038 4.056 6.328 1.00 0.00 O ATOM 482 CB LEU A 34 -0.360 3.930 5.946 1.00 0.00 C ATOM 483 CG LEU A 34 -1.680 3.720 6.692 1.00 0.00 C ATOM 484 CD1 LEU A 34 -2.823 3.435 5.715 1.00 0.00 C ATOM 485 CD2 LEU A 34 -1.543 2.623 7.750 1.00 0.00 C ATOM 0 H LEU A 34 -0.613 6.243 6.769 1.00 0.00 H new ATOM 0 HA LEU A 34 0.922 4.042 7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.565 4.498 5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.017 2.956 5.634 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.927 4.643 7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.749 3.290 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.937 4.278 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.598 2.534 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.495 2.494 8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.261 1.687 7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.776 2.906 8.471 1.00 0.00 H new ATOM 496 N ALA A 35 2.081 5.563 4.940 1.00 0.00 N ATOM 497 CA ALA A 35 3.276 5.744 4.133 1.00 0.00 C ATOM 498 C ALA A 35 4.465 6.036 5.048 1.00 0.00 C ATOM 499 O ALA A 35 5.596 5.663 4.742 1.00 0.00 O ATOM 500 CB ALA A 35 3.038 6.858 3.111 1.00 0.00 C ATOM 0 H ALA A 35 1.279 6.120 4.646 1.00 0.00 H new ATOM 0 HA ALA A 35 3.505 4.835 3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.934 6.994 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.202 6.588 2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.808 7.787 3.632 1.00 0.00 H new ATOM 506 N SER A 36 4.170 6.703 6.155 1.00 0.00 N ATOM 507 CA SER A 36 5.201 7.050 7.118 1.00 0.00 C ATOM 508 C SER A 36 5.829 5.779 7.693 1.00 0.00 C ATOM 509 O SER A 36 7.039 5.723 7.908 1.00 0.00 O ATOM 510 CB SER A 36 4.634 7.919 8.243 1.00 0.00 C ATOM 511 OG SER A 36 5.389 9.114 8.425 1.00 0.00 O ATOM 0 H SER A 36 3.231 7.012 6.406 1.00 0.00 H new ATOM 0 HA SER A 36 5.970 7.626 6.603 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.599 8.175 8.017 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.626 7.350 9.172 1.00 0.00 H new ATOM 0 HG SER A 36 4.995 9.643 9.150 1.00 0.00 H new ATOM 516 N HIS A 37 4.979 4.791 7.926 1.00 0.00 N ATOM 517 CA HIS A 37 5.436 3.524 8.473 1.00 0.00 C ATOM 518 C HIS A 37 6.523 2.938 7.571 1.00 0.00 C ATOM 519 O HIS A 37 7.329 2.122 8.013 1.00 0.00 O ATOM 520 CB HIS A 37 4.260 2.567 8.682 1.00 0.00 C ATOM 521 CG HIS A 37 4.125 2.062 10.099 1.00 0.00 C ATOM 522 ND1 HIS A 37 4.885 1.019 10.599 1.00 0.00 N ATOM 523 CD2 HIS A 37 3.312 2.468 11.117 1.00 0.00 C ATOM 524 CE1 HIS A 37 4.535 0.814 11.860 1.00 0.00 C ATOM 525 NE2 HIS A 37 3.560 1.713 12.179 1.00 0.00 N ATOM 0 H HIS A 37 3.976 4.841 7.746 1.00 0.00 H new ATOM 0 HA HIS A 37 5.877 3.686 9.457 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.338 3.073 8.398 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.375 1.715 8.012 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.589 3.269 11.067 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.949 0.066 12.520 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.098 1.792 13.085 1.00 0.00 H new ATOM 532 N PHE A 38 6.510 3.378 6.321 1.00 0.00 N ATOM 533 CA PHE A 38 7.486 2.908 5.352 1.00 0.00 C ATOM 534 C PHE A 38 8.508 3.999 5.029 1.00 0.00 C ATOM 535 O PHE A 38 8.219 4.920 4.266 1.00 0.00 O ATOM 536 CB PHE A 38 6.716 2.554 4.078 1.00 0.00 C ATOM 537 CG PHE A 38 5.817 1.323 4.217 1.00 0.00 C ATOM 538 CD1 PHE A 38 6.365 0.078 4.234 1.00 0.00 C ATOM 539 CD2 PHE A 38 4.469 1.473 4.321 1.00 0.00 C ATOM 540 CE1 PHE A 38 5.531 -1.063 4.363 1.00 0.00 C ATOM 541 CE2 PHE A 38 