USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 606 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 60 THR OG1 : rot 180:sc= 0.137 USER MOD Set 1.2: A 61 GLN :FLIP amide:sc= -0.648 F(o=-2,f=-0.51) USER MOD Set 2.1: A 56 ASN : amide:sc= -1.02 K(o=-5,f=-12!) USER MOD Set 2.2: A 58 ASN :FLIP amide:sc= -4.03! C(o=-7.7!,f=-5!) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= -0.0995 (180deg=-0.795) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -4.08! C(o=-4.1!,f=-11!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 8:sc= 0.454 USER MOD Single : A 17 CYS SG : rot 112:sc= -7.3! USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot -2:sc= 0.739 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 3:sc= -0.17 USER MOD Single : A 44 LYS NZ :NH3+ 151:sc= -0.182 (180deg=-0.894) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 10:sc= -7.63! USER MOD Single : A 57 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.33) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0488) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 69 THR OG1 : rot -130:sc= -0.241 USER MOD Single : A 70 HIS : no HD1:sc= -0.607! C(o=-0.61!,f=-4.7!) USER MOD Single : A 71 TYR OH : rot -65:sc= 0.106 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 12.893 -1.765 -3.736 1.00 0.00 N ATOM 21 CA GLU A 2 11.511 -1.715 -4.289 1.00 0.00 C ATOM 22 C GLU A 2 10.718 -2.930 -3.805 1.00 0.00 C ATOM 23 O GLU A 2 11.201 -4.045 -3.817 1.00 0.00 O ATOM 24 CB GLU A 2 11.574 -1.722 -5.817 1.00 0.00 C ATOM 25 CG GLU A 2 12.186 -3.040 -6.294 1.00 0.00 C ATOM 26 CD GLU A 2 12.554 -2.926 -7.774 1.00 0.00 C ATOM 27 OE1 GLU A 2 13.101 -1.903 -8.151 1.00 0.00 O ATOM 28 OE2 GLU A 2 12.283 -3.864 -8.506 1.00 0.00 O ATOM 0 HA GLU A 2 11.018 -0.804 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.574 -1.601 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.171 -0.882 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.072 -3.276 -5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.479 -3.856 -6.146 1.00 0.00 H new ATOM 35 N TRP A 3 9.500 -2.722 -3.380 1.00 0.00 N ATOM 36 CA TRP A 3 8.660 -3.857 -2.892 1.00 0.00 C ATOM 37 C TRP A 3 7.741 -4.327 -4.022 1.00 0.00 C ATOM 38 O TRP A 3 7.767 -3.797 -5.115 1.00 0.00 O ATOM 39 CB TRP A 3 7.809 -3.386 -1.710 1.00 0.00 C ATOM 40 CG TRP A 3 8.701 -2.872 -0.625 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.480 -1.770 -0.716 1.00 0.00 C ATOM 42 CD2 TRP A 3 8.916 -3.416 0.710 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.161 -1.605 0.477 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.846 -2.594 1.387 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.399 -4.534 1.391 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.251 -2.870 2.693 1.00 0.00 C ATOM 47 CZ3 TRP A 3 8.804 -4.814 2.706 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.727 -3.984 3.355 1.00 0.00 C ATOM 0 H TRP A 3 9.047 -1.809 -3.349 1.00 0.00 H new ATOM 0 HA TRP A 3 9.302 -4.679 -2.575 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.122 -2.603 -2.032 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.201 -4.209 -1.335 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.558 -1.125 -1.579 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.816 -0.845 0.662 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.687 -5.180 0.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.964 -2.228 3.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.401 -5.674 3.220 1.00 0.00 H new ATOM 0 HH2 TRP A 3 10.034 -4.205 4.367 1.00 0.00 H new ATOM 59 N TRP A 4 6.925 -5.318 -3.765 1.00 0.00 N ATOM 60 CA TRP A 4 5.995 -5.829 -4.820 1.00 0.00 C ATOM 61 C TRP A 4 4.644 -6.154 -4.183 1.00 0.00 C ATOM 62 O TRP A 4 4.548 -6.991 -3.307 1.00 0.00 O ATOM 63 CB TRP A 4 6.580 -7.097 -5.444 1.00 0.00 C ATOM 64 CG TRP A 4 7.927 -6.796 -6.018 1.00 0.00 C ATOM 65 CD1 TRP A 4 8.146 -6.142 -7.182 1.00 0.00 C ATOM 66 CD2 TRP A 4 9.241 -7.122 -5.478 1.00 0.00 C ATOM 67 NE1 TRP A 4 9.510 -6.046 -7.390 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.227 -6.635 -6.368 1.00 0.00 C ATOM 69 CE3 TRP A 4 9.668 -7.786 -4.314 1.00 0.00 C ATOM 70 CZ2 TRP A 4 11.589 -6.801 -6.112 1.00 0.00 C ATOM 71 CZ3 TRP A 4 11.037 -7.956 -4.054 1.00 0.00 C ATOM 72 CH2 TRP A 4 11.995 -7.465 -4.952 1.00 0.00 C ATOM 0 H TRP A 4 6.862 -5.797 -2.867 1.00 0.00 H new ATOM 0 HA TRP A 4 5.865 -5.071 -5.593 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.661 -7.881 -4.691 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.916 -7.471 -6.224 1.00 0.00 H new ATOM 0 HD1 TRP A 4 7.381 -5.758 -7.841 1.00 0.00 H new ATOM 0 HE1 TRP A 4 9.935 -5.595 -8.200 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.938 -8.168 -3.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 12.323 -6.419 -6.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 11.354 -8.468 -3.157 1.00 0.00 H new ATOM 0 HH2 TRP A 4 13.047 -7.600 -4.747 1.00 0.00 H new ATOM 83 N VAL A 5 3.598 -5.498 -4.608 1.00 0.00 N ATOM 84 CA VAL A 5 2.260 -5.777 -4.013 1.00 0.00 C ATOM 85 C VAL A 5 1.745 -7.131 -4.503 1.00 0.00 C ATOM 86 O VAL A 5 1.708 -7.403 -5.686 1.00 0.00 O ATOM 87 CB VAL A 5 1.275 -4.680 -4.419 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.746 -3.338 -3.860 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.196 -4.596 -5.946 1.00 0.00 C ATOM 0 H VAL A 5 3.612 -4.785 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 5 2.352 -5.798 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 5 0.289 -4.916 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.044 -2.556 -4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.798 -3.395 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.733 -3.104 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.493 -3.813 -6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.182 -4.363 -6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.857 -5.552 -6.346 1.00 0.00 H new ATOM 99 N LYS A 6 1.340 -7.985 -3.598 1.00 0.00 N ATOM 100 CA LYS A 6 0.817 -9.325 -4.000 1.00 0.00 C ATOM 101 C LYS A 6 -0.705 -9.250 -4.137 1.00 0.00 C ATOM 102 O LYS A 6 -1.304 -9.950 -4.929 1.00 0.00 O ATOM 103 CB LYS A 6 1.181 -10.354 -2.927 1.00 0.00 C ATOM 104 CG LYS A 6 0.832 -11.757 -3.427 1.00 0.00 C ATOM 105 CD LYS A 6 1.124 -12.779 -2.325 1.00 0.00 C ATOM 106 CE LYS A 6 0.840 -14.188 -2.847 1.00 0.00 C ATOM 107 NZ LYS A 6 1.726 -14.475 -4.011 1.00 0.00 N ATOM 0 H LYS A 6 1.349 -7.811 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 6 1.257 -9.621 -4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.244 -10.293 -2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.641 -10.140 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.219 -11.802 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.413 -11.992 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.164 -12.700 -2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.507 -12.573 -1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.010 -14.921 -2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.206 -14.274 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.803 -15.504 -4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.323 -14.045 -4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.670 -14.077 -3.835 1.00 0.00 H new ATOM 121 N LYS A 7 -1.335 -8.400 -3.369 1.00 0.00 N ATOM 122 CA LYS A 7 -2.819 -8.269 -3.447 1.00 0.00 C ATOM 123 C LYS A 7 -3.222 -6.864 -2.993 1.00 0.00 C ATOM 124 O LYS A 7 -2.450 -6.155 -2.378 1.00 0.00 O ATOM 125 CB LYS A 7 -3.470 -9.311 -2.535 1.00 0.00 C ATOM 126 CG LYS A 7 -4.955 -9.448 -2.883 1.00 0.00 C ATOM 127 CD LYS A 7 -5.565 -10.590 -2.070 1.00 0.00 C ATOM 128 CE LYS A 7 -7.025 -10.787 -2.482 1.00 0.00 C ATOM 129 NZ LYS A 7 -7.537 -12.061 -1.902 1.00 0.00 N ATOM 0 H LYS A 7 -0.883 -7.789 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.151 -8.431 -4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.970 -10.272 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.357 -9.016 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.477 -8.515 -2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.073 -9.642 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.002 -11.509 -2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.504 -10.366 -1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.628 -9.948 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.107 -10.811 -3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.530 -12.196 -2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.967 -12.857 -2.