USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 617 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 59 SER OG : rot -150:sc= -0.407 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -115:sc= -1.03 (180deg=-4.88!) USER MOD Set 2.1: A 33 GLN : amide:sc= -2.74! C(o=-5.1!,f=-5.4!) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -137:sc= -2.4! (180deg=-3.76!) USER MOD Set 3.1: A 7 ASN : amide:sc= -1.62 K(o=-3.2,f=-12!) USER MOD Set 3.2: A 10 THR OG1 : rot 180:sc= -2.31 USER MOD Set 3.3: A 14 TYR OH : rot 30:sc= 0.76 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.79 USER MOD Single : A 20 SER OG : rot -88:sc= 1.25 USER MOD Single : A 23 MET CE :methyl 166:sc= -0.011 (180deg=-0.224) USER MOD Single : A 26 THR OG1 : rot 153:sc= -1.36! USER MOD Single : A 36 CYS SG : rot -15:sc= -3.51! USER MOD Single : A 41 THR OG1 : rot 74:sc= 1.29 USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= 1.12 (180deg=1.1) USER MOD Single : A 43 HIS : no HD1:sc= -9.87! C(o=-9.9!,f=-16!) USER MOD Single : A 46 TYR OH : rot -30:sc= -2.77! USER MOD Single : A 47 TYR OH : rot -130:sc= -0.23 USER MOD Single : A 48 ASN : amide:sc= -1.54! C(o=-1.5!,f=-7.8!) USER MOD Single : A 49 MET CE :methyl 173:sc= 0 (180deg=-0.0222) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00423 USER MOD Single : A 55 ASN : amide:sc= 1.2 K(o=1.2,f=-0.036) USER MOD Single : A 57 THR OG1 : rot -121:sc= -3.66! USER MOD Single : A 58 GLN : amide:sc= 0.221 K(o=0.22,f=-4.8!) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0.219 (180deg=0.212) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -117:sc= -1.88 (180deg=-4.69!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -2.05! C(o=-2!,f=-6.3!) USER MOD Single : A 80 SER OG : rot 148:sc= -0.0621 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 -11.108 2.887 -5.914 1.00 0.00 N ATOM 2 CA ASP A 2 -10.771 1.496 -6.129 1.00 0.00 C ATOM 3 C ASP A 2 -9.255 1.365 -6.204 1.00 0.00 C ATOM 4 O ASP A 2 -8.648 1.571 -7.253 1.00 0.00 O ATOM 5 CB ASP A 2 -11.413 0.968 -7.417 1.00 0.00 C ATOM 6 CG ASP A 2 -12.928 0.925 -7.356 1.00 0.00 C ATOM 7 OD1 ASP A 2 -13.573 1.925 -7.727 1.00 0.00 O ATOM 8 OD2 ASP A 2 -13.486 -0.118 -6.954 1.00 0.00 O ATOM 0 HA ASP A 2 -11.155 0.902 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.107 1.598 -8.252 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.035 -0.034 -7.619 1.00 0.00 H new ATOM 13 N LEU A 3 -8.650 1.026 -5.083 1.00 0.00 N ATOM 14 CA LEU A 3 -7.221 0.997 -4.946 1.00 0.00 C ATOM 15 C LEU A 3 -6.733 -0.440 -5.102 1.00 0.00 C ATOM 16 O LEU A 3 -7.377 -1.362 -4.609 1.00 0.00 O ATOM 17 CB LEU A 3 -6.910 1.563 -3.561 1.00 0.00 C ATOM 18 CG LEU A 3 -5.832 0.842 -2.776 1.00 0.00 C ATOM 19 CD1 LEU A 3 -4.464 1.345 -3.176 1.00 0.00 C ATOM 20 CD2 LEU A 3 -6.052 1.026 -1.286 1.00 0.00 C ATOM 0 H LEU A 3 -9.150 0.761 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.714 1.590 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.613 2.606 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.827 1.555 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.888 -0.222 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.701 0.818 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.308 1.167 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.396 2.414 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.270 0.503 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.019 2.088 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.025 0.620 -1.009 1.00 0.00 H new ATOM 32 N THR A 4 -5.614 -0.639 -5.792 1.00 0.00 N ATOM 33 CA THR A 4 -5.175 -1.961 -6.125 1.00 0.00 C ATOM 34 C THR A 4 -4.034 -2.335 -5.231 1.00 0.00 C ATOM 35 O THR A 4 -3.063 -1.621 -5.135 1.00 0.00 O ATOM 36 CB THR A 4 -4.685 -2.013 -7.576 1.00 0.00 C ATOM 37 OG1 THR A 4 -5.629 -1.353 -8.430 1.00 0.00 O ATOM 38 CG2 THR A 4 -4.494 -3.449 -8.040 1.00 0.00 C ATOM 0 H THR A 4 -5.005 0.108 -6.125 1.00 0.00 H new ATOM 0 HA THR A 4 -6.010 -2.650 -5.999 1.00 0.00 H new ATOM 0 HB THR A 4 -3.722 -1.505 -7.628 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.311 -1.387 -9.356 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.146 -3.454 -9.073 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.756 -3.941 -7.406 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.443 -3.982 -7.974 1.00 0.00 H new ATOM 46 N ILE A 5 -4.125 -3.420 -4.553 1.00 0.00 N ATOM 47 CA ILE A 5 -2.976 -3.864 -3.814 1.00 0.00 C ATOM 48 C ILE A 5 -2.382 -5.060 -4.495 1.00 0.00 C ATOM 49 O ILE A 5 -3.080 -5.941 -4.994 1.00 0.00 O ATOM 50 CB ILE A 5 -3.293 -4.223 -2.369 1.00 0.00 C ATOM 51 CG1 ILE A 5 -4.277 -3.211 -1.822 1.00 0.00 C ATOM 52 CG2 ILE A 5 -2.016 -4.318 -1.551 1.00 0.00 C ATOM 53 CD1 ILE A 5 -3.761 -1.803 -1.651 1.00 0.00 C ATOM 0 H ILE A 5 -4.954 -4.011 -4.487 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.273 -3.031 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.759 -5.207 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.141 -3.181 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.631 -3.566 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.262 -4.575 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.370 -5.088 -1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.499 -3.359 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.555 -1.170 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.918 -1.806 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.437 -1.414 -2.616 1.00 0.00 H new ATOM 65 N SER A 6 -1.096 -5.070 -4.502 1.00 0.00 N ATOM 66 CA SER A 6 -0.348 -6.114 -5.119 1.00 0.00 C ATOM 67 C SER A 6 0.725 -6.495 -4.200 1.00 0.00 C ATOM 68 O SER A 6 1.575 -5.704 -3.836 1.00 0.00 O ATOM 69 CB SER A 6 0.256 -5.674 -6.432 1.00 0.00 C ATOM 70 OG SER A 6 0.073 -4.280 -6.644 1.00 0.00 O ATOM 0 H SER A 6 -0.523 -4.343 -4.073 1.00 0.00 H new ATOM 0 HA SER A 6 -1.014 -6.951 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.320 -5.909 -6.442 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.201 -6.231 -7.250 1.00 0.00 H new ATOM 0 HG SER A 6 0.475 -4.024 -7.500 1.00 0.00 H new ATOM 76 N ASN A 7 0.651 -7.702 -3.825 1.00 0.00 N ATOM 77 CA ASN A 7 1.604 -8.255 -2.927 1.00 0.00 C ATOM 78 C ASN A 7 2.811 -8.652 -3.729 1.00 0.00 C ATOM 79 O ASN A 7 2.764 -9.614 -4.472 1.00 0.00 O ATOM 80 CB ASN A 7 1.009 -9.452 -2.230 1.00 0.00 C ATOM 81 CG ASN A 7 1.851 -9.934 -1.085 1.00 0.00 C ATOM 82 OD1 ASN A 7 3.066 -9.756 -1.050 1.00 0.00 O ATOM 83 ND2 ASN A 7 1.207 -10.563 -0.142 1.00 0.00 N ATOM 0 H ASN A 7 -0.074 -8.352 -4.127 1.00 0.00 H new ATOM 0 HA ASN A 7 1.888 -7.530 -2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.015 -9.196 -1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.884 -10.261 -2.950 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.713 -10.929 0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.197 -10.689 -0.211 1.00 0.00 H new ATOM 90 N GLU A 8 3.877 -7.907 -3.588 1.00 0.00 N ATOM 91 CA GLU A 8 5.083 -8.159 -4.423 1.00 0.00 C ATOM 92 C GLU A 8 5.701 -9.519 -4.111 1.00 0.00 C ATOM 93 O GLU A 8 6.429 -10.084 -4.924 1.00 0.00 O ATOM 94 CB GLU A 8 6.160 -7.088 -4.230 1.00 0.00 C ATOM 95 CG GLU A 8 5.899 -5.779 -4.947 1.00 0.00 C ATOM 96 CD GLU A 8 6.381 -5.784 -6.384 1.00 0.00 C ATOM 97 OE1 GLU A 8 5.779 -6.490 -7.218 1.00 0.00 O ATOM 98 OE2 GLU A 8 7.360 -5.067 -6.689 1.00 0.00 O ATOM 0 H GLU A 8 3.962 -7.134 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 8 4.737 -8.133 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.263 -6.886 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.114 -7.488 -4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.830 -5.568 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.392 -4.971 -4.407 1.00 0.00 H new ATOM 105 N LEU A 9 5.389 -10.039 -2.936 1.00 0.00 N ATOM 106 CA LEU A 9 5.978 -11.273 -2.443 1.00 0.00 C ATOM 107 C LEU A 9 5.309 -12.483 -3.064 1.00 0.00 C ATOM 108 O LEU A 9 5.962 -13.433 -3.495 1.00 0.00 O ATOM 109 CB LEU A 9 5.807 -11.341 -0.935 1.00 0.00 C ATOM 110 CG LEU A 9 6.750 -10.469 -0.126 1.00 0.00 C ATOM 111 CD1 LEU A 9 6.540 -10.734 1.350 1.00 0.00 C ATOM 112 CD2 LEU A 9 8.192 -10.732 -0.528 1.00 0.00 C ATOM 0 H LEU A 9 4.718 -9.616 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 9 7.034 -11.279 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.782 -11.060 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.938 -12.376 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 9 6.535 -9.420 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.217 -10.108 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.510 -10.501 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.742 -11.784 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.855 -10.099 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.435 -11.779 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.321 -10.507 -1.587 1.00 0.00 H new ATOM 124 N THR A 10 3.997 -12.439 -3.091 1.00 0.00 N ATOM 125 CA THR A 10 3.200 -13.532 -3.592 1.00 0.00 C ATOM 126 C THR A 10 2.838 -13.289 -5.025 1.00 0.00 C ATOM 127 O THR A 10 2.596 -14.205 -5.812 1.00 0.00 O ATOM 128 CB THR A 10 1.919 -13.639 -2.775 1.00 0.00 C ATOM 129 OG1 THR A 10 1.514 -12.339 -2.377 1.00 0.00 O ATOM 130 CG2 THR A 10 2.109 -14.510 -1.556 1.00 0.00 C ATOM 0 H THR A 10 3.452 -11.641 -2.765 