USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -158:sc= -0.945 (180deg=-2.15!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -4.8! C(o=-4.8!,f=-5.3!) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 9 SER OG : rot -10:sc= 0.405! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0643 USER MOD Single : A 16 LYS NZ :NH3+ -116:sc= -1.57 (180deg=-4.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -135:sc= -0.309 (180deg=-2.61) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -4.24! C(o=-4.2!,f=-8.6!) USER MOD Single : A 49 SER OG : rot -140:sc= -2.07! USER MOD Single : A 50 ASN : amide:sc= -4.76 K(o=-4.8,f=-5.6!) USER MOD Single : A 52 ASN : amide:sc= -2.94! C(o=-2.9!,f=-3.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 82 THR OG1 : rot -160:sc= -0.437 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.059 -11.050 -0.945 1.00 0.00 N ATOM 2 CA VAL A 1 -1.501 -11.640 0.306 1.00 0.00 C ATOM 3 C VAL A 1 -2.301 -11.159 1.519 1.00 0.00 C ATOM 4 O VAL A 1 -2.826 -10.064 1.535 1.00 0.00 O ATOM 5 CB VAL A 1 -0.059 -11.133 0.375 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.591 -11.259 -1.003 1.00 0.00 C ATOM 7 CG2 VAL A 1 -0.051 -9.664 0.811 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.784 -11.637 -1.758 1.00 0.00 H new ATOM 0 H2 VAL A 1 -3.096 -11.014 -0.879 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.687 -10.087 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.549 -12.729 0.307 1.00 0.00 H new ATOM 0 HB VAL A 1 0.500 -11.728 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.618 -10.898 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.588 -12.304 -1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.031 -10.665 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 1 0.977 -9.305 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.610 -9.068 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.514 -9.574 1.794 1.00 0.00 H new ATOM 19 N THR A 2 -2.402 -11.971 2.536 1.00 0.00 N ATOM 20 CA THR A 2 -3.174 -11.559 3.743 1.00 0.00 C ATOM 21 C THR A 2 -2.285 -11.598 4.988 1.00 0.00 C ATOM 22 O THR A 2 -1.405 -12.429 5.113 1.00 0.00 O ATOM 23 CB THR A 2 -4.301 -12.587 3.858 1.00 0.00 C ATOM 24 OG1 THR A 2 -5.039 -12.616 2.645 1.00 0.00 O ATOM 25 CG2 THR A 2 -5.227 -12.204 5.014 1.00 0.00 C ATOM 0 H THR A 2 -1.984 -12.900 2.583 1.00 0.00 H new ATOM 0 HA THR A 2 -3.553 -10.540 3.660 1.00 0.00 H new ATOM 0 HB THR A 2 -3.877 -13.573 4.048 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.760 -13.275 2.717 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.030 -12.937 5.095 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.659 -12.184 5.944 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.653 -11.218 4.828 1.00 0.00 H new ATOM 33 N VAL A 3 -2.516 -10.708 5.917 1.00 0.00 N ATOM 34 CA VAL A 3 -1.695 -10.694 7.161 1.00 0.00 C ATOM 35 C VAL A 3 -2.296 -11.662 8.181 1.00 0.00 C ATOM 36 O VAL A 3 -3.431 -11.520 8.588 1.00 0.00 O ATOM 37 CB VAL A 3 -1.771 -9.254 7.670 1.00 0.00 C ATOM 38 CG1 VAL A 3 -1.181 -9.179 9.079 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.978 -8.342 6.733 1.00 0.00 C ATOM 0 H VAL A 3 -3.239 -9.990 5.867 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.664 -11.004 6.990 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.812 -8.931 7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.235 -8.153 9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.747 -9.830 9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.140 -9.501 9.055 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.031 -7.315 7.094 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.063 -8.664 6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.400 -8.396 5.729 1.00 0.00 H new ATOM 49 N GLN A 4 -1.552 -12.653 8.590 1.00 0.00 N ATOM 50 CA GLN A 4 -2.096 -13.632 9.572 1.00 0.00 C ATOM 51 C GLN A 4 -1.416 -13.472 10.935 1.00 0.00 C ATOM 52 O GLN A 4 -0.227 -13.681 11.074 1.00 0.00 O ATOM 53 CB GLN A 4 -1.777 -15.003 8.972 1.00 0.00 C ATOM 54 CG GLN A 4 -2.224 -16.101 9.938 1.00 0.00 C ATOM 55 CD GLN A 4 -1.829 -17.468 9.374 1.00 0.00 C ATOM 56 OE1 GLN A 4 -0.661 -17.747 9.189 1.00 0.00 O ATOM 57 NE2 GLN A 4 -2.760 -18.337 9.090 1.00 0.00 N ATOM 0 H GLN A 4 -0.594 -12.827 8.287 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.164 -13.491 9.741 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.284 -15.119 8.014 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.707 -15.087 8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.763 -15.951 10.914 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.303 -16.054 10.085 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.741 -18.103 9.245 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.507 -19.250 8.713 1.00 0.00 H new ATOM 66 N ASP A 5 -2.166 -13.115 11.942 1.00 0.00 N ATOM 67 CA ASP A 5 -1.566 -12.955 13.299 1.00 0.00 C ATOM 68 C ASP A 5 -1.704 -14.264 14.081 1.00 0.00 C ATOM 69 O ASP A 5 -1.471 -14.317 15.272 1.00 0.00 O ATOM 70 CB ASP A 5 -2.377 -11.842 13.963 1.00 0.00 C ATOM 71 CG ASP A 5 -1.751 -11.492 15.315 1.00 0.00 C ATOM 72 OD1 ASP A 5 -0.667 -11.982 15.587 1.00 0.00 O ATOM 73 OD2 ASP A 5 -2.364 -10.739 16.053 1.00 0.00 O ATOM 0 H ASP A 5 -3.167 -12.927 11.885 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.504 -12.712 13.262 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.399 -10.961 13.321 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.410 -12.162 14.100 1.00 0.00 H new ATOM 78 N GLY A 6 -2.086 -15.318 13.412 1.00 0.00 N ATOM 79 CA GLY A 6 -2.244 -16.629 14.101 1.00 0.00 C ATOM 80 C GLY A 6 -2.703 -17.678 13.086 1.00 0.00 C ATOM 81 O GLY A 6 -2.183 -17.764 11.991 1.00 0.00 O ATOM 0 H GLY A 6 -2.296 -15.327 12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.300 -16.932 14.553 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.971 -16.544 14.908 1.00 0.00 H new ATOM 85 N ASN A 7 -3.674 -18.474 13.438 1.00 0.00 N ATOM 86 CA ASN A 7 -4.166 -19.514 12.488 1.00 0.00 C ATOM 87 C ASN A 7 -5.239 -18.924 11.569 1.00 0.00 C ATOM 88 O ASN A 7 -5.852 -19.622 10.786 1.00 0.00 O ATOM 89 CB ASN A 7 -4.759 -20.611 13.372 1.00 0.00 C ATOM 90 CG ASN A 7 -3.659 -21.209 14.250 1.00 0.00 C ATOM 91 OD1 ASN A 7 -2.517 -21.294 13.840 1.00 0.00 O ATOM 92 ND2 ASN A 7 -3.954 -21.630 15.449 1.00 0.00 N ATOM 0 H ASN A 7 -4.148 -18.451 14.341 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.372 -19.895 11.845 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.554 -20.201 13.995 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.208 -21.388 12.754 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.227 -22.030 16.042 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.912 -21.559 15.793 1.00 0.00 H new ATOM 99 N PHE A 8 -5.468 -17.642 11.657 1.00 0.00 N ATOM 100 CA PHE A 8 -6.500 -17.005 10.788 1.00 0.00 C ATOM 101 C PHE A 8 -5.877 -15.859 9.984 1.00 0.00 C ATOM 102 O PHE A 8 -5.094 -15.082 10.496 1.00 0.00 O ATOM 103 CB PHE A 8 -7.554 -16.473 11.759 1.00 0.00 C ATOM 104 CG PHE A 8 -8.058 -17.601 12.626 1.00 0.00 C ATOM 105 CD1 PHE A 8 -7.412 -17.897 13.832 1.00 0.00 C ATOM 106 CD2 PHE A 8 -9.169 -18.352 12.225 1.00 0.00 C ATOM 107 CE1 PHE A 8 -7.877 -18.943 14.637 1.00 0.00 C ATOM 108 CE2 PHE A 8 -9.635 -19.398 13.030 1.00 0.00 C ATOM 109 CZ PHE A 8 -8.989 -19.694 14.236 1.00 0.00 C ATOM 0 H PHE A 8 -4.985 -17.007 12.293 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.926 -17.702 10.066 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.126 -15.686 12.380 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.381 -16.028 11.206 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.554 -17.318 14.141 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.667 -18.124 11.294 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.378 -19.171 15.567 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.493 -19.977 12.721 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.348 -20.501 14.857 1.00 0.00 H new ATOM 119 N SER A 9 -6.215 -15.749 8.727 1.00 0.00 N ATOM 120 CA SER A 9 -5.639 -14.657 7.889 1.00 0.00 C ATOM 121 C SER A 9 -6.395 -13.345 8.126 1.00 0.00 C ATOM 122 O SER A 9 -7.598 -13.273 7.968 1.00 0.00 O ATOM 123 CB SER A 9 -5.823 -15.129 6.447 1.00 0.00 C ATOM 124 OG SER A 9 -7.144 -14.838 6.017 1.00 0.00 O ATOM 0 H SER A 9 -6.866 -16.369 8.244 1.00 0.00 H new ATOM 0 HA SER A 9 -4.593 -14.464 8.127 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.101 -14.635 5.797 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.634 -16.200 6.377 1.00 0.00 H new ATOM 0 HG SER A 9 -7.682 -14.551 6.784 1.00 0.00 H new ATOM 130 N PHE A 10 -5.696 -12.308 8.501 1.00 0.00 N ATOM 131 CA PHE A 10 -6.369 -10.998 8.748 1.00 0.00 C ATOM 132 C PHE A 10 -5.913 -9.960 7.716 1.00 0.00 C ATOM 133 O PHE A 10 -4.734 -9.719 7.547 1.00 0.00 O ATOM 134 CB PHE A 10 -5.919 -10.577 10.149 1.00 0.00 C ATOM 135 CG PHE A 10 -6.332 -11.619 11.162 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.347 -12.535 10.858 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.698 -11.666 12.408 1.00 0.00 C ATOM 138 CE1 PHE A 10 -7.727 -13.496 11.802 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.077 -12.627 13.352 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.092 -13.542 13.049 1.00 0.00 C ATOM 0 H PHE A 10 -4.687 -12.310 8.647 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.453 -11.076 8.668 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.837 -10.449 10.169 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.359 -9.614 10.407 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.836 -12.500 9.896 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.915 -10.960 12.642 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.510 -14.202 11.568 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.587 -12.663 14.314 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.385 -14.284 13.777 1.00 0.00 H new ATOM 150 N SER A 11 -6.835 -9.344 7.028 1.00 0.00 N ATOM 151 CA SER A 11 -6.445 -8.321 6.013 1.00 0.00 C ATOM 152 C SER A 11 -5.987 -7.035 6.711 1.00 0.00 C ATOM 153 O SER A 11 -6.167 -6.866 7.901 1.00 0.00 O ATOM 154 CB SER A 11 -7.714 -8.067 5.197 1.00 0.00 C ATOM 155 OG SER A 11 -8.643 -7.334 5.984 1.00 0.00 O ATOM 0 H SER A 11 -7.838 -9.503 7.123 1.00 0.00 H new ATOM 0 HA SER A 11 -5.619 -8.654 5.385 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.472 -7.513 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.154 -9.014 4.884 1.00 0.00 H new ATOM 0 HG SER A 11 -9.456 -7.169 5.462 1.00 0.00 H new ATOM 161 N LEU A 12 -5.389 -6.131 5.981 1.00 0.00 N ATOM 162 CA LEU A 12 -4.914 -4.861 6.608 1.00 0.00 C ATOM 163 C LEU A 12 -5.972 -3.761 6.463 1.00 0.00 C ATOM 164 O LEU A 12 -5.969 -2.787 7.188 1.00 0.00 O ATOM 165 CB LEU A 12 -3.649 -4.486 5.834 1.00 0.00 C ATOM 166 CG LEU A 12 -2.598 -5.588 5.997 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.963 -6.779 5.111 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.227 -5.047 5.583 1.00 0.00 C ATOM 0 H LEU A 12 -5.209 -6.216 4.981 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.725 -4.979 7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.884 -4.348 