3.635 0.332 4.450 1.00 0.00 C ATOM 542 CZ PHE A 38 4.184 -0.913 4.467 1.00 0.00 C ATOM 0 H PHE A 38 5.839 4.055 5.957 1.00 0.00 H new ATOM 0 HA PHE A 38 8.025 2.050 5.754 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.104 3.407 3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.428 2.382 3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.435 -0.042 4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.033 2.461 4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.967 -2.051 4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.565 0.452 4.535 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.550 -1.782 4.563 1.00 0.00 H new ATOM 551 N PRO A 39 9.714 3.856 5.641 1.00 0.00 N ATOM 552 CA PRO A 39 10.781 4.818 5.426 1.00 0.00 C ATOM 553 C PRO A 39 11.420 4.631 4.049 1.00 0.00 C ATOM 554 O PRO A 39 12.644 4.604 3.926 1.00 0.00 O ATOM 555 CB PRO A 39 11.756 4.587 6.570 1.00 0.00 C ATOM 556 CG PRO A 39 11.439 3.204 7.114 1.00 0.00 C ATOM 557 CD PRO A 39 10.092 2.778 6.551 1.00 0.00 C ATOM 0 HA PRO A 39 10.424 5.848 5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.787 4.643 6.222 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.639 5.347 7.343 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.214 2.494 6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.409 3.220 8.203 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.165 1.825 6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.354 2.651 7.343 1.00 0.00 H new ATOM 562 N ASN A 40 10.562 4.506 3.047 1.00 0.00 N ATOM 563 CA ASN A 40 11.028 4.322 1.682 1.00 0.00 C ATOM 564 C ASN A 40 9.822 4.140 0.757 1.00 0.00 C ATOM 565 O ASN A 40 9.860 3.327 -0.164 1.00 0.00 O ATOM 566 CB ASN A 40 11.907 3.076 1.564 1.00 0.00 C ATOM 567 CG ASN A 40 11.219 1.859 2.184 1.00 0.00 C ATOM 568 OD1 ASN A 40 10.109 1.930 2.688 1.00 0.00 O ATOM 569 ND2 ASN A 40 11.937 0.740 2.121 1.00 0.00 N ATOM 0 H ASN A 40 9.548 4.528 3.152 1.00 0.00 H new ATOM 0 HA ASN A 40 11.609 5.201 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.126 2.879 0.515 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.861 3.251 2.061 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.565 -0.127 2.508 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.859 0.750 1.685 1.00 0.00 H new ATOM 575 N ARG A 41 8.781 4.912 1.036 1.00 0.00 N ATOM 576 CA ARG A 41 7.567 4.845 0.240 1.00 0.00 C ATOM 577 C ARG A 41 6.865 6.205 0.231 1.00 0.00 C ATOM 578 O ARG A 41 7.389 7.183 0.762 1.00 0.00 O ATOM 579 CB ARG A 41 6.608 3.787 0.786 1.00 0.00 C ATOM 580 CG ARG A 41 6.885 2.420 0.158 1.00 0.00 C ATOM 581 CD ARG A 41 6.334 2.350 -1.268 1.00 0.00 C ATOM 582 NE ARG A 41 7.399 2.685 -2.240 1.00 0.00 N ATOM 583 CZ ARG A 41 8.501 1.932 -2.444 1.00 0.00 C ATOM 584 NH1 ARG A 41 8.691 0.792 -1.747 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.389 2.326 -3.337 1.00 0.00 N ATOM 0 H ARG A 41 8.753 5.586 1.801 1.00 0.00 H new ATOM 0 HA ARG A 41 7.850 4.571 -0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.712 3.721 1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.579 4.083 0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.959 2.232 0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.431 1.638 0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.948 1.350 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.499 3.042 -1.378 1.00 0.00 H new ATOM 0 HE ARG A 41 7.294 3.538 -2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.999 0.493 -1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.526 0.229 -1.908 