1.00 0.00 H new ATOM 0 HA THR A 10 3.776 -14.454 -3.513 1.00 0.00 H new ATOM 0 HB THR A 10 1.151 -14.101 -3.396 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.689 -12.400 -1.852 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.174 -14.563 -0.998 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.403 -15.512 -1.867 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.887 -14.084 -0.922 1.00 0.00 H new ATOM 138 N GLY A 11 2.820 -12.023 -5.336 1.00 0.00 N ATOM 139 CA GLY A 11 2.386 -11.573 -6.637 1.00 0.00 C ATOM 140 C GLY A 11 0.883 -11.460 -6.690 1.00 0.00 C ATOM 141 O GLY A 11 0.301 -11.259 -7.757 1.00 0.00 O ATOM 0 H GLY A 11 3.103 -11.275 -4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.836 -10.606 -6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.730 -12.270 -7.401 1.00 0.00 H new ATOM 145 N GLU A 12 0.253 -11.593 -5.523 1.00 0.00 N ATOM 146 CA GLU A 12 -1.164 -11.556 -5.422 1.00 0.00 C ATOM 147 C GLU A 12 -1.677 -10.213 -5.689 1.00 0.00 C ATOM 148 O GLU A 12 -0.992 -9.198 -5.552 1.00 0.00 O ATOM 149 CB GLU A 12 -1.638 -11.924 -4.044 1.00 0.00 C ATOM 150 CG GLU A 12 -1.179 -13.281 -3.622 1.00 0.00 C ATOM 151 CD GLU A 12 -1.933 -14.396 -4.315 1.00 0.00 C ATOM 152 OE1 GLU A 12 -1.778 -14.553 -5.543 1.00 0.00 O ATOM 153 OE2 GLU A 12 -2.694 -15.109 -3.632 1.00 0.00 O ATOM 0 H GLU A 12 0.732 -11.729 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.530 -12.273 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.277 -11.184 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.727 -11.888 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.115 -13.382 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.300 -13.382 -2.543 1.00 0.00 H new ATOM 160 N ILE A 13 -2.927 -10.236 -5.936 1.00 0.00 N ATOM 161 CA ILE A 13 -3.649 -9.059 -6.312 1.00 0.00 C ATOM 162 C ILE A 13 -4.912 -8.984 -5.509 1.00 0.00 C ATOM 163 O ILE A 13 -5.780 -9.854 -5.573 1.00 0.00 O ATOM 164 CB ILE A 13 -3.980 -8.977 -7.814 1.00 0.00 C ATOM 165 CG1 ILE A 13 -2.721 -9.156 -8.661 1.00 0.00 C ATOM 166 CG2 ILE A 13 -4.599 -7.623 -8.109 1.00 0.00 C ATOM 167 CD1 ILE A 13 -1.585 -8.258 -8.226 1.00 0.00 C ATOM 0 H ILE A 13 -3.499 -11.079 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.997 -8.211 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.678 -9.776 -8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.397 -10.195 -8.606 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.960 -8.951 -9.705 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.837 -7.555 -9.171 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.511 -7.505 -7.524 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.894 -6.835 -7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.719 -8.431 -8.865 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.893 -7.216 -8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.322 -8.479 -7.191 1.00 0.00 H new ATOM 179 N TYR A 14 -4.970 -7.956 -4.723 1.00 0.00 N ATOM 180 CA TYR A 14 -6.086 -7.717 -3.847 1.00 0.00 C ATOM 181 C TYR A 14 -6.929 -6.634 -4.459 1.00 0.00 C ATOM 182 O TYR A 14 -6.427 -5.819 -5.250 1.00 0.00 O ATOM 183 CB TYR A 14 -5.530 -7.319 -2.508 1.00 0.00 C ATOM 184 CG TYR A 14 -4.544 -8.264 -2.039 1.00 0.00 C ATOM 185 CD1 TYR A 14 -4.778 -9.625 -1.898 1.00 0.00 C ATOM 186 CD2 TYR A 14 -3.369 -7.768 -1.753 1.00 0.00 C ATOM 187 CE1 TYR A 14 -3.771 -10.447 -1.453 1.00 0.00 C ATOM 188 CE2 TYR A 14 -2.392 -8.521 -1.333 1.00 0.00 C ATOM 189 CZ TYR A 14 -2.554 -9.882 -1.167 1.00 0.00 C ATOM 190 OH TYR A 14 -1.513 -10.660 -0.714 1.00 0.00 O ATOM 0 H TYR A 14 -4.238 -7.248 -4.667 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.714 -8.598 -3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.080 -6.329 -2.580 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.341 -7.249 -1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.748 -10.036 -2.137 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.204 -6.707 -1.868 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.933 -11.508 -1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.436 -8.071 -1.110 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.598 -11.565 -1.080 1.00 0.00 H new ATOM 200 N GLY A 15 -8.160 -6.546 -4.024 1.00 0.00 N ATOM 201 CA GLY A 15 -9.159 -5.967 -4.866 1.00 0.00 C ATOM 202 C GLY A 15 -9.350 -4.511 -4.623 1.00 0.00 C ATOM 203 O GLY A 15 -8.761 -3.944 -3.707 1.00 0.00 O ATOM 0 H GLY A 15 -8.484 -6.862 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.883 -6.123 -5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.105 -6.484 -4.706 1.00 0.00 H new ATOM 207 N PRO A 16 -10.182 -3.889 -5.451 1.00 0.00 N ATOM 208 CA PRO A 16 -10.367 -2.447 -5.460 1.00 0.00 C ATOM 209 C PRO A 16 -10.875 -1.957 -4.123 1.00 0.00 C ATOM 210 O PRO A 16 -12.039 -2.137 -3.757 1.00 0.00 O ATOM 211 CB PRO A 16 -11.406 -2.243 -6.555 1.00 0.00 C ATOM 212 CG PRO A 16 -12.149 -3.512 -6.519 1.00 0.00 C ATOM 213 CD PRO A 16 -11.080 -4.542 -6.409 1.00 0.00 C ATOM 0 HA PRO A 16 -9.445 -1.894 -5.638 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.050 -1.388 -6.351 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.944 -2.069 -7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.833 -3.552 -5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.748 -3.651 -7.419 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.458 -5.495 -6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.594 -4.740 -7.365 1.00 0.00 H new ATOM 221 N ILE A 17 -9.984 -1.349 -3.402 1.00 0.00 N ATOM 222 CA ILE A 17 -10.295 -0.839 -2.106 1.00 0.00 C ATOM 223 C ILE A 17 -10.815 0.566 -2.207 1.00 0.00 C ATOM 224 O ILE A 17 -10.218 1.430 -2.849 1.00 0.00 O ATOM 225 CB ILE A 17 -9.088 -0.899 -1.180 1.00 0.00 C ATOM 226 CG1 ILE A 17 -8.939 -2.336 -0.702 1.00 0.00 C ATOM 227 CG2 ILE A 17 -9.241 0.081 -0.022 1.00 0.00 C ATOM 228 CD1 ILE A 17 -7.873 -2.520 0.347 1.00 0.00 C ATOM 0 H ILE A 17 -9.020 -1.193 -3.697 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.073 -1.470 -1.676 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.183 -0.601 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.893 -2.676 -0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.708 -2.971 -1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.366 0.019 0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.332 1.094 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -10.134 -0.169 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.826 -3.569 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.908 -2.212 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.112 -1.912 1.220 1.00 0.00 H new ATOM 240 N GLU A 18 -11.939 0.782 -1.583 1.00 0.00 N ATOM 241 CA GLU A 18 -12.566 2.078 -1.626 1.00 0.00 C ATOM 242 C GLU A 18 -11.836 3.014 -0.692 1.00 0.00 C ATOM 243 O GLU A 18 -11.923 2.884 0.530 1.00 0.00 O ATOM 244 CB GLU A 18 -14.044 1.985 -1.249 1.00 0.00 C ATOM 245 CG GLU A 18 -14.777 3.310 -1.350 1.00 0.00 C ATOM 246 CD GLU A 18 -16.281 3.143 -1.285 1.00 0.00 C ATOM 247 OE1 GLU A 18 -16.904 2.940 -2.353 1.00 0.00 O ATOM 248 OE2 GLU A 18 -16.847 3.198 -0.175 1.00 0.00 O ATOM 0 H GLU A 18 -12.441 0.080 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.511 2.466 -2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.532 1.258 -1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.128 1.609 -0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.451 3.965 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.509 3.801 -2.286 1.00 0.00 H new ATOM 255 N VAL A 19 -11.099 3.953 -1.261 1.00 0.00 N ATOM 256 CA VAL A 19 -10.422 4.916 -0.445 1.00 0.00 C ATOM 257 C VAL A 19 -11.119 6.249 -0.493 1.00 0.00 C ATOM 258 O VAL A 19 -11.509 6.757 -1.541 1.00 0.00 O ATOM 259 CB VAL A 19 -8.933 5.105 -0.815 1.00 0.00 C ATOM 260 CG1 VAL A 19 -8.282 3.771 -1.056 1.00 0.00 C ATOM 261 CG2 VAL A 19 -8.730 6.015 -2.011 1.00 0.00 C ATOM 0 H VAL A 19 -10.962 4.060 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.455 4.512 0.567 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.458 5.595 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.234 3.919 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.350 3.165 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.790 3.261 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.664 6.108 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.235 5.593 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.144 7.000 -1.794 1.00 0.00 H new ATOM 271 N SER A 20 -11.328 6.752 0.683 1.00 0.00 N ATOM 272 CA SER A 20 -11.803 8.093 0.879 1.00 0.00 C ATOM 273 C SER A 20 -10.687 8.864 1.540 1.00 0.00 C ATOM 274 O SER A 20 -9.907 8.299 2.298 1.00 0.00 O ATOM 275 CB SER A 20 -13.051 8.098 1.754 1.00 0.00 C ATOM 276 OG SER A 20 -13.645 9.387 1.809 1.00 0.00 O ATOM 0 H SER A 20 -11.172 6.238 1.550 1.00 0.00 H new ATOM 0 HA SER A 20 -12.076 8.549 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.773 7.380 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.791 7.773 2.761 1.00 0.00 H new ATOM 0 HG SER A 20 -13.248 9.899 2.544 1.00 0.00 H new ATOM 282 N GLU A 21 -10.631 10.145 1.260 1.00 0.00 N ATOM 283 CA GLU A 21 -9.496 10.971 1.633 1.00 0.00 C ATOM 284 C GLU A 21 -9.380 11.103 3.141 1.00 0.00 C ATOM 285 O GLU A 21 -8.303 11.377 3.674 1.00 0.00 O ATOM 286 CB GLU A 21 -9.677 12.337 0.999 1.00 