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.255 -3.538 6.200 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.566 -5.908 7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.214 -7.562 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.940 -7.164 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.995 -6.461 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.477 -5.830 5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.261 -4.728 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.965 -4.198 6.214 1.00 0.00 H new ATOM 180 N GLU A 13 -6.867 -3.905 5.525 1.00 0.00 N ATOM 181 CA GLU A 13 -7.917 -2.862 5.327 1.00 0.00 C ATOM 182 C GLU A 13 -8.726 -2.654 6.612 1.00 0.00 C ATOM 183 O GLU A 13 -8.661 -1.611 7.232 1.00 0.00 O ATOM 184 CB GLU A 13 -8.810 -3.404 4.210 1.00 0.00 C ATOM 185 CG GLU A 13 -9.862 -2.354 3.847 1.00 0.00 C ATOM 186 CD GLU A 13 -10.761 -2.893 2.733 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.516 -4.002 2.286 1.00 0.00 O ATOM 188 OE2 GLU A 13 -11.677 -2.188 2.344 1.00 0.00 O ATOM 0 H GLU A 13 -6.918 -4.699 4.887 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.486 -1.894 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.208 -3.650 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.295 -4.325 4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.461 -2.106 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.376 -1.434 3.523 1.00 0.00 H new ATOM 195 N SER A 14 -9.491 -3.632 7.016 1.00 0.00 N ATOM 196 CA SER A 14 -10.305 -3.478 8.260 1.00 0.00 C ATOM 197 C SER A 14 -9.483 -2.786 9.351 1.00 0.00 C ATOM 198 O SER A 14 -9.937 -1.854 9.989 1.00 0.00 O ATOM 199 CB SER A 14 -10.658 -4.903 8.683 1.00 0.00 C ATOM 200 OG SER A 14 -11.153 -5.623 7.564 1.00 0.00 O ATOM 0 H SER A 14 -9.589 -4.529 6.541 1.00 0.00 H new ATOM 0 HA SER A 14 -11.193 -2.868 8.096 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.777 -5.401 9.088 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.406 -4.883 9.475 1.00 0.00 H new ATOM 0 HG SER A 14 -11.377 -6.537 7.836 1.00 0.00 H new ATOM 206 N VAL A 15 -8.275 -3.225 9.568 1.00 0.00 N ATOM 207 CA VAL A 15 -7.432 -2.584 10.613 1.00 0.00 C ATOM 208 C VAL A 15 -7.141 -1.134 10.223 1.00 0.00 C ATOM 209 O VAL A 15 -7.343 -0.223 11.001 1.00 0.00 O ATOM 210 CB VAL A 15 -6.152 -3.414 10.649 1.00 0.00 C ATOM 211 CG1 VAL A 15 -5.163 -2.784 11.630 1.00 0.00 C ATOM 212 CG2 VAL A 15 -6.494 -4.835 11.105 1.00 0.00 C ATOM 0 H VAL A 15 -7.836 -3.998 9.068 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.916 -2.556 11.589 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.702 -3.444 9.657 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.249 -3.377 11.656 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.929 -1.769 11.309 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.606 -2.756 12.626 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.585 -5.436 11.134 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.938 -4.801 12.100 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.202 -5.281 10.406 1.00 0.00 H new ATOM 222 N LYS A 16 -6.688 -0.909 9.020 1.00 0.00 N ATOM 223 CA LYS A 16 -6.414 0.490 8.589 1.00 0.00 C ATOM 224 C LYS A 16 -7.678 1.326 8.783 1.00 0.00 C ATOM 225 O LYS A 16 -7.652 2.389 9.370 1.00 0.00 O ATOM 226 CB LYS A 16 -6.052 0.388 7.107 1.00 0.00 C ATOM 227 CG LYS A 16 -6.049 1.787 6.482 1.00 0.00 C ATOM 228 CD LYS A 16 -4.782 2.534 6.907 1.00 0.00 C ATOM 229 CE LYS A 16 -4.767 3.926 6.267 1.00 0.00 C ATOM 230 NZ LYS A 16 -5.124 4.864 7.370 1.00 0.00 N ATOM 0 H LYS A 16 -6.497 -1.628 8.322 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.615 0.963 9.159 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.072 -0.075 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.768 -0.251 6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.092 1.711 5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.933 2.340 6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.746 2.622 7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.898 1.973 6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.786 4.159 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.482 3.991 5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.028 5.329 7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.214 4.334 8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.379 5.583 7.469 1.00 0.00 H new ATOM 244 N LYS A 17 -8.791 0.841 8.302 1.00 0.00 N ATOM 245 CA LYS A 17 -10.069 1.589 8.466 1.00 0.00 C ATOM 246 C LYS A 17 -10.638 1.351 9.865 1.00 0.00 C ATOM 247 O LYS A 17 -11.717 1.803 10.192 1.00 0.00 O ATOM 248 CB LYS A 17 -11.008 1.010 7.409 1.00 0.00 C ATOM 249 CG LYS A 17 -10.430 1.261 6.015 1.00 0.00 C ATOM 250 CD LYS A 17 -11.419 0.761 4.960 1.00 0.00 C ATOM 251 CE LYS A 17 -10.795 0.902 3.571 1.00 0.00 C ATOM 252 NZ LYS A 17 -11.840 1.577 2.751 1.00 0.00 N ATOM 0 H LYS A 17 -8.869 -0.044 7.801 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.935 2.664 8.349 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.139 -0.060 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.993 1.469 7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.238 2.325 5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.475 0.747 5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.676 -0.281 5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.345 1.333 5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.879 1.491 3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.532 -0.071 3.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.488 1.710 1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.698 0.990 2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.064 2.503 3.168 1.00 0.00 H new ATOM 266 N LEU A 18 -9.920 0.645 10.697 1.00 0.00 N ATOM 267 CA LEU A 18 -10.416 0.376 12.075 1.00 0.00 C ATOM 268 C LEU A 18 -10.519 1.681 12.871 1.00 0.00 C ATOM 269 O LEU A 18 -11.426 1.869 13.659 1.00 0.00 O ATOM 270 CB LEU A 18 -9.355 -0.544 12.680 1.00 0.00 C ATOM 271 CG LEU A 18 -9.807 -1.041 14.052 1.00 0.00 C ATOM 272 CD1 LEU A 18 -11.279 -1.454 13.991 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.952 -2.246 14.456 1.00 0.00 C ATOM 0 H LEU A 18 -9.008 0.242 10.479 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.410 -0.070 12.086 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.178 -1.392 12.018 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.410 -0.009 12.772 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.689 -0.244 14.787 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.598 -1.808 14.971 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.886 -0.597 13.699 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.403 -2.252 13.259 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.270 -2.606 15.435 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.073 -3.041 13.720 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.904 -1.950 14.501 1.00 0.00 H new ATOM 285 N LYS A 19 -9.597 2.585 12.673 1.00 0.00 N ATOM 286 CA LYS A 19 -9.647 3.874 13.422 1.00 0.00 C ATOM 287 C LYS A 19 -10.973 4.590 13.151 1.00 0.00 C ATOM 288 O LYS A 19 -11.549 5.204 14.027 1.00 0.00 O ATOM 289 CB LYS A 19 -8.475 4.695 12.882 1.00 0.00 C ATOM 290 CG LYS A 19 -8.380 6.014 13.652 1.00 0.00 C ATOM 291 CD LYS A 19 -7.144 6.789 13.192 1.00 0.00 C ATOM 292 CE LYS A 19 -7.312 7.193 11.725 1.00 0.00 C ATOM 293 NZ LYS A 19 -6.458 6.236 10.968 1.00 0.00 N ATOM 0 H LYS A 19 -8.814 2.487 12.027 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.578 3.728 14.500 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.546 4.134 12.984 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.614 4.891 11.819 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.278 6.609 13.486 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.321 5.818 14.723 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.006 7.676 13.811 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.251 6.175 13.311 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.354 7.126 11.413 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.995 8.223 11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.905 6.753 10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.812 5.753 11.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.060 5.532 10.495 1.00 0.00 H new ATOM 307 N ASP A 20 -11.461 4.512 11.943 1.00 0.00 N ATOM 308 CA ASP A 20 -12.750 5.186 11.615 1.00 0.00 C ATOM 309 C ASP A 20 -13.672 4.222 10.862 1.00 0.00 C ATOM 310 O ASP A 20 -13.299 3.648 9.858 1.00 0.00 O ATOM 311 CB ASP A 20 -12.365 6.367 10.724 1.00 0.00 C ATOM 312 CG ASP A 20 -11.480 5.875 9.577 1.00 0.00 C ATOM 313 OD1 ASP A 20 -11.178 4.693 9.551 1.00 0.00 O ATOM 314 OD2 ASP A 20 -11.120 6.689 8.742 1.00 0.00 O ATOM 0 H ASP A 20 -11.024 4.011 11.170 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.287 5.508 12.507 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.261 6.844 10.327 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.836 7.120 11.308 1.00 0.00 H new ATOM 319 N LEU A 21 -14.874 4.043 11.338 1.00 0.00 N ATOM 320 CA LEU A 21 -15.819 3.120 10.647 1.00 0.00 C ATOM 321 C LEU A 21 -16.594 3.873 9.563 1.00 0.00 C ATOM 322 O LEU A 21 -17.228 4.876 9.826 1.00 0.00 O ATOM 323 CB LEU A 21 -16.766 2.630 11.743 1.00 0.00 C ATOM 324 CG LEU A 21 -16.195 1.364 12.384 1.00 0.00 C ATOM 325 CD1 LEU A 21 -17.199 0.808 13.396 1.00 0.00 C ATOM 326 CD2 LEU A 21 -15.931 0.317 11.300 1.00 0.00 C ATOM 0 H LEU A 21 -15.242 4.495 12.175 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.306 2.294 10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.897 3.405 12.498 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.750 2.425 11.322 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.261 1.604 12.892 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.793 -0.094 13.853 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -17.387 1.553 14.169 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -18.133 0.568 12.888 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.524 -0.585 11.757 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.865 0.077 10.791 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.216 0.713 10.579 1.00 0.00 H new ATOM 338 N GLN A 22 -16.548 3.402 8.348 1.00 0.00 N ATOM 339 CA GLN A 22 -17.283 4.097 7.252 1.00 0.00 C ATOM 340 C GLN A 22 -17.814 3.080 6.238 1.00 0.00 C ATOM 341 O GLN A 22 -17.546 3.168 5.056 1.00 0.00 O ATOM 342 CB GLN A 22 -16.247 5.014 6.601 1.00 0.00 C ATOM 343 CG GLN A 22 -15.755 6.036 7.628 1.00 0.00 C ATOM 344 CD GLN A 22 -14.708 6.946 6.983 1.00 0.00 C ATOM 345 OE1 GLN A 22 -14.263 6.693 5.880 1.00 0.00 O ATOM 346 NE2 GLN A 22 -14.293 8.001 7.627 1.00 0.00 N ATOM 0 H GLN A 22 -16.034 2.567 8.066 1.00 0.00 H new ATOM 0 HA GLN A 22 -18.145 4.652 7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -15.409 4.426 6.227 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.685 5.525 5.744 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -16.592 6.630 7.995 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.326 5.524 8.489 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.666 8.213 8.552 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.595 