USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.465 K(o=1.4,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -173:sc= 0.983 (180deg=-0.231) USER MOD Set 2.1: A 5 HIS : no HE2:sc= 0.17 K(o=0.18,f=-4.4!) USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0.0098 USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= -1 (180deg=-1.07) USER MOD Single : A 8 SER OG : rot 70:sc= 0.716 USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 THR OG1 : rot -84:sc= 0.556 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 28:sc= 0.812 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -87:sc= 1.5 USER MOD Single : A 46 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-5.3!) USER MOD Single : A 50 SER OG : rot -93:sc= 1.37 USER MOD Single : A 54 TYR OH : rot 2:sc= 1.26 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.652 USER MOD Single : A 69 LYS NZ :NH3+ 149:sc= 1.24 (180deg=1.17) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 1.21 (180deg=1.01) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -150:sc= 0.0296 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 13.593 9.603 -9.851 1.00 0.00 N ATOM 2 CA GLU A 2 12.514 10.451 -9.371 1.00 0.00 C ATOM 3 C GLU A 2 11.791 9.708 -8.276 1.00 0.00 C ATOM 4 O GLU A 2 11.589 8.498 -8.377 1.00 0.00 O ATOM 5 CB GLU A 2 11.549 10.790 -10.518 1.00 0.00 C ATOM 6 CG GLU A 2 10.420 11.741 -10.133 1.00 0.00 C ATOM 7 CD GLU A 2 10.933 13.077 -9.654 1.00 0.00 C ATOM 8 OE1 GLU A 2 11.155 13.971 -10.489 1.00 0.00 O ATOM 9 OE2 GLU A 2 11.125 13.264 -8.434 1.00 0.00 O ATOM 0 HA GLU A 2 12.915 11.389 -8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.118 11.233 -11.336 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.115 9.865 -10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.767 11.892 -10.992 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.815 11.285 -9.349 1.00 0.00 H new ATOM 16 N LEU A 3 11.411 10.405 -7.247 1.00 0.00 N ATOM 17 CA LEU A 3 10.748 9.801 -6.116 1.00 0.00 C ATOM 18 C LEU A 3 9.626 10.672 -5.623 1.00 0.00 C ATOM 19 O LEU A 3 9.509 11.840 -6.002 1.00 0.00 O ATOM 20 CB LEU A 3 11.732 9.504 -4.970 1.00 0.00 C ATOM 21 CG LEU A 3 12.732 8.361 -5.191 1.00 0.00 C ATOM 22 CD1 LEU A 3 13.722 8.302 -4.044 1.00 0.00 C ATOM 23 CD2 LEU A 3 11.997 7.028 -5.307 1.00 0.00 C ATOM 0 H LEU A 3 11.550 11.412 -7.162 1.00 0.00 H new ATOM 0 HA LEU A 3 10.333 8.852 -6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.297 10.413 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.152 9.279 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 3 13.272 8.549 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.426 7.487 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.266 9.245 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.187 8.132 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.719 6.227 -5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.439 6.839 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.308 7.065 -6.150 1.00 0.00 H new ATOM 35 N LYS A 4 8.813 10.092 -4.793 1.00 0.00 N ATOM 36 CA LYS A 4 7.681 10.749 -4.193 1.00 0.00 C ATOM 37 C LYS A 4 8.089 11.752 -3.138 1.00 0.00 C ATOM 38 O LYS A 4 9.257 11.839 -2.758 1.00 0.00 O ATOM 39 CB LYS A 4 6.739 9.689 -3.579 1.00 0.00 C ATOM 40 CG LYS A 4 7.401 8.680 -2.605 1.00 0.00 C ATOM 41 CD LYS A 4 7.700 9.251 -1.224 1.00 0.00 C ATOM 42 CE LYS A 4 8.495 8.265 -0.401 1.00 0.00 C ATOM 43 NZ LYS A 4 8.883 8.793 0.924 1.00 0.00 N ATOM 0 H LYS A 4 8.918 9.120 -4.503 1.00 0.00 H new ATOM 0 HA LYS A 4 7.165 11.303 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.939 10.205 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.274 9.130 -4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.746 7.815 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.331 8.322 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.257 10.183 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.767 9.490 