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.472 -12.021 -0.865 1.00 0.00 H new ATOM 143 N VAL A 8 -4.424 -6.452 -3.292 1.00 0.00 N ATOM 144 CA VAL A 8 -4.866 -5.091 -2.877 1.00 0.00 C ATOM 145 C VAL A 8 -6.392 -4.999 -2.947 1.00 0.00 C ATOM 146 O VAL A 8 -7.033 -5.700 -3.705 1.00 0.00 O ATOM 147 CB VAL A 8 -4.244 -4.049 -3.811 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.522 -4.436 -5.265 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.850 -2.669 -3.525 1.00 0.00 C ATOM 0 H VAL A 8 -5.117 -6.998 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.543 -4.902 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.168 -4.012 -3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.079 -3.694 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.087 -5.414 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.598 -4.476 -5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.405 -1.931 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.927 -2.703 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.650 -2.391 -2.490 1.00 0.00 H new ATOM 159 N GLN A 9 -6.976 -4.131 -2.156 1.00 0.00 N ATOM 160 CA GLN A 9 -8.465 -3.965 -2.156 1.00 0.00 C ATOM 161 C GLN A 9 -8.805 -2.479 -2.316 1.00 0.00 C ATOM 162 O GLN A 9 -8.433 -1.657 -1.503 1.00 0.00 O ATOM 163 CB GLN A 9 -9.031 -4.476 -0.829 1.00 0.00 C ATOM 164 CG GLN A 9 -8.395 -5.826 -0.491 1.00 0.00 C ATOM 165 CD GLN A 9 -9.186 -6.494 0.637 1.00 0.00 C ATOM 166 OE1 GLN A 9 -9.752 -7.553 0.451 1.00 0.00 O ATOM 167 NE2 GLN A 9 -9.249 -5.916 1.805 1.00 0.00 N ATOM 0 H GLN A 9 -6.480 -3.524 -1.504 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.899 -4.532 -2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.829 -3.758 -0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.114 -4.579 -0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.386 -6.467 -1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.357 -5.686 -0.188 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.774 -5.027 1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.774 -6.353 2.563 1.00 0.00 H new ATOM 176 N ASP A 10 -9.507 -2.132 -3.360 1.00 0.00 N ATOM 177 CA ASP A 10 -9.869 -0.702 -3.577 1.00 0.00 C ATOM 178 C ASP A 10 -10.617 -0.166 -2.353 1.00 0.00 C ATOM 179 O ASP A 10 -10.954 -0.903 -1.448 1.00 0.00 O ATOM 180 CB ASP A 10 -10.764 -0.584 -4.812 1.00 0.00 C ATOM 181 CG ASP A 10 -11.995 -1.473 -4.638 1.00 0.00 C ATOM 182 OD1 ASP A 10 -12.594 -1.420 -3.576 1.00 0.00 O ATOM 183 OD2 ASP A 10 -12.319 -2.193 -5.568 1.00 0.00 O ATOM 0 H ASP A 10 -9.846 -2.778 -4.073 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.960 -0.120 -3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.069 0.453 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.212 -0.880 -5.704 1.00 0.00 H new ATOM 188 N ASN A 11 -10.877 1.113 -2.320 1.00 0.00 N ATOM 189 CA ASN A 11 -11.601 1.698 -1.156 1.00 0.00 C ATOM 190 C ASN A 11 -13.087 1.346 -1.250 1.00 0.00 C ATOM 191 O ASN A 11 -13.929 2.206 -1.415 1.00 0.00 O ATOM 192 CB ASN A 11 -11.440 3.221 -1.164 1.00 0.00 C ATOM 193 CG ASN A 11 -11.946 3.780 -2.494 1.00 0.00 C ATOM 194 OD1 ASN A 11 -12.243 3.036 -3.407 1.00 0.00 O ATOM 195 ND2 ASN A 11 -12.057 5.073 -2.644 1.00 0.00 N ATOM 0 H ASN A 11 -10.619 1.778 -3.049 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.187 1.293 -0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.997 3.661 -0.337 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.393 3.487 -1.020 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.393 5.457 -3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.808 5.699 -1.878 1.00 0.00 H new ATOM 202 N ALA A 12 -13.415 0.089 -1.145 1.00 0.00 N ATOM 203 CA ALA A 12 -14.846 -0.313 -1.227 1.00 0.00 C ATOM 204 C ALA A 12 -15.539 0.006 0.100 1.00 0.00 C ATOM 205 O ALA A 12 -16.743 -0.091 0.220 1.00 0.00 O ATOM 206 CB ALA A 12 -14.937 -1.815 -1.505 1.00 0.00 C ATOM 0 H ALA A 12 -12.755 -0.676 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.335 0.235 -2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.984 -2.111 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.441 -2.041 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.451 -2.364 -0.699 1.00 0.00 H new ATOM 212 N SER A 13 -14.786 0.384 1.099 1.00 0.00 N ATOM 213 CA SER A 13 -15.401 0.709 2.420 1.00 0.00 C ATOM 214 C SER A 13 -15.814 2.182 2.446 1.00 0.00 C ATOM 215 O SER A 13 -16.917 2.517 2.827 1.00 0.00 O ATOM 216 CB SER A 13 -14.381 0.450 3.531 1.00 0.00 C ATOM 217 OG SER A 13 -14.215 -0.951 3.698 1.00 0.00 O ATOM 0 H SER A 13 -13.772 0.482 1.058 1.00 0.00 H new ATOM 0 HA SER A 13 -16.280 0.083 2.574 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.427 0.914 3.280 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.719 0.902 4.464 1.00 0.00 H new ATOM 0 HG SER A 13 -13.561 -1.121 4.408 1.00 0.00 H new ATOM 223 N ALA A 14 -14.937 3.063 2.041 1.00 0.00 N ATOM 224 CA ALA A 14 -15.278 4.516 2.041 1.00 0.00 C ATOM 225 C ALA A 14 -14.052 5.325 1.601 1.00 0.00 C ATOM 226 O ALA A 14 -14.075 6.010 0.597 1.00 0.00 O ATOM 227 CB ALA A 14 -15.700 4.946 3.454 1.00 0.00 C ATOM 0 H ALA A 14 -13.999 2.839 1.710 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.101 4.697 1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.949 6.007 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.571 4.370 3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.880 4.767 4.149 1.00 0.00 H new ATOM 233 N SER A 15 -12.983 5.253 2.348 1.00 0.00 N ATOM 234 CA SER A 15 -11.754 6.018 1.981 1.00 0.00 C ATOM 235 C SER A 15 -10.523 5.299 2.531 1.00 0.00 C ATOM 236 O SER A 15 -9.526 5.915 2.849 1.00 0.00 O ATOM 237 CB SER A 15 -11.831 7.420 2.584 1.00 0.00 C ATOM 238 OG SER A 15 -12.784 8.190 1.863 1.00 0.00 O ATOM 0 H SER A 15 -12.907 4.696 3.199 1.00 0.00 H new ATOM 0 HA SER A 15 -11.681 6.089 0.896 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.114 7.361 3.635 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.853 7.900 2.544 1.00 0.00 H new ATOM 0 HG SER A 15 -13.258 7.613 1.228 1.00 0.00 H new ATOM 244 N LEU A 16 -10.588 3.996 2.645 1.00 0.00 N ATOM 245 CA LEU A 16 -9.428 3.215 3.174 1.00 0.00 C ATOM 246 C LEU A 16 -9.165 2.021 2.259 1.00 0.00 C ATOM 247 O LEU A 16 -10.076 1.343 1.828 1.00 0.00 O ATOM 248 CB LEU A 16 -9.750 2.709 4.582 1.00 0.00 C ATOM 249 CG LEU A 16 -10.124 3.886 5.491 1.00 0.00 C ATOM 250 CD1 LEU A 16 -10.717 3.346 6.794 1.00 0.00 C ATOM 251 CD2 LEU A 16 -8.879 4.727 5.808 1.00 0.00 C ATOM 0 H LEU A 16 -11.402 3.435 2.392 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.546 3.854 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.573 1.995 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.890 2.181 4.993 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.855 4.514 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.985 4.179 7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.607 2.758 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.982 2.716 7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.157 5.560 6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.140 4.106 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.455 5.113 4.881 1.00 0.00 H new ATOM 263 N CYS A 17 -7.918 1.763 1.961 1.00 0.00 N ATOM 264 CA CYS A 17 -7.553 0.617 1.071 1.00 0.00 C ATOM 265 C CYS A 17 -6.474 -0.214 1.761 1.00 0.00 C ATOM 266 O CYS A 17 -5.713 0.291 2.557 1.00 0.00 O ATOM 267 CB CYS A 17 -7.013 1.156 -0.256 1.00 0.00 C ATOM 268 SG CYS A 17 -8.390 1.706 -1.291 1.00 0.00 S ATOM 0 H CYS A 17 -7.124 2.306 2.301 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.430 -0.000 0.878 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.329 1.985 -0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.444 0.381 -0.771 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.351 3.000 -1.414 1.00 0.00 H new ATOM 274 N ARG A 18 -6.404 -1.487 1.468 1.00 0.00 N ATOM 275 CA ARG A 18 -5.366 -2.361 2.105 1.00 0.00 C ATOM 276 C ARG A 18 -4.460 -2.931 1.016 1.00 0.00 C ATOM 277 O ARG A 18 -4.910 -3.273 -0.061 1.00 0.00 O ATOM 278 CB ARG A 18 -6.052 -3.507 2.851 1.00 0.00 C ATOM 279 CG ARG A 18 -6.982 -2.935 3.923 1.00 0.00 C ATOM 280 CD ARG A 18 -7.426 -4.055 4.867 1.00 0.00 C ATOM 281 NE ARG A 18 -8.594 -3.595 5.669 1.00 0.00 N ATOM 282 CZ ARG A 18 -8.900 -4.201 6.784 1.00 0.00 C ATOM 283 NH1 ARG A 18 -8.181 -5.209 7.197 1.00 0.00 N ATOM 284 NH2 ARG A 18 -9.924 -3.799 7.486 1.00 0.00 N ATOM 0 H ARG A 18 -7.023 -1.963 0.812 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.773 -1.777 2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.620 -4.121 2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.305 -4.154 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.469 -2.154 4.485 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.852 -2.473 3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.692 -4.944 4.294 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.605 -4.335 5.528 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.155 -2.806 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.380 -5.523 6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.420 -5.683 8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.486 -3.011 7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.163 -4.273 8.357 1.00 0.00 H new ATOM 298 N VAL A 19 -3.183 -3.027 1.285 1.00 0.00 N ATOM 299 CA VAL A 19 -2.228 -3.567 0.266 1.00 0.00 C ATOM 300 C VAL A 19 -1.265 -4.550 0.925 1.00 0.00 C ATOM 301 O VAL A 19 -0.701 -4.279 1.967 1.00 0.00 O ATOM 302 CB VAL A 19 -1.412 -2.419 -0.334 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.340 -1.457 -1.074 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.682 -1.669 0.786 1.00 0.00 C ATOM 0 H VAL A 19 -2.757 -2.754 2.171 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.798 -4.072 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.682 -2.824 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.755 -0.642 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.854 -1.990 