8.614 7.206 1.00 0.00 H new ATOM 355 N GLU A 23 -18.570 2.118 6.690 1.00 0.00 N ATOM 356 CA GLU A 23 -19.123 1.097 5.753 1.00 0.00 C ATOM 357 C GLU A 23 -17.995 0.443 4.947 1.00 0.00 C ATOM 358 O GLU A 23 -17.951 0.558 3.738 1.00 0.00 O ATOM 359 CB GLU A 23 -20.058 1.876 4.829 1.00 0.00 C ATOM 360 CG GLU A 23 -21.465 1.895 5.427 1.00 0.00 C ATOM 361 CD GLU A 23 -21.815 3.320 5.862 1.00 0.00 C ATOM 362 OE1 GLU A 23 -21.251 3.775 6.843 1.00 0.00 O ATOM 363 OE2 GLU A 23 -22.643 3.933 5.206 1.00 0.00 O ATOM 0 H GLU A 23 -18.830 1.994 7.669 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.640 0.294 6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.693 2.895 4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -20.077 1.416 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -22.188 1.539 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -21.518 1.219 6.281 1.00 0.00 H new ATOM 370 N PRO A 24 -17.118 -0.227 5.648 1.00 0.00 N ATOM 371 CA PRO A 24 -15.977 -0.914 4.999 1.00 0.00 C ATOM 372 C PRO A 24 -16.479 -2.010 4.052 1.00 0.00 C ATOM 373 O PRO A 24 -16.190 -3.177 4.229 1.00 0.00 O ATOM 374 CB PRO A 24 -15.229 -1.521 6.190 1.00 0.00 C ATOM 375 CG PRO A 24 -15.981 -1.156 7.486 1.00 0.00 C ATOM 376 CD PRO A 24 -17.223 -0.330 7.121 1.00 0.00 C ATOM 0 HA PRO A 24 -15.357 -0.255 4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.164 -2.604 6.083 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.207 -1.143 6.227 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.273 -2.060 8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.332 -0.587 8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.144 -0.825 7.428 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.213 0.650 7.598 1.00 0.00 H new ATOM 384 N GLN A 25 -17.229 -1.644 3.048 1.00 0.00 N ATOM 385 CA GLN A 25 -17.748 -2.666 2.094 1.00 0.00 C ATOM 386 C GLN A 25 -16.588 -3.338 1.353 1.00 0.00 C ATOM 387 O GLN A 25 -16.730 -4.411 0.801 1.00 0.00 O ATOM 388 CB GLN A 25 -18.629 -1.885 1.119 1.00 0.00 C ATOM 389 CG GLN A 25 -19.822 -1.292 1.871 1.00 0.00 C ATOM 390 CD GLN A 25 -20.655 -0.437 0.914 1.00 0.00 C ATOM 391 OE1 GLN A 25 -20.190 -0.060 -0.143 1.00 0.00 O ATOM 392 NE2 GLN A 25 -21.875 -0.112 1.242 1.00 0.00 N ATOM 0 H GLN A 25 -17.505 -0.683 2.847 1.00 0.00 H new ATOM 0 HA GLN A 25 -18.301 -3.458 2.598 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.051 -1.090 0.647 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.978 -2.541 0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -20.435 -2.090 2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.473 -0.686 2.707 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -22.266 -0.428 2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.438 0.458 0.611 1.00 0.00 H new ATOM 401 N GLU A 26 -15.444 -2.712 1.334 1.00 0.00 N ATOM 402 CA GLU A 26 -14.276 -3.312 0.627 1.00 0.00 C ATOM 403 C GLU A 26 -14.530 -3.351 -0.884 1.00 0.00 C ATOM 404 O GLU A 26 -14.431 -4.395 -1.499 1.00 0.00 O ATOM 405 CB GLU A 26 -14.162 -4.731 1.187 1.00 0.00 C ATOM 406 CG GLU A 26 -12.689 -5.068 1.426 1.00 0.00 C ATOM 407 CD GLU A 26 -12.441 -6.539 1.085 1.00 0.00 C ATOM 408 OE1 GLU A 26 -12.981 -7.386 1.777 1.00 0.00 O ATOM 409 OE2 GLU A 26 -11.713 -6.792 0.140 1.00 0.00 O ATOM 0 H GLU A 26 -15.267 -1.811 1.777 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.363 -2.737 0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.720 -4.811 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.601 -5.445 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.054 -4.429 0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.425 -4.875 2.466 1.00 0.00 H new ATOM 416 N PRO A 27 -14.847 -2.208 -1.437 1.00 0.00 N ATOM 417 CA PRO A 27 -15.115 -2.109 -2.892 1.00 0.00 C ATOM 418 C PRO A 27 -13.872 -2.507 -3.691 1.00 0.00 C ATOM 419 O PRO A 27 -12.755 -2.365 -3.233 1.00 0.00 O ATOM 420 CB PRO A 27 -15.430 -0.621 -3.074 1.00 0.00 C ATOM 421 CG PRO A 27 -15.327 0.079 -1.706 1.00 0.00 C ATOM 422 CD PRO A 27 -14.955 -0.962 -0.642 1.00 0.00 C ATOM 0 HA PRO A 27 -15.915 -2.764 -3.238 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.733 -0.171 -3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -16.430 -0.495 -3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.575 0.867 -1.742 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -16.275 0.554 -1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.017 -0.716 -0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.717 -1.040 0.133 1.00 0.00 H new ATOM 430 N ARG A 28 -14.055 -3.004 -4.884 1.00 0.00 N ATOM 431 CA ARG A 28 -12.879 -3.408 -5.709 1.00 0.00 C ATOM 432 C ARG A 28 -12.012 -2.186 -6.021 1.00 0.00 C ATOM 433 O ARG A 28 -12.328 -1.395 -6.889 1.00 0.00 O ATOM 434 CB ARG A 28 -13.472 -3.989 -6.992 1.00 0.00 C ATOM 435 CG ARG A 28 -12.346 -4.546 -7.864 1.00 0.00 C ATOM 436 CD ARG A 28 -12.926 -5.060 -9.182 1.00 0.00 C ATOM 437 NE ARG A 28 -11.770 -5.676 -9.892 1.00 0.00 N ATOM 438 CZ ARG A 28 -11.225 -5.061 -10.905 1.00 0.00 C ATOM 439 NH1 ARG A 28 -11.979 -4.485 -11.801 1.00 0.00 N ATOM 440 NH2 ARG A 28 -9.926 -5.023 -11.023 1.00 0.00 N ATOM 0 H ARG A 28 -14.965 -3.148 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.242 -4.128 -5.196 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.185 -4.778 -6.752 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.020 -3.218 -7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.605 -3.770 -8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.833 -5.353 -7.341 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.718 -5.789 -9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.362 -4.249 -9.765 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.405 -6.578 -9.586 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.994 -4.516 -11.709 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.553 -4.004 -12.593 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.337 -5.474 -10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.500 -4.542 -11.815 1.00 0.00 H new ATOM 454 N VAL A 29 -10.924 -2.025 -5.322 1.00 0.00 N ATOM 455 CA VAL A 29 -10.037 -0.854 -5.580 1.00 0.00 C ATOM 456 C VAL A 29 -8.619 -1.325 -5.912 1.00 0.00 C ATOM 457 O VAL A 29 -8.118 -2.270 -5.336 1.00 0.00 O ATOM 458 CB VAL A 29 -10.047 -0.055 -4.277 1.00 0.00 C ATOM 459 CG1 VAL A 29 -9.397 -0.881 -3.166 1.00 0.00 C ATOM 460 CG2 VAL A 29 -9.262 1.244 -4.471 1.00 0.00 C ATOM 0 H VAL A 29 -10.609 -2.653 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.377 -0.257 -6.426 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.076 0.178 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.404 -0.311 -2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.955 -1.807 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.368 -1.114 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.268 1.815 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.234 1.010 -4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.724 1.834 -5.263 1.00 0.00 H new ATOM 470 N GLY A 30 -7.969 -0.674 -6.837 1.00 0.00 N ATOM 471 CA GLY A 30 -6.584 -1.085 -7.204 1.00 0.00 C ATOM 472 C GLY A 30 -5.577 -0.258 -6.402 1.00 0.00 C ATOM 473 O GLY A 30 -4.380 -0.385 -6.574 1.00 0.00 O ATOM 0 H GLY A 30 -8.337 0.124 -7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.442 -2.147 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.421 -0.940 -8.272 1.00 0.00 H new ATOM 477 N LYS A 31 -6.048 0.587 -5.527 1.00 0.00 N ATOM 478 CA LYS A 31 -5.115 1.421 -4.715 1.00 0.00 C ATOM 479 C LYS A 31 -4.571 0.609 -3.536 1.00 0.00 C ATOM 480 O LYS A 31 -5.245 -0.243 -2.994 1.00 0.00 O ATOM 481 CB LYS A 31 -5.961 2.591 -4.213 1.00 0.00 C ATOM 482 CG LYS A 31 -6.462 3.410 -5.404 1.00 0.00 C ATOM 483 CD LYS A 31 -7.212 4.641 -4.892 1.00 0.00 C ATOM 484 CE LYS A 31 -7.754 5.441 -6.079 1.00 0.00 C ATOM 485 NZ LYS A 31 -7.241 6.824 -5.870 1.00 0.00 N ATOM 0 H LYS A 31 -7.039 0.737 -5.338 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.255 1.759 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.806 2.220 -3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.370 3.221 -3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.623 3.715 -6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.119 2.803 -6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.032 4.336 -4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.546 5.263 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.406 5.029 -7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.844 5.423 -6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.569 7.437 -6.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.594 7.192 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.201 6.810 -5.857 1.00 0.00 H new ATOM 499 N LEU A 32 -3.357 0.870 -3.132 1.00 0.00 N ATOM 500 CA LEU A 32 -2.774 0.114 -1.986 1.00 0.00 C ATOM 501 C LEU A 32 -2.882 0.939 -0.701 1.00 0.00 C ATOM 502 O LEU A 32 -2.402 2.053 -0.625 1.00 0.00 O ATOM 503 CB LEU A 32 -1.309 -0.108 -2.363 1.00 0.00 C ATOM 504 CG LEU A 32 -0.663 -1.060 -1.354 1.00 0.00 C ATOM 505 CD1 LEU A 32 -1.228 -2.468 -1.548 1.00 0.00 C ATOM 506 CD2 LEU A 32 0.852 -1.084 -1.572 1.00 0.00 C ATOM 0 H LEU A 32 -2.744 1.573 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.293 -0.827 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.240 -0.524 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.777 0.843 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.879 -0.718 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.768 -3.147 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.307 -2.452 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.012 -2.810 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.312 -1.762 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.069 -1.426 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.255 -0.081 -1.434 1.00 0.00 H new ATOM 518 N ARG A 33 -3.508 0.402 0.310 1.00 0.00 N ATOM 519 CA ARG A 33 -3.646 1.157 1.589 1.00 0.00 C ATOM 520 C ARG A 33 -2.289 1.277 2.286 1.00 0.00 C ATOM 521 O ARG A 33 -1.532 0.328 2.361 1.00 0.00 O ATOM 522 CB ARG A 33 -4.611 0.328 2.438 1.00 0.00 C ATOM 523 CG ARG A 33 -5.979 0.285 1.756 1.00 0.00 C ATOM 524 CD ARG A 33 -6.984 -0.414 2.672 1.00 0.00 C ATOM 525 NE ARG A 33 -8.223 -0.541 1.853 1.00 0.00 N ATOM 526 CZ ARG A 33 -8.702 0.501 1.231 1.00 0.00 C ATOM 527 NH1 ARG A 33 -8.683 1.671 1.806 1.00 0.00 N ATOM 528 NH2 ARG A 33 -9.196 0.373 0.030 1.00 0.00 N ATOM 0 H ARG A 33 -3.930 -0.527 0.306 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.010 2.172 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.224 -0.683 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.702 0.762 3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.317 1.297 1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.907 -0.245 0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.618 -1.390 2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.166 0.167 3.576 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.696 -1.442 1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.293 1.772 2.743 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.058 2.485 