0.00 C ATOM 287 CG GLU A 21 -10.871 13.105 1.538 1.00 0.00 C ATOM 288 CD GLU A 21 -11.032 14.459 0.888 1.00 0.00 C ATOM 289 OE1 GLU A 21 -11.472 14.516 -0.280 1.00 0.00 O ATOM 290 OE2 GLU A 21 -10.719 15.476 1.539 1.00 0.00 O ATOM 0 H GLU A 21 -11.369 10.648 0.767 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.577 10.504 1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.774 12.926 1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.790 12.216 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.777 12.520 1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.760 13.234 2.615 1.00 0.00 H new ATOM 297 N ASP A 22 -10.502 10.904 3.804 1.00 0.00 N ATOM 298 CA ASP A 22 -10.604 11.126 5.238 1.00 0.00 C ATOM 299 C ASP A 22 -10.375 9.866 6.084 1.00 0.00 C ATOM 300 O ASP A 22 -10.534 9.928 7.306 1.00 0.00 O ATOM 301 CB ASP A 22 -11.976 11.709 5.569 1.00 0.00 C ATOM 302 CG ASP A 22 -13.092 10.703 5.381 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.427 10.392 4.218 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.642 10.225 6.397 1.00 0.00 O ATOM 0 H ASP A 22 -11.367 10.585 3.368 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.805 11.822 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.979 12.062 6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.162 12.576 4.935 1.00 0.00 H new ATOM 309 N MET A 23 -10.012 8.724 5.491 1.00 0.00 N ATOM 310 CA MET A 23 -9.653 7.593 6.260 1.00 0.00 C ATOM 311 C MET A 23 -8.238 7.801 6.745 1.00 0.00 C ATOM 312 O MET A 23 -7.569 8.764 6.362 1.00 0.00 O ATOM 313 CB MET A 23 -9.730 6.407 5.336 1.00 0.00 C ATOM 314 CG MET A 23 -9.787 5.075 5.991 1.00 0.00 C ATOM 315 SD MET A 23 -11.293 4.788 6.938 1.00 0.00 S ATOM 316 CE MET A 23 -12.489 4.601 5.619 1.00 0.00 C ATOM 0 H MET A 23 -9.968 8.587 4.481 1.00 0.00 H new ATOM 0 HA MET A 23 -10.303 7.439 7.121 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.613 6.519 4.706 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.863 6.429 4.676 1.00 0.00 H new ATOM 0 HG2 MET A 23 -9.697 4.302 5.228 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.928 4.970 6.654 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.409 4.177 6.020 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.700 5.575 5.179 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.086 3.937 4.854 1.00 0.00 H new ATOM 326 N ALA A 24 -7.786 6.923 7.574 1.00 0.00 N ATOM 327 CA ALA A 24 -6.412 6.942 7.988 1.00 0.00 C ATOM 328 C ALA A 24 -5.610 6.028 7.085 1.00 0.00 C ATOM 329 O ALA A 24 -5.969 4.871 6.882 1.00 0.00 O ATOM 330 CB ALA A 24 -6.288 6.516 9.442 1.00 0.00 C ATOM 0 H ALA A 24 -8.346 6.176 7.984 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.020 7.956 7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.239 6.536 9.739 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.857 7.201 10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.679 5.505 9.560 1.00 0.00 H new ATOM 336 N LEU A 25 -4.535 6.569 6.521 1.00 0.00 N ATOM 337 CA LEU A 25 -3.604 5.802 5.727 1.00 0.00 C ATOM 338 C LEU A 25 -3.110 4.630 6.547 1.00 0.00 C ATOM 339 O LEU A 25 -2.790 3.575 6.023 1.00 0.00 O ATOM 340 CB LEU A 25 -2.431 6.691 5.337 1.00 0.00 C ATOM 341 CG LEU A 25 -1.632 7.227 6.525 1.00 0.00 C ATOM 342 CD1 LEU A 25 -0.246 7.632 6.110 1.00 0.00 C ATOM 343 CD2 LEU A 25 -2.334 8.392 7.202 1.00 0.00 C ATOM 0 H LEU A 25 -4.291 7.556 6.607 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.092 5.434 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.762 6.127 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.805 7.533 4.755 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.558 6.413 7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.298 8.009 6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.278 6.769 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.307 8.413 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.732 8.742 8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.465 9.203 6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.309 8.068 7.566 1.00 0.00 H new ATOM 355 N THR A 26 -3.062 4.857 7.846 1.00 0.00 N ATOM 356 CA THR A 26 -2.705 3.861 8.813 1.00 0.00 C ATOM 357 C THR A 26 -3.696 2.702 8.850 1.00 0.00 C ATOM 358 O THR A 26 -3.302 1.549 8.895 1.00 0.00 O ATOM 359 CB THR A 26 -2.677 4.514 10.180 1.00 0.00 C ATOM 360 OG1 THR A 26 -3.248 5.829 10.073 1.00 0.00 O ATOM 361 CG2 THR A 26 -1.260 4.607 10.704 1.00 0.00 C ATOM 0 H THR A 26 -3.277 5.765 8.258 1.00 0.00 H new ATOM 0 HA THR A 26 -1.732 3.456 8.535 1.00 0.00 H new ATOM 0 HB THR A 26 -3.254 3.909 10.879 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.633 6.090 10.936 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.266 5.079 11.686 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.836 3.606 10.785 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.657 5.203 10.019 1.00 0.00 H new ATOM 369 N ASP A 27 -4.980 3.036 8.854 1.00 0.00 N ATOM 370 CA ASP A 27 -6.048 2.042 8.875 1.00 0.00 C ATOM 371 C ASP A 27 -6.061 1.306 7.546 1.00 0.00 C ATOM 372 O ASP A 27 -6.541 0.183 7.420 1.00 0.00 O ATOM 373 CB ASP A 27 -7.394 2.717 9.137 1.00 0.00 C ATOM 374 CG ASP A 27 -8.483 1.731 9.505 1.00 0.00 C ATOM 375 OD1 ASP A 27 -8.453 1.209 10.642 1.00 0.00 O ATOM 376 OD2 ASP A 27 -9.389 1.497 8.678 1.00 0.00 O ATOM 0 H ASP A 27 -5.311 4.001 8.843 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.872 1.327 9.679 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.281 3.443 9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.697 3.271 8.248 1.00 0.00 H new ATOM 381 N LEU A 28 -5.499 1.972 6.561 1.00 0.00 N ATOM 382 CA LEU A 28 -5.371 1.452 5.235 1.00 0.00 C ATOM 383 C LEU A 28 -4.230 0.416 5.204 1.00 0.00 C ATOM 384 O LEU A 28 -4.426 -0.728 4.795 1.00 0.00 O ATOM 385 CB LEU A 28 -5.147 2.666 4.337 1.00 0.00 C ATOM 386 CG LEU A 28 -5.102 2.404 2.853 1.00 0.00 C ATOM 387 CD1 LEU A 28 -3.738 1.885 2.507 1.00 0.00 C ATOM 388 CD2 LEU A 28 -6.191 1.422 2.454 1.00 0.00 C ATOM 0 H LEU A 28 -5.113 2.910 6.671 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.251 0.915 4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.941 3.387 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.209 3.138 4.629 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.285 3.325 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.684 1.689 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.987 2.627 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.550 0.962 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.144 1.244 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.045 0.481 2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.166 1.836 2.711 1.00 0.00 H new ATOM 400 N ILE A 29 -3.049 0.838 5.662 1.00 0.00 N ATOM 401 CA ILE A 29 -1.950 -0.042 6.010 1.00 0.00 C ATOM 402 C ILE A 29 -2.405 -1.166 6.943 1.00 0.00 C ATOM 403 O ILE A 29 -1.887 -2.267 6.883 1.00 0.00 O ATOM 404 CB ILE A 29 -0.863 0.777 6.745 1.00 0.00 C ATOM 405 CG1 ILE A 29 -0.345 1.945 5.897 1.00 0.00 C ATOM 406 CG2 ILE A 29 0.268 -0.106 7.179 1.00 0.00 C ATOM 407 CD1 ILE A 29 -0.193 1.628 4.432 1.00 0.00 C ATOM 0 H ILE A 29 -2.833 1.825 5.801 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.566 -0.480 5.089 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.331 1.205 7.632 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.027 2.788 6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.620 2.264 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.020 0.492 7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.109 -0.874 7.854 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.716 -0.579 6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.178 2.508 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.513 0.807 4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.160 1.340 4.020 1.00 0.00 H new ATOM 419 N ALA A 30 -3.356 -0.873 7.810 1.00 0.00 N ATOM 420 CA ALA A 30 -3.909 -1.867 8.717 1.00 0.00 C ATOM 421 C ALA A 30 -4.458 -3.064 7.940 1.00 0.00 C ATOM 422 O ALA A 30 -4.077 -4.201 8.191 1.00 0.00 O ATOM 423 CB ALA A 30 -4.986 -1.233 9.590 1.00 0.00 C ATOM 0 H ALA A 30 -3.767 0.056 7.907 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.114 -2.234 9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.395 -1.984 10.266 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.551 -0.420 10.171 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.783 -0.842 8.958 1.00 0.00 H new ATOM 429 N LEU A 31 -5.311 -2.782 6.961 1.00 0.00 N ATOM 430 CA LEU A 31 -5.882 -3.815 6.087 1.00 0.00 C ATOM 431 C LEU A 31 -4.810 -4.393 5.216 1.00 0.00 C ATOM 432 O LEU A 31 -4.853 -5.542 4.817 1.00 0.00 O ATOM 433 CB LEU A 31 -6.957 -3.227 5.198 1.00 0.00 C ATOM 434 CG LEU A 31 -7.828 -2.253 5.929 1.00 0.00 C ATOM 435 CD1 LEU A 31 -8.521 -1.311 4.961 1.00 0.00 C ATOM 436 CD2 LEU A 31 -8.837 -2.981 6.802 1.00 0.00 C ATOM 0 H LEU A 31 -5.629 -1.837 6.747 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.316 -4.591 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.490 -2.728 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.573 -4.031 4.796 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.192 -1.652 6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.147 -0.614 5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.773 -0.755 4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.141 -1.887 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.459 -2.253 7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.467 -3.616 6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.310 -3.597 7.531 1.00 0.00 H new ATOM 448 N LEU A 32 -3.868 -3.555 4.894 1.00 0.00 N ATOM 449 CA LEU A 32 -2.773 -3.917 4.086 1.00 0.00 C ATOM 450 C LEU A 32 -1.915 -4.977 4.790 1.00 0.00 C ATOM 451 O LEU A 32 -1.455 -5.929 4.175 1.00 0.00 O ATOM 452 CB LEU A 32 -2.058 -2.617 3.848 1.00 0.00 C ATOM 453 CG LEU A 32 -0.965 -2.617 2.846 1.00 0.00 C ATOM 454 CD1 LEU A 32 -1.436 -3.036 1.479 1.00 0.00 C ATOM 455 CD2 LEU A 32 -0.369 -1.264 2.820 1.00 0.00 C ATOM 0 H LEU A 32 -3.853 -2.582 5.200 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.051 -4.384 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.797 -1.877 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.644 -2.280 4.799 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.216 -3.354 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.597 -3.019 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.845 -4.045 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.208 -2.348 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.439 -1.237 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.132 -0.536 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.025 -1.021 3.807 1.00 0.00 H new ATOM 467 N GLN A 33 -1.736 -4.835 6.091 1.00 0.00 N ATOM 468 CA GLN A 33 -1.032 -5.797 6.888 1.00 0.00 C ATOM 469 C GLN A 33 -1.905 -7.007 7.124 1.00 0.00 C ATOM 470 O GLN A 33 -1.490 -8.156 6.980 1.00 0.00 O ATOM 471 CB GLN A 33 -0.718 -5.144 8.215 1.00 0.00 C ATOM 472 CG GLN A 33 0.220 -3.970 8.104 1.00 0.00 C ATOM 473 CD GLN A 33 0.664 -3.446 9.446 1.00 0.00 C ATOM 474 OE1 GLN A 33 1.678 -3.882 9.994 1.00 0.00 O ATOM 475 NE2 GLN A 33 -0.081 -2.496 9.978 1.00 0.00 N ATOM 0 H GLN A 33 -2.083 -4.036 6.621 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.121 -6.116 6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.648 -4.812 8.676 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.279 -5.887 8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.096 -4.265 7.526 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.272 -3.169 7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.913 -2.166 9.488 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.175 -2.092 10.879 1.00 0.00 H new ATOM 484 N ALA A 34 -3.119 -6.696 7.499 1.00 0.00 N ATOM 485 CA ALA A 34 -4.133 -7.667 7.846 1.00 0.00 C ATOM 486 C ALA A 34 -4.407 -8.648 6.707 1.00 0.00 C ATOM 487 O ALA A 34 -4.319 -9.865 6.878 1.00 0.00 O ATOM 488 CB ALA A 34 -5.400 -6.913 8.214 1.00 0.00 C ATOM 0 H ALA A 34 -3.442 -5.732 7.575 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.780 -8.262 8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.182 -7.624 8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.200 -6.258 9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.728 -6.315 7.364 1.00 0.00 H new ATOM 494 N ASP A 35 -4.716 -8.102 5.550 1.00 0.00 N ATOM 495 CA ASP A 35 -5.144 -8.884 4.402 1.00 0.00 C ATOM 496 C ASP A 35 -3.983 -9.154 3.457 1.00 0.00 C ATOM 497 O ASP A 35 -3.785 -10.290 3.020 1.00 0.00 O ATOM 498 CB ASP A 35 -6.248 -8.135 3.655 1.00 0.00 C ATOM 499 CG ASP A 35 -6.974 -8.996 2.640 1.00 0.00 C ATOM 500 OD1 ASP A 35 -6.528 -9.069 1.475 1.00 0.00 O ATOM 501 OD2 ASP A 35 -8.015 -9.583 3.001 1.00 0.00 O ATOM 0 H ASP A 35 -4.678 -7.098 5.375 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.522 -9.841 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.969 -7.750 4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.814 -7.274 3.147 1.00 0.00 H new ATOM 506 N CYS A 36 -3.203 -8.117 3.151 1.00 0.00 N ATOM 507 CA CYS A 36 -2.141 -8.248 2.159 1.00 0.00 C ATOM 508 C CYS A 36 -0.902 -8.891 2.759 1.00 0.00 C ATOM 509 O CYS A 36 -0.110 -9.517 2.056 1.00 0.00 O ATOM 510 CB CYS A 36 -1.785 -6.884 1.560 1.00 0.00 C ATOM 511 SG CYS A 36 -0.353 -6.905 0.458 1.00 0.00 S ATOM 0 H CYS A 36 -3.286 -7.191 3.570 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.513 -8.895 1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.647 -6.506 1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.593 -6.183 2.372 1.00 0.00 H new ATOM 0 HG CYS A 36 0.302 -8.016 0.619 1.00 0.00 H new ATOM 517 N GLY A 37 -0.723 -8.734 4.057 1.00 0.00 N ATOM 518 CA GLY A 37 0.438 -9.296 4.705 1.00 0.00 C ATOM 519 C GLY A 37 1.530 -8.265 4.876 1.00 0.00 C ATOM 520 O GLY A 37 2.669 -8.605 5.188 1.00 0.00 O ATOM 0 H GLY A 37 -1.359 -8.228 4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.155 -9.693 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.815 -10.133 4.117 1.00 0.00 H new ATOM 524 N PHE A 38 1.179 -7.000 4.645 1.00 0.00 N ATOM 525 CA PHE A 38 2.077 -5.889 4.826 1.00 0.00 C ATOM 526 C PHE A 38 2.806 -5.966 6.149 1.00 0.00 C ATOM 527 O PHE A 38 2.223 -6.276 7.185 1.00 0.00 O ATOM 528 CB PHE A 38 1.271 -4.604 4.749 1.00 0.00 C ATOM 529 CG PHE A 38 2.078 -3.380 4.555 1.00 0.00 C ATOM 530 CD1 PHE A 38 3.254 -3.524 3.980 1.00 0.00 C ATOM 531 CD2 PHE A 38 1.694 -2.128 4.969 1.00 0.00 C ATOM 532 CE1 PHE A 38 4.086 -2.530 3.760 1.00 0.00 C ATOM 533 CE2 PHE A 38 2.540 -1.060 4.740 1.00 0.00 C ATOM 534 CZ PHE A 38 3.754 -1.298 4.122 1.00 0.00 C ATOM 0 H PHE A 38 0.250 -6.728 4.324 1.00 0.00 H new ATOM 0 HA PHE A 38 2.833 -5.916 4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.558 -4.687 3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.691 -4.499 5.666 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.552 -4.515 3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.746 -1.981 5.465 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.038 -2.716 3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.259 -0.060 5.037 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.433 -0.479 3.934 1.00 0.00 H new ATOM 544 N ASP A 39 4.088 -5.671 6.101 1.00 0.00 N ATOM 545 CA ASP A 39 4.924 -5.751 7.249 1.00 0.00 C ATOM 546 C ASP A 39 6.051 -4.787 7.052 1.00 0.00 C ATOM 547 O ASP A 39 7.127 -5.165 6.614 1.00 0.00 O ATOM 548 CB ASP A 39 5.479 -7.142 7.448 1.00 0.00 C ATOM 549 CG ASP A 39 6.089 -7.306 8.819 1.00 0.00 C ATOM 550 OD1 ASP A 39 5.325 -7.401 9.800 1.00 0.00 O ATOM 551 OD2 ASP A 39 7.331 -7.325 8.923 1.00 0.00 O ATOM 0 H ASP A 39 4.569 -5.369 5.254 1.00 0.00 H new ATOM 0 HA ASP A 39 4.338 -5.509 8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.683 -7.875 7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.232 -7.346 6.687 1.00 0.00 H new ATOM 556 N LYS A 40 5.804 -3.553 7.411 1.00 0.00 N ATOM 557 CA LYS A 40 6.707 -2.442 7.123 1.00 0.00 C ATOM 558 C LYS A 40 8.096 -2.723 7.691 1.00 0.00 C ATOM 559 O LYS A 40 9.083 -2.111 7.291 1.00 0.00 O ATOM 560 CB LYS A 40 6.206 -1.153 7.786 1.00 0.00 C ATOM 561 CG LYS A 40 4.925 -0.573 7.219 1.00 0.00 C ATOM 562 CD LYS A 40 3.684 -1.398 7.522 1.00 0.00 C ATOM 563 CE LYS A 40 3.221 -1.296 8.981 1.00 0.00 C ATOM 564 NZ LYS A 40 4.176 -1.867 9.976 1.00 0.00 N ATOM 0 H LYS A 40 4.963 -3.277 7.918 1.00 0.00 H new ATOM 0 HA LYS A 40 6.745 -2.329 6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.055 -1.348 8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.989 -0.399 7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.786 0.432 7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.029 -0.476 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.874 -1.074 6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.886 -2.443 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.050 -0.247 9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.263 -1.807 9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.651 -2.417 10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.855 -2.487 9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.689 -1.095 10.447 1.00 0.00 H new ATOM 578 N THR A 41 8.148 -3.670 8.614 1.00 0.00 N ATOM 579 CA THR A 41 9.342 -3.967 9.368 1.00 0.00 C ATOM 580 C THR A 41 10.265 -4.852 8.573 1.00 0.00 C ATOM 581 O THR A 41 11.431 -5.036 8.922 1.00 0.00 O ATOM 582 CB THR A 41 8.978 -4.624 10.700 1.00 0.00 C ATOM 583 OG1 THR A 41 7.777 -5.400 10.557 1.00 0.00 O ATOM 584 CG2 THR A 41 8.754 -3.557 11.735 1.00 0.00 C ATOM 0 H THR A 41 7.351 -4.257 8.859 1.00 0.00 H new ATOM 0 HA THR A 41 9.863 -3.032 9.575 1.00 0.00 H new ATOM 0 HB THR A 41 9.793 -5.279 11.008 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.975 -6.221 10.061 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.494 -4.022 12.686 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.664 -2.969 11.855 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.941 -2.905 11.416 1.00 0.00 H new ATOM 592 N LYS A 42 9.732 -5.396 7.494 1.00 0.00 N ATOM 593 CA LYS A 42 10.568 -5.952 6.474 1.00 0.00 C ATOM 594 C LYS A 42 9.694 -6.093 5.294 1.00 0.00 C ATOM 595 O LYS A 42 9.355 -7.160 4.837 1.00 0.00 O ATOM 596 CB LYS A 42 11.014 -7.328 6.949 1.00 0.00 C ATOM 597 CG LYS A 42 9.795 -8.199 7.156 1.00 0.00 C ATOM 598 CD LYS A 42 10.049 -9.472 7.923 1.00 0.00 C ATOM 599 CE LYS A 42 8.725 -10.105 8.326 1.00 0.00 C ATOM 600 NZ LYS A 42 8.280 -9.645 9.667 1.00 0.00 N ATOM 0 H LYS A 42 8.730 -5.459 7.312 1.00 0.00 H new ATOM 0 HA LYS A 42 11.446 -5.345 