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.237 3.188 -3.861 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.227 1.769 -3.503 1.00 0.00 H new ATOM 595 N THR A 42 5.688 6.223 -0.379 1.00 0.00 N ATOM 596 CA THR A 42 4.908 7.445 -0.464 1.00 0.00 C ATOM 597 C THR A 42 3.412 7.129 -0.403 1.00 0.00 C ATOM 598 O THR A 42 2.962 6.130 -0.962 1.00 0.00 O ATOM 599 CB THR A 42 5.322 8.182 -1.739 1.00 0.00 C ATOM 600 OG1 THR A 42 4.741 7.414 -2.789 1.00 0.00 O ATOM 601 CG2 THR A 42 6.827 8.095 -2.003 1.00 0.00 C ATOM 0 H THR A 42 5.256 5.410 -0.819 1.00 0.00 H new ATOM 0 HA THR A 42 5.104 8.099 0.385 1.00 0.00 H new ATOM 0 HB THR A 42 5.026 9.228 -1.665 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.131 7.979 -3.308 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.067 8.634 -2.919 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.369 8.539 -1.168 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.118 7.050 -2.110 1.00 0.00 H new ATOM 609 N ASP A 43 2.684 7.998 0.281 1.00 0.00 N ATOM 610 CA ASP A 43 1.249 7.825 0.422 1.00 0.00 C ATOM 611 C ASP A 43 0.664 7.345 -0.909 1.00 0.00 C ATOM 612 O ASP A 43 -0.245 6.517 -0.929 1.00 0.00 O ATOM 613 CB ASP A 43 0.567 9.145 0.789 1.00 0.00 C ATOM 614 CG ASP A 43 1.012 10.353 -0.036 1.00 0.00 C ATOM 615 OD1 ASP A 43 2.197 10.721 -0.043 1.00 0.00 O ATOM 616 OD2 ASP A 43 0.071 10.936 -0.700 1.00 0.00 O ATOM 0 H ASP A 43 3.061 8.825 0.744 1.00 0.00 H new ATOM 0 HA ASP A 43 1.074 7.097 1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.510 9.024 0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.756 9.354 1.842 1.00 0.00 H new ATOM 621 N GLN A 44 1.209 7.887 -1.987 1.00 0.00 N ATOM 622 CA GLN A 44 0.753 7.525 -3.318 1.00 0.00 C ATOM 623 C GLN A 44 1.078 6.059 -3.610 1.00 0.00 C ATOM 624 O GLN A 44 0.186 5.274 -3.930 1.00 0.00 O ATOM 625 CB GLN A 44 1.368 8.443 -4.377 1.00 0.00 C ATOM 626 CG GLN A 44 0.290 9.011 -5.302 1.00 0.00 C ATOM 627 CD GLN A 44 0.120 8.138 -6.548 1.00 0.00 C ATOM 628 OE1 GLN A 44 0.739 8.352 -7.577 1.00 0.00 O ATOM 629 NE2 GLN A 44 -0.751 7.144 -6.396 1.00 0.00 N ATOM 0 H GLN A 44 1.962 8.574 -1.966 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.329 7.652 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.902 9.259 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.100 7.888 -4.964 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.657 9.075 -4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.557 10.025 -5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.235 7.022 -5.507 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.935 6.504 -7.169 1.00 0.00 H new ATOM 636 N GLN A 45 2.357 5.733 -3.490 1.00 0.00 N ATOM 637 CA GLN A 45 2.809 4.374 -3.737 1.00 0.00 C ATOM 638 C GLN A 45 1.964 3.380 -2.937 1.00 0.00 C ATOM 639 O GLN A 45 1.582 2.330 -3.453 1.00 0.00 O ATOM 640 CB GLN A 45 4.294 4.223 -3.403 1.00 0.00 C ATOM 641 CG GLN A 45 5.156 5.079 -4.334 1.00 0.00 C ATOM 642 CD GLN A 45 5.772 4.229 -5.447 1.00 0.00 C ATOM 643 OE1 GLN A 45 5.170 3.300 -5.961 1.00 0.00 O ATOM 644 NE2 GLN A 45 7.004 4.597 -5.789 1.00 0.00 N ATOM 0 H GLN A 45 3.094 6.386 -3.225 1.00 0.00 H new ATOM 0 HA GLN A 45 2.684 4.156 -4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.469 4.516 -2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.586 3.176 -3.492 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.549 5.872 -4.771 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.947 5.562 -3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.450 5.384 -5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.502 