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.074 -1.052 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.101 -0.852 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.411 -1.267 1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.014 -2.354 1.308 1.00 0.00 H new ATOM 314 N VAL A 20 -1.053 -5.682 0.310 1.00 0.00 N ATOM 315 CA VAL A 20 -0.101 -6.679 0.880 1.00 0.00 C ATOM 316 C VAL A 20 1.253 -6.488 0.199 1.00 0.00 C ATOM 317 O VAL A 20 1.403 -6.739 -0.981 1.00 0.00 O ATOM 318 CB VAL A 20 -0.611 -8.098 0.613 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.316 -9.108 1.294 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.025 -8.245 1.180 1.00 0.00 C ATOM 0 H VAL A 20 -1.499 -5.960 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.010 -6.536 1.957 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.627 -8.283 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.046 -10.119 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.325 -9.003 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.330 -8.923 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.390 -9.255 0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.007 -8.061 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.687 -7.524 0.699 1.00 0.00 H new ATOM 330 N LEU A 21 2.239 -6.027 0.922 1.00 0.00 N ATOM 331 CA LEU A 21 3.582 -5.799 0.302 1.00 0.00 C ATOM 332 C LEU A 21 4.480 -7.014 0.542 1.00 0.00 C ATOM 333 O LEU A 21 4.709 -7.420 1.665 1.00 0.00 O ATOM 334 CB LEU A 21 4.224 -4.562 0.936 1.00 0.00 C ATOM 335 CG LEU A 21 3.177 -3.456 1.071 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.845 -2.183 1.591 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.546 -3.182 -0.299 1.00 0.00 C ATOM 0 H LEU A 21 2.175 -5.798 1.914 1.00 0.00 H new ATOM 0 HA LEU A 21 3.463 -5.648 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.632 -4.813 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.056 -4.217 0.323 1.00 0.00 H new ATOM 0 HG LEU A 21 2.403 -3.770 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.099 -1.394 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.294 -2.379 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.619 -1.867 0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.799 -2.394 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.320 -2.867 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.070 -4.090 -0.669 1.00 0.00 H new ATOM 349 N GLN A 22 4.989 -7.596 -0.515 1.00 0.00 N ATOM 350 CA GLN A 22 5.878 -8.791 -0.380 1.00 0.00 C ATOM 351 C GLN A 22 7.334 -8.369 -0.572 1.00 0.00 C ATOM 352 O GLN A 22 7.634 -7.456 -1.317 1.00 0.00 O ATOM 353 CB GLN A 22 5.503 -9.822 -1.447 1.00 0.00 C ATOM 354 CG GLN A 22 6.485 -10.993 -1.394 1.00 0.00 C ATOM 355 CD GLN A 22 5.925 -12.166 -2.201 1.00 0.00 C ATOM 356 OE1 GLN A 22 5.586 -12.016 -3.358 1.00 0.00 O ATOM 357 NE2 GLN A 22 5.812 -13.337 -1.635 1.00 0.00 N ATOM 0 H GLN A 22 4.825 -7.291 -1.475 1.00 0.00 H new ATOM 0 HA GLN A 22 5.755 -9.227 0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.486 -10.179 -1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.523 -9.362 -2.435 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.451 -10.689 -1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.651 -11.296 -0.360 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.096 -13.464 -0.664 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.439 -14.125 -2.164 1.00 0.00 H new ATOM 366 N SER A 23 8.244 -9.029 0.097 1.00 0.00 N ATOM 367 CA SER A 23 9.690 -8.672 -0.040 1.00 0.00 C ATOM 368 C SER A 23 10.540 -9.941 0.055 1.00 0.00 C ATOM 369 O SER A 23 10.821 -10.434 1.129 1.00 0.00 O ATOM 370 CB SER A 23 10.084 -7.711 1.082 1.00 0.00 C ATOM 371 OG SER A 23 10.273 -8.443 2.286 1.00 0.00 O ATOM 0 H SER A 23 8.049 -9.801 0.734 1.00 0.00 H new ATOM 0 HA SER A 23 9.857 -8.194 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.999 -7.182 0.818 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.309 -6.957 1.219 1.00 0.00 H new ATOM 0 HG SER A 23 10.080 -9.390 2.126 1.00 0.00 H new ATOM 377 N GLY A 24 10.953 -10.473 -1.062 1.00 0.00 N ATOM 378 CA GLY A 24 11.786 -11.709 -1.037 1.00 0.00 C ATOM 379 C GLY A 24 10.914 -12.908 -0.661 1.00 0.00 C ATOM 380 O GLY A 24 10.878 -13.904 -1.357 1.00 0.00 O ATOM 0 H GLY A 24 10.750 -10.105 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.244 -11.871 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.598 -11.598 -0.319 1.00 0.00 H new ATOM 384 N ALA A 25 10.210 -12.821 0.434 1.00 0.00 N ATOM 385 CA ALA A 25 9.341 -13.956 0.853 1.00 0.00 C ATOM 386 C ALA A 25 8.444 -13.511 2.011 1.00 0.00 C ATOM 387 O ALA A 25 7.327 -13.965 2.153 1.00 0.00 O ATOM 388 CB ALA A 25 10.215 -15.128 1.306 1.00 0.00 C ATOM 0 H ALA A 25 10.199 -12.013 1.056 1.00 0.00 H new ATOM 0 HA ALA A 25 8.721 -14.269 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.579 -15.959 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.854 -15.445 0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.835 -14.816 2.147 1.00 0.00 H new ATOM 394 N LEU A 26 8.925 -12.624 2.839 1.00 0.00 N ATOM 395 CA LEU A 26 8.100 -12.150 3.985 1.00 0.00 C ATOM 396 C LEU A 26 6.972 -11.257 3.465 1.00 0.00 C ATOM 397 O LEU A 26 7.197 -10.340 2.700 1.00 0.00 O ATOM 398 CB LEU A 26 8.981 -11.356 4.955 1.00 0.00 C ATOM 399 CG LEU A 26 10.314 -12.082 5.151 1.00 0.00 C ATOM 400 CD1 LEU A 26 11.136 -11.358 6.217 1.00 0.00 C ATOM 401 CD2 LEU A 26 10.050 -13.523 5.601 1.00 0.00 C ATOM 0 H LEU A 26 9.854 -12.207 2.771 1.00 0.00 H new ATOM 0 HA LEU A 26 7.672 -13.007 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.156 -10.353 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.473 -11.242 5.913 1.00 0.00 H new ATOM 0 HG LEU A 26 10.865 -12.090 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.086 -11.874 6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.324 -10.333 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.585 -11.350 7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.999 -14.040 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.499 -13.515 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.464 -14.040 4.841 1.00 0.00 H new ATOM 413 N GLU A 27 5.757 -11.515 3.880 1.00 0.00 N ATOM 414 CA GLU A 27 4.601 -10.687 3.421 1.00 0.00 C ATOM 415 C GLU A 27 4.210 -9.712 4.530 1.00 0.00 C ATOM 416 O GLU A 27 4.477 -9.942 5.693 1.00 0.00 O ATOM 417 CB GLU A 27 3.413 -11.599 3.105 1.00 0.00 C ATOM 418 CG GLU A 27 3.892 -12.791 2.274 1.00 0.00 C ATOM 419 CD GLU A 27 2.693 -13.662 1.892 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.586 -13.305 2.259 1.00 0.00 O ATOM 421 OE2 GLU A 27 2.903 -14.671 1.240 1.00 0.00 O ATOM 0 H GLU A 27 5.515 -12.270 4.522 1.00 0.00 H new ATOM 0 HA GLU A 27 4.881 -10.133 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.953 -11.948 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.650 -11.044 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.401 -12.441 1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.614 -13.377 2.842 1.00 0.00 H new ATOM 428 N MET A 28 3.581 -8.621 4.183 1.00 0.00 N ATOM 429 CA MET A 28 3.174 -7.627 5.219 1.00 0.00 C ATOM 430 C MET A 28 1.847 -6.987 4.811 1.00 0.00 C ATOM 431 O MET A 28 1.584 -6.781 3.644 1.00 0.00 O ATOM 432 CB MET A 28 4.251 -6.546 5.330 1.00 0.00 C ATOM 433 CG MET A 28 5.629 -7.206 5.414 1.00 0.00 C ATOM 434 SD MET A 28 6.880 -5.948 5.770 1.00 0.00 S ATOM 435 CE MET A 28 8.269 -7.078 6.031 1.00 0.00 C ATOM 0 H MET A 28 3.331 -8.375 3.225 1.00 0.00 H new ATOM 0 HA MET A 28 3.056 -8.124 6.182 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.206 -5.882 4.466 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.076 -5.932 6.213 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.632 -7.968 6.193 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.861 -7.709 4.475 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.165 -6.504 6.269 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.040 -7.752 6.857 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.440 -7.660 5.125 1.00 0.00 H new ATOM 445 N ILE A 29 1.013 -6.666 5.768 1.00 0.00 N ATOM 446 CA ILE A 29 -0.309 -6.029 5.460 1.00 0.00 C ATOM 447 C ILE A 29 -0.278 -4.590 5.966 1.00 0.00 C ATOM 448 O ILE A 29 0.248 -4.312 7.026 1.00 0.00 O ATOM 449 CB ILE A 29 -1.428 -6.804 6.168 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.610 -8.163 5.489 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.740 -6.019 6.080 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.508 -9.049 6.355 1.00 0.00 C ATOM 0 H ILE A 29 1.192 -6.819 6.761 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.495 -6.043 4.386 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.160 -6.945 7.215 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.053 -8.032 4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.641 -8.641 5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.531 -6.574 6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.616 -5.048 6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.008 -5.875 5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.638 -10.017 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.046 -9.190 7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.480 -8.572 6.478 1.00 0.00 H new ATOM 464 