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.680 -7.782 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.576 -7.241 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.037 -7.619 7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.380 -8.456 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.624 -10.167 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.646 -9.260 8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.964 -9.858 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.827 -11.190 8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.359 -10.071 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.978 -9.932 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.191 -8.609 9.667 1.00 0.00 H new ATOM 614 N HIS A 43 9.571 -4.986 4.696 1.00 0.00 N ATOM 615 CA HIS A 43 8.826 -4.811 3.519 1.00 0.00 C ATOM 616 C HIS A 43 9.109 -3.465 2.937 1.00 0.00 C ATOM 617 O HIS A 43 9.567 -2.550 3.622 1.00 0.00 O ATOM 618 CB HIS A 43 7.369 -4.907 3.881 1.00 0.00 C ATOM 619 CG HIS A 43 6.801 -6.261 3.679 1.00 0.00 C ATOM 620 ND1 HIS A 43 5.572 -6.617 4.128 1.00 0.00 N ATOM 621 CD2 HIS A 43 7.382 -7.378 3.236 1.00 0.00 C ATOM 622 CE1 HIS A 43 5.412 -7.901 4.011 1.00 0.00 C ATOM 623 NE2 HIS A 43 6.497 -8.408 3.452 1.00 0.00 N ATOM 0 H HIS A 43 10.009 -4.127 5.028 1.00 0.00 H new ATOM 0 HA HIS A 43 9.091 -5.571 2.784 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.242 -4.620 4.925 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.805 -4.191 3.282 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.363 -7.458 2.791 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.540 -8.459 4.318 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.651 -9.390 3.222 1.00 0.00 H new ATOM 632 N ASP A 44 8.816 -3.355 1.689 1.00 0.00 N ATOM 633 CA ASP A 44 8.656 -2.093 1.082 1.00 0.00 C ATOM 634 C ASP A 44 7.375 -2.114 0.334 1.00 0.00 C ATOM 635 O ASP A 44 7.148 -2.956 -0.497 1.00 0.00 O ATOM 636 CB ASP A 44 9.747 -1.721 0.086 1.00 0.00 C ATOM 637 CG ASP A 44 11.151 -2.040 0.553 1.00 0.00 C ATOM 638 OD1 ASP A 44 11.663 -1.322 1.440 1.00 0.00 O ATOM 639 OD2 ASP A 44 11.756 -2.996 0.024 1.00 0.00 O ATOM 0 H ASP A 44 8.681 -4.147 1.061 1.00 0.00 H new ATOM 0 HA ASP A 44 8.693 -1.358 1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.561 -2.245 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.681 -0.654 -0.126 1.00 0.00 H new ATOM 644 N LEU A 45 6.584 -1.151 0.585 1.00 0.00 N ATOM 645 CA LEU A 45 5.396 -0.979 -0.043 1.00 0.00 C ATOM 646 C LEU A 45 5.539 0.063 -1.141 1.00 0.00 C ATOM 647 O LEU A 45 6.049 1.145 -0.910 1.00 0.00 O ATOM 648 CB LEU A 45 4.483 -0.552 1.031 1.00 0.00 C ATOM 649 CG LEU A 45 3.252 -0.018 0.505 1.00 0.00 C ATOM 650 CD1 LEU A 45 2.658 -1.002 -0.449 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.304 0.184 1.585 1.00 0.00 C ATOM 0 H LEU A 45 6.785 -0.433 1.281 1.00 0.00 H new ATOM 0 HA LEU A 45 5.025 -1.875 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.264 -1.400 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.973 0.202 1.646 1.00 0.00 H new ATOM 0 HG LEU A 45 3.461 0.928 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.726 -0.603 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.356 -1.184 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.457 -1.938 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.375 0.588 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.103 -0.768 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.721 0.884 2.309 1.00 0.00 H new ATOM 663 N TYR A 46 5.114 -0.266 -2.332 1.00 0.00 N ATOM 664 CA TYR A 46 5.264 0.625 -3.444 1.00 0.00 C ATOM 665 C TYR A 46 3.981 1.321 -3.712 1.00 0.00 C ATOM 666 O TYR A 46 2.888 0.818 -3.467 1.00 0.00 O ATOM 667 CB TYR A 46 5.734 -0.102 -4.709 1.00 0.00 C ATOM 668 CG TYR A 46 7.150 -0.396 -4.688 1.00 0.00 C ATOM 669 CD1 TYR A 46 7.561 -0.840 -3.548 1.00 0.00 C ATOM 670 CD2 TYR A 46 8.031 -0.278 -5.746 1.00 0.00 C ATOM 671 CE1 TYR A 46 8.798 -1.176 -3.303 1.00 0.00 C ATOM 672 CE2 TYR A 46 9.355 -0.617 -5.556 1.00 0.00 C ATOM 673 CZ TYR A 46 9.746 -1.069 -4.312 1.00 0.00 C ATOM 674 OH TYR A 46 11.066 -1.382 -4.075 1.00 0.00 O ATOM 0 H TYR A 46 4.659 -1.151 -2.554 1.00 0.00 H new ATOM 0 HA TYR A 46 6.032 1.352 -3.178 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.175 -1.032 -4.818 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.507 0.511 -5.581 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.839 -0.939 -2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.688 0.074 -6.708 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.082 -1.534 -2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.069 -0.531 -6.362 1.00 0.00 H new ATOM 0 HH TYR A 46 11.283 -1.198 -3.137 1.00 0.00 H new ATOM 684 N TYR A 47 4.165 2.481 -4.205 1.00 0.00 N ATOM 685 CA TYR A 47 3.128 3.409 -4.405 1.00 0.00 C ATOM 686 C TYR A 47 3.317 4.202 -5.688 1.00 0.00 C ATOM 687 O TYR A 47 4.166 5.079 -5.759 1.00 0.00 O ATOM 688 CB TYR A 47 3.101 4.288 -3.184 1.00 0.00 C ATOM 689 CG TYR A 47 2.116 5.289 -3.295 1.00 0.00 C ATOM 690 CD1 TYR A 47 0.955 4.819 -3.681 1.00 0.00 C ATOM 691 CD2 TYR A 47 2.271 6.619 -2.960 1.00 0.00 C ATOM 692 CE1 TYR A 47 -0.084 5.579 -3.771 1.00 0.00 C ATOM 693 CE2 TYR A 47 1.193 7.460 -3.061 1.00 0.00 C ATOM 694 CZ TYR A 47 -0.012 6.924 -3.472 1.00 0.00 C ATOM 695 OH TYR A 47 -1.122 7.722 -3.584 1.00 0.00 O ATOM 0 H TYR A 47 5.081 2.825 -4.492 1.00 0.00 H new ATOM 0 HA TYR A 47 2.170 2.903 -4.529 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.907 3.680 -2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.078 4.750 -3.045 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.866 3.772 -3.929 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.227 6.992 -2.623 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.026 5.155 -4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.283 8.510 -2.826 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.899 8.522 -4.105 1.00 0.00 H new ATOM 705 N ASN A 48 2.447 3.909 -6.656 1.00 0.00 N ATOM 706 CA ASN A 48 2.472 4.422 -8.012 1.00 0.00 C ATOM 707 C ASN A 48 3.793 4.413 -8.628 1.00 0.00 C ATOM 708 O ASN A 48 4.172 3.482 -9.337 1.00 0.00 O ATOM 709 CB ASN A 48 1.838 5.781 -8.101 1.00 0.00 C ATOM 710 CG ASN A 48 2.283 6.822 -7.090 1.00 0.00 C ATOM 711 OD1 ASN A 48 3.298 7.501 -7.255 1.00 0.00 O ATOM 712 ND2 ASN A 48 1.475 6.985 -6.067 1.00 0.00 N ATOM 0 H ASN A 48 1.666 3.272 -6.498 1.00 0.00 H new ATOM 0 HA ASN A 48 1.872 3.722 -8.594 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.027 6.177 -9.099 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.759 5.657 -8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.677 7.698 -5.366 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.646 6.398 -5.973 1.00 0.00 H new ATOM 719 N MET A 49 4.498 5.439 -8.353 1.00 0.00 N ATOM 720 CA MET A 49 5.784 5.557 -8.860 1.00 0.00 C ATOM 721 C MET A 49 6.710 5.088 -7.787 1.00 0.00 C ATOM 722 O MET A 49 7.772 5.658 -7.529 1.00 0.00 O ATOM 723 CB MET A 49 6.015 6.973 -9.340 1.00 0.00 C ATOM 724 CG MET A 49 4.903 7.404 -10.280 1.00 0.00 C ATOM 725 SD MET A 49 4.723 9.196 -10.386 1.00 0.00 S ATOM 726 CE MET A 49 6.330 9.663 -11.033 1.00 0.00 C ATOM 0 H MET A 49 4.190 6.216 -7.768 1.00 0.00 H new ATOM 0 HA MET A 49 5.961 4.940 -9.741 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.061 7.650 -8.487 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.976 7.038 -9.850 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.101 7.005 -11.275 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.962 6.969 -9.944 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.331 10.727 -11.271 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.097 9.457 -10.286 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.539 9.089 -11.936 1.00 0.00 H new ATOM 736 N ASP A 50 6.162 4.088 -7.101 1.00 0.00 N ATOM 737 CA ASP A 50 6.934 3.178 -6.289 1.00 0.00 C ATOM 738 C ASP A 50 7.162 3.636 -4.850 1.00 0.00 C ATOM 739 O ASP A 50 6.561 4.606 -4.393 1.00 0.00 O ATOM 740 CB ASP A 50 8.182 2.912 -7.105 1.00 0.00 C ATOM 741 CG ASP A 50 9.530 3.056 -6.399 1.00 0.00 C ATOM 742 OD1 ASP A 50 10.036 2.068 -5.838 1.00 0.00 O ATOM 743 OD2 ASP A 50 10.103 4.163 -6.434 1.00 0.00 O ATOM 0 H ASP A 50 5.161 3.893 -7.099 1.00 0.00 H new ATOM 0 HA ASP A 50 6.395 2.251 -6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.116 1.898 -7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.176 3.589 -7.960 1.00 0.00 H new ATOM 748 N ILE A 51 8.009 2.895 -4.151 1.00 0.00 N ATOM 749 CA ILE A 51 8.205 2.986 -2.733 1.00 0.00 C ATOM 750 C ILE A 51 8.327 4.385 -2.205 1.00 0.00 C ATOM 751 O ILE A 51 8.912 5.305 -2.786 1.00 0.00 O ATOM 752 CB ILE A 51 9.458 2.175 -2.380 1.00 0.00 C ATOM 753 CG1 ILE A 51 9.117 1.116 -1.379 1.00 0.00 C ATOM 754 CG2 ILE A 51 10.610 3.013 -1.881 1.00 0.00 C ATOM 755 CD1 ILE A 51 8.749 1.651 -0.020 1.00 0.00 C ATOM 0 H ILE A 51 8.599 2.186 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 51 7.310 2.586 -2.256 1.00 0.00 H new ATOM 0 HB ILE A 51 9.798 1.720 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.286 0.523 -1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.968 0.442 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.458 2.367 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.897 3.731 