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.907 7.357 -0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.393 7.984 -0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.305 8.031 1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.576 9.559 0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.041 9.162 1.411 1.00 0.00 H new ATOM 57 N HIS A 5 7.134 12.519 -2.687 1.00 0.00 N ATOM 58 CA HIS A 5 7.344 13.368 -1.542 1.00 0.00 C ATOM 59 C HIS A 5 6.689 12.710 -0.316 1.00 0.00 C ATOM 60 O HIS A 5 7.078 12.968 0.815 1.00 0.00 O ATOM 61 CB HIS A 5 6.827 14.813 -1.779 1.00 0.00 C ATOM 62 CG HIS A 5 5.348 14.941 -1.989 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.721 14.734 -3.191 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.371 15.240 -1.109 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.423 14.900 -3.016 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.144 15.215 -1.764 1.00 0.00 N ATOM 0 H HIS A 5 6.201 12.575 -3.094 1.00 0.00 H new ATOM 0 HA HIS A 5 8.415 13.470 -1.364 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.110 15.427 -0.924 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.337 15.225 -2.650 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.179 14.493 -4.070 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.518 15.463 -0.063 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.684 14.792 -3.796 1.00 0.00 H new ATOM 74 N SER A 6 5.709 11.824 -0.573 1.00 0.00 N ATOM 75 CA SER A 6 5.009 11.074 0.468 1.00 0.00 C ATOM 76 C SER A 6 4.098 10.054 -0.219 1.00 0.00 C ATOM 77 O SER A 6 4.213 9.856 -1.430 1.00 0.00 O ATOM 78 CB SER A 6 4.157 12.026 1.316 1.00 0.00 C ATOM 79 OG SER A 6 3.119 12.611 0.530 1.00 0.00 O ATOM 0 H SER A 6 5.384 11.612 -1.516 1.00 0.00 H new ATOM 0 HA SER A 6 5.727 10.574 1.118 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.722 11.483 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.787 12.810 1.736 1.00 0.00 H new ATOM 0 HG SER A 6 2.586 13.214 1.089 1.00 0.00 H new ATOM 85 N ILE A 7 3.206 9.427 0.542 1.00 0.00 N ATOM 86 CA ILE A 7 2.218 8.500 -0.002 1.00 0.00 C ATOM 87 C ILE A 7 1.217 9.259 -0.887 1.00 0.00 C ATOM 88 O ILE A 7 0.733 8.737 -1.885 1.00 0.00 O ATOM 89 CB ILE A 7 1.446 7.759 1.136 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.436 6.761 0.555 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.744 8.750 2.057 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.349 6.003 1.598 1.00 0.00 C ATOM 0 H ILE A 7 3.147 9.547 1.553 1.00 0.00 H new ATOM 0 HA ILE A 7 2.750 7.758 -0.598 1.00 0.00 H new ATOM 0 HB ILE A 7 2.177 7.204 1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.260 7.298 -0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.967 6.047 -0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.215 8.207 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.482 9.412 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.032 9.341 1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.041 5.319 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.336 5.436 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.910 6.706 2.213 1.00 0.00 H new ATOM 104 N SER A 8 0.980 10.523 -0.546 1.00 0.00 N ATOM 105 CA SER A 8 0.023 11.346 -1.243 1.00 0.00 C ATOM 106 C SER A 8 0.586 11.764 -2.611 1.00 0.00 C ATOM 107 O SER A 8 -0.116 12.319 -3.447 1.00 0.00 O ATOM 108 CB SER A 8 -0.368 12.566 -0.368 1.00 0.00 C ATOM 109 OG SER A 8 -1.379 13.357 -0.971 1.00 0.00 O ATOM 0 H SER A 8 1.452 10.997 0.224 1.00 0.00 H new ATOM 0 HA SER A 8 -0.887 10.776 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.714 12.217 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.514 13.181 -0.190 1.00 0.00 H new ATOM 0 HG SER A 8 -2.227 12.865 -0.964 1.00 0.00 H new ATOM 115 N ASP A 9 1.864 11.499 -2.824 1.00 0.00 N ATOM 116 CA ASP A 9 2.486 11.736 -4.129 1.00 0.00 C ATOM 117 C ASP A 9 2.002 10.694 -5.131 1.00 0.00 C ATOM 118 O ASP A 9 1.978 10.934 -6.336 1.00 0.00 O ATOM 119 CB ASP A 9 3.991 