1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.208 -0.541 -0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.571 1.187 -0.457 1.00 0.00 H new ATOM 542 N ASN A 34 -1.977 2.434 2.800 1.00 0.00 N ATOM 543 CA ASN A 34 -0.670 2.612 3.495 1.00 0.00 C ATOM 544 C ASN A 34 -0.615 3.981 4.178 1.00 0.00 C ATOM 545 O ASN A 34 0.434 4.581 4.305 1.00 0.00 O ATOM 546 CB ASN A 34 0.387 2.515 2.395 1.00 0.00 C ATOM 547 CG ASN A 34 1.775 2.412 3.032 1.00 0.00 C ATOM 548 OD1 ASN A 34 1.947 2.725 4.192 1.00 0.00 O ATOM 549 ND2 ASN A 34 2.778 1.980 2.317 1.00 0.00 N ATOM 0 H ASN A 34 -2.569 3.264 2.769 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.513 1.864 4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.197 1.644 1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.336 3.391 1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.706 1.905 2.733 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.633 1.717 1.342 1.00 0.00 H new ATOM 556 N PHE A 35 -1.738 4.478 4.618 1.00 0.00 N ATOM 557 CA PHE A 35 -1.752 5.806 5.293 1.00 0.00 C ATOM 558 C PHE A 35 -2.039 5.635 6.788 1.00 0.00 C ATOM 559 O PHE A 35 -2.232 6.594 7.509 1.00 0.00 O ATOM 560 CB PHE A 35 -2.880 6.583 4.613 1.00 0.00 C ATOM 561 CG PHE A 35 -2.943 7.980 5.180 1.00 0.00 C ATOM 562 CD1 PHE A 35 -2.189 9.006 4.599 1.00 0.00 C ATOM 563 CD2 PHE A 35 -3.758 8.249 6.286 1.00 0.00 C ATOM 564 CE1 PHE A 35 -2.249 10.302 5.125 1.00 0.00 C ATOM 565 CE2 PHE A 35 -3.818 9.544 6.812 1.00 0.00 C ATOM 566 CZ PHE A 35 -3.064 10.571 6.232 1.00 0.00 C ATOM 0 H PHE A 35 -2.647 4.022 4.539 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.796 6.323 5.211 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.711 6.623 3.537 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.831 6.073 4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.561 8.798 3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.340 7.457 6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.667 11.094 4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.446 9.751 7.666 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.111 11.571 6.638 1.00 0.00 H new ATOM 576 N ALA A 36 -2.072 4.418 7.259 1.00 0.00 N ATOM 577 CA ALA A 36 -2.350 4.182 8.705 1.00 0.00 C ATOM 578 C ALA A 36 -1.309 4.903 9.572 1.00 0.00 C ATOM 579 O ALA A 36 -0.124 4.671 9.434 1.00 0.00 O ATOM 580 CB ALA A 36 -2.241 2.669 8.887 1.00 0.00 C ATOM 0 H ALA A 36 -1.918 3.576 6.704 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.328 4.560 9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.433 2.413 9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.973 2.172 8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.239 2.341 8.611 1.00 0.00 H new ATOM 586 N PRO A 37 -1.787 5.754 10.444 1.00 0.00 N ATOM 587 CA PRO A 37 -0.889 6.514 11.346 1.00 0.00 C ATOM 588 C PRO A 37 -0.104 5.559 12.254 1.00 0.00 C ATOM 589 O PRO A 37 0.281 4.480 11.849 1.00 0.00 O ATOM 590 CB PRO A 37 -1.871 7.366 12.157 1.00 0.00 C ATOM 591 CG PRO A 37 -3.305 7.060 11.682 1.00 0.00 C ATOM 592 CD PRO A 37 -3.242 6.002 10.573 1.00 0.00 C ATOM 0 HA PRO A 37 -0.138 7.106 10.822 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.771 7.148 13.220 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.648 8.425 12.027 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.910 6.699 12.514 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.782 7.967 11.312 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.785 5.097 10.845 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.675 6.365 9.641 1.00 0.00 H new ATOM 600 N ILE A 38 0.132 5.946 13.478 1.00 0.00 N ATOM 601 CA ILE A 38 0.887 5.058 14.410 1.00 0.00 C ATOM 602 C ILE A 38 -0.056 4.496 15.478 1.00 0.00 C ATOM 603 O ILE A 38 -1.157 4.979 15.646 1.00 0.00 O ATOM 604 CB ILE A 38 1.956 5.950 15.049 1.00 0.00 C ATOM 605 CG1 ILE A 38 1.360 7.325 15.377 1.00 0.00 C ATOM 606 CG2 ILE A 38 3.132 6.110 14.083 1.00 0.00 C ATOM 607 CD1 ILE A 38 1.508 8.261 14.174 1.00 0.00 C ATOM 0 H ILE A 38 -0.165 6.838 13.874 1.00 0.00 H new ATOM 0 HA ILE A 38 1.332 4.207 13.895 1.00 0.00 H new ATOM 0 HB ILE A 38 2.307 5.487 15.971 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.307 7.221 15.640 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.864 7.752 16.244 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.893 6.745 14.538 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.559 5.131 13.865 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.783 6.568 13.158 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.082 9.235 14.416 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.564 8.377 13.931 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.983 7.838 13.317 1.00 0.00 H new ATOM 619 N PRO A 39 0.409 3.487 16.168 1.00 0.00 N ATOM 620 CA PRO A 39 -0.402 2.850 17.231 1.00 0.00 C ATOM 621 C PRO A 39 -0.761 3.868 18.317 1.00 0.00 C ATOM 622 O PRO A 39 -0.112 4.884 18.471 1.00 0.00 O ATOM 623 CB PRO A 39 0.540 1.771 17.771 1.00 0.00 C ATOM 624 CG PRO A 39 1.866 1.832 16.986 1.00 0.00 C ATOM 625 CD PRO A 39 1.763 2.936 15.924 1.00 0.00 C ATOM 0 HA PRO A 39 -1.353 2.451 16.878 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.723 1.927 18.834 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.085 0.786 17.667 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.696 2.036 17.663 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.069 0.871 16.513 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.538 3.693 16.048 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.864 2.539 14.914 1.00 0.00 H new ATOM 633 N GLY A 40 -1.793 3.603 19.071 1.00 0.00 N ATOM 634 CA GLY A 40 -2.196 4.555 20.145 1.00 0.00 C ATOM 635 C GLY A 40 -3.717 4.523 20.321 1.00 0.00 C ATOM 636 O GLY A 40 -4.309 5.448 20.841 1.00 0.00 O ATOM 0 H GLY A 40 -2.374 2.769 18.990 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.706 4.289 21.082 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.871 5.564 19.890 1.00 0.00 H new ATOM 640 N GLU A 41 -4.357 3.466 19.896 1.00 0.00 N ATOM 641 CA GLU A 41 -5.837 3.379 20.045 1.00 0.00 C ATOM 642 C GLU A 41 -6.229 1.997 20.578 1.00 0.00 C ATOM 643 O GLU A 41 -6.480 1.087 19.814 1.00 0.00 O ATOM 644 CB GLU A 41 -6.392 3.587 18.634 1.00 0.00 C ATOM 645 CG GLU A 41 -7.919 3.502 18.669 1.00 0.00 C ATOM 646 CD GLU A 41 -8.515 4.798 18.117 1.00 0.00 C ATOM 647 OE1 GLU A 41 -8.404 5.810 18.787 1.00 0.00 O ATOM 648 OE2 GLU A 41 -9.072 4.755 17.032 1.00 0.00 O ATOM 0 H GLU A 41 -3.918 2.660 19.452 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.227 4.116 20.747 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.080 4.558 18.248 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.990 2.832 17.959 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.260 2.652 18.078 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.261 3.338 19.691 1.00 0.00 H new ATOM 655 N PRO A 42 -6.258 1.886 21.881 1.00 0.00 N ATOM 656 CA PRO A 42 -6.613 0.605 22.534 1.00 0.00 C ATOM 657 C PRO A 42 -8.026 0.169 22.138 1.00 0.00 C ATOM 658 O PRO A 42 -8.929 0.976 22.036 1.00 0.00 O ATOM 659 CB PRO A 42 -6.539 0.956 24.023 1.00 0.00 C ATOM 660 CG PRO A 42 -6.139 2.439 24.163 1.00 0.00 C ATOM 661 CD PRO A 42 -5.945 3.035 22.762 1.00 0.00 C ATOM 0 HA PRO A 42 -5.963 -0.224 22.255 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.502 0.778 24.501 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.811 0.319 24.525 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.910 2.988 24.703 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.220 2.529 24.742 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.613 3.878 22.583 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.928 3.397 22.612 1.00 0.00 H new ATOM 669 N VAL A 43 -8.223 -1.101 21.914 1.00 0.00 N ATOM 670 CA VAL A 43 -9.577 -1.587 21.526 1.00 0.00 C ATOM 671 C VAL A 43 -9.974 -2.793 22.382 1.00 0.00 C ATOM 672 O VAL A 43 -9.165 -3.352 23.095 1.00 0.00 O ATOM 673 CB VAL A 43 -9.447 -1.993 20.058 1.00 0.00 C ATOM 674 CG1 VAL A 43 -8.897 -0.816 19.248 1.00 0.00 C ATOM 675 CG2 VAL A 43 -8.491 -3.184 19.941 1.00 0.00 C ATOM 0 H VAL A 43 -7.505 -1.823 21.983 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.345 -0.827 21.673 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.427 -2.273 19.671 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.805 -1.106 18.201 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.577 0.032 19.331 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.917 -0.535 19.634 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.398 -3.474 18.895 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.512 -2.904 20.329 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.883 -4.023 20.517 1.00 0.00 H new ATOM 685 N VAL A 44 -11.213 -3.194 22.314 1.00 0.00 N ATOM 686 CA VAL A 44 -11.671 -4.364 23.117 1.00 0.00 C ATOM 687 C VAL A 44 -11.634 -4.039 24.615 1.00 0.00 C ATOM 688 O VAL A 44 -11.008 -4.743 25.383 1.00 0.00 O ATOM 689 CB VAL A 44 -10.684 -5.488 22.792 1.00 0.00 C ATOM 690 CG1 VAL A 44 -11.252 -6.820 23.287 1.00 0.00 C ATOM 691 CG2 VAL A 44 -10.467 -5.560 21.279 1.00 0.00 C ATOM 0 H VAL A 44 -11.932 -2.760 21.734 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.698 -4.640 22.879 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.733 -5.289 23.285 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.551 -7.622 23.057 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.407 -6.771 24.365 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.203 -7.016 22.792 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.764 -6.361 21.050 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.418 -5.759 20.784 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.065 -4.611 20.924 1.00 0.00 H new ATOM 701 N PRO A 45 -12.318 -2.988 24.985 1.00 0.00 N ATOM 702 CA PRO A 45 -12.374 -2.577 26.409 1.00 0.00 C ATOM 703 C PRO A 45 -13.002 -3.692 27.247 1.00 0.00 C ATOM 704 O PRO A 45 -12.511 -4.049 28.300 1.00 0.00 O ATOM 705 CB PRO A 45 -13.278 -1.342 26.366 1.00 0.00 C ATOM 706 CG PRO A 45 -13.711 -1.095 24.906 1.00 0.00 C ATOM 707 CD PRO A 45 -13.067 -2.161 24.010 1.00 0.00 C ATOM 0 HA PRO A 45 -11.400 -2.375 26.854 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.153 -1.492 26.999 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.748 -0.472 26.755 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.797 -1.138 24.822 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.406 -0.099 24.586 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.814 -2.745 23.472 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.409 -1.719 23.262 1.00 0.00 H new ATOM 715 N ILE A 46 -14.084 -4.250 26.776 1.00 0.00 N ATOM 716 CA ILE A 46 -14.754 -5.351 27.523 1.00 0.00 C ATOM 717 C ILE A 46 -15.390 -6.327 26.530 1.00 0.00 C ATOM 718 O ILE A 46 -15.352 -7.527 26.708 1.00 0.00 O ATOM 719 CB ILE A 46 -15.829 -4.667 28.370 1.00 0.00 C ATOM 720 CG1 ILE A 46 -15.166 -3.696 29.349 1.00 0.00 C ATOM 721 CG2 ILE A 46 -16.611 -5.725 29.152 1.00 0.00 C ATOM 722 CD1 ILE A 46 -16.241 -3.001 30.187 1.00 0.00 C ATOM 0 H ILE A 46 -14.535 -3.988 25.900 1.00 0.00 H new ATOM 0 HA ILE A 46 -14.061 -5.920 28.142 1.00 0.00 H new ATOM 0 HB ILE