4.092 -6.522 1.00 0.00 H new ATOM 651 N CYS A 46 1.697 3.745 -1.693 1.00 0.00 N ATOM 652 CA CYS A 46 0.904 2.899 -0.818 1.00 0.00 C ATOM 653 C CYS A 46 -0.502 2.780 -1.408 1.00 0.00 C ATOM 654 O CYS A 46 -0.887 1.719 -1.898 1.00 0.00 O ATOM 655 CB CYS A 46 0.878 3.433 0.616 1.00 0.00 C ATOM 656 SG CYS A 46 2.321 2.799 1.547 1.00 0.00 S ATOM 0 H CYS A 46 2.016 4.616 -1.269 1.00 0.00 H new ATOM 0 HA CYS A 46 1.357 1.909 -0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.891 4.523 0.607 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.045 3.129 1.109 1.00 0.00 H new ATOM 0 HG CYS A 46 2.864 1.818 0.890 1.00 0.00 H new ATOM 661 N GLN A 47 -1.230 3.885 -1.344 1.00 0.00 N ATOM 662 CA GLN A 47 -2.586 3.919 -1.867 1.00 0.00 C ATOM 663 C GLN A 47 -2.641 3.253 -3.243 1.00 0.00 C ATOM 664 O GLN A 47 -3.507 2.417 -3.498 1.00 0.00 O ATOM 665 CB GLN A 47 -3.113 5.354 -1.932 1.00 0.00 C ATOM 666 CG GLN A 47 -4.633 5.372 -2.113 1.00 0.00 C ATOM 667 CD GLN A 47 -5.294 6.316 -1.107 1.00 0.00 C ATOM 668 OE1 GLN A 47 -4.653 7.138 -0.474 1.00 0.00 O ATOM 669 NE2 GLN A 47 -6.609 6.151 -0.995 1.00 0.00 N ATOM 0 H GLN A 47 -0.907 4.763 -0.938 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.230 3.360 -1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.846 5.885 -1.019 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.638 5.883 -2.759 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.878 5.686 -3.127 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.030 4.365 -1.987 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.084 5.443 -1.556 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.143 6.732 -0.349 1.00 0.00 H new ATOM 676 N TYR A 48 -1.705 3.647 -4.094 1.00 0.00 N ATOM 677 CA TYR A 48 -1.636 3.098 -5.438 1.00 0.00 C ATOM 678 C TYR A 48 -1.380 1.590 -5.401 1.00 0.00 C ATOM 679 O TYR A 48 -2.215 0.804 -5.849 1.00 0.00 O ATOM 680 CB TYR A 48 -0.450 3.788 -6.115 1.00 0.00 C ATOM 681 CG TYR A 48 -0.155 3.275 -7.526 1.00 0.00 C ATOM 682 CD1 TYR A 48 0.552 2.102 -7.700 1.00 0.00 C ATOM 683 CD2 TYR A 48 -0.594 3.986 -8.624 1.00 0.00 C ATOM 684 CE1 TYR A 48 0.830 1.621 -9.028 1.00 0.00 C ATOM 685 CE2 TYR A 48 -0.317 3.504 -9.953 1.00 0.00 C ATOM 686 CZ TYR A 48 0.383 2.344 -10.089 1.00 0.00 C ATOM 687 OH TYR A 48 0.645 1.889 -11.343 1.00 0.00 O ATOM 0 H TYR A 48 -0.988 4.340 -3.879 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.574 3.262 -5.969 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.645 4.859 -6.162 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.438 3.652 -5.497 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.896 1.546 -6.841 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.146 4.904 -8.487 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.382 0.705 -9.178 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.656 4.050 -10.821 1.00 0.00 H new ATOM 0 HH TYR A 48 0.932 0.953 -11.298 1.00 0.00 H new ATOM 696 N ARG A 49 -0.224 1.230 -4.865 1.00 0.00 N ATOM 697 CA ARG A 49 0.152 -0.170 -4.764 1.00 0.00 C ATOM 698 C ARG A 49 -0.979 -0.978 -4.126 1.00 0.00 C ATOM 699 O ARG A 49 -1.063 -2.191 -4.315 1.00 0.00 O ATOM 700 CB ARG A 49 1.424 -0.340 -3.931 1.00 0.00 C ATOM 701 CG ARG A 49 1.704 -1.818 -3.654 1.00 0.00 C ATOM 702 CD ARG A 49 2.112 -2.550 -4.935 1.00 0.00 C ATOM 703 NE ARG A 49 2.030 -4.013 -4.731 1.00 0.00 N ATOM 704 CZ ARG A 49 2.751 -4.915 -5.429 1.00 0.00 C ATOM 705 NH1 ARG A 49 3.615 -4.511 -6.385 1.00 0.00 N ATOM 706 NH2 ARG A 49 2.600 -6.199 -5.162 1.00 0.00 N ATOM 0 H ARG A 49 0.466 1.884 -4.495 1.00 0.00 H