11.649 -4.011 1.00 0.00 C ATOM 120 CG ASP A 9 4.734 12.023 -5.280 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.020 11.145 -6.095 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.099 13.206 -5.430 1.00 0.00 O ATOM 0 H ASP A 9 2.495 11.121 -2.117 1.00 0.00 H new ATOM 0 HA ASP A 9 2.207 12.732 -4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.320 12.303 -3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.265 10.632 -3.729 1.00 0.00 H new ATOM 127 N TYR A 10 1.601 9.550 -4.620 1.00 0.00 N ATOM 128 CA TYR A 10 1.116 8.478 -5.444 1.00 0.00 C ATOM 129 C TYR A 10 -0.368 8.644 -5.650 1.00 0.00 C ATOM 130 O TYR A 10 -1.083 9.042 -4.735 1.00 0.00 O ATOM 131 CB TYR A 10 1.328 7.108 -4.767 1.00 0.00 C ATOM 132 CG TYR A 10 2.755 6.702 -4.480 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.490 5.979 -5.406 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.353 7.005 -3.268 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.782 5.581 -5.136 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.636 6.610 -2.989 1.00 0.00 C ATOM 137 CZ TYR A 10 5.350 5.899 -3.924 1.00 0.00 C ATOM 138 OH TYR A 10 6.643 5.514 -3.650 1.00 0.00 O ATOM 0 H TYR A 10 1.604 9.343 -3.621 1.00 0.00 H new ATOM 0 HA TYR A 10 1.664 8.512 -6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.779 7.106 -3.826 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.878 6.343 -5.400 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.043 5.723 -6.355 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.798 7.563 -2.528 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.344 5.024 -5.871 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.084 6.857 -2.038 1.00 0.00 H new ATOM 0 HH TYR A 10 7.157 5.477 -4.484 1.00 0.00 H new ATOM 148 N THR A 11 -0.821 8.411 -6.844 1.00 0.00 N ATOM 149 CA THR A 11 -2.239 8.303 -7.097 1.00 0.00 C ATOM 150 C THR A 11 -2.684 6.895 -6.637 1.00 0.00 C ATOM 151 O THR A 11 -1.804 6.062 -6.307 1.00 0.00 O ATOM 152 CB THR A 11 -2.543 8.486 -8.603 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.660 7.664 -9.380 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.388 9.929 -9.036 1.00 0.00 C ATOM 0 H THR A 11 -0.231 8.290 -7.668 1.00 0.00 H new ATOM 0 HA THR A 11 -2.778 9.080 -6.555 1.00 0.00 H new ATOM 0 HB THR A 11 -3.579 8.190 -8.768 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.808 8.131 -9.511 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.610 10.016 -10.100 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.077 10.555 -8.469 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.365 10.256 -8.851 1.00 0.00 H new ATOM 162 N GLU A 12 -4.006 6.606 -6.613 1.00 0.00 N ATOM 163 CA GLU A 12 -4.484 5.269 -6.209 1.00 0.00 C ATOM 164 C GLU A 12 -3.799 4.198 -7.060 1.00 0.00 C ATOM 165 O GLU A 12 -3.325 3.209 -6.546 1.00 0.00 O ATOM 166 CB GLU A 12 -6.037 5.130 -6.321 1.00 0.00 C ATOM 167 CG GLU A 12 -6.573 3.749 -5.871 1.00 0.00 C ATOM 168 CD GLU A 12 -8.078 3.544 -6.061 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.529 3.361 -7.219 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.832 3.477 -5.061 1.00 0.00 O ATOM 0 H GLU A 12 -4.743 7.265 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.226 5.133 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.507 5.906 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.335 5.306 -7.355 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.044 2.973 -6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.333 3.609 -4.817 1.00 0.00 H new ATOM 177 N ALA A 13 -3.672 4.478 -8.348 1.00 0.00 N ATOM 178 CA ALA A 13 -3.069 3.549 -9.307 1.00 0.00 C ATOM 179 C ALA A 13 -1.572 3.305 -9.033 1.00 0.00 C ATOM 180 O ALA A 13 -1.106 2.164 -9.076 1.00 0.00 O ATOM 181 CB ALA A 13 -3.273 4.054 -10.730 1.00 0.00 C ATOM 0 H ALA A 13 -3.983 5.356 -8.764 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.574 2.591 -9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.820 3.355 -11.433 