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.308 3.547 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.516 0.821 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.586 2.219 0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.878 2.301 -0.108 1.00 0.00 H new ATOM 767 N LEU A 52 7.651 4.481 -1.099 1.00 0.00 N ATOM 768 CA LEU A 52 7.538 5.668 -0.289 1.00 0.00 C ATOM 769 C LEU A 52 8.875 6.277 0.143 1.00 0.00 C ATOM 770 O LEU A 52 9.955 5.763 -0.152 1.00 0.00 O ATOM 771 CB LEU A 52 6.710 5.317 0.933 1.00 0.00 C ATOM 772 CG LEU A 52 5.276 4.924 0.670 1.00 0.00 C ATOM 773 CD1 LEU A 52 4.693 5.713 -0.466 1.00 0.00 C ATOM 774 CD2 LEU A 52 5.110 3.441 0.421 1.00 0.00 C ATOM 0 H LEU A 52 7.133 3.692 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 52 7.065 6.435 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.201 4.496 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.713 6.173 1.608 1.00 0.00 H new ATOM 0 HG LEU A 52 4.726 5.161 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.660 5.406 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.722 6.775 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.273 5.531 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.059 3.218 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.699 3.150 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.452 2.885 1.294 1.00 0.00 H new ATOM 786 N ASP A 53 8.762 7.372 0.879 1.00 0.00 N ATOM 787 CA ASP A 53 9.865 8.204 1.282 1.00 0.00 C ATOM 788 C ASP A 53 10.592 7.658 2.509 1.00 0.00 C ATOM 789 O ASP A 53 10.316 6.553 2.964 1.00 0.00 O ATOM 790 CB ASP A 53 9.310 9.585 1.593 1.00 0.00 C ATOM 791 CG ASP A 53 8.193 9.565 2.620 1.00 0.00 C ATOM 792 OD1 ASP A 53 7.203 8.825 2.428 1.00 0.00 O ATOM 793 OD2 ASP A 53 8.309 10.288 3.626 1.00 0.00 O ATOM 0 H ASP A 53 7.862 7.711 1.220 1.00 0.00 H new ATOM 0 HA ASP A 53 10.594 8.234 0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.118 10.220 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.940 10.036 0.672 1.00 0.00 H new ATOM 798 N SER A 54 11.523 8.453 3.034 1.00 0.00 N ATOM 799 CA SER A 54 12.284 8.086 4.232 1.00 0.00 C ATOM 800 C SER A 54 11.436 8.199 5.503 1.00 0.00 C ATOM 801 O SER A 54 11.878 7.828 6.592 1.00 0.00 O ATOM 802 CB SER A 54 13.525 8.979 4.342 1.00 0.00 C ATOM 803 OG SER A 54 13.176 10.352 4.242 1.00 0.00 O ATOM 0 H SER A 54 11.771 9.363 2.646 1.00 0.00 H new ATOM 0 HA SER A 54 12.586 7.043 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.026 8.796 5.293 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.233 8.722 3.554 1.00 0.00 H new ATOM 0 HG SER A 54 13.984 10.901 4.317 1.00 0.00 H new ATOM 809 N ASN A 55 10.210 8.684 5.357 1.00 0.00 N ATOM 810 CA ASN A 55 9.302 8.855 6.477 1.00 0.00 C ATOM 811 C ASN A 55 8.116 7.969 6.198 1.00 0.00 C ATOM 812 O ASN A 55 7.203 7.815 7.005 1.00 0.00 O ATOM 813 CB ASN A 55 8.832 10.305 6.618 1.00 0.00 C ATOM 814 CG ASN A 55 9.923 11.333 6.382 1.00 0.00 C ATOM 815 OD1 ASN A 55 10.629 11.740 7.307 1.00 0.00 O ATOM 816 ND2 ASN A 55 10.053 11.769 5.139 1.00 0.00 N ATOM 0 H ASN A 55 9.820 8.969 4.459 1.00 0.00 H new ATOM 0 HA ASN A 55 9.807 8.595 7.408 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.020 10.483 5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.423 10.448 7.618 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.760 12.470 4.916 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.447 11.404 4.404 1.00 0.00 H new ATOM 823 N ARG A 56 8.212 7.383 5.014 1.00 0.00 N ATOM 824 CA ARG A 56 7.348 6.447 4.449 1.00 0.00 C ATOM 825 C ARG A 56 5.890 6.600 4.775 1.00 0.00 C ATOM 826 O ARG A 56 5.356 6.092 5.766 1.00 0.00 O ATOM 827 CB ARG A 56 7.877 5.095 4.676 1.00 0.00 C ATOM 828 CG ARG A 56 9.249 5.065 5.288 1.00 0.00 C ATOM 829 CD ARG A 56 9.774 3.646 5.394 1.00 0.00 C ATOM 830 NE ARG A 56 9.890 3.007 4.075 1.00 0.00 N ATOM 831 CZ ARG A 56 10.440 1.802 3.883 1.00 0.00 C ATOM 832 NH1 ARG A 56 10.894 1.109 4.920 1.00 0.00 N ATOM 833 NH2 ARG A 56 10.533 1.292 2.660 1.00 0.00 N ATOM 0 H ARG A 56 8.989 7.597 4.389 1.00 0.00 H new ATOM 0 HA ARG A 56 7.335 6.649 3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.190 4.552 5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.904 4.563 3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.932 5.664 4.685 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.218 5.518 6.279 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.749 3.655 5.881 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.108 3.058 6.025 1.00 0.00 H new ATOM 0 HE ARG A 56 9.532 3.509 3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.823 1.495 5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.313 0.191 4.775 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.184 1.819 1.860 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.953 0.373 2.521 1.00 0.00 H new ATOM 847 N THR A 57 5.316 7.343 3.867 1.00 0.00 N ATOM 848 CA THR A 57 3.919 7.448 3.651 1.00 0.00 C ATOM 849 C THR A 57 3.259 8.577 4.435 1.00 0.00 C ATOM 850 O THR A 57 3.271 8.614 5.668 1.00 0.00 O ATOM 851 CB THR A 57 3.248 6.122 3.958 1.00 0.00 C ATOM 852 OG1 THR A 57 3.945 5.048 3.311 1.00 0.00 O ATOM 853 CG2 THR A 57 1.842 6.164 3.471 1.00 0.00 C ATOM 0 H THR A 57 5.856 7.923 3.224 1.00 0.00 H new ATOM 0 HA THR A 57 3.785 7.699 2.599 1.00 0.00 H new ATOM 0 HB THR A 57 3.266 5.954 5.035 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.332 4.576 2.709 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.353 5.214 3.688 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.307 6.970 3.973 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.835 6.338 2.395 1.00 0.00 H new ATOM 861 N GLN A 58 2.685 9.496 3.677 1.00 0.00 N ATOM 862 CA GLN A 58 1.789 10.467 4.155 1.00 0.00 C ATOM 863 C GLN A 58 0.418 9.894 3.908 1.00 0.00 C ATOM 864 O GLN A 58 0.295 8.820 3.334 1.00 0.00 O ATOM 865 CB GLN A 58 1.987 11.808 3.450 1.00 0.00 C ATOM 866 CG GLN A 58 2.126 11.677 1.953 1.00 0.00 C ATOM 867 CD GLN A 58 3.560 11.483 1.495 1.00 0.00 C ATOM 868 OE1 GLN A 58 4.041 10.356 1.390 1.00 0.00 O ATOM 869 NE2 GLN A 58 4.250 12.577 1.216 1.00 0.00 N ATOM 0 H GLN A 58 2.855 9.566 2.674 1.00 0.00 H new ATOM 0 HA GLN A 58 1.945 10.679 5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.141 12.458 3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.877 12.294 3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.526 10.833 1.612 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.718 12.570 1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.815 13.494 1.316 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.217 12.503 0.901 1.00 0.00 H new ATOM 878 N SER A 59 -0.580 10.566 4.350 1.00 0.00 N ATOM 879 CA SER A 59 -1.910 10.000 4.424 1.00 0.00 C ATOM 880 C SER A 59 -2.451 9.629 3.054 1.00 0.00 C ATOM 881 O SER A 59 -1.851 9.958 2.042 1.00 0.00 O ATOM 882 CB SER A 59 -2.844 10.993 5.065 1.00 0.00 C ATOM 883 OG SER A 59 -2.149 12.153 5.474 1.00 0.00 O ATOM 0 H SER A 59 -0.515 11.530 4.676 1.00 0.00 H new ATOM 0 HA SER A 59 -1.845 9.090 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.630 11.265 4.360 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.332 10.535 5.925 1.00 0.00 H new ATOM 0 HG SER A 59 -2.594 12.542 6.256 1.00 0.00 H new ATOM 889 N LEU A 60 -3.598 8.964 3.032 1.00 0.00 N ATOM 890 CA LEU A 60 -4.265 8.625 1.762 1.00 0.00 C ATOM 891 C LEU A 60 -4.305 9.819 0.820 1.00 0.00 C ATOM 892 O LEU A 60 -3.828 9.765 -0.316 1.00 0.00 O ATOM 893 CB LEU A 60 -5.720 8.261 2.005 1.00 0.00 C ATOM 894 CG LEU A 60 -6.010 7.298 3.132 1.00 0.00 C ATOM 895 CD1 LEU A 60 -7.425 7.476 3.573 1.00 0.00 C ATOM 896 CD2 LEU A 60 -5.799 5.883 2.693 1.00 0.00 C ATOM 0 H LEU A 60 -4.091 8.646 3.867 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.698 7.798 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.271 9.182 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.120 7.835 1.085 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.329 7.507 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.642 6.784 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.573 8.499 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.095 7.275 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.014 5.209 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.465 5.657 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.764 5.751 2.377 1.00 0.00 H new ATOM 908 N LYS A 61 -4.869 10.908 1.319 1.00 0.00 N ATOM 909 CA LYS A 61 -5.017 12.123 0.538 1.00 0.00 C ATOM 910 C LYS A 61 -3.693 12.832 0.311 1.00 0.00 C ATOM 911 O LYS A 61 -3.531 13.557 -0.672 1.00 0.00 O ATOM 912 CB LYS A 61 -6.104 13.053 1.068 1.00 0.00 C ATOM 913 CG LYS A 61 -5.654 13.820 2.238 1.00 0.00 C ATOM 914 CD LYS A 61 -5.200 12.859 3.280 1.00 0.00 C ATOM 915 CE LYS A 61 -5.083 13.480 4.669 1.00 0.00 C ATOM 916 NZ LYS A 61 -4.318 14.758 4.680 1.00 0.00 N ATOM 0 H LYS A 61 -5.234 10.973 2.269 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.365 11.803 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.408 13.741 0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.983 12.467 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.842 14.492 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.465 14.440 2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.898 12.023 