new ATOM 0 HA ARG A 49 0.341 -0.536 -5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.270 0.102 -4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.320 0.197 -2.988 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.497 -1.908 -2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.816 -2.287 -3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.461 -2.252 -5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.127 -2.270 -5.216 1.00 0.00 H new ATOM 0 HE ARG A 49 1.389 -4.361 -4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.727 -3.517 -6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.156 -5.200 -6.908 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.946 -6.496 -4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.137 -6.894 -5.680 1.00 0.00 H new ATOM 716 N TRP A 50 -1.821 -0.274 -3.383 1.00 0.00 N ATOM 717 CA TRP A 50 -2.944 -0.912 -2.716 1.00 0.00 C ATOM 718 C TRP A 50 -4.114 -0.957 -3.700 1.00 0.00 C ATOM 719 O TRP A 50 -4.597 -2.033 -4.047 1.00 0.00 O ATOM 720 CB TRP A 50 -3.287 -0.191 -1.411 1.00 0.00 C ATOM 721 CG TRP A 50 -4.702 -0.469 -0.900 1.00 0.00 C ATOM 722 CD1 TRP A 50 -5.864 -0.061 -1.430 1.00 0.00 C ATOM 723 CD2 TRP A 50 -5.060 -1.234 0.269 1.00 0.00 C ATOM 724 NE1 TRP A 50 -6.940 -0.508 -0.691 1.00 0.00 N ATOM 725 CE2 TRP A 50 -6.436 -1.243 0.375 1.00 0.00 C ATOM 726 CE3 TRP A 50 -4.248 -1.898 1.205 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.121 -1.900 1.404 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -4.948 -2.549 2.228 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.333 -2.569 2.350 1.00 0.00 C ATOM 0 H TRP A 50 -1.748 0.732 -3.228 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.693 -1.933 -2.427 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -2.570 -0.487 -0.645 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.170 0.882 -1.559 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -5.947 0.541 -2.323 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -7.925 -0.331 -0.891 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.170 -1.905 1.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.199 -1.892 1.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.371 -3.073 2.976 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.799 -3.097 3.169 1.00 0.00 H new ATOM 739 N LEU A 51 -4.538 0.226 -4.122 1.00 0.00 N ATOM 740 CA LEU A 51 -5.642 0.335 -5.058 1.00 0.00 C ATOM 741 C LEU A 51 -5.262 -0.353 -6.371 1.00 0.00 C ATOM 742 O LEU A 51 -6.098 -0.506 -7.260 1.00 0.00 O ATOM 743 CB LEU A 51 -6.059 1.797 -5.228 1.00 0.00 C ATOM 744 CG LEU A 51 -6.960 2.369 -4.132 1.00 0.00 C ATOM 745 CD1 LEU A 51 -7.239 3.854 -4.372 1.00 0.00 C ATOM 746 CD2 LEU A 51 -8.251 1.557 -4.005 1.00 0.00 C ATOM 0 H LEU A 51 -4.136 1.117 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.521 -0.180 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.157 2.407 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.573 1.899 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.434 2.289 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.882 4.236 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.299 4.405 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.736 3.980 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.874 1.984 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.792 1.583 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.008 0.524 -3.754 1.00 0.00 H new ATOM 757 N ARG A 52 -4.000 -0.748 -6.451 1.00 0.00 N ATOM 758 CA ARG A 52 -3.499 -1.415 -7.640 1.00 0.00 C ATOM 759 C ARG A 