N ALA A 30 -0.820 -3.664 5.220 1.00 0.00 N ATOM 465 CA ALA A 30 -0.793 -2.243 5.674 1.00 0.00 C ATOM 466 C ALA A 30 -2.033 -1.499 5.191 1.00 0.00 C ATOM 467 O ALA A 30 -2.467 -1.652 4.067 1.00 0.00 O ATOM 468 CB ALA A 30 0.459 -1.568 5.107 1.00 0.00 C ATOM 0 H ALA A 30 -1.277 -3.828 4.323 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.778 -2.217 6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.490 -0.528 5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.347 -2.088 5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.432 -1.607 4.018 1.00 0.00 H new ATOM 474 N GLU A 31 -2.590 -0.667 6.029 1.00 0.00 N ATOM 475 CA GLU A 31 -3.784 0.115 5.610 1.00 0.00 C ATOM 476 C GLU A 31 -3.304 1.233 4.686 1.00 0.00 C ATOM 477 O GLU A 31 -2.159 1.631 4.737 1.00 0.00 O ATOM 478 CB GLU A 31 -4.472 0.710 6.842 1.00 0.00 C ATOM 479 CG GLU A 31 -5.302 -0.371 7.538 1.00 0.00 C ATOM 480 CD GLU A 31 -4.402 -1.558 7.889 1.00 0.00 C ATOM 481 OE1 GLU A 31 -3.532 -1.389 8.727 1.00 0.00 O ATOM 482 OE2 GLU A 31 -4.601 -2.616 7.315 1.00 0.00 O ATOM 0 H GLU A 31 -2.270 -0.497 6.982 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.501 -0.523 5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.727 1.110 7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.112 1.541 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.759 0.032 8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.114 -0.696 6.888 1.00 0.00 H new ATOM 489 N ILE A 32 -4.156 1.729 3.826 1.00 0.00 N ATOM 490 CA ILE A 32 -3.735 2.807 2.874 1.00 0.00 C ATOM 491 C ILE A 32 -4.814 3.889 2.796 1.00 0.00 C ATOM 492 O ILE A 32 -5.992 3.617 2.911 1.00 0.00 O ATOM 493 CB ILE A 32 -3.534 2.186 1.483 1.00 0.00 C ATOM 494 CG1 ILE A 32 -2.328 1.227 1.499 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.317 3.279 0.437 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.014 1.958 1.840 1.00 0.00 C ATOM 0 H ILE A 32 -5.129 1.435 3.740 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.806 3.259 3.222 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.431 1.624 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.503 0.436 2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.234 0.747 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.176 2.822 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.187 3.935 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.432 3.861 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.190 1.244 1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.824 2.731 1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.098 2.416 2.826 1.00 0.00 H new ATOM 508 N GLU A 33 -4.404 5.118 2.591 1.00 0.00 N ATOM 509 CA GLU A 33 -5.377 6.250 2.489 1.00 0.00 C ATOM 510 C GLU A 33 -5.123 7.003 1.180 1.00 0.00 C ATOM 511 O GLU A 33 -4.180 7.760 1.064 1.00 0.00 O ATOM 512 CB GLU A 33 -5.165 7.202 3.670 1.00 0.00 C ATOM 513 CG GLU A 33 -6.362 8.148 3.789 1.00 0.00 C ATOM 514 CD GLU A 33 -6.138 9.110 4.956 1.00 0.00 C ATOM 515 OE1 GLU A 33 -5.992 8.635 6.070 1.00 0.00 O ATOM 516 OE2 GLU A 33 -6.116 10.307 4.716 1.00 0.00 O ATOM 0 H GLU A 33 -3.425 5.387 2.489 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.398 5.869 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.046 6.633 4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.249 7.775 3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.490 8.707 2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.277 7.576 3.946 1.00 0.00 H new ATOM 523 N ALA A 34 -5.949 6.797 0.188 1.00 0.00 N ATOM 524 CA ALA A 34 -5.741 7.500 -1.113 1.00 0.00 C ATOM 525 C ALA A 34 -7.068 7.604 -1.864 1.00 0.00 C ATOM 526 O ALA A 34 -8.132 7.496 -1.288 1.00 0.00 O ATOM 527 CB ALA A 34 -4.742 6.712 -1.964 1.00 0.00 C ATOM 0 H ALA A 34 -6.756 6.174 0.222 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.354 8.501 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.590 7.224 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.792 6.638 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.132 5.711 -2.150 1.00 0.00 H new ATOM 533 N CYS A 35 -7.008 7.812 -3.151 1.00 0.00 N ATOM 534 CA CYS A 35 -8.257 7.924 -3.957 1.00 0.00 C ATOM 535 C CYS A 35 -7.953 7.542 -5.406 1.00 0.00 C ATOM 536 O CYS A 35 -8.843 7.295 -6.195 1.00 0.00 O ATOM 537 CB CYS A 35 -8.770 9.365 -3.906 1.00 0.00 C ATOM 538 SG CYS A 35 -9.308 9.754 -2.222 1.00 0.00 S ATOM 0 H CYS A 35 -6.142 7.910 -3.682 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.017 7.256 -3.552 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.984 10.053 -4.216 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -9.599 9.492 -4.603 1.00 0.00 H new ATOM 0 HG CYS A 35 -9.072 8.738 -1.446 1.00 0.00 H new ATOM 544 N ARG A 36 -6.697 7.490 -5.761 1.00 0.00 N ATOM 545 CA ARG A 36 -6.330 7.121 -7.157 1.00 0.00 C ATOM 546 C ARG A 36 -6.579 5.626 -7.370 1.00 0.00 C ATOM 547 O ARG A 36 -6.982 5.200 -8.433 1.00 0.00 O ATOM 548 CB ARG A 36 -4.850 7.429 -7.393 1.00 0.00 C ATOM 549 CG ARG A 36 -4.576 8.899 -7.069 1.00 0.00 C ATOM 550 CD ARG A 36 -3.081 9.185 -7.218 1.00 0.00 C ATOM 551 NE ARG A 36 -2.768 10.516 -6.626 1.00 0.00 N ATOM 552 CZ ARG A 36 -3.073 11.606 -7.276 1.00 0.00 C ATOM 553 NH1 ARG A 36 -3.654 11.530 -8.442 1.00 0.00 N ATOM 554 NH2 ARG A 36 -2.799 12.772 -6.758 1.00 0.00 N ATOM 0 H ARG A 36 -5.910 7.687 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.937 7.695 -7.857 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.230 6.786 -6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.585 7.218 -8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.148 9.542 -7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.901 9.125 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.500 8.408 -6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.800 9.168 -8.271 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.316 10.575 -5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.870 10.619 -8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.892 12.382 -8.950 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.347 12.831 -5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.037 13.624 -7.265 1.00 0.00 H new ATOM 568 N LEU A 37 -6.344 4.828 -6.361 1.00 0.00 N ATOM 569 CA LEU A 37 -6.568 3.362 -6.495 1.00 0.00 C ATOM 570 C LEU A 37 -5.971 2.866 -7.817 1.00 0.00 C ATOM 571 O LEU A 37 -6.508 1.989 -8.463 1.00 0.00 O ATOM 572 CB LEU A 37 -8.071 3.081 -6.464 1.00 0.00 C ATOM 573 CG LEU A 37 -8.730 3.952 -5.393 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.210 3.576 -5.264 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.028 3.730 -4.049 1.00 0.00 C ATOM 0 H LEU A 37 -6.006 5.132 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.083 2.839 -5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.511 3.290 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.251 2.027 -6.252 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.646 5.001 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.678 4.197 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.711 3.736 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.296 2.527 -4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.498 4.351 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.110 2.681 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.976 4.000 -4.139 1.00 0.00 H new ATOM 587 N ARG A 38 -4.862 3.427 -8.222 1.00 0.00 N ATOM 588 CA ARG A 38 -4.223 2.998 -9.501 1.00 0.00 C ATOM 589 C ARG A 38 -3.255 1.846 -9.223 1.00 0.00 C ATOM 590 O ARG A 38 -2.466 1.462 -10.063 1.00 0.00 O ATOM 591 CB ARG A 38 -3.458 4.187 -10.102 1.00 0.00 C ATOM 592 CG ARG A 38 -3.250 3.974 -11.608 1.00 0.00 C ATOM 593 CD ARG A 38 -2.105 4.861 -12.102 1.00 0.00 C ATOM 594 NE ARG A 38 -2.170 4.978 -13.586 1.00 0.00 N ATOM 595 CZ ARG A 38 -1.831 3.964 -14.335 1.00 0.00 C ATOM 596 NH1 ARG A 38 -1.438 2.848 -13.786 1.00 0.00 N ATOM 597 NH2 ARG A 38 -1.886 4.067 -15.635 1.00 0.00 N ATOM 0 H ARG A 38 -4.370 4.166 -7.720 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.986 2.663 -10.204 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.012 5.110 -9.931 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.494 4.297 -9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.024 2.927 -11.809 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.166 4.212 -12.149 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.173 5.849 -11.646 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.147 4.437 -11.802 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.479 5.850 -14.016 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.395 2.767 -12.770 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.173 2.057 -14.373 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.194 4.939 -16.065 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.621 3.275 -16.221 1.00 0.00 H new ATOM 611 N LEU A 39 -3.308 1.293 -8.044 1.00 0.00 N ATOM 612 CA LEU A 39 -2.394 0.168 -7.704 1.00 0.00 C ATOM 613 C LEU A 39 -2.699 -1.024 -8.610 1.00 0.00 C ATOM 614 O LEU A 39 -3.726 -1.079 -9.257 1.00 0.00 O ATOM 615 CB LEU A 39 -2.605 -0.240 -6.243 1.00 0.00 C ATOM 616 CG LEU A 39 -2.572 0.997 -5.339 1.00 0.00 C ATOM 617 CD1 LEU A 39 -2.917 0.587 -3.903 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.174 1.627 -5.371 1.00 