A 46 -16.510 -4.118 27.719 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.475 -4.233 29.998 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -14.581 -2.956 28.803 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -17.377 -5.239 29.756 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -17.083 -6.417 28.455 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -15.930 -6.274 29.803 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.768 -2.309 30.884 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -16.915 -2.450 29.530 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -16.807 -3.747 30.744 1.00 0.00 H new ATOM 734 N LEU A 47 -15.967 -5.812 25.480 1.00 0.00 N ATOM 735 CA LEU A 47 -16.602 -6.694 24.460 1.00 0.00 C ATOM 736 C LEU A 47 -16.389 -6.102 23.063 1.00 0.00 C ATOM 737 O LEU A 47 -17.275 -5.496 22.494 1.00 0.00 O ATOM 738 CB LEU A 47 -18.088 -6.713 24.816 1.00 0.00 C ATOM 739 CG LEU A 47 -18.257 -7.142 26.276 1.00 0.00 C ATOM 740 CD1 LEU A 47 -19.741 -7.111 26.648 1.00 0.00 C ATOM 741 CD2 LEU A 47 -17.717 -8.562 26.458 1.00 0.00 C ATOM 0 H LEU A 47 -16.026 -4.813 25.283 1.00 0.00 H new ATOM 0 HA LEU A 47 -16.178 -7.698 24.454 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -18.522 -5.725 24.663 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -18.622 -7.400 24.160 1.00 0.00 H new ATOM 0 HG LEU A 47 -17.705 -6.458 26.921 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -19.862 -7.416 27.687 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -20.127 -6.100 26.520 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -20.292 -7.795 26.002 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -17.838 -8.867 27.498 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -18.268 -9.246 25.813 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -16.660 -8.586 26.193 1.00 0.00 H new ATOM 753 N CYS A 48 -15.220 -6.277 22.509 1.00 0.00 N ATOM 754 CA CYS A 48 -14.943 -5.728 21.149 1.00 0.00 C ATOM 755 C CYS A 48 -15.200 -4.217 21.118 1.00 0.00 C ATOM 756 O CYS A 48 -16.100 -3.714 21.759 1.00 0.00 O ATOM 757 CB CYS A 48 -15.916 -6.458 20.222 1.00 0.00 C ATOM 758 SG CYS A 48 -15.426 -8.196 20.087 1.00 0.00 S ATOM 0 H CYS A 48 -14.443 -6.777 22.940 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.905 -5.875 20.850 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.932 -6.384 20.611 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.917 -5.991 19.237 1.00 0.00 H new ATOM 763 N SER A 49 -14.412 -3.489 20.373 1.00 0.00 N ATOM 764 CA SER A 49 -14.611 -2.014 20.297 1.00 0.00 C ATOM 765 C SER A 49 -15.394 -1.654 19.034 1.00 0.00 C ATOM 766 O SER A 49 -16.553 -1.297 19.090 1.00 0.00 O ATOM 767 CB SER A 49 -13.201 -1.424 20.241 1.00 0.00 C ATOM 768 OG SER A 49 -12.902 -0.792 21.476 1.00 0.00 O ATOM 0 H SER A 49 -13.640 -3.852 19.814 1.00 0.00 H new ATOM 0 HA SER A 49 -15.178 -1.629 21.144 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.474 -2.210 20.038 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.129 -0.705 19.425 1.00 0.00 H new ATOM 0 HG SER A 49 -12.414 0.041 21.307 1.00 0.00 H new ATOM 774 N ASN A 50 -14.767 -1.751 17.897 1.00 0.00 N ATOM 775 CA ASN A 50 -15.470 -1.421 16.623 1.00 0.00 C ATOM 776 C ASN A 50 -16.409 -2.567 16.230 1.00 0.00 C ATOM 777 O ASN A 50 -15.960 -3.652 15.918 1.00 0.00 O ATOM 778 CB ASN A 50 -14.356 -1.266 15.586 1.00 0.00 C ATOM 779 CG ASN A 50 -14.023 0.217 15.409 1.00 0.00 C ATOM 780 OD1 ASN A 50 -12.868 0.590 15.355 1.00 0.00 O ATOM 781 ND2 ASN A 50 -14.994 1.085 15.313 1.00 0.00 N ATOM 0 H ASN A 50 -13.796 -2.045 17.792 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.079 -0.521 16.706 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.469 -1.813 15.906 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.669 -1.695 14.634 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.783 2.076 15.193 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.964 0.772 15.358 1.00 0.00 H new ATOM 788 N PRO A 51 -17.688 -2.292 16.258 1.00 0.00 N ATOM 789 CA PRO A 51 -18.697 -3.316 15.903 1.00 0.00 C ATOM 790 C PRO A 51 -18.513 -3.777 14.454 1.00 0.00 C ATOM 791 O PRO A 51 -19.105 -4.746 14.021 1.00 0.00 O ATOM 792 CB PRO A 51 -20.018 -2.563 16.077 1.00 0.00 C ATOM 793 CG PRO A 51 -19.711 -1.122 16.531 1.00 0.00 C ATOM 794 CD PRO A 51 -18.190 -0.952 16.642 1.00 0.00 C ATOM 0 HA PRO A 51 -18.634 -4.219 16.510 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.573 -2.553 15.139 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.645 -3.066 16.814 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.120 -0.406 15.818 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.184 -0.920 17.492 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.819 -0.173 15.975 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.885 -0.679 17.652 1.00 0.00 H new ATOM 802 N ASN A 52 -17.700 -3.087 13.701 1.00 0.00 N ATOM 803 CA ASN A 52 -17.484 -3.483 12.284 1.00 0.00 C ATOM 804 C ASN A 52 -15.985 -3.553 11.972 1.00 0.00 C ATOM 805 O ASN A 52 -15.554 -3.254 10.877 1.00 0.00 O ATOM 806 CB ASN A 52 -18.150 -2.376 11.477 1.00 0.00 C ATOM 807 CG ASN A 52 -18.470 -2.881 10.075 1.00 0.00 C ATOM 808 OD1 ASN A 52 -18.503 -4.072 9.832 1.00 0.00 O ATOM 809 ND2 ASN A 52 -18.708 -2.014 9.135 1.00 0.00 N ATOM 0 H ASN A 52 -17.177 -2.267 14.008 1.00 0.00 H new ATOM 0 HA ASN A 52 -17.895 -4.467 12.056 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -19.064 -2.051 11.974 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.492 -1.509 11.420 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.923 -2.332 8.190 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -18.679 -1.016 9.343 1.00 0.00 H new ATOM 816 N PHE A 53 -15.190 -3.956 12.926 1.00 0.00 N ATOM 817 CA PHE A 53 -13.722 -4.056 12.682 1.00 0.00 C ATOM 818 C PHE A 53 -13.424 -5.359 11.936 1.00 0.00 C ATOM 819 O PHE A 53 -14.335 -6.077 11.578 1.00 0.00 O ATOM 820 CB PHE A 53 -13.087 -4.052 14.080 1.00 0.00 C ATOM 821 CG PHE A 53 -12.967 -5.467 14.601 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.099 -6.287 14.673 1.00 0.00 C ATOM 823 CD2 PHE A 53 -11.721 -5.956 15.017 1.00 0.00 C ATOM 824 CE1 PHE A 53 -13.986 -7.596 15.160 1.00 0.00 C ATOM 825 CE2 PHE A 53 -11.608 -7.265 15.502 1.00 0.00 C ATOM 826 CZ PHE A 53 -12.740 -8.085 15.573 1.00 0.00 C ATOM 0 H PHE A 53 -15.493 -4.220 13.863 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.331 -3.242 12.071 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.102 -3.587 14.039 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.693 -3.456 14.762 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.060 -5.911 14.353 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.848 -5.323 14.963 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -14.860 -8.228 15.217 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.647 -7.642 15.821 1.00 0.00 H new ATOM 0 HZ PHE A 53 -12.653 -9.095 15.946 1.00 0.00 H new ATOM 836 N PRO A 54 -12.162 -5.636 11.729 1.00 0.00 N ATOM 837 CA PRO A 54 -11.775 -6.879 11.030 1.00 0.00 C ATOM 838 C PRO A 54 -12.322 -8.092 11.786 1.00 0.00 C ATOM 839 O PRO A 54 -11.600 -8.795 12.460 1.00 0.00 O ATOM 840 CB PRO A 54 -10.245 -6.825 11.069 1.00 0.00 C ATOM 841 CG PRO A 54 -9.815 -5.522 11.772 1.00 0.00 C ATOM 842 CD PRO A 54 -11.070 -4.741 12.179 1.00 0.00 C ATOM 0 HA PRO A 54 -12.163 -6.965 10.015 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.850 -7.690 11.602 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.840 -6.861 10.058 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.211 -5.749 12.650 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.196 -4.921 11.106 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.107 -4.564 13.254 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.117 -3.766 11.693 1.00 0.00 H new ATOM 850 N GLU A 55 -13.603 -8.328 11.686 1.00 0.00 N ATOM 851 CA GLU A 55 -14.212 -9.483 12.404 1.00 0.00 C ATOM 852 C GLU A 55 -13.309 -10.713 12.289 1.00 0.00 C ATOM 853 O GLU A 55 -13.174 -11.482 13.220 1.00 0.00 O ATOM 854 CB GLU A 55 -15.551 -9.716 11.709 1.00 0.00 C ATOM 855 CG GLU A 55 -16.341 -10.779 12.474 1.00 0.00 C ATOM 856 CD GLU A 55 -17.670 -11.038 11.763 1.00 0.00 C ATOM 857 OE1 GLU A 55 -17.898 -10.425 10.732 1.00 0.00 O ATOM 858 OE2 GLU A 55 -18.439 -11.844 12.260 1.00 0.00 O ATOM 0 H GLU A 55 -14.255 -7.768 11.136 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.340 -9.292 13.469 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.118 -8.786 11.666 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.388 -10.038 10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.764 -11.702 12.536 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.522 -10.447 13.496 1.00 0.00 H new ATOM 865 N GLU A 56 -12.675 -10.901 11.163 1.00 0.00 N ATOM 866 CA GLU A 56 -11.769 -12.076 11.017 1.00 0.00 C ATOM 867 C GLU A 56 -10.772 -12.082 12.179 1.00 0.00 C ATOM 868 O GLU A 56 -10.165 -13.085 12.496 1.00 0.00 O ATOM 869 CB GLU A 56 -11.053 -11.862 9.681 1.00 0.00 C ATOM 870 CG GLU A 56 -12.078 -11.890 8.544 1.00 0.00 C ATOM 871 CD GLU A 56 -11.355 -11.777 7.200 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.157 -11.547 7.210 1.00 0.00 O ATOM 873 OE2 GLU A 56 -12.013 -11.921 6.182 1.00 0.00 O ATOM 0 H GLU A 56 -12.744 -10.297 10.344 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.297 -13.030 11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.526 -10.908 9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.304 -12.639 9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.654 -12.815 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.786 -11.069 8.658 1.00 0.00 H new ATOM 880 N LEU A 57 -10.623 -10.957 12.826 1.00 0.00 N ATOM 881 CA LEU A 57 -9.694 -10.861 13.987 1.00 0.00 C ATOM 882 C LEU A 57 -10.481 -11.098 15.276 1.00 0.00 C ATOM 883 O LEU A 57 -10.027 -10.813 16.368 1.00 0.00 O ATOM 884 CB LEU A 57 -9.149 -9.438 13.932 1.00 0.00 C ATOM 885 CG LEU A 57 -8.105 -9.351 12.820 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.770 -9.600 11.465 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.461 -7.962 12.827 1.00 0.00 C ATOM 0 H LEU A 57 -11.111 -10.091 12.596 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.890 -11.596 13.958 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.958 -8.731 13.746 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.704 -9.168 14.889 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.338 -10.107 12.989 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.021 -9.537 10.675 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.222 -10.592 11.458 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.541 -8.849 11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.717 -7.902 12.033 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.228 -7.205 12.664 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.980 -7.789 13.790 1.00 0.00 H new ATOM 899 N LYS A 58 -11.666 -11.620 15.137 1.00 0.00 N ATOM 900 CA LYS A 58 -12.526 -11.894 16.323 1.00 0.00 C ATOM 901 C LYS A 58 -11.698 -12.450 17.486 1.00 0.00 C ATOM 902 O LYS A 58 -11.767 -11.939 18.585 1.00 0.00 O ATOM 903 CB LYS A 58 -13.541 -12.930 15.843 1.00 0.00 C ATOM 904 CG LYS A 58 -14.900 -12.255 15.653 1.00 0.00 C ATOM 905 CD LYS A 58 -15.787 -12.547 16.865 1.00 0.00 C ATOM 906 CE LYS A 58 -15.944 -11.274 17.700 1.00 0.00 C ATOM 907 NZ LYS A 58 -17.254 -10.701 17.280 1.00 0.00 N ATOM 0 H LYS A 58 -12.082 -11.872 14.240 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.005 -10.988 16.694 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.208 -13.374 14.905 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.622 -13.740 16.568 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.771 -11.179 15.534 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.376 -12.621 14.743 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.764 -12.903 16.537 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.346 -13.339 17.470 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.934 -11.497 18.767 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.129 -10.575 17.