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.340 4.137 -10.937 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.805 5.032 -10.839 1.00 0.00 H new ATOM 187 N GLU A 14 -0.824 4.363 -8.746 1.00 0.00 N ATOM 188 CA GLU A 14 0.628 4.238 -8.489 1.00 0.00 C ATOM 189 C GLU A 14 0.876 3.509 -7.196 1.00 0.00 C ATOM 190 O GLU A 14 1.834 2.740 -7.067 1.00 0.00 O ATOM 191 CB GLU A 14 1.287 5.603 -8.435 1.00 0.00 C ATOM 192 CG GLU A 14 1.188 6.399 -9.708 1.00 0.00 C ATOM 193 CD GLU A 14 1.641 7.811 -9.507 1.00 0.00 C ATOM 194 OE1 GLU A 14 0.815 8.629 -9.059 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.823 8.118 -9.780 1.00 0.00 O ATOM 0 H GLU A 14 -1.184 5.315 -8.683 1.00 0.00 H new ATOM 0 HA GLU A 14 1.063 3.668 -9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.835 6.178 -7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.340 5.474 -8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.794 5.928 -10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.157 6.393 -10.063 1.00 0.00 H new ATOM 202 N PHE A 15 0.017 3.739 -6.251 1.00 0.00 N ATOM 203 CA PHE A 15 0.102 3.083 -4.984 1.00 0.00 C ATOM 204 C PHE A 15 -0.349 1.661 -5.123 1.00 0.00 C ATOM 205 O PHE A 15 0.142 0.797 -4.476 1.00 0.00 O ATOM 206 CB PHE A 15 -0.721 3.816 -3.951 1.00 0.00 C ATOM 207 CG PHE A 15 -0.575 3.261 -2.584 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.485 3.644 -1.796 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.500 2.359 -2.082 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.626 3.147 -0.533 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.363 1.861 -0.819 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.299 2.256 -0.045 1.00 0.00 C ATOM 0 H PHE A 15 -0.765 4.389 -6.338 1.00 0.00 H new ATOM 0 HA PHE A 15 1.138 3.089 -4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.429 4.866 -3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.771 3.779 -4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.212 4.344 -2.180 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.334 2.049 -2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.461 3.453 0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.087 1.160 -0.430 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.189 1.863 0.955 1.00 0.00 H new ATOM 222 N LEU A 16 -1.265 1.432 -5.977 1.00 0.00 N ATOM 223 CA LEU A 16 -1.760 0.103 -6.210 1.00 0.00 C ATOM 224 C LEU A 16 -0.692 -0.738 -6.870 1.00 0.00 C ATOM 225 O LEU A 16 -0.641 -1.957 -6.715 1.00 0.00 O ATOM 226 CB LEU A 16 -3.043 0.209 -7.003 1.00 0.00 C ATOM 227 CG LEU A 16 -3.892 -0.996 -7.055 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.328 -0.583 -7.183 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.537 -1.844 -8.205 1.00 0.00 C ATOM 0 H LEU A 16 -1.707 2.153 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.997 -0.409 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.634 1.024 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.789 0.490 -8.025 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.737 -1.565 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.960 -1.470 -7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.610 0.026 -6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.460 -0.003 -8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.178 -2.725 -8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.674 -1.281 -9.128 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.496 -2.155 -8.120 1.00 0.00 H new ATOM 241 N GLU A 17 0.154 -0.098 -7.577 1.00 0.00 N ATOM 242 CA GLU A 17 1.307 -0.761 -8.072 1.00 0.00 C ATOM 243 C GLU A 17 2.334 -1.036 -6.968 1.00 0.00 C ATOM 244 O GLU A 17 3.163 -1.884 -7.153 1.00 0.00 O ATOM 245 CB GLU A 17 1.942 -0.127 -9.306 1.00 0.00 C ATOM 246 CG GLU A 17 1.116 -0.288 -10.570 1.00 0.00 C ATOM 247 CD GLU A 17 1.901 0.027 -11.817 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.616 -0.863 -12.317 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.812 