0.00 C ATOM 0 H LEU A 39 -3.947 1.572 -7.299 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.361 0.484 -7.848 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.561 -0.753 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.830 -0.943 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.301 1.725 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.894 1.466 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.914 0.146 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.189 -0.143 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.156 2.506 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.440 0.903 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.931 1.921 -6.392 1.00 0.00 H new ATOM 630 N ARG A 40 -1.816 -1.983 -8.658 1.00 0.00 N ATOM 631 CA ARG A 40 -2.057 -3.176 -9.519 1.00 0.00 C ATOM 632 C ARG A 40 -1.216 -4.348 -9.007 1.00 0.00 C ATOM 633 O ARG A 40 -0.266 -4.169 -8.275 1.00 0.00 O ATOM 634 CB ARG A 40 -1.661 -2.854 -10.962 1.00 0.00 C ATOM 635 CG ARG A 40 -2.252 -3.906 -11.904 1.00 0.00 C ATOM 636 CD ARG A 40 -1.953 -3.517 -13.354 1.00 0.00 C ATOM 637 NE ARG A 40 -2.647 -4.460 -14.275 1.00 0.00 N ATOM 638 CZ ARG A 40 -2.829 -4.133 -15.526 1.00 0.00 C ATOM 639 NH1 ARG A 40 -2.407 -2.980 -15.966 1.00 0.00 N ATOM 640 NH2 ARG A 40 -3.435 -4.959 -16.335 1.00 0.00 N ATOM 0 H ARG A 40 -0.938 -1.993 -8.139 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.113 -3.443 -9.486 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.021 -1.862 -11.236 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.575 -2.836 -11.056 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.828 -4.886 -11.684 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.329 -3.983 -11.751 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.285 -2.496 -13.544 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.878 -3.541 -13.534 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.980 -5.360 -13.929 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.935 -2.334 -15.333 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.549 -2.724 -16.943 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.766 -5.860 -15.990 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.577 -4.704 -17.312 1.00 0.00 H new ATOM 654 N GLU A 41 -1.559 -5.544 -9.387 1.00 0.00 N ATOM 655 CA GLU A 41 -0.781 -6.727 -8.922 1.00 0.00 C ATOM 656 C GLU A 41 0.603 -6.722 -9.575 1.00 0.00 C ATOM 657 O GLU A 41 0.737 -6.529 -10.768 1.00 0.00 O ATOM 658 CB GLU A 41 -1.522 -8.008 -9.309 1.00 0.00 C ATOM 659 CG GLU A 41 -2.736 -8.194 -8.396 1.00 0.00 C ATOM 660 CD GLU A 41 -3.731 -7.056 -8.630 1.00 0.00 C ATOM 661 OE1 GLU A 41 -3.828 -6.604 -9.759 1.00 0.00 O ATOM 662 OE2 GLU A 41 -4.380 -6.657 -7.677 1.00 0.00 O ATOM 0 H GLU A 41 -2.346 -5.756 -10.001 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.669 -6.683 -7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.842 -7.955 -10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.855 -8.866 -9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.212 -9.154 -8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.421 -8.207 -7.353 1.00 0.00 H new ATOM 669 N GLY A 42 1.634 -6.935 -8.803 1.00 0.00 N ATOM 670 CA GLY A 42 3.009 -6.946 -9.378 1.00 0.00 C ATOM 671 C GLY A 42 3.513 -5.511 -9.539 1.00 0.00 C ATOM 672 O GLY A 42 4.392 -5.237 -10.332 1.00 0.00 O ATOM 0 H GLY A 42 1.583 -7.102 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.681 -7.507 -8.728 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.005 -7.451 -10.344 1.00 0.00 H new ATOM 676 N ASP A 43 2.965 -4.591 -8.792 1.00 0.00 N ATOM 677 CA ASP A 43 3.417 -3.175 -8.906 1.00 0.00 C ATOM 678 C ASP A 43 4.710 -2.981 -8.112 1.00 0.00 C ATOM 679 O ASP A 43 4.853 -3.476 -7.007 1.00 0.00 O ATOM 680 CB ASP A 43 2.336 -2.245 -8.350 1.00 0.00 C ATOM 681 CG ASP A 43 2.633 -0.805 -8.774 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.783 -0.409 -8.686 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.705 -0.125 -9.179 1.00 0.00 O ATOM 0 H ASP A 43 2.226 -4.758 -8.109 1.00 0.00 H new ATOM 0 HA ASP A 43 3.597 -2.939 -9.955 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.356 -2.549 -8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.304 -2.316 -7.263 1.00 0.00 H new ATOM 688 N LYS A 44 5.652 -2.261 -8.669 1.00 0.00 N ATOM 689 CA LYS A 44 6.946 -2.019 -7.961 1.00 0.00 C ATOM 690 C LYS A 44 6.868 -0.693 -7.201 1.00 0.00 C ATOM 691 O LYS A 44 6.833 0.373 -7.792 1.00 0.00 O ATOM 692 CB LYS A 44 8.080 -1.949 -8.986 1.00 0.00 C ATOM 693 CG LYS A 44 7.998 -3.155 -9.923 1.00 0.00 C ATOM 694 CD LYS A 44 9.206 -3.153 -10.863 1.00 0.00 C ATOM 695 CE LYS A 44 8.970 -4.151 -11.999 1.00 0.00 C ATOM 696 NZ LYS A 44 7.825 -3.691 -12.834 1.00 0.00 N ATOM 0 H LYS A 44 5.579 -1.828 -9.590 1.00 0.00 H new ATOM 0 HA LYS A 44 7.136 -2.832 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.009 -1.025 -9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.044 -1.936 -8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.976 -4.078 -9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.074 -3.118 -10.500 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.363 -2.154 -11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.109 -3.419 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.867 -4.241 -12.611 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.762 -5.140 -11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.951 -4.026 -13.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.938 -4.073 -12.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.786 -2.652 -12.827 1.00 0.00 H new ATOM 710 N LEU A 45 6.838 -0.754 -5.892 1.00 0.00 N ATOM 711 CA LEU A 45 6.759 0.495 -5.071 1.00 0.00 C ATOM 712 C LEU A 45 8.151 0.848 -4.535 1.00 0.00 C ATOM 713 O LEU A 45 8.711 0.138 -3.724 1.00 0.00 O ATOM 714 CB LEU A 45 5.815 0.265 -3.884 1.00 0.00 C ATOM 715 CG LEU A 45 4.537 -0.433 -4.355 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.619 -0.674 -3.153 1.00 0.00 C ATOM 717 CD2 LEU A 45 3.816 0.453 -5.375 1.00 0.00 C ATOM 0 H LEU A 45 6.865 -1.620 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 45 6.386 1.309 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.312 -0.341 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.567 1.218 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 45 4.792 -1.386 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.708 -1.171 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.131 -1.303 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.364 0.281 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.906 -0.045 -5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.559 1.406 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.469 0.629 -6.230 1.00 0.00 H new ATOM 729 N THR A 46 8.710 1.946 -4.972 1.00 0.00 N ATOM 730 CA THR A 46 10.058 2.347 -4.477 1.00 0.00 C ATOM 731 C THR A 46 9.891 3.162 -3.183 1.00 0.00 C ATOM 732 O THR A 46 8.892 3.831 -3.003 1.00 0.00 O ATOM 733 CB THR A 46 10.745 3.212 -5.537 1.00 0.00 C ATOM 734 OG1 THR A 46 10.285 4.552 -5.424 1.00 0.00 O ATOM 735 CG2 THR A 46 10.415 2.675 -6.931 1.00 0.00 C ATOM 0 H THR A 46 8.291 2.582 -5.650 1.00 0.00 H new ATOM 0 HA THR A 46 10.663 1.462 -4.281 1.00 0.00 H new ATOM 0 HB THR A 46 11.824 3.183 -5.385 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.725 5.107 -6.101 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.905 3.292 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.768 1.647 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.336 2.702 -7.085 1.00 0.00 H new ATOM 743 N PRO A 47 10.849 3.114 -2.284 1.00 0.00 N ATOM 744 CA PRO A 47 10.775 3.872 -0.998 1.00 0.00 C ATOM 745 C PRO A 47 11.058 5.368 -1.189 1.00 0.00 C ATOM 746 O PRO A 47 11.964 5.750 -1.904 1.00 0.00 O ATOM 747 CB PRO A 47 11.868 3.218 -0.145 1.00 0.00 C ATOM 748 CG PRO A 47 12.890 2.765 -1.135 1.00 0.00 C ATOM 749 CD PRO A 47 12.105 2.343 -2.383 1.00 0.00 C ATOM 0 HA PRO A 47 9.783 3.829 -0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.292 3.925 0.568 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.475 2.381 0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.592 3.566 -1.367 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.474 1.934 -0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.649 2.580 -3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.916 1.270 -2.393 1.00 0.00 H new ATOM 757 N LEU A 48 10.295 6.218 -0.551 1.00 0.00 N ATOM 758 CA LEU A 48 10.530 7.685 -0.695 1.00 0.00 C ATOM 759 C LEU A 48 11.595 8.123 0.315 1.00 0.00 C ATOM 760 O LEU A 48 12.730 8.374 -0.036 1.00 0.00 O ATOM 761 CB LEU A 48 9.218 8.440 -0.429 1.00 0.00 C ATOM 762 CG LEU A 48 9.481 9.952 -0.316 1.00 0.00 C ATOM 763 CD1 LEU A 48 10.319 10.431 -1.506 1.00 0.00 C ATOM 764 CD2 LEU A 48 8.144 10.700 -0.302 1.00 0.00 C ATOM 0 H LEU A 48 9.521 5.960 0.062 1.00 0.00 H new ATOM 0 HA LEU A 48 10.873 7.909 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.510 8.247 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.761 8.074 0.491 1.00 0.00 H new ATOM 0 HG LEU A 48 10.026 10.151 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.499 11.502 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.272 9.902 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.783 