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.435 -9.824 17.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.231 -10.493 16.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.012 -11.386 17.476 1.00 0.00 H new ATOM 921 N PRO A 59 -10.939 -13.483 17.215 1.00 0.00 N ATOM 922 CA PRO A 59 -10.103 -14.095 18.268 1.00 0.00 C ATOM 923 C PRO A 59 -9.238 -13.028 18.938 1.00 0.00 C ATOM 924 O PRO A 59 -9.107 -12.992 20.146 1.00 0.00 O ATOM 925 CB PRO A 59 -9.264 -15.110 17.484 1.00 0.00 C ATOM 926 CG PRO A 59 -9.677 -15.045 15.999 1.00 0.00 C ATOM 927 CD PRO A 59 -10.866 -14.083 15.862 1.00 0.00 C ATOM 0 HA PRO A 59 -10.667 -14.559 19.077 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.202 -14.887 17.592 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.421 -16.115 17.877 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.841 -14.703 15.389 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.950 -16.037 15.639 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.695 -13.331 15.092 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.785 -14.606 15.598 1.00 0.00 H new ATOM 935 N LEU A 60 -8.653 -12.148 18.171 1.00 0.00 N ATOM 936 CA LEU A 60 -7.813 -11.084 18.781 1.00 0.00 C ATOM 937 C LEU A 60 -8.657 -10.233 19.730 1.00 0.00 C ATOM 938 O LEU A 60 -8.203 -9.824 20.779 1.00 0.00 O ATOM 939 CB LEU A 60 -7.319 -10.240 17.606 1.00 0.00 C ATOM 940 CG LEU A 60 -6.321 -11.055 16.780 1.00 0.00 C ATOM 941 CD1 LEU A 60 -5.914 -10.260 15.537 1.00 0.00 C ATOM 942 CD2 LEU A 60 -5.082 -11.347 17.627 1.00 0.00 C ATOM 0 H LEU A 60 -8.721 -12.122 17.154 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.986 -11.493 19.362 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.160 -9.935 16.983 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.847 -9.328 17.972 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.783 -11.993 16.473 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.203 -10.842 14.950 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.797 -10.050 14.934 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.451 -9.321 15.841 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.369 -11.927 17.041 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.621 -10.408 17.933 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.371 -11.914 18.512 1.00 0.00 H new ATOM 954 N CYS A 61 -9.888 -9.968 19.380 1.00 0.00 N ATOM 955 CA CYS A 61 -10.755 -9.147 20.273 1.00 0.00 C ATOM 956 C CYS A 61 -11.092 -9.927 21.546 1.00 0.00 C ATOM 957 O CYS A 61 -11.275 -9.359 22.603 1.00 0.00 O ATOM 958 CB CYS A 61 -12.019 -8.877 19.454 1.00 0.00 C ATOM 959 SG CYS A 61 -13.357 -8.346 20.552 1.00 0.00 S ATOM 0 H CYS A 61 -10.329 -10.284 18.516 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.269 -8.224 20.589 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.822 -8.108 18.707 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.314 -9.777 18.915 1.00 0.00 H new ATOM 964 N LYS A 62 -11.168 -11.226 21.456 1.00 0.00 N ATOM 965 CA LYS A 62 -11.483 -12.034 22.666 1.00 0.00 C ATOM 966 C LYS A 62 -10.187 -12.413 23.379 1.00 0.00 C ATOM 967 O LYS A 62 -10.195 -13.055 24.410 1.00 0.00 O ATOM 968 CB LYS A 62 -12.194 -13.284 22.143 1.00 0.00 C ATOM 969 CG LYS A 62 -12.663 -14.133 23.328 1.00 0.00 C ATOM 970 CD LYS A 62 -13.316 -15.417 22.811 1.00 0.00 C ATOM 971 CE LYS A 62 -13.849 -16.229 23.993 1.00 0.00 C ATOM 972 NZ LYS A 62 -12.778 -17.223 24.288 1.00 0.00 N ATOM 0 H LYS A 62 -11.026 -11.761 20.599 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.102 -11.491 23.380 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.046 -13.000 21.525 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.520 -13.862 21.511 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.818 -14.376 23.972 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.373 -13.570 23.934 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.129 -15.174 22.127 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.591 -16.006 22.249 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.044 -15.591 24.855 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.788 -16.722 23.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.069 -17.819 25.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.619 -17.820 23.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.898 -16.724 24.530 1.00 0.00 H new ATOM 986 N GLU A 63 -9.071 -12.016 22.831 1.00 0.00 N ATOM 987 CA GLU A 63 -7.768 -12.347 23.469 1.00 0.00 C ATOM 988 C GLU A 63 -7.363 -11.237 24.440 1.00 0.00 C ATOM 989 O GLU A 63 -7.512 -10.069 24.139 1.00 0.00 O ATOM 990 CB GLU A 63 -6.776 -12.430 22.309 1.00 0.00 C ATOM 991 CG GLU A 63 -6.281 -13.867 22.168 1.00 0.00 C ATOM 992 CD GLU A 63 -5.365 -13.974 20.948 1.00 0.00 C ATOM 993 OE1 GLU A 63 -4.383 -13.251 20.903 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.659 -14.778 20.078 1.00 0.00 O ATOM 0 H GLU A 63 -9.007 -11.476 21.968 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.808 -13.273 24.042 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.253 -12.105 21.384 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.935 -11.760 22.486 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.743 -14.167 23.067 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.127 -14.546 22.061 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.856 -11.632 25.577 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.422 -10.652 26.596 1.00 0.00 C ATOM 1003 C PRO A 64 -5.315 -9.760 26.028 1.00 0.00 C ATOM 1004 O PRO A 64 -5.062 -8.679 26.518 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.895 -11.546 27.721 1.00 0.00 C ATOM 1006 CG PRO A 64 -6.056 -13.020 27.298 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.690 -13.068 25.902 1.00 0.00 C ATOM 0 HA PRO A 64 -7.210 -9.976 26.927 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.847 -11.323 27.922 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.444 -11.356 28.643 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.086 -13.518 27.289 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.681 -13.552 28.015 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.048 -13.576 25.182 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.644 -13.596 25.907 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.651 -10.212 24.997 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.559 -9.393 24.399 1.00 0.00 C ATOM 1017 C ASN A 65 -4.107 -8.495 23.285 1.00 0.00 C ATOM 1018 O ASN A 65 -3.387 -7.712 22.700 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.571 -10.411 23.830 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.069 -11.318 24.956 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.000 -10.907 26.097 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -1.711 -12.543 24.680 1.00 0.00 N ATOM 0 H ASN A 65 -4.818 -11.111 24.545 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.093 -8.733 25.131 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.053 -11.008 23.055 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.732 -9.897 23.361 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.373 -13.155 25.423 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.769 -12.888 23.722 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.375 -8.596 22.989 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.954 -7.738 21.914 1.00 0.00 C ATOM 1031 C ALA A 66 -5.481 -6.295 22.092 1.00 0.00 C ATOM 1032 O ALA A 66 -5.245 -5.585 21.135 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.468 -7.829 22.098 1.00 0.00 C ATOM 0 H ALA A 66 -6.032 -9.231 23.442 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.649 -8.060 20.918 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.964 -7.222 21.341 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.785 -8.867 21.996 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.737 -7.464 23.089 1.00 0.00 H new ATOM 1039 N GLN A 67 -5.336 -5.856 23.313 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.876 -4.461 23.554 1.00 0.00 C ATOM 1041 C GLN A 67 -3.511 -4.240 22.898 1.00 0.00 C ATOM 1042 O GLN A 67 -3.283 -3.246 22.237 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.775 -4.335 25.074 1.00 0.00 C ATOM 1044 CG GLN A 67 -6.173 -4.452 25.685 1.00 0.00 C ATOM 1045 CD GLN A 67 -6.080 -4.323 27.207 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -5.003 -4.371 27.769 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -7.171 -4.160 27.903 1.00 0.00 N ATOM 0 H GLN A 67 -5.517 -6.405 24.154 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.554 -3.719 23.132 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.125 -5.114 25.473 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.327 -3.378 25.342 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.823 -3.675 25.283 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.619 -5.410 25.418 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.075 -4.120 27.432 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.120 -4.073 28.918 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.601 -5.162 23.068 1.00 0.00 N ATOM 1057 CA GLU A 68 -1.256 -5.005 22.444 1.00 0.00 C ATOM 1058 C GLU A 68 -1.314 -5.406 20.967 1.00 0.00 C ATOM 1059 O GLU A 68 -0.732 -4.764 20.116 1.00 0.00 O ATOM 1060 CB GLU A 68 -0.344 -5.953 23.223 1.00 0.00 C ATOM 1061 CG GLU A 68 -0.275 -5.508 24.685 1.00 0.00 C ATOM 1062 CD GLU A 68 0.672 -6.431 25.456 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.066 -7.442 24.899 1.00 0.00 O ATOM 1064 OE2 GLU A 68 0.986 -6.110 26.590 1.00 0.00 O ATOM 0 H GLU A 68 -2.731 -6.016 23.611 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.898 -3.976 22.482 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.723 -6.973 23.160 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.654 -5.956 22.785 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.075 -4.477 24.746 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.269 -5.534 25.131 1.00 0.00 H new ATOM 1071 N ILE A 69 -2.014 -6.464 20.658 1.00 0.00 N ATOM 1072 CA ILE A 69 -2.109 -6.906 19.236 1.00 0.00 C ATOM 1073 C ILE A 69 -2.676 -5.779 18.370 1.00 0.00 C ATOM 1074 O ILE A 69 -2.173 -5.491 17.303 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.065 -8.099 19.250 