52 -3.337 -2.915 -7.380 1.00 0.00 C ATOM 760 O ARG A 52 -3.769 -3.739 -8.184 1.00 0.00 O ATOM 761 CB ARG A 52 -2.153 -0.832 -8.074 1.00 0.00 C ATOM 762 CG ARG A 52 -2.333 0.546 -8.713 1.00 0.00 C ATOM 763 CD ARG A 52 -3.400 0.506 -9.809 1.00 0.00 C ATOM 764 NE ARG A 52 -3.096 1.516 -10.848 1.00 0.00 N ATOM 765 CZ ARG A 52 -2.253 1.307 -11.881 1.00 0.00 C ATOM 766 NH1 ARG A 52 -1.621 0.123 -12.022 1.00 0.00 N ATOM 767 NH2 ARG A 52 -2.055 2.280 -12.752 1.00 0.00 N ATOM 0 H ARG A 52 -3.310 -0.619 -5.711 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.225 -1.257 -8.438 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.492 -0.753 -7.211 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.673 -1.506 -8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.617 1.271 -7.950 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.386 0.882 -9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.437 -0.488 -10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.383 0.699 -9.379 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.552 2.426 -10.779 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.779 -0.623 -11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.986 -0.026 -12.806 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.536 3.172 -12.638 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.421 2.139 -13.539 1.00 0.00 H new ATOM 777 N VAL A 53 -2.715 -3.222 -6.251 1.00 0.00 N ATOM 778 CA VAL A 53 -2.491 -4.608 -5.875 1.00 0.00 C ATOM 779 C VAL A 53 -3.386 -4.959 -4.686 1.00 0.00 C ATOM 780 O VAL A 53 -4.252 -5.827 -4.790 1.00 0.00 O ATOM 781 CB VAL A 53 -1.004 -4.840 -5.594 1.00 0.00 C ATOM 782 CG1 VAL A 53 -0.738 -6.300 -5.225 1.00 0.00 C ATOM 783 CG2 VAL A 53 -0.147 -4.409 -6.785 1.00 0.00 C ATOM 0 H VAL A 53 -2.360 -2.536 -5.585 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.761 -5.275 -6.694 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.724 -4.223 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.326 -6.438 -5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.307 -6.559 -4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.043 -6.945 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.905 -4.584 -6.559 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.430 -4.986 -7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.304 -3.348 -6.981 1.00 0.00 H new ATOM 793 N LEU A 54 -3.146 -4.268 -3.581 1.00 0.00 N ATOM 794 CA LEU A 54 -3.921 -4.496 -2.372 1.00 0.00 C ATOM 795 C LEU A 54 -5.313 -3.885 -2.541 1.00 0.00 C ATOM 796 O LEU A 54 -5.645 -2.898 -1.887 1.00 0.00 O ATOM 797 CB LEU A 54 -3.166 -3.978 -1.146 1.00 0.00 C ATOM 798 CG LEU A 54 -1.640 -4.083 -1.204 1.00 0.00 C ATOM 799 CD1 LEU A 54 -1.012 -3.667 0.126 1.00 0.00 C ATOM 800 CD2 LEU A 54 -1.203 -5.485 -1.632 1.00 0.00 C ATOM 0 H LEU A 54 -2.426 -3.550 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.060 -5.564 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.433 -2.932 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.515 -4.526 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.278 -3.388 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.073 -3.751 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.283 -2.635 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.377 -4.318 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.115 -5.533 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.577 -6.217 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.606 -5.706 -2.620 1.00 0.00 H new ATOM 811 N SER A 55 -6.090 -4.497 -3.422 1.00 0.00 N ATOM 