10.230 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.327 11.771 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.601 10.493 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.551 10.369 0.550 1.00 0.00 H new ATOM 776 N ALA A 49 11.236 8.214 1.567 1.00 0.00 N ATOM 777 CA ALA A 49 12.227 8.635 2.596 1.00 0.00 C ATOM 778 C ALA A 49 11.630 8.445 3.993 1.00 0.00 C ATOM 779 O ALA A 49 12.183 7.755 4.826 1.00 0.00 O ATOM 780 CB ALA A 49 12.583 10.108 2.390 1.00 0.00 C ATOM 0 H ALA A 49 10.300 8.015 1.921 1.00 0.00 H new ATOM 0 HA ALA A 49 13.126 8.027 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.308 10.416 3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.012 10.243 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.683 10.716 2.483 1.00 0.00 H new ATOM 786 N ASP A 50 10.505 9.054 4.257 1.00 0.00 N ATOM 787 CA ASP A 50 9.876 8.910 5.602 1.00 0.00 C ATOM 788 C ASP A 50 9.093 7.597 5.667 1.00 0.00 C ATOM 789 O ASP A 50 9.196 6.849 6.620 1.00 0.00 O ATOM 790 CB ASP A 50 8.924 10.083 5.845 1.00 0.00 C ATOM 791 CG ASP A 50 7.862 10.116 4.745 1.00 0.00 C ATOM 792 OD1 ASP A 50 6.867 9.425 4.889 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.061 10.831 3.778 1.00 0.00 O ATOM 0 H ASP A 50 9.995 9.644 3.600 1.00 0.00 H new ATOM 0 HA ASP A 50 10.653 8.905 6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.449 9.983 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.480 11.020 5.856 1.00 0.00 H new ATOM 798 N ALA A 51 8.311 7.310 4.663 1.00 0.00 N ATOM 799 CA ALA A 51 7.521 6.044 4.671 1.00 0.00 C ATOM 800 C ALA A 51 6.752 5.915 3.356 1.00 0.00 C ATOM 801 O ALA A 51 6.634 4.844 2.797 1.00 0.00 O ATOM 802 CB ALA A 51 6.530 6.065 5.838 1.00 0.00 C ATOM 0 H ALA A 51 8.184 7.896 3.838 1.00 0.00 H new ATOM 0 HA ALA A 51 8.197 5.197 4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.954 5.140 5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.076 6.157 6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.854 6.913 5.726 1.00 0.00 H new ATOM 808 N ARG A 52 6.225 7.000 2.859 1.00 0.00 N ATOM 809 CA ARG A 52 5.460 6.934 1.584 1.00 0.00 C ATOM 810 C ARG A 52 6.302 6.216 0.530 1.00 0.00 C ATOM 811 O ARG A 52 7.505 6.108 0.656 1.00 0.00 O ATOM 812 CB ARG A 52 5.136 8.352 1.107 1.00 0.00 C ATOM 813 CG ARG A 52 4.643 9.187 2.289 1.00 0.00 C ATOM 814 CD ARG A 52 4.045 10.498 1.774 1.00 0.00 C ATOM 815 NE ARG A 52 3.839 11.433 2.918 1.00 0.00 N ATOM 816 CZ ARG A 52 3.429 12.652 2.698 1.00 0.00 C ATOM 817 NH1 ARG A 52 3.198 13.053 1.478 1.00 0.00 N ATOM 818 NH2 ARG A 52 3.249 13.469 3.699 1.00 0.00 N ATOM 0 H ARG A 52 6.291 7.927 3.280 1.00 0.00 H new ATOM 0 HA ARG A 52 4.530 6.388 1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.022 8.811 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.374 8.320 0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.895 8.631 2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.468 9.394 2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.710 10.949 1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.097 10.305 1.272 1.00 0.00 H new ATOM 0 HE ARG A 52 4.019 11.119 3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.338 12.413 0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.877 14.006 1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.429 13.155 4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.929 14.422 3.528 1.00 0.00 H new ATOM 832 N TYR A 53 5.675 5.721 -0.508 1.00 0.00 N ATOM 833 CA TYR A 53 6.424 5.000 -1.587 1.00 0.00 C ATOM 834 C TYR A 53 6.078 5.614 -2.942 1.00 0.00 C ATOM 835 O TYR A 53 5.222 6.469 -3.050 1.00 0.00 O ATOM 836 CB TYR A 53 6.021 3.525 -1.586 1.00 0.00 C ATOM 837 CG TYR A 53 6.302 2.921 -0.230 1.00 0.00 C ATOM 838 CD1 TYR A 53 5.386 3.088 0.814 1.00 0.00 C ATOM 839 CD2 TYR A 53 7.479 2.193 -0.020 1.00 0.00 C ATOM 840 CE1 TYR A 53 5.647 2.527 2.070 1.00 0.00 C ATOM 841 CE2 TYR A 53 7.739 1.631 1.237 1.00 0.00 C ATOM 842 CZ TYR A 53 6.823 1.798 2.281 1.00 0.00 C ATOM 843 OH TYR A 53 7.079 1.245 3.519 1.00 0.00 O ATOM 0 H TYR A 53 4.668 5.785 -0.657 1.00 0.00 H new ATOM 0 HA TYR A 53 7.495 5.088 -1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.962 3.427 -1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.573 2.987 -2.356 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.478 3.649 0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.186 2.065 -0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.940 2.657 2.876 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.647 1.069 1.400 1.00 0.00 H new ATOM 0 HH TYR A 53 7.936 0.771 3.495 1.00 0.00 H new ATOM 853 N CYS A 54 6.744 5.178 -3.981 1.00 0.00 N ATOM 854 CA CYS A 54 6.475 5.719 -5.349 1.00 0.00 C ATOM 855 C CYS A 54 6.393 4.552 -6.330 1.00 0.00 C ATOM 856 O CYS A 54 7.320 3.778 -6.463 1.00 0.00 O ATOM 857 CB CYS A 54 7.618 6.650 -5.756 1.00 0.00 C ATOM 858 SG CYS A 54 7.253 7.384 -7.368 1.00 0.00 S ATOM 0 H CYS A 54 7.470 4.463 -3.940 1.00 0.00 H new ATOM 0 HA CYS A 54 5.537 6.274 -5.356 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.747 7.433 -5.009 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.555 6.095 -5.801 1.00 0.00 H new ATOM 0 HG CYS A 54 6.025 7.115 -7.699 1.00 0.00 H new ATOM 864 N LEU A 55 5.290 4.405 -7.019 1.00 0.00 N ATOM 865 CA LEU A 55 5.161 3.273 -7.984 1.00 0.00 C ATOM 866 C LEU A 55 5.651 3.711 -9.361 1.00 0.00 C ATOM 867 O LEU A 55 5.475 4.844 -9.762 1.00 0.00 O ATOM 868 CB LEU A 55 3.693 2.823 -8.068 1.00 0.00 C ATOM 869 CG LEU A 55 2.761 4.019 -8.413 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.440 4.029 -9.916 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.446 3.897 -7.622 1.00 0.00 C ATOM 0 H LEU A 55 4.477 5.017 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 55 5.769 2.437 -7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.590 2.047 -8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.389 2.383 -7.118 1.00 0.00 H new ATOM 0 HG LEU A 55 3.271 4.945 -8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.787 4.872 -10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.365 4.123 -10.485 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.940 3.099 -10.188 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.795 4.737 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.948 2.964 -7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.662 3.904 -6.554 1.00 0.00 H new ATOM 883 N ASN A 56 6.272 2.820 -10.086 1.00 0.00 N ATOM 884 CA ASN A 56 6.780 3.180 -11.442 1.00 0.00 C ATOM 885 C ASN A 56 7.761 4.351 -11.331 1.00 0.00 C ATOM 886 O ASN A 56 8.121 4.966 -12.315 1.00 0.00 O ATOM 887 CB ASN A 56 5.606 3.575 -12.343 1.00 0.00 C ATOM 888 CG ASN A 56 6.060 3.575 -13.804 1.00 0.00 C ATOM 889 OD1 ASN A 56 6.757 4.472 -14.235 1.00 0.00 O ATOM 890 ND2 ASN A 56 5.692 2.600 -14.589 1.00 0.00 N ATOM 0 H ASN A 56 6.450 1.858 -9.798 1.00 0.00 H new ATOM 0 HA ASN A 56 7.293 2.321 -11.874 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.780 2.877 -12.208 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.238 4.563 -12.066 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.989 2.591 -15.565 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.107 1.847 -14.227 1.00 0.00 H new ATOM 897 N ASN A 57 8.200 4.654 -10.141 1.00 0.00 N ATOM 898 CA ASN A 57 9.168 5.775 -9.952 1.00 0.00 C ATOM 899 C ASN A 57 8.555 7.098 -10.425 1.00 0.00 C ATOM 900 O ASN A 57 9.216 7.904 -11.051 1.00 0.00 O ATOM 901 CB ASN A 57 10.446 5.486 -10.749 1.00 0.00 C ATOM 902 CG ASN A 57 11.588 6.360 -10.223 1.00 0.00 C ATOM 903 OD1 ASN A 57 11.797 7.458 -10.699 1.00 0.00 O ATOM 904 ND2 ASN A 57 12.342 5.914 -9.255 1.00 0.00 N ATOM 0 H ASN A 57 7.929 4.171 -9.285 1.00 0.00 H new ATOM 0 HA ASN A 57 9.407 5.860 -8.892 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.711 4.432 -10.661 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.280 5.686 -11.808 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.106 6.487 -8.898 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.167 4.992 -8.855 1.00 0.00 H new ATOM 911 N ASN A 58 7.301 7.334 -10.119 1.00 0.00 N ATOM 912 CA ASN A 58 6.631 8.609 -10.530 1.00 0.00 C ATOM 913 C ASN A 58 6.019 9.264 -9.279 1.00 0.00 C ATOM 914 O ASN A 58 4.883 9.001 -8.941 1.00 0.00 O ATOM 915 CB ASN A 58 5.519 8.292 -11.535 1.00 0.00 C ATOM 916 CG ASN A 58 6.040 7.308 -12.584 1.00 0.00 C ATOM 917 OD1 ASN A 58 7.324 7.220 -12.798 1.00 0.00 O flip ATOM 918 ND2 ASN A 58 5.268 6.616 -13.219 1.00 0.00 N flip ATOM 0 H ASN A 58 6.707 6.690 -9.596 1.00 0.00 H new ATOM 0 HA ASN A 58 7.353 9.284 -10.990 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.659 7.867 -11.018 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.180 9.208 -12.018 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.264 6.685 -13.051 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.624 5.966 -13.920 1.00 0.00 H new ATOM 925 N PRO A 59 6.768 10.093 -8.582 1.00 0.00 N ATOM 926 CA PRO A 59 6.282 10.767 -7.337 1.00 0.00 C ATOM 927 C PRO A 59 4.867 11.342 -7.481 1.00 0.00 C ATOM 928 O PRO A 59 4.264 11.779 -6.522 1.00 0.00 O ATOM 929 CB PRO A 59 7.309 11.882 -7.117 1.00 0.00 C ATOM 930 CG PRO A 59 8.576 11.339 -7.691 1.00 0.00 C ATOM 931 CD PRO A 59 8.158 10.484 -8.895 1.00 0.00 C ATOM 0 HA