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.478 -9.218 20.114 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.266 -8.607 17.820 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.484 -10.367 20.219 1.00 0.00 C ATOM 0 H ILE A 69 -2.524 -7.041 21.327 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.136 -7.170 18.822 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.025 -7.790 19.664 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.545 -9.576 19.678 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.240 -8.838 21.107 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.947 -9.458 17.828 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.688 -7.810 17.207 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.306 -8.915 17.405 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.064 -11.163 20.834 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.405 -10.004 20.674 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.700 -10.754 19.223 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.720 -5.141 18.822 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.321 -4.033 18.026 1.00 0.00 C ATOM 1092 C LEU A 70 -3.225 -3.100 17.505 1.00 0.00 C ATOM 1093 O LEU A 70 -3.083 -2.899 16.315 1.00 0.00 O ATOM 1094 CB LEU A 70 -5.241 -3.295 19.000 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.662 -1.951 18.397 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.559 -0.918 18.636 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.895 -2.109 16.892 1.00 0.00 C ATOM 0 H LEU A 70 -4.184 -5.339 19.709 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.864 -4.399 17.155 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.122 -3.901 19.213 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.728 -3.134 19.948 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.585 -1.617 18.871 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.857 0.039 18.207 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.396 -0.801 19.707 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.636 -1.255 18.164 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.194 -1.151 16.468 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.975 -2.446 16.415 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.682 -2.843 16.721 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.447 -2.527 18.384 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.362 -1.608 17.929 1.00 0.00 C ATOM 1111 C GLN A 71 -0.555 -2.265 16.808 1.00 0.00 C ATOM 1112 O GLN A 71 -0.423 -1.727 15.727 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.480 -1.390 19.157 1.00 0.00 C ATOM 1114 CG GLN A 71 -1.297 -0.733 20.271 1.00 0.00 C ATOM 1115 CD GLN A 71 -0.441 -0.633 21.535 1.00 0.00 C ATOM 1116 OE1 GLN A 71 0.710 -1.020 21.535 1.00 0.00 O ATOM 1117 NE2 GLN A 71 -0.958 -0.127 22.622 1.00 0.00 N ATOM 0 H GLN A 71 -2.515 -2.654 19.394 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.755 -0.670 17.538 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.078 -2.343 19.502 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.371 -0.760 18.898 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.625 0.259 19.961 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.195 -1.317 20.472 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.925 0.198 22.623 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.395 -0.057 23.470 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.016 -3.428 17.058 1.00 0.00 N ATOM 1127 CA ARG A 72 0.781 -4.124 16.009 1.00 0.00 C ATOM 1128 C ARG A 72 0.004 -4.142 14.691 1.00 0.00 C ATOM 1129 O ARG A 72 0.500 -3.731 13.661 1.00 0.00 O ATOM 1130 CB ARG A 72 0.977 -5.547 16.537 1.00 0.00 C ATOM 1131 CG ARG A 72 1.802 -5.503 17.825 1.00 0.00 C ATOM 1132 CD ARG A 72 2.123 -6.930 18.275 1.00 0.00 C ATOM 1133 NE ARG A 72 2.692 -6.780 19.645 1.00 0.00 N ATOM 1134 CZ ARG A 72 3.792 -7.403 19.965 1.00 0.00 C ATOM 1135 NH1 ARG A 72 3.868 -8.700 19.838 1.00 0.00 N ATOM 1136 NH2 ARG A 72 4.817 -6.731 20.415 1.00 0.00 N ATOM 0 H ARG A 72 -0.094 -3.926 17.945 1.00 0.00 H new ATOM 0 HA ARG A 72 1.733 -3.630 15.814 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.010 -6.012 16.727 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.483 -6.158 15.789 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.724 -4.946 17.660 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.250 -4.980 18.606 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.228 -7.552 18.285 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.835 -7.406 17.601 1.00 0.00 H new ATOM 0 HE ARG A 72 2.221 -6.190 20.331 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.067 -9.226 19.488 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.728 -9.187 20.088 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.758 -5.718 20.517 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.677 -7.219 20.665 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.215 -4.607 14.718 1.00 0.00 N ATOM 1151 CA LEU A 73 -2.025 -4.644 13.468 1.00 0.00 C ATOM 1152 C LEU A 73 -2.012 -3.269 12.795 1.00 0.00 C ATOM 1153 O LEU A 73 -1.752 -3.146 11.615 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.439 -5.002 13.923 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.425 -6.376 14.595 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.862 -6.847 14.820 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.693 -7.375 13.697 1.00 0.00 C ATOM 0 H LEU A 73 -1.685 -4.963 15.551 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.637 -5.360 12.743 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.811 -4.249 14.618 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.116 -5.010 13.069 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.912 -6.307 15.554 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.853 -7.826 15.299 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.382 -6.135 15.460 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.376 -6.916 13.862 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.683 -8.354 14.175 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.205 -7.445 12.738 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.669 -7.038 13.538 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.295 -2.234 13.538 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.300 -0.868 12.940 1.00 0.00 C ATOM 1171 C GLU A 74 -0.986 -0.611 12.196 1.00 0.00 C ATOM 1172 O GLU A 74 -0.980 -0.256 11.033 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.438 0.084 14.128 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.754 -0.196 14.855 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.020 0.910 15.878 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -3.137 1.728 16.079 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.101 0.922 16.442 1.00 0.00 O ATOM 0 H GLU A 74 -2.523 -2.275 14.531 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.105 -0.737 12.217 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.598 -0.045 14.811 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.413 1.118 13.784 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.574 -0.247 14.138 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.707 -1.164 15.354 1.00 0.00 H new ATOM 1184 N GLU A 75 0.128 -0.782 12.858 1.00 0.00 N ATOM 1185 CA GLU A 75 1.440 -0.541 12.190 1.00 0.00 C ATOM 1186 C GLU A 75 1.559 -1.387 10.918 1.00 0.00 C ATOM 1187 O GLU A 75 1.784 -0.873 9.840 1.00 0.00 O ATOM 1188 CB GLU A 75 2.486 -0.970 13.218 1.00 0.00 C ATOM 1189 CG GLU A 75 3.885 -0.632 12.698 1.00 0.00 C ATOM 1190 CD GLU A 75 4.934 -1.151 13.683 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.544 -1.773 14.658 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.108 -0.919 13.446 1.00 0.00 O ATOM 0 H GLU A 75 0.186 -1.078 13.832 1.00 0.00 H new ATOM 0 HA GLU A 75 1.563 0.499 11.886 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.307 -0.464 14.167 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.406 -2.040 13.408 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.038 -1.081 11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.988 0.446 12.575 1.00 0.00 H new ATOM 1199 N ILE A 76 1.407 -2.679 11.031 1.00 0.00 N ATOM 1200 CA ILE A 76 1.512 -3.546 9.823 1.00 0.00 C ATOM 1201 C ILE A 76 0.479 -3.116 8.782 1.00 0.00 C ATOM 1202 O ILE A 76 0.760 -3.053 7.600 1.00 0.00 O ATOM 1203 CB ILE A 76 1.216 -4.960 10.322 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.280 -5.376 11.339 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.234 -5.932 9.139 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.668 -5.230 10.711 1.00 0.00 C ATOM 0 H ILE A 76 1.215 -3.170 11.904 1.00 0.00 H new ATOM 0 HA ILE A 76 2.491 -3.481 9.348 1.00 0.00 H new ATOM 0 HB ILE A 76 0.234 -4.980 10.795 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.206 -4.757 12.233 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.117 -6.407 11.651 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.023 -6.941 9.494 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.476 -5.636 8.414 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.216 -5.912 8.666 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.428 -5.526 11.434 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.738 -5.868 9.830 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.829 -4.192 10.421 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.712 -2.807 9.212 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.760 -2.370 8.250 1.00 0.00 C ATOM 1220 C ALA A 77 -1.224 -1.222 7.391 1.00 0.00 C ATOM 1221 O ALA A 77 -1.508 -1.125 6.214 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.925 -1.896 9.118 1.00 0.00 C ATOM 0 H ALA A 77 -1.005 -2.838 10.189 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.064 -3.167 7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.740 -1.557 8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.272 -2.719 9.743 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.595 -1.073 9.752 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.446 -0.354 7.977 1.00 0.00 N ATOM 1229 CA GLU A 78 0.117 0.787 7.202 1.00 0.00 C ATOM 1230 C GLU A 78 1.037 0.268 6.093 1.00 0.00 C ATOM 1231 O GLU A 78 0.990 0.727 4.969 1.00 0.00 O ATOM 1232 CB GLU A 78 0.912 1.604 8.221 1.00 0.00 C ATOM 1233 CG GLU A 78 1.414 2.890 7.564 1.00 0.00 C ATOM 1234 CD GLU A 78 2.295 3.656 8.552 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.483 3.162 9.652 1.00 0.00 O ATOM 1236 OE2 GLU A 78 2.768 4.721 8.193 1.00 0.00 O ATOM 0 H GLU A 78 -0.176 -0.386 8.960 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.658 1.382 6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.285 1.843 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.754 1.021 8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.980 2.654 6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.570 3.508 7.258 1.00 0.00 H new ATOM 1243 N ASP A 79 1.874 -0.684 6.396 1.00 0.00 N ATOM 1244 CA ASP A 79 2.792 -1.225 5.353 1.00 0.00 C ATOM 1245 C ASP A 79 2.847 -2.754 5.437 1.00 0.00 C ATOM 1246 O ASP A 79 2.807 -3.316 6.513 1.00 0.00 O ATOM 1247 CB ASP A 79 4.161 -0.624 5.679 1.00 0.00 C