1.162 -12.338 1.00 0.00 O ATOM 0 H GLU A 17 0.076 0.887 -7.830 1.00 0.00 H new ATOM 0 HA GLU A 17 0.933 -1.721 -8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.098 0.935 -9.118 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.925 -0.570 -9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.743 -1.310 -10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.246 0.367 -10.517 1.00 0.00 H new ATOM 256 N PHE A 18 2.263 -0.307 -5.806 1.00 0.00 N ATOM 257 CA PHE A 18 3.189 -0.572 -4.640 1.00 0.00 C ATOM 258 C PHE A 18 3.096 -2.023 -4.302 1.00 0.00 C ATOM 259 O PHE A 18 4.081 -2.745 -4.269 1.00 0.00 O ATOM 260 CB PHE A 18 2.846 0.291 -3.302 1.00 0.00 C ATOM 261 CG PHE A 18 2.103 -0.444 -2.080 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.706 -0.519 -1.991 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.825 -1.051 -1.047 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.075 -1.177 -0.920 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.184 -1.695 0.008 1.00 0.00 C ATOM 266 CZ PHE A 18 0.821 -1.756 0.066 1.00 0.00 C ATOM 0 H PHE A 18 1.596 0.448 -5.649 1.00 0.00 H new ATOM 0 HA PHE A 18 4.189 -0.271 -4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.783 0.699 -2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.229 1.137 -3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.102 -0.062 -2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.904 -1.019 -1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.003 -1.224 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.772 -2.152 0.790 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.335 -2.260 0.888 1.00 0.00 H new ATOM 276 N VAL A 19 1.882 -2.440 -4.140 1.00 0.00 N ATOM 277 CA VAL A 19 1.580 -3.754 -3.685 1.00 0.00 C ATOM 278 C VAL A 19 1.850 -4.786 -4.759 1.00 0.00 C ATOM 279 O VAL A 19 2.366 -5.872 -4.472 1.00 0.00 O ATOM 280 CB VAL A 19 0.133 -3.836 -3.112 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.931 -3.501 -4.131 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.124 -5.152 -2.426 1.00 0.00 C ATOM 0 H VAL A 19 1.060 -1.865 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 19 2.251 -3.990 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 19 0.063 -3.059 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.915 -3.577 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.779 -2.485 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.868 -4.199 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.144 -5.169 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.008 -5.966 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.578 -5.275 -1.601 1.00 0.00 H new ATOM 292 N LYS A 20 1.545 -4.435 -5.992 1.00 0.00 N ATOM 293 CA LYS A 20 1.824 -5.312 -7.089 1.00 0.00 C ATOM 294 C LYS A 20 3.330 -5.513 -7.218 1.00 0.00 C ATOM 295 O LYS A 20 3.800 -6.623 -7.351 1.00 0.00 O ATOM 296 CB LYS A 20 1.266 -4.782 -8.394 1.00 0.00 C ATOM 297 CG LYS A 20 -0.237 -4.694 -8.410 1.00 0.00 C ATOM 298 CD LYS A 20 -0.736 -4.492 -9.804 1.00 0.00 C ATOM 299 CE LYS A 20 -2.245 -4.431 -9.893 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.718 -4.427 -11.299 1.00 0.00 N ATOM 0 H LYS A 20 1.106 -3.551 -6.249 1.00 0.00 H new ATOM 0 HA LYS A 20 1.337 -6.265 -6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.682 -3.793 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.593 -5.427 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.665 -5.606 -7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.565 -3.870 -7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.317 -3.568 -10.203 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.374 -5.304 -10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.674 -5.285 -9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.602 -3.534 -9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.757 -4.385 -11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.330 -3.599 -11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.399 -5.295 -11.775 1.00 0.00 H new ATOM 314 N LYS A 21 4.065 -4.412 -7.107 1.00 0.00 N ATOM 315 CA LYS A 21 5.528 -4.370 -7.195 1.00 0.00 C ATOM 316 C LYS A 21 6.151 -5.250 -6.130 1.00 0.00 C ATOM 317 O LYS A 21 7.142 -5.901 -6.376 1.00 0.00 O ATOM 318 CB LYS A 21 5.997 -2.909 -7.040 1.00 0.00 C ATOM 319 CG LYS A 21 7.496 -2.643 -7.070 1.00 0.00 C ATOM 320 CD LYS A 21 7.733 -1.138 -6.964 1.00 0.00 C ATOM 321 CE LYS A 21 9.205 -0.750 -7.012 1.00 0.00 C ATOM 322 NZ LYS A 21 9.969 -1.210 -5.825 1.00 0.00 N ATOM 0 H LYS A 21 3.651 -3.494 -6.948 1.00 0.00 H new ATOM 0 HA LYS A 21 5.846 -4.750 -8.166 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.536 -2.322 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.607 -2.529 -6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.987 -3.161 -6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.929 -3.029 -7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.207 -0.637 -7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.300 -0.775 -6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.656 -1.170 -7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.286 0.334 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.962 -0.916 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.561 -0.790 -4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.919 -2.247 -5.761 1.00 0.00 H new ATOM 336 N ILE A 22 5.557 -5.271 -4.965 1.00 0.00 N ATOM 337 CA ILE A 22 6.031 -6.124 -3.891 1.00 0.00 C ATOM 338 C ILE A 22 5.819 -7.591 -4.267 1.00 0.00 C ATOM 339 O ILE A 22 6.743 -8.390 -4.223 1.00 0.00 O ATOM 340 CB ILE A 22 5.306 -5.806 -2.558 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.565 -4.348 -2.178 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.779 -6.744 -1.449 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.851 -3.879 -0.950 1.00 0.00 C ATOM 0 H ILE A 22 4.740 -4.707 -4.729 1.00 0.00 H new ATOM 0 HA ILE A 22 7.095 -5.934 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 22 4.235 -5.958 -2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.636 -4.211 -2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.274 -3.713 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.258 -6.504 -0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.565 -7.775 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.852 -6.623 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.098 -2.834 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.775 -3.977 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.159 -4.483 -0.097 1.00 0.00 H new ATOM 355 N CYS A 23 4.619 -7.896 -4.716 1.00 0.00 N ATOM 356 CA CYS A 23 4.241 -9.251 -5.071 1.00 0.00 C ATOM 357 C CYS A 23 5.061 -9.779 -6.269 1.00 0.00 C ATOM 358 O CYS A 23 5.442 -10.949 -6.305 1.00 0.00 O ATOM 359 CB CYS A 23 2.732 -9.302 -5.373 1.00 0.00 C ATOM 360 SG CYS A 23 2.065 -10.951 -5.709 1.00 0.00 S ATOM 0 H CYS A 23 3.875 -7.210 -4.846 1.00 0.00 H new ATOM 0 HA CYS A 23 4.461 -9.902 -4.225 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.194 -8.876 -4.526 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.529 -8.664 -6.233 1.00 0.00 H new ATOM 0 HG CYS A 23 0.790 -10.863 -5.946 1.00 0.00 H new ATOM 366 N ARG A 24 5.346 -8.917 -7.226 1.00 0.00 N ATOM 367 CA ARG A 24 6.041 -9.331 -8.437 1.00 0.00 C ATOM 368 C ARG A 24 7.563 -9.078 -8.413 1.00 0.00 C ATOM 369 O ARG A 24 8.359 -9.974 -8.688 1.00 0.00 O ATOM 370 CB ARG A 24 5.386 -8.683 -9.670 1.00 0.00 C ATOM 371 CG ARG A 24 5.472 -7.183 -9.759 1.00 0.00 C ATOM 372 CD ARG A 24 4.643 -6.686 -10.908 1.00 0.00 C ATOM 373 NE ARG A 24 4.686 -5.219 -11.033 1.00 0.00 N ATOM 374 CZ ARG A 24 3.671 -4.440 -11.454 1.00 0.00 C ATOM 375 NH1 ARG A 24 2.499 -4.979 -11.807 1.00 0.00 N ATOM 376 NH2 ARG A 24 3.839 -3.123 -11.497 1.00 0.00 N ATOM 0 H ARG A 24 5.109 -7.926 -7.192 1.00 0.00 H new ATOM 0 HA ARG A 24 5.937 -10.414 -8.494 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.845 -9.106 -10.563 