PRO A 59 6.204 10.070 -6.502 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.009 12.803 -7.617 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.421 12.116 -6.058 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.243 12.145 -7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.114 10.741 -6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.215 11.048 -9.826 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.803 9.613 -9.010 1.00 0.00 H new ATOM 939 N THR A 60 4.332 11.336 -8.669 1.00 0.00 N ATOM 940 CA THR A 60 2.957 11.871 -8.873 1.00 0.00 C ATOM 941 C THR A 60 1.939 10.816 -8.427 1.00 0.00 C ATOM 942 O THR A 60 0.776 11.104 -8.223 1.00 0.00 O ATOM 943 CB THR A 60 2.750 12.181 -10.361 1.00 0.00 C ATOM 944 OG1 THR A 60 1.374 12.036 -10.687 1.00 0.00 O ATOM 945 CG2 THR A 60 3.582 11.213 -11.211 1.00 0.00 C ATOM 0 H THR A 60 4.788 10.983 -9.510 1.00 0.00 H new ATOM 0 HA THR A 60 2.824 12.782 -8.289 1.00 0.00 H new ATOM 0 HB THR A 60 3.068 13.204 -10.565 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.240 12.235 -11.637 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.433 11.436 -12.267 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.637 11.325 -10.962 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.268 10.189 -11.008 1.00 0.00 H new ATOM 953 N GLN A 61 2.380 9.593 -8.284 1.00 0.00 N ATOM 954 CA GLN A 61 1.474 8.478 -7.858 1.00 0.00 C ATOM 955 C GLN A 61 2.078 7.780 -6.639 1.00 0.00 C ATOM 956 O GLN A 61 2.469 6.631 -6.707 1.00 0.00 O ATOM 957 CB GLN A 61 1.327 7.466 -8.996 1.00 0.00 C ATOM 958 CG GLN A 61 0.905 8.184 -10.278 1.00 0.00 C ATOM 959 CD GLN A 61 -0.517 8.724 -10.117 1.00 0.00 C ATOM 960 OE1 GLN A 61 -1.529 7.910 -10.250 1.00 0.00 O flip ATOM 961 NE2 GLN A 61 -0.711 9.897 -9.869 1.00 0.00 N flip ATOM 0 H GLN A 61 3.347 9.313 -8.447 1.00 0.00 H new ATOM 0 HA GLN A 61 0.494 8.884 -7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.271 6.944 -9.155 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.586 6.712 -8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.593 9.001 -10.493 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.951 7.498 -11.124 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.079 10.534 -9.765 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.664 10.245 -9.765 1.00 0.00 H new ATOM 970 N THR A 62 2.184 8.463 -5.528 1.00 0.00 N ATOM 971 CA THR A 62 2.796 7.832 -4.318 1.00 0.00 C ATOM 972 C THR A 62 1.702 7.249 -3.424 1.00 0.00 C ATOM 973 O THR A 62 0.526 7.356 -3.712 1.00 0.00 O ATOM 974 CB THR A 62 3.575 8.891 -3.536 1.00 0.00 C ATOM 975 OG1 THR A 62 2.694 9.942 -3.161 1.00 0.00 O ATOM 976 CG2 THR A 62 4.698 9.451 -4.409 1.00 0.00 C ATOM 0 H THR A 62 1.875 9.427 -5.406 1.00 0.00 H new ATOM 0 HA THR A 62 3.468 7.033 -4.631 1.00 0.00 H new ATOM 0 HB THR A 62 4.006 8.440 -2.642 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.190 10.621 -2.658 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.252 10.205 -3.850 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.372 8.644 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.272 9.903 -5.304 1.00 0.00 H new ATOM 984 N LEU A 63 2.089 6.601 -2.354 1.00 0.00 N ATOM 985 CA LEU A 63 1.092 5.964 -1.439 1.00 0.00 C ATOM 986 C LEU A 63 1.477 6.251 0.019 1.00 0.00 C ATOM 987 O LEU A 63 2.641 6.267 0.366 1.00 0.00 O ATOM 988 CB LEU A 63 1.114 4.448 -1.705 1.00 0.00 C ATOM 989 CG LEU A 63 -0.238 3.806 -1.364 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.342 4.308 -2.323 1.00 0.00 C ATOM 991 CD2 LEU A 63 -0.090 2.283 -1.486 1.00 0.00 C ATOM 0 H LEU A 63 3.062 6.485 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 63 0.093 6.363 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.354 4.263 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.901 3.983 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.528 4.080 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.291 3.840 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.435 5.390 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.079 4.048 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.040 1.805 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.200 2.026 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.675 1.935 -0.792 1.00 0.00 H new ATOM 1003 N LYS A 64 0.505 6.481 0.872 1.00 0.00 N ATOM 1004 CA LYS A 64 0.798 6.772 2.313 1.00 0.00 C ATOM 1005 C LYS A 64 0.314 5.611 3.185 1.00 0.00 C ATOM 1006 O LYS A 64 -0.825 5.196 3.101 1.00 0.00 O ATOM 1007 CB LYS A 64 0.060 8.048 2.719 1.00 0.00 C ATOM 1008 CG LYS A 64 0.557 8.518 4.088 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.422 9.545 4.656 1.00 0.00 C ATOM 1010 CE LYS A 64 0.105 10.073 5.991 1.00 0.00 C ATOM 1011 NZ LYS A 64 -0.085 9.036 7.045 1.00 0.00 N ATOM 0 H LYS A 64 -0.486 6.479 0.629 1.00 0.00 H new ATOM 0 HA LYS A 64 1.872 6.900 2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.224 8.827 1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.014 7.863 2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.646 7.669 4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.550 8.958 3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.550 10.368 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.402 9.089 4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.161 10.327 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.421 10.987 6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.146 9.440 7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.074 8.716 7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.541 8.228 6.854 1.00 0.00 H new ATOM 1025 N ILE A 65 1.167 5.086 4.029 1.00 0.00 N ATOM 1026 CA ILE A 65 0.747 3.954 4.912 1.00 0.00 C ATOM 1027 C ILE A 65 0.233 4.505 6.240 1.00 0.00 C ATOM 1028 O ILE A 65 0.744 5.477 6.761 1.00 0.00 O ATOM 1029 CB ILE A 65 1.938 3.029 5.187 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.125 3.847 5.713 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.344 2.315 3.901 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.270 2.904 6.105 1.00 0.00 C ATOM 0 H ILE A 65 2.133 5.391 4.145 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.041 3.392 4.411 1.00 0.00 H new ATOM 0 HB ILE A 65 1.648 2.292 5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.463 4.547 4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.817 4.439 6.575 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.191 1.659 4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.506 1.724 3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.626 3.052 3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.111 3.488 6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.929 2.221 6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.585 2.331 5.233 1.00 0.00 H new ATOM 1044 N ARG A 66 -0.768 3.878 6.801 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.320 4.338 8.112 1.00 0.00 C ATOM 1046 C ARG A 66 -0.841 3.374 9.199 1.00 0.00 C ATOM 1047 O ARG A 66 -0.725 3.732 10.354 1.00 0.00 O ATOM 1048 CB ARG A 66 -2.852 4.333 8.050 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.439 4.843 9.374 1.00 0.00 C ATOM 1050 CD ARG A 66 -3.029 6.305 9.614 1.00 0.00 C ATOM 1051 NE ARG A 66 -4.056 6.972 10.464 1.00 0.00 N ATOM 1052 CZ ARG A 66 -5.232 7.248 9.970 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -5.509 6.941 8.733 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -6.130 7.832 10.715 1.00 0.00 N ATOM 0 H ARG A 66 -1.231 3.060 6.404 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.980 5.349 8.334 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.192 4.962 7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.212 3.324 7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.526 4.762 9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.089 4.221 10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.055 6.346 10.101 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.932 6.828 8.663 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.840 7.213 11.431 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.806 6.485 8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.428 7.157 8.348 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.912 8.072 11.682 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.050 8.048 10.330 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.555 2.152 8.829 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.077 1.157 9.831 1.00 0.00 C ATOM 1070 C ASN A 67 0.317 -0.144 9.121 1.00 0.00 C ATOM 1071 O ASN A 67 -0.529 -0.913 8.702 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.195 0.864 10.838 1.00 0.00 C ATOM 1073 CG ASN A 67 -0.750 -0.252 11.785 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.063 -1.406 11.572 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -0.030 0.047 12.833 1.00 0.00 N ATOM 0 H ASN A 67 -0.633 1.801 7.874 1.00 0.00 H new ATOM 0 HA ASN A 67 0.789 1.563 10.353 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.433 1.764 11.406 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.104 0.569 10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.270 -0.689 13.473 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.233 1.016 13.012 1.00 0.00 H new ATOM 1082 N ALA A 68 1.595 -0.398 8.985 1.00 0.00 N ATOM 1083 