3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.232 12.451 2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.083 13.660 5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.598 12.769 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.444 14.635 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.078 15.027 3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.897 15.506 5.113 1.00 0.00 H new ATOM 930 N GLU A 62 -2.736 12.616 1.200 1.00 0.00 N ATOM 931 CA GLU A 62 -1.438 13.250 1.040 1.00 0.00 C ATOM 932 C GLU A 62 -0.575 12.468 0.068 1.00 0.00 C ATOM 933 O GLU A 62 0.277 13.035 -0.615 1.00 0.00 O ATOM 934 CB GLU A 62 -0.747 13.411 2.369 1.00 0.00 C ATOM 935 CG GLU A 62 -1.566 14.229 3.330 1.00 0.00 C ATOM 936 CD GLU A 62 -0.783 14.744 4.517 1.00 0.00 C ATOM 937 OE1 GLU A 62 0.460 14.665 4.507 1.00 0.00 O ATOM 938 OE2 GLU A 62 -1.422 15.231 5.471 1.00 0.00 O ATOM 0 H GLU A 62 -2.829 12.020 2.022 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.597 14.246 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.555 12.428 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.222 13.888 2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.997 15.076 2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.398 13.623 3.691 1.00 0.00 H new ATOM 945 N LEU A 63 -0.793 11.161 0.022 1.00 0.00 N ATOM 946 CA LEU A 63 -0.158 10.320 -0.986 1.00 0.00 C ATOM 947 C LEU A 63 -0.674 10.682 -2.357 1.00 0.00 C ATOM 948 O LEU A 63 0.087 10.822 -3.317 1.00 0.00 O ATOM 949 CB LEU A 63 -0.426 8.824 -0.765 1.00 0.00 C ATOM 950 CG LEU A 63 0.160 8.212 0.499 1.00 0.00 C ATOM 951 CD1 LEU A 63 -0.289 6.766 0.630 1.00 0.00 C ATOM 952 CD2 LEU A 63 1.680 8.294 0.468 1.00 0.00 C ATOM 0 H LEU A 63 -1.403 10.660 0.668 1.00 0.00 H new ATOM 0 HA LEU A 63 0.914 10.497 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.505 8.668 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.035 8.276 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.199 8.772 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.134 6.334 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.377 6.726 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.053 6.199 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.087 7.853 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.056 7.750 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.987 9.338 0.402 1.00 0.00 H new ATOM 964 N GLY A 64 -1.985 10.838 -2.444 1.00 0.00 N ATOM 965 CA GLY A 64 -2.618 11.044 -3.716 1.00 0.00 C ATOM 966 C GLY A 64 -3.356 9.803 -4.147 1.00 0.00 C ATOM 967 O GLY A 64 -3.512 9.550 -5.335 1.00 0.00 O ATOM 0 H GLY A 64 -2.621 10.824 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.312 11.882 -3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.869 11.306 -4.463 1.00 0.00 H new ATOM 971 N LEU A 65 -3.833 9.034 -3.170 1.00 0.00 N ATOM 972 CA LEU A 65 -4.480 7.762 -3.458 1.00 0.00 C ATOM 973 C LEU A 65 -5.865 7.993 -4.030 1.00 0.00 C ATOM 974 O LEU A 65 -6.479 9.045 -3.828 1.00 0.00 O ATOM 975 CB LEU A 65 -4.607 6.890 -2.207 1.00 0.00 C ATOM 976 CG LEU A 65 -3.380 6.117 -1.755 1.00 0.00 C ATOM 977 CD1 LEU A 65 -3.574 5.604 -0.335 1.00 0.00 C ATOM 978 CD2 LEU A 65 -3.091 4.960 -2.685 1.00 0.00 C ATOM 0 H LEU A 65 -3.783 9.270 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.853 7.244 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.922 7.530 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.410 6.173 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.528 6.796 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.687 5.052 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.732 6.447 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.442 4.946 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.208 4.425 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.944 4.282 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.913 5.338 -3.692 1.00 0.00 H new ATOM 990 N LYS A 66 -6.335 6.978 -4.717 1.00 0.00 N ATOM 991 CA LYS A 66 -7.630 7.041 -5.389 1.00 0.00 C ATOM 992 C LYS A 66 -8.014 5.766 -6.136 1.00 0.00 C ATOM 993 O LYS A 66 -7.505 4.676 -5.875 1.00 0.00 O ATOM 994 CB LYS A 66 -7.676 8.232 -6.368 1.00 0.00 C ATOM 995 CG LYS A 66 -6.825 8.066 -7.622 1.00 0.00 C ATOM 996 CD LYS A 66 -5.345 8.109 -7.325 1.00 0.00 C ATOM 997 CE LYS A 66 -4.627 9.119 -8.198 1.00 0.00 C ATOM 998 NZ LYS A 66 -4.920 10.516 -7.785 1.00 0.00 N ATOM 0 H LYS A 66 -5.844 6.091 -4.831 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.359 7.169 -4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.711 8.397 -6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.350 9.129 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.069 7.117 -8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.073 8.854 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.192 8.361 -6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.913 7.120 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.552 8.943 -8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.925 8.978 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.465 11.176 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.948 10.672 -7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.552 10.679 -6.826 1.00 0.00 H new ATOM 1012 N THR A 67 -8.906 5.970 -7.091 1.00 0.00 N ATOM 1013 CA THR A 67 -9.495 4.909 -7.893 1.00 0.00 C ATOM 1014 C THR A 67 -8.452 4.358 -8.862 1.00 0.00 C ATOM 1015 O THR A 67 -8.606 3.280 -9.439 1.00 0.00 O ATOM 1016 CB THR A 67 -10.712 5.450 -8.671 1.00 0.00 C ATOM 1017 OG1 THR A 67 -11.528 6.234 -7.788 1.00 0.00 O ATOM 1018 CG2 THR A 67 -11.543 4.319 -9.255 1.00 0.00 C ATOM 0 H THR A 67 -9.249 6.899 -7.336 1.00 0.00 H new ATOM 0 HA THR A 67 -9.829 4.106 -7.236 1.00 0.00 H new ATOM 0 HB THR A 67 -10.347 6.064 -9.494 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.302 6.581 -8.279 1.00 0.00 H new ATOM 0 HG21 THR A 67 -12.393 4.734 -9.797 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.929 3.732 -9.938 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.904 3.679 -8.450 1.00 0.00 H new ATOM 1026 N ASP A 68 -7.384 5.118 -9.019 1.00 0.00 N ATOM 1027 CA ASP A 68 -6.326 4.794 -9.955 1.00 0.00 C ATOM 1028 C ASP A 68 -5.084 4.271 -9.233 1.00 0.00 C ATOM 1029 O ASP A 68 -4.123 3.836 -9.875 1.00 0.00 O ATOM 1030 CB ASP A 68 -5.981 6.053 -10.765 1.00 0.00 C ATOM 1031 CG ASP A 68 -4.851 5.852 -11.754 1.00 0.00 C ATOM 1032 OD1 ASP A 68 -5.103 5.292 -12.841 1.00 0.00 O ATOM 1033 OD2 ASP A 68 -3.712 6.274 -11.459 1.00 0.00 O ATOM 0 H ASP A 68 -7.226 5.981 -8.498 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.672 4.004 -10.621 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.869 6.382 -11.304 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.711 6.854 -10.077 1.00 0.00 H new ATOM 1038 N ASP A 69 -5.092 4.269 -7.901 1.00 0.00 N ATOM 1039 CA ASP A 69 -3.856 4.001 -7.189 1.00 0.00 C ATOM 1040 C ASP A 69 -3.851 2.639 -6.524 1.00 0.00 C ATOM 1041 O ASP A 69 -4.804 1.869 -6.642 1.00 0.00 O ATOM 1042 CB ASP A 69 -3.519 5.101 -6.198 1.00 0.00 C ATOM 1043 CG ASP A 69 -2.307 5.895 -6.649 1.00 0.00 C ATOM 1044 OD1 ASP A 69 -1.171 5.428 -6.435 1.00 0.00 O ATOM 1045 OD2 ASP A 69 -2.488 6.974 -7.248 1.00 0.00 O ATOM 0 H ASP A 69 -5.909 4.443 -7.316 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.069 3.988 -7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.374 5.769 -6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.327 4.664 -5.218 1.00 0.00 H new ATOM 1050 N LEU A 70 -2.758 2.361 -5.829 1.00 0.00 N ATOM 1051 CA LEU A 70 -2.353 1.001 -5.514 1.00 0.00 C ATOM 1052 C LEU A 70 -1.288 0.958 -4.434 1.00 0.00 C ATOM 1053 O LEU A 70 -0.535 1.918 -4.276 1.00 0.00 O ATOM 1054 CB LEU A 70 -1.835 0.290 -6.755 1.00 0.00 C ATOM 1055 CG LEU A 70 -0.583 0.832 -7.392 1.00 0.00 C ATOM 1056 CD1 LEU A 70 -0.676 2.320 -7.486 1.00 0.00 C ATOM 1057 CD2 LEU A 70 0.694 0.396 -6.683 1.00 0.00 C ATOM 0 H LEU A 70 -2.126 3.075 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.241 0.490 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.656 -0.753 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.626 0.301 -7.505 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.515 0.407 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.230 2.713 -7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.539 2.593 -8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.787 2.741 -6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.557 0.822 -7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.674 0.745 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.765 -0.692 -6.697 1.00 0.00 H new ATOM 1069 N LEU A 71 -1.224 -0.150 -3.695 1.00 0.00 N ATOM 1070 CA LEU A 71 -0.023 -0.461 -2.918 1.00 0.00 C ATOM 1071 C LEU A 71 0.600 -1.743 -3.389 1.00 0.00 C ATOM 1072 O LEU A 71 -0.071 -2.657 -3.851 1.00 0.00 O ATOM 1073 CB LEU A 71 -0.265 -0.617 -1.433 1.00 0.00 C ATOM 1074 CG LEU A 71 -0.310 0.662 -0.600 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -0.035 1.875 -1.448 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -1.627 0.785 0.113 1.00 0.00 C ATOM 0 H LEU A 71 -1.975 -0.836 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 71 0.629 0.398 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.210 -1.143 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.518 -1.258 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 71 0.477 0.603 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.074 2.770 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.954 1.788 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.786 1.947 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.638 1.703 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.435 0.812 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.764 -0.071 0.774 1.00 0.00 H new ATOM 1088 N LEU A 72 1.895 -1.781 -3.269 1.00 0.00 N ATOM 1089 CA LEU A 72 2.682 -2.924 -3.623 1.00 0.00 C ATOM 1090 C LEU A 72 3.575 -3.467 -2.506 1.00 0.00 C ATOM 1091 O LEU A 72 4.502 -2.816 -2.066 1.00 0.00 O ATOM 1092 CB LEU A 72 3.494 -2.456 -4.762 1.00 0.00 C ATOM 1093 CG LEU A 72 2.947 -2.966 -6.061 1.00 0.00 C ATOM 1094 CD1 LEU A 72 3.181 -1.966 -7.171 1.00 0.00 C ATOM 1095 CD2 LEU A 72 3.506 -4.318 -6.426 1.00 0.00 C ATOM 0 H LEU A 72 2.445 -0.999 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 72 2.032 -3.769 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.514 -1.366 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.524 -2.792 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 72 1.872 -3.093 -5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.776 -2.357 -8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.685 -1.027 -6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.251 -1.792 -7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.079 -4.644 -7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.590 -4.250 -6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.254 -5.038 -5.648 1.00 0.00 H new ATOM 1107 N ILE A 73 3.326 -4.689 -2.094 1.00 0.00 N ATOM 1108 CA ILE A 73 4.068 -5.245 -0.928 1.00 0.00 C ATOM 1109 C ILE A 73 5.294 -6.013 -1.249 1.00 0.00 C ATOM 1110 O ILE A 73 5.263 -7.198 -1.532 1.00 0.00 O ATOM 1111 CB ILE A 73 3.216 -6.086 0.021 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.427 -5.120 0.800 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.024 -6.967 0.970 1.00 0.00 C ATOM 1114 CD1 ILE A 73 3.212 -3.871 1.103 1.00 0.00 C ATOM 0 H ILE A 73 2.643 -5.319 -2.516 1.00 0.00 H new ATOM 0 HA ILE A 73 4.370 -4.325 -0.428 1.00 0.00 H new ATOM 0 HB ILE A 73 2.610 -6.779 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.525 -4.857 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.105 -5.582 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.345 -7.531 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.637 -7.659 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.668 -6.341 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.593 -3.183 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.100 -4.130 1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.511 -3.394 0.170 1.00 0.00 H new ATOM 1126 N ARG A 74 6.392 -5.370 -1.069 1.00 0.00 N ATOM 1127 CA ARG A 74 7.632 -6.038 -1.309 1.00 0.00 C ATOM 1128 C ARG A 74 8.505 -6.014 -0.106 1.00 0.00 C ATOM 1129 O ARG A 74 8.064 -5.772 0.996 1.00 0.00 O ATOM 1130 CB ARG A 74 8.370 -5.433 -2.475 1.00 0.00 C ATOM 1131 CG ARG A 74 9.357 -4.351 -2.137 1.00 0.00 C ATOM 1132 CD ARG A 74 10.087 -3.932 -3.376 1.00 0.00 C ATOM 1133 NE ARG A 74 11.052 -4.917 -3.853 1.00 0.00 N ATOM 1134 CZ ARG A 74 11.156 -5.262 -5.137 1.00 0.00 C ATOM 1135 NH1 ARG A 74 10.277 -4.802 -6.015 1.00 0.00 N ATOM 1136 NH2 ARG A 74 12.111 -6.084 -5.541 1.00 0.00 N ATOM 0 H ARG A 74 6.464 -4.400 -0.762 1.00 0.00 H new ATOM 0 HA ARG A 74 7.387 -7.073 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.899 -6.230 -2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.638 -5.025 -3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.840 -3.496 -1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.065 -4.711 -1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.361 -3.736 -4.165 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.606 -2.994 -3.181 1.00 0.00 H new ATOM 0 HE ARG A 74 11.673 -5.360 -3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.524 -4.186 -5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.353 -5.064 -6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.778 -6.461 -4.868 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.180 -6.341 -6.526 1.00 0.00 H new ATOM 1150 N GLY A 75 9.709 -6.401 -0.360 1.00 0.00 N ATOM 1151 CA GLY A 75 10.810 -6.154 0.522 1.00 0.00 C ATOM 1152 C GLY A 75 11.596 -7.391 0.728 1.00 0.00 C ATOM 1153 O GLY A 75 12.178 -7.946 -0.204 1.00 0.00 O ATOM 0 H GLY A 75 9.966 -6.910 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.449 -5.375 0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.441 -5.787 1.480 1.00 0.00 H new ATOM 1157 N LYS A 76 11.609 -7.796 1.959 1.00 0.00 N ATOM 1158 CA LYS A 76 11.970 -9.090 2.340 1.00 0.00 C ATOM 1159 C LYS A 76 13.389 -9.457 2.041 1.00 0.00 C ATOM 1160 O LYS A 76 14.254 -8.648 1.710 1.00 0.00 O ATOM 1161 CB LYS A 76 11.017 -10.077 1.698 1.00 0.00 C ATOM 1162 CG LYS A 76 9.599 -9.853 2.155 1.00 0.00 C ATOM 1163 CD LYS A 76 9.496 -9.966 3.658 1.00 0.00 C ATOM 1164 CE LYS A 76 10.132 -11.255 4.136 1.00 0.00 C ATOM 1165 NZ LYS A 76 9.845 -11.546 5.559 1.00 0.00 N ATOM 0 H LYS A 76 11.355 -7.196 2.744 1.00 0.00 H new ATOM 0 HA LYS A 76 11.896 -9.126 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.070 -9.983 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.324 -11.093 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.261 -8.867 1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.941 -10.584 1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.988 -9.114 4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.449 -9.936 3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.773 -12.081 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.211 -11.197 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.734 -11.548 6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.209 -10.817 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.390 -12.478 5.638 1.00 0.00 H new ATOM 1179 N ILE A 77 13.564 -10.708 2.230 1.00 0.00 N ATOM 1180 CA ILE A 77 14.813 -11.379 2.093 1.00 0.00 C ATOM 1181 C ILE A 77 15.223 -11.549 0.622 1.00 0.00 C ATOM 1182 O ILE A 77 16.022 -10.768 0.104 1.00 0.00 O ATOM 1183 CB ILE A 77 14.719 -12.738 2.801 1.00 0.00 C ATOM 1184 CG1 ILE A 77 14.597 -12.550 4.315 1.00 0.00 C ATOM 1185 CG2 ILE A 77 15.919 -13.623 2.479 1.00 0.00 C ATOM 1186 CD1 ILE A 77 13.319 -11.910 4.802 1.00 0.00 C ATOM 0 H ILE A 77 12.804 -11.332 2.499 1.00 0.00 H new ATOM 0 HA ILE A 77 15.590 -10.771 2.556 1.00 0.00 H new ATOM 0 HB ILE A 77 13.823 -13.237 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 77 14.696 -13.525 4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 77 15.436 -11.943 4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 77 15.818 -14.576 2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 77 15.964 -13.798 1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.834 -13.128 2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.344 -11.828 5.889 1.00 0.00 H new ATOM 0 HD12 ILE A 77 13.220 -10.916 4.365 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.469 -12.523 4.504 1.00 0.00 H new ATOM 1198 N SER A 78 14.673 -12.556 -0.052 1.00 0.00 N ATOM 1199 CA SER A 78 15.116 -12.897 -1.397 1.00 0.00 C ATOM 1200 C SER A 78 13.968 -12.880 -2.407 1.00 0.00 C ATOM 1201 O SER A 78 14.175 -12.565 -3.585 1.00 0.00 O ATOM 1202 CB SER A 78 15.774 -14.280 -1.376 1.00 0.00 C ATOM 1203 OG SER A 78 16.240 -14.659 -2.661 1.00 0.00 O ATOM 0 H SER A 78 13.924 -13.146 0.310 1.00 0.00 H new ATOM 0 HA SER A 78 15.834 -12.141 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.607 -14.276 -0.673 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.057 -15.018 -1.016 1.00 0.00 H new ATOM 0 HG SER A 78 16.655 -15.545 -2.610 1.00 0.00 H new ATOM 1209 N ASN A 79 12.764 -13.206 -1.951 1.00 0.00 N ATOM 1210 CA ASN A 79 11.607 -13.334 -2.838 1.00 0.00 C ATOM 1211 C ASN A 79 11.025 -11.971 -3.221 1.00 0.00 C ATOM 1212 O ASN A 79 9.835 -11.717 -3.049 1.00 0.00 O ATOM 1213 CB ASN A 79 10.526 -14.224 -2.200 1.00 0.00 C ATOM 1214 CG ASN A 79 10.015 -13.718 -0.857 1.00 0.00 C ATOM 1215 OD1 ASN A 79 10.742 -13.089 -0.086 1.00 0.00 O ATOM 1216 ND2 ASN A 79 8.754 -14.000 -0.569 1.00 0.00 N ATOM 0 H ASN A 79 12.560 -13.388 -0.968 1.00 0.00 H new ATOM 0 HA ASN A 79 11.955 -13.809 -3.755 1.00 0.00 H new ATOM 0 HB2 ASN A 79 9.685 -14.306 -2.889 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.929 -15.228 -2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.353 -13.694 0.317 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.184 -14.523 -1.234 1.00 0.00 H new ATOM 1223 N SER A 80 11.874 -11.097 -3.743 1.00 0.00 N ATOM 1224 CA SER A 80 11.443 -9.793 -4.220 1.00 0.00 C ATOM 1225 C SER A 80 12.408 -9.242 -5.263 1.00 0.00 C ATOM 1226 O SER A 80 13.333 -8.495 -4.937 1.00 0.00 O ATOM 1227 CB SER A 80 11.314 -8.794 -3.064 1.00 0.00 C ATOM 1228 OG SER A 80 10.250 -9.138 -2.195 1.00 0.00 O ATOM 0 H SER A 80 12.874 -11.271 -3.847 1.00 0.00 H new ATOM 0 HA SER A 80 10.464 -9.927 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.248 -8.763 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.149 -7.793 -3.464 1.00 0.00 H new ATOM 0 HG SER A 80 10.477 -8.873 -1.279 1.00 0.00 H new TER 1234 SER A 80