ATOM 1248 CG ASP A 79 4.994 -0.530 4.399 1.00 0.00 C ATOM 1249 OD1 ASP A 79 4.544 0.118 3.468 1.00 0.00 O ATOM 1250 OD2 ASP A 79 6.068 -1.108 4.372 1.00 0.00 O ATOM 0 H ASP A 79 1.963 -1.111 7.318 1.00 0.00 H new ATOM 0 HA ASP A 79 2.464 -0.972 4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.040 0.365 6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.675 -1.241 6.416 1.00 0.00 H new ATOM 1255 N PRO A 80 2.938 -3.381 4.293 1.00 0.00 N ATOM 1256 CA PRO A 80 3.001 -4.859 4.235 1.00 0.00 C ATOM 1257 C PRO A 80 4.214 -5.377 5.012 1.00 0.00 C ATOM 1258 O PRO A 80 4.105 -6.288 5.808 1.00 0.00 O ATOM 1259 CB PRO A 80 3.145 -5.130 2.735 1.00 0.00 C ATOM 1260 CG PRO A 80 3.156 -3.783 1.986 1.00 0.00 C ATOM 1261 CD PRO A 80 2.985 -2.649 3.006 1.00 0.00 C ATOM 0 HA PRO A 80 2.137 -5.354 4.678 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.065 -5.679 2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.321 -5.751 2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.092 -3.662 1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.352 -3.754 1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.815 -1.943 2.971 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.073 -2.079 2.830 1.00 0.00 H new ATOM 1269 N GLY A 81 5.370 -4.811 4.787 1.00 0.00 N ATOM 1270 CA GLY A 81 6.581 -5.285 5.514 1.00 0.00 C ATOM 1271 C GLY A 81 7.095 -6.560 4.847 1.00 0.00 C ATOM 1272 O GLY A 81 7.129 -6.667 3.637 1.00 0.00 O ATOM 0 H GLY A 81 5.527 -4.044 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.353 -4.516 5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.341 -5.478 6.560 1.00 0.00 H new ATOM 1276 N THR A 82 7.484 -7.533 5.622 1.00 0.00 N ATOM 1277 CA THR A 82 7.979 -8.803 5.021 1.00 0.00 C ATOM 1278 C THR A 82 6.791 -9.617 4.510 1.00 0.00 C ATOM 1279 O THR A 82 6.913 -10.435 3.619 1.00 0.00 O ATOM 1280 CB THR A 82 8.685 -9.536 6.163 1.00 0.00 C ATOM 1281 OG1 THR A 82 7.729 -9.920 7.140 1.00 0.00 O ATOM 1282 CG2 THR A 82 9.725 -8.613 6.798 1.00 0.00 C ATOM 0 H THR A 82 7.481 -7.505 6.642 1.00 0.00 H new ATOM 0 HA THR A 82 8.649 -8.638 4.177 1.00 0.00 H new ATOM 0 HB THR A 82 9.182 -10.424 5.773 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.183 -10.094 7.991 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.227 -9.136 7.612 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.459 -8.320 6.047 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.231 -7.723 7.189 1.00 0.00 H new ATOM 1290 N CYS A 83 5.637 -9.389 5.070 1.00 0.00 N ATOM 1291 CA CYS A 83 4.428 -10.137 4.628 1.00 0.00 C ATOM 1292 C CYS A 83 4.331 -10.133 3.099 1.00 0.00 C ATOM 1293 O CYS A 83 4.222 -11.168 2.470 1.00 0.00 O ATOM 1294 CB CYS A 83 3.254 -9.372 5.243 1.00 0.00 C ATOM 1295 SG CYS A 83 1.735 -10.338 5.066 1.00 0.00 S ATOM 0 H CYS A 83 5.478 -8.714 5.818 1.00 0.00 H new ATOM 0 HA CYS A 83 4.447 -11.182 4.939 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.449 -9.174 6.297 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.141 -8.405 4.752 1.00 0.00 H new ATOM 1300 N GLU A 84 4.350 -8.974 2.502 1.00 0.00 N ATOM 1301 CA GLU A 84 4.237 -8.890 1.016 1.00 0.00 C ATOM 1302 C GLU A 84 5.385 -9.631 0.319 1.00 0.00 C ATOM 1303 O GLU A 84 5.197 -10.230 -0.720 1.00 0.00 O ATOM 1304 CB GLU A 84 4.303 -7.396 0.703 1.00 0.00 C ATOM 1305 CG GLU A 84 4.115 -7.185 -0.801 1.00 0.00 C ATOM 1306 CD GLU A 84 4.281 -5.700 -1.132 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.576 -4.941 -0.225 1.00 0.00 O ATOM 1308 OE2 GLU A 84 4.111 -5.349 -2.289 1.00 0.00 O ATOM 0 H GLU A 84 4.439 -8.077 2.980 1.00 0.00 H new ATOM 0 HA GLU A 84 3.318 -9.355 0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.530 -6.862 1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.262 -6.988 1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.844 -7.776 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.127 -7.529 -1.107 1.00 0.00 H new ATOM 1315 N ILE A 85 6.574 -9.590 0.861 1.00 0.00 N ATOM 1316 CA ILE A 85 7.708 -10.290 0.188 1.00 0.00 C ATOM 1317 C ILE A 85 7.773 -11.757 0.628 1.00 0.00 C ATOM 1318 O ILE A 85 8.718 -12.463 0.337 1.00 0.00 O ATOM 1319 CB ILE A 85 8.969 -9.529 0.612 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.178 -9.668 2.119 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.812 -8.047 0.258 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.287 -8.716 2.569 1.00 0.00 C ATOM 0 H ILE A 85 6.808 -9.109 1.729 1.00 0.00 H new ATOM 0 HA ILE A 85 7.595 -10.299 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 85 9.830 -9.944 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.252 -9.441 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.443 -10.696 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.708 -7.504 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.669 -7.943 -0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.947 -7.638 0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.437 -8.814 3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.213 -8.964 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.003 -7.690 2.335 1.00 0.00 H new ATOM 1334 N CYS A 86 6.767 -12.223 1.319 1.00 0.00 N ATOM 1335 CA CYS A 86 6.760 -13.647 1.768 1.00 0.00 C ATOM 1336 C CYS A 86 8.049 -13.987 2.519 1.00 0.00 C ATOM 1337 O CYS A 86 8.408 -15.139 2.663 1.00 0.00 O ATOM 1338 CB CYS A 86 6.663 -14.466 0.480 1.00 0.00 C ATOM 1339 SG CYS A 86 5.012 -14.269 -0.238 1.00 0.00 S ATOM 0 H CYS A 86 5.949 -11.679 1.592 1.00 0.00 H new ATOM 0 HA CYS A 86 5.937 -13.853 2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.422 -14.138 -0.230 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.857 -15.518 0.690 1.00 0.00 H new ATOM 1344 N ALA A 87 8.746 -12.999 3.007 1.00 0.00 N ATOM 1345 CA ALA A 87 10.006 -13.280 3.755 1.00 0.00 C ATOM 1346 C ALA A 87 9.673 -13.741 5.175 1.00 0.00 C ATOM 1347 O ALA A 87 10.543 -14.105 5.942 1.00 0.00 O ATOM 1348 CB ALA A 87 10.758 -11.951 3.784 1.00 0.00 C ATOM 0 H ALA A 87 8.500 -12.013 2.922 1.00 0.00 H new ATOM 0 HA ALA A 87 10.599 -14.068 3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.699 -12.077 4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.962 -11.626 2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.151 -11.200 4.290 1.00 0.00 H new ATOM 1354 N TYR A 88 8.418 -13.725 5.528 1.00 0.00 N ATOM 1355 CA TYR A 88 8.020 -14.158 6.897 1.00 0.00 C ATOM 1356 C TYR A 88 6.648 -14.839 6.857 1.00 0.00 C ATOM 1357 O TYR A 88 5.928 -14.750 5.883 1.00 0.00 O ATOM 1358 CB TYR A 88 7.956 -12.865 7.711 1.00 0.00 C ATOM 1359 CG TYR A 88 7.672 -13.191 9.158 1.00 0.00 C ATOM 1360 CD1 TYR A 88 8.427 -14.169 9.817 1.00 0.00 C ATOM 1361 CD2 TYR A 88 6.655 -12.514 9.839 1.00 0.00 C ATOM 1362 CE1 TYR A 88 8.164 -14.469 11.158 1.00 0.00 C ATOM 1363 CE2 TYR A 88 6.392 -12.814 11.181 1.00 0.00 C ATOM 1364 CZ TYR A 88 7.146 -13.791 11.840 1.00 0.00 C ATOM 1365 OH TYR A 88 6.887 -14.087 13.164 1.00 0.00 O ATOM 0 H TYR A 88 7.649 -13.430 4.926 1.00 0.00 H new ATOM 0 HA TYR A 88 8.717 -14.878 7.326 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.899 -12.324 7.628 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.178 -12.212 7.315 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.212 -14.691 9.290 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.073 -11.760 9.330 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.746 -15.223 11.667 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.607 -12.291 11.707 1.00 0.00 H new ATOM 0 HH TYR A 88 6.151 -13.526 13.487 1.00 0.00 H new ATOM 1375 N ALA A 89 6.286 -15.521 7.908 1.00 0.00 N ATOM 1376 CA ALA A 89 4.963 -16.211 7.929 1.00 0.00 C ATOM 1377 C ALA A 89 3.834 -15.195 8.130 1.00 0.00 C ATOM 1378 O ALA A 89 2.680 -15.551 8.252 1.00 0.00 O ATOM 1379 CB ALA A 89 5.038 -17.172 9.117 1.00 0.00 C ATOM 0 H ALA A 89 6.847 -15.631 8.753 1.00 0.00 H new ATOM 0 HA ALA A 89 4.755 -16.731 6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.100 -17.720 9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.857 -17.875 8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.211 -16.606 10.032 1.00 0.00 H new ATOM 1385 N ALA A 90 4.159 -13.931 8.170 1.00 0.00 N ATOM 1386 CA ALA A 90 3.105 -12.894 8.369 1.00 0.00 C ATOM 1387 C ALA A 90 2.107 -12.911 7.206 1.00 0.00 C ATOM 1388 O ALA A 90 0.940 -12.619 7.377 1.00 0.00 O ATOM 1389 CB ALA A 90 3.860 -11.565 8.400 1.00 0.00 C ATOM 0 H ALA A 90 5.109 -13.571 8.074 1.00 0.00 H new ATOM 0 HA ALA A 90 2.531 -13.064 9.280 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.153 -10.748 8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.577 -11.573 9.221 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.389 -11.425 7.457 1.00 0.00 H new ATOM 1395 N CYS A 91 2.554 -13.245 6.026 1.00 0.00 N ATOM 1396 CA CYS A 91 1.624 -13.270 4.858 1.00 0.00 C ATOM 1397 C CYS A 91 1.332 -14.708 4.432 1.00 0.00 C ATOM 1398 O CYS A 91 2.226 -15.466 4.111 1.00 0.00 O ATOM 1399 CB CYS A 91 2.364 -12.531 3.747 1.00 0.00 C ATOM 1400 SG CYS A 91 1.457 -11.027 3.309 1.00 0.00 S ATOM 0 H CYS A 91 3.519 -13.501 5.819 1.00 0.00 H new ATOM 0 HA CYS A 91 0.665 -12.809 5.093 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.372 -12.277 4.074 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.465 -13.174 2.873 1.00 0.00 H new ATOM 1405 N THR A 92 0.086 -15.087 4.423 1.00 0.00 N ATOM 1406 CA THR A 92 -0.268 -16.475 4.015 1.00 0.00 C ATOM 1407 C THR A 92 -0.886 -16.469 2.614 1.00 0.00 C ATOM 1408 O THR A 92 -1.513 -15.512 2.207 1.00 0.00 O ATOM 1409 CB THR A 92 -1.285 -16.941 5.058 1.00 0.00 C ATOM 1410 OG1 THR A 92 -2.541 -16.331 4.797 1.00 0.00 O ATOM 1411 CG2 THR A 92 -0.800 -16.543 6.453 1.00 0.00 C ATOM 0 H THR A 92 -0.704 -14.496 4.681 1.00 0.00 H new ATOM 0 HA THR A 92 0.599 -17.134 3.972 1.00 0.00 H new ATOM 0 HB THR A 92 -1.392 -18.025 5.008 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.195 -16.630 5.463 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.523 -16.874 7.198 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.164 -17.011 6.650 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.695 -15.459 6.506 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.711 -17.529 1.873 1.00 0.00 N ATOM 1420 CA GLY A 93 -1.286 -17.580 0.499 1.00 0.00 C ATOM 1421 C GLY A 93 -0.189 -17.269 -0.521 1.00 0.00 C ATOM 1422 O GLY A 93 -0.390 -17.372 -1.715 1.00 0.00 O ATOM 0 H GLY A 93 -0.195 -18.361 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.709 -18.566 0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.099 -16.860 0.406 1.00 0.00 H new ATOM 1426 N CYS A 94 0.970 -16.888 -0.058 1.00 0.00 N ATOM 1427 CA CYS A 94 2.084 -16.569 -0.998 1.00 0.00 C ATOM 1428 C CYS A 94 2.220 -17.669 -2.054 1.00 0.00 C ATOM 1429 O CYS A 94 1.506 -17.608 -3.041 1.00 0.00 O ATOM 1430 CB CYS A 94 3.335 -16.510 -0.122 1.00 0.00 C ATOM 1431 SG CYS A 94 3.409 -14.907 0.716 1.00 0.00 S ATOM 1432 OXT CYS A 94 3.038 -18.554 -1.857 1.00 0.00 O ATOM 0 H CYS A 94 1.195 -16.783 0.931 1.00 0.00 H new ATOM 0 HA CYS A 94 1.916 -15.635 -1.534 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.316 -17.316 0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 94 4.227 -16.655 -0.732 1.00 0.00 H new TER 1437 CYS A 94