CA ALA A 68 2.045 -1.654 8.310 1.00 0.00 C ATOM 1084 C ALA A 68 2.077 -2.798 9.326 1.00 0.00 C ATOM 1085 O ALA A 68 2.206 -2.583 10.515 1.00 0.00 O ATOM 1086 CB ALA A 68 3.447 -1.459 7.731 1.00 0.00 C ATOM 0 H ALA A 68 2.346 0.210 9.312 1.00 0.00 H new ATOM 0 HA ALA A 68 1.350 -1.894 7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.769 -2.378 7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.431 -0.646 7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.142 -1.214 8.534 1.00 0.00 H new ATOM 1092 N THR A 69 1.964 -4.016 8.863 1.00 0.00 N ATOM 1093 CA THR A 69 1.991 -5.186 9.794 1.00 0.00 C ATOM 1094 C THR A 69 2.674 -6.366 9.100 1.00 0.00 C ATOM 1095 O THR A 69 2.545 -6.555 7.907 1.00 0.00 O ATOM 1096 CB THR A 69 0.558 -5.575 10.169 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.070 -4.483 10.827 1.00 0.00 O ATOM 1098 CG2 THR A 69 0.585 -6.789 11.099 1.00 0.00 C ATOM 0 H THR A 69 1.854 -4.252 7.877 1.00 0.00 H new ATOM 0 HA THR A 69 2.542 -4.922 10.697 1.00 0.00 H new ATOM 0 HB THR A 69 -0.000 -5.825 9.267 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.483 -4.796 11.659 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.435 -7.066 11.366 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.067 -7.625 10.592 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.142 -6.543 12.003 1.00 0.00 H new ATOM 1106 N HIS A 70 3.403 -7.157 9.836 1.00 0.00 N ATOM 1107 CA HIS A 70 4.098 -8.322 9.217 1.00 0.00 C ATOM 1108 C HIS A 70 3.080 -9.417 8.892 1.00 0.00 C ATOM 1109 O HIS A 70 3.211 -10.546 9.321 1.00 0.00 O ATOM 1110 CB HIS A 70 5.140 -8.871 10.194 1.00 0.00 C ATOM 1111 CG HIS A 70 6.016 -7.748 10.676 1.00 0.00 C ATOM 1112 ND1 HIS A 70 5.508 -6.660 11.373 1.00 0.00 N ATOM 1113 CD2 HIS A 70 7.368 -7.528 10.572 1.00 0.00 C ATOM 1114 CE1 HIS A 70 6.540 -5.843 11.659 1.00 0.00 C ATOM 1115 NE2 HIS A 70 7.692 -6.328 11.193 1.00 0.00 N ATOM 0 H HIS A 70 3.548 -7.048 10.840 1.00 0.00 H new ATOM 0 HA HIS A 70 4.590 -8.002 8.298 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.645 -9.349 11.039 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.745 -9.635 9.706 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.071 -8.186 10.083 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.446 -4.912 12.198 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.617 -5.906 11.275 1.00 0.00 H new ATOM 1124 N TYR A 71 2.065 -9.095 8.135 1.00 0.00 N ATOM 1125 CA TYR A 71 1.046 -10.123 7.783 1.00 0.00 C ATOM 1126 C TYR A 71 0.575 -10.823 9.060 1.00 0.00 C ATOM 1127 O TYR A 71 0.701 -12.023 9.206 1.00 0.00 O ATOM 1128 CB TYR A 71 1.663 -11.146 6.825 1.00 0.00 C ATOM 1129 CG TYR A 71 0.657 -12.232 6.514 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.427 -11.958 5.671 1.00 0.00 C ATOM 1131 CD2 TYR A 71 0.808 -13.511 7.065 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.359 -12.962 5.379 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -0.125 -14.515 6.774 1.00 0.00 C ATOM 1134 CZ TYR A 71 -1.208 -14.239 5.931 1.00 0.00 C ATOM 1135 OH TYR A 71 -2.127 -15.228 5.645 1.00 0.00 O ATOM 0 H TYR A 71 1.899 -8.167 7.747 1.00 0.00 H new ATOM 0 HA TYR A 71 0.194 -9.647 7.297 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.975 -10.653 5.904 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.556 -11.583 7.271 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.544 -10.972 5.246 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.644 -13.723 7.715 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.194 -12.751 4.728 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.009 -15.501 7.200 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.000 -14.980 6.015 1.00 0.00 H new ATOM 1145 N SER A 72 0.035 -10.081 9.987 1.00 0.00 N ATOM 1146 CA SER A 72 -0.444 -10.702 11.255 1.00 0.00 C ATOM 1147 C SER A 72 -1.823 -11.321 11.028 1.00 0.00 C ATOM 1148 O SER A 72 -2.443 -11.121 10.003 1.00 0.00 O ATOM 1149 CB SER A 72 -0.539 -9.630 12.342 1.00 0.00 C ATOM 1150 OG SER A 72 -0.745 -10.256 13.601 1.00 0.00 O ATOM 0 H SER A 72 -0.096 -9.071 9.922 1.00 0.00 H new ATOM 0 HA SER A 72 0.255 -11.477 11.569 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.374 -9.035 12.364 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.359 -8.946 12.124 1.00 0.00 H new ATOM 0 HG SER A 72 -0.805 -9.572 14.300 1.00 0.00 H new ATOM 1156 N SER A 73 -2.308 -12.075 11.976 1.00 0.00 N ATOM 1157 CA SER A 73 -3.646 -12.707 11.811 1.00 0.00 C ATOM 1158 C SER A 73 -4.737 -11.659 12.043 1.00 0.00 C ATOM 1159 O SER A 73 -5.835 -11.771 11.537 1.00 0.00 O ATOM 1160 CB SER A 73 -3.803 -13.838 12.829 1.00 0.00 C ATOM 1161 OG SER A 73 -3.809 -13.292 14.141 1.00 0.00 O ATOM 0 H SER A 73 -1.836 -12.280 12.856 1.00 0.00 H new ATOM 0 HA SER A 73 -3.736 -13.109 10.802 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.729 -14.382 12.645 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.987 -14.553 12.724 1.00 0.00 H new ATOM 0 HG SER A 73 -3.911 -14.014 14.795 1.00 0.00 H new ATOM 1167 N GLU A 74 -4.445 -10.642 12.806 1.00 0.00 N ATOM 1168 CA GLU A 74 -5.468 -9.591 13.071 1.00 0.00 C ATOM 1169 C GLU A 74 -5.723 -8.784 11.794 1.00 0.00 C ATOM 1170 O GLU A 74 -6.847 -8.454 11.473 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.964 -8.656 14.171 1.00 0.00 C ATOM 1172 CG GLU A 74 -6.065 -7.660 14.542 1.00 0.00 C ATOM 1173 CD GLU A 74 -5.566 -6.737 15.655 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -4.590 -6.041 15.428 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -6.168 -6.742 16.716 1.00 0.00 O ATOM 0 H GLU A 74 -3.543 -10.493 13.257 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.397 -10.064 13.390 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.672 -9.234 15.048 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.077 -8.122 13.831 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.348 -7.073 13.668 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.957 -8.194 14.870 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.690 -8.460 11.066 1.00 0.00 N ATOM 1183 CA ARG A 75 -4.876 -7.670 9.815 1.00 0.00 C ATOM 1184 C ARG A 75 -5.314 -8.595 8.678 1.00 0.00 C ATOM 1185 O ARG A 75 -5.943 -8.172 7.729 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.555 -6.993 9.440 1.00 0.00 C ATOM 1187 CG ARG A 75 -2.961 -6.306 10.673 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.974 -5.314 11.257 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.263 -4.338 12.129 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.878 -3.262 12.539 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -5.114 -3.041 12.184 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.256 -2.407 13.303 1.00 0.00 N ATOM 0 H ARG A 75 -3.725 -8.708 11.283 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.643 -6.913 9.978 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.854 -7.731 9.050 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.721 -6.262 8.649 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.695 -7.051 11.423 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.043 -5.785 10.402 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.492 -4.791 10.453 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.732 -5.847 11.831 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.296 -4.510 12.406 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.600 -3.709 11.586 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.594 -2.200 12.505 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.290 -2.579 13.580 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.736 -1.566 13.624 1.00 0.00 H new ATOM 1206 N TRP A 76 -4.982 -9.856 8.761 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.376 -10.805 7.679 1.00 0.00 C ATOM 1208 C TRP A 76 -6.802 -11.305 7.924 1.00 0.00 C ATOM 1209 O TRP A 76 -7.628 -11.309 7.033 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.406 -11.992 7.670 1.00 0.00 C ATOM 1211 CG TRP A 76 -4.873 -13.020 6.688 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -5.274 -14.272 7.008 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -4.994 -12.909 5.240 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -5.633 -14.936 5.849 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -5.479 -14.138 4.733 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -4.733 -11.873 4.325 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -5.696 -14.333 3.368 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -4.952 -12.064 2.951 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -5.432 -13.292 2.474 1.00 0.00 C ATOM 0 H TRP A 76 -4.456 -10.270 9.530 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.338 -10.296 6.716 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.404 -11.653 7.407 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.343 -12.430 8.666 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -5.308 -14.685 8.005 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.970 -15.898 5.822 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.361 -10.924 4.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.065 -15.281 3.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.750 -11.261 2.258 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -5.598 -13.433 1.416 1.00 0.00 H new