812 CA SER A 55 -7.440 -4.025 -3.685 1.00 0.00 C ATOM 813 C SER A 55 -8.241 -5.109 -4.411 1.00 0.00 C ATOM 814 O SER A 55 -9.277 -5.553 -3.919 1.00 0.00 O ATOM 815 CB SER A 55 -7.422 -2.737 -4.509 1.00 0.00 C ATOM 816 OG SER A 55 -8.669 -2.499 -5.156 1.00 0.00 O ATOM 0 H SER A 55 -5.811 -5.316 -3.963 1.00 0.00 H new ATOM 0 HA SER A 55 -7.918 -3.807 -2.730 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.184 -1.895 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.631 -2.796 -5.257 1.00 0.00 H new ATOM 0 HG SER A 55 -8.617 -1.667 -5.671 1.00 0.00 H new ATOM 821 N GLY A 56 -7.729 -5.503 -5.567 1.00 0.00 N ATOM 822 CA GLY A 56 -8.384 -6.526 -6.365 1.00 0.00 C ATOM 823 C GLY A 56 -7.658 -6.730 -7.697 1.00 0.00 C ATOM 824 O GLY A 56 -8.147 -6.312 -8.745 1.00 0.00 O ATOM 0 H GLY A 56 -6.868 -5.133 -5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.407 -7.465 -5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.419 -6.240 -6.551 1.00 0.00 H new ATOM 828 N PRO A 57 -6.472 -7.391 -7.609 1.00 0.00 N ATOM 829 CA PRO A 57 -5.674 -7.656 -8.794 1.00 0.00 C ATOM 830 C PRO A 57 -6.283 -8.789 -9.622 1.00 0.00 C ATOM 831 O PRO A 57 -6.574 -8.611 -10.804 1.00 0.00 O ATOM 832 CB PRO A 57 -4.286 -7.985 -8.267 1.00 0.00 C ATOM 833 CG PRO A 57 -4.471 -8.346 -6.803 1.00 0.00 C ATOM 834 CD PRO A 57 -5.862 -7.901 -6.384 1.00 0.00 C ATOM 0 HA PRO A 57 -5.636 -6.806 -9.475 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.844 -8.813 -8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.614 -7.134 -8.377 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.354 -9.420 -6.657 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.713 -7.857 -6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.436 -8.731 -5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.816 -7.131 -5.614 1.00 0.00 H new ATOM 839 N SER A 58 -6.459 -9.928 -8.970 1.00 0.00 N ATOM 840 CA SER A 58 -7.028 -11.090 -9.632 1.00 0.00 C ATOM 841 C SER A 58 -8.416 -11.390 -9.061 1.00 0.00 C ATOM 842 O SER A 58 -8.543 -11.765 -7.896 1.00 0.00 O ATOM 843 CB SER A 58 -6.117 -12.311 -9.482 1.00 0.00 C ATOM 844 OG SER A 58 -6.346 -13.275 -10.506 1.00 0.00 O ATOM 0 H SER A 58 -6.218 -10.072 -7.989 1.00 0.00 H new ATOM 0 HA SER A 58 -7.120 -10.867 -10.695 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.075 -11.992 -9.510 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.283 -12.770 -8.508 1.00 0.00 H new ATOM 0 HG SER A 58 -5.745 -14.038 -10.377 1.00 0.00 H new ATOM 849 N SER A 59 -9.419 -11.215 -9.907 1.00 0.00 N ATOM 850 CA SER A 59 -10.793 -11.462 -9.501 1.00 0.00 C ATOM 851 C SER A 59 -11.199 -10.477 -8.404 1.00 0.00 C ATOM 852 O SER A 59 -10.346 -9.826 -7.802 1.00 0.00 O ATOM 853 CB SER A 59 -10.972 -12.901 -9.017 1.00 0.00 C ATOM 854 OG SER A 59 -10.792 -13.846 -10.069 1.00 0.00 O ATOM 0 H SER A 59 -9.309 -10.905 -10.872 1.00 0.00 H new ATOM 0 HA SER A 59 -11.438 -11.316 -10.367 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.258 -13.106 -8.219 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.968 -13.019 -8.591 1.00 0.00 H new ATOM 0 HG SER A 59 -10.913 -14.753 -9.718 1.00 0.00 H new ATOM 859 N GLY A 60 -12.501 -10.399 -8.176 1.00 0.00 N ATOM 860 CA GLY A 60 -13.032 -9.504 -7.161 1.00 0.00 C ATOM 861 C GLY A 60 -12.740 -8.045 -7.510 1.00 0.00 C ATOM 862 O GLY A 60 -13.300 -7.506 -8.464 1.00 0.00 O ATOM 0 H GLY A 60 -13.205 -10.941 -8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.108 -9.651 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.593 -9.745 -6.193 1.00 0.00 H new TER 866 GLY A 60