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.334 -8.967 -9.688 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.123 -6.735 -8.828 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.510 -6.878 -9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.000 -7.138 -11.833 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.610 -7.007 -10.774 1.00 0.00 H new ATOM 0 HE ARG A 24 5.558 -4.754 -10.779 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.367 -5.989 -11.759 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.737 -4.380 -12.124 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.729 -2.713 -11.213 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.078 -2.522 -11.814 1.00 0.00 H new ATOM 390 N ALA A 25 7.953 -7.901 -8.014 1.00 0.00 N ATOM 391 CA ALA A 25 9.317 -7.424 -8.154 1.00 0.00 C ATOM 392 C ALA A 25 10.053 -7.351 -6.822 1.00 0.00 C ATOM 393 O ALA A 25 11.022 -6.578 -6.699 1.00 0.00 O ATOM 394 CB ALA A 25 9.302 -6.068 -8.838 1.00 0.00 C ATOM 0 H ALA A 25 7.327 -7.227 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 25 9.864 -8.142 -8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.324 -5.704 -8.946 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.844 -6.162 -9.823 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.728 -5.363 -8.237 1.00 0.00 H new ATOM 400 N GLU A 26 9.571 -8.125 -5.836 1.00 0.00 N ATOM 401 CA GLU A 26 10.139 -8.215 -4.464 1.00 0.00 C ATOM 402 C GLU A 26 11.678 -8.063 -4.398 1.00 0.00 C ATOM 403 O GLU A 26 12.191 -7.186 -3.694 1.00 0.00 O ATOM 404 CB GLU A 26 9.703 -9.540 -3.787 1.00 0.00 C ATOM 405 CG GLU A 26 9.952 -10.799 -4.623 1.00 0.00 C ATOM 406 CD GLU A 26 9.662 -12.079 -3.879 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.469 -12.465 -3.752 1.00 0.00 O ATOM 408 OE2 GLU A 26 10.606 -12.738 -3.429 1.00 0.00 O ATOM 0 H GLU A 26 8.755 -8.724 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 26 9.733 -7.362 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.232 -9.639 -2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.640 -9.480 -3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.332 -10.760 -5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.991 -10.807 -4.954 1.00 0.00 H new ATOM 415 N GLY A 27 12.390 -8.864 -5.158 1.00 0.00 N ATOM 416 CA GLY A 27 13.819 -8.840 -5.128 1.00 0.00 C ATOM 417 C GLY A 27 14.357 -10.224 -5.297 1.00 0.00 C ATOM 418 O GLY A 27 14.094 -10.865 -6.311 1.00 0.00 O ATOM 0 H GLY A 27 11.991 -9.542 -5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.197 -8.195 -5.921 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.164 -8.420 -4.183 1.00 0.00 H new ATOM 422 N ALA A 28 15.069 -10.708 -4.312 1.00 0.00 N ATOM 423 CA ALA A 28 15.627 -12.042 -4.372 1.00 0.00 C ATOM 424 C ALA A 28 15.106 -12.880 -3.225 1.00 0.00 C ATOM 425 O ALA A 28 14.754 -14.041 -3.392 1.00 0.00 O ATOM 426 CB ALA A 28 17.140 -11.981 -4.329 1.00 0.00 C ATOM 0 H ALA A 28 15.279 -10.199 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 28 15.322 -12.505 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.546 -12.991 -4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.505 -11.404 -5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.459 -11.504 -3.402 1.00 0.00 H new ATOM 432 N THR A 29 15.036 -12.289 -2.082 1.00 0.00 N ATOM 433 CA THR A 29 14.599 -12.953 -0.890 1.00 0.00 C ATOM 434 C THR A 29 13.422 -12.205 -0.264 1.00 0.00 C ATOM 435 O THR A 29 13.125 -11.069 -0.665 1.00 0.00 O ATOM 436 CB THR A 29 15.779 -13.095 0.095 1.00 0.00 C ATOM 437 OG1 THR A 29 16.626 -11.918 0.034 1.00 0.00 O ATOM 438 CG2 THR A 29 16.607 -14.329 -0.222 1.00 0.00 C ATOM 0 H THR A 29 15.285 -11.310 -1.941 1.00 0.00 H new ATOM 0 HA THR A 29 14.250 -13.955 -1.141 1.00 0.00 H new ATOM 0 HB THR A 29 15.368 -13.198 1.099 1.00 0.00 H new ATOM 0 HG1 THR A 29 16.090 -11.143 -0.237 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.432 -14.406 0.487 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.980 -15.217 -0.146 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.004 -14.251 -1.234 1.00 0.00 H new ATOM 446 N GLU A 30 12.773 -12.802 0.726 1.00 0.00 N ATOM 447 CA GLU A 30 11.587 -12.196 1.316 1.00 0.00 C ATOM 448 C GLU A 30 11.925 -10.967 2.158 1.00 0.00 C ATOM 449 O GLU A 30 11.057 -10.185 2.494 1.00 0.00 O ATOM 450 CB GLU A 30 10.732 -13.212 2.088 1.00 0.00 C ATOM 451 CG GLU A 30 11.410 -13.861 3.267 1.00 0.00 C ATOM 452 CD GLU A 30 10.496 -14.798 3.998 1.00 0.00 C ATOM 453 OE1 GLU A 30 9.733 -14.334 4.865 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.530 -16.031 3.732 1.00 0.00 O ATOM 0 H GLU A 30 13.044 -13.697 1.134 1.00 0.00 H new ATOM 0 HA GLU A 30 10.974 -11.846 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.830 -12.710 2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.414 -13.993 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.289 -14.407 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.761 -13.090 3.952 1.00 0.00 H new ATOM 461 N GLU A 31 13.193 -10.800 2.486 1.00 0.00 N ATOM 462 CA GLU A 31 13.644 -9.596 3.169 1.00 0.00 C ATOM 463 C GLU A 31 13.580 -8.405 2.200 1.00 0.00 C ATOM 464 O GLU A 31 13.352 -7.272 2.608 1.00 0.00 O ATOM 465 CB GLU A 31 15.076 -9.757 3.677 1.00 0.00 C ATOM 466 CG GLU A 31 16.079 -10.036 2.573 1.00 0.00 C ATOM 467 CD GLU A 31 17.488 -10.011 3.045 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.984 -11.051 3.519 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.139 -8.955 2.938 1.00 0.00 O ATOM 0 H GLU A 31 13.929 -11.479 2.292 1.00 0.00 H new ATOM 0 HA GLU A 31 12.991 -9.421 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.371 -8.850 4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.108 -10.571 4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.866 -11.011 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.954 -9.297 1.782 1.00 0.00 H new ATOM 476 N ASP A 32 13.752 -8.684 0.903 1.00 0.00 N ATOM 477 CA ASP A 32 13.718 -7.640 -0.115 1.00 0.00 C ATOM 478 C ASP A 32 12.287 -7.204 -0.277 1.00 0.00 C ATOM 479 O ASP A 32 11.990 -6.019 -0.412 1.00 0.00 O ATOM 480 CB ASP A 32 14.279 -8.120 -1.465 1.00 0.00 C ATOM 481 CG ASP A 32 15.698 -8.636 -1.405 1.00 0.00 C ATOM 482 OD1 ASP A 32 16.651 -7.841 -1.299 1.00 0.00 O ATOM 483 OD2 ASP A 32 15.885 -9.863 -1.483 1.00 0.00 O ATOM 0 H ASP A 32 13.915 -9.623 0.539 1.00 0.00 H new ATOM 0 HA ASP A 32 14.350 -6.812 0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.635 -8.909 -1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.235 -7.295 -2.176 1.00 0.00 H new ATOM 488 N ASP A 33 11.412 -8.195 -0.223 1.00 0.00 N ATOM 489 CA ASP A 33 9.951 -8.020 -0.208 1.00 0.00 C ATOM 490 C ASP A 33 9.599 -7.134 0.975 1.00 0.00 C ATOM 491 O ASP A 33 9.008 -6.062 0.837 1.00 0.00 O ATOM 492 CB ASP A 33 9.319 -9.419 -0.008 1.00 0.00 C ATOM 493 CG ASP A 33 7.801 -9.463 0.117 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.261 -9.199 1.215 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.142 -9.873 -0.860 1.00 0.00 O ATOM 0 H ASP A 33 11.696 -9.174 -0.187 1.00 0.00 H new ATOM 0 HA ASP A 33 9.588 -7.568 -1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.611 -10.050 -0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.749 -9.863 0.890 1.00 0.00 H new ATOM 500 N ASN A 34 10.068 -7.573 2.119 1.00 0.00 N ATOM 501 CA ASN A 34 9.884 -6.930 3.408 1.00 0.00 C ATOM 502 C ASN A 34 10.337 -5.473 3.434 1.00 0.00 C ATOM 503 O ASN A 34 9.600 -4.613 3.893 1.00 0.00 O ATOM 504 CB ASN A 34 10.631 -7.736 4.456 1.00 0.00 C ATOM 505 CG ASN A 34 10.671 -7.111 5.818 1.00 0.00 C ATOM 506 OD1 ASN A 34 11.561 -6.335 6.133 1.00 0.00 O ATOM 507 ND2 ASN A 34 9.773 -7.494 6.638 1.00 0.00 N ATOM 0 H ASN A 34 10.616 -8.431 2.184 1.00 0.00 H new ATOM 0 HA ASN A 34 8.815 -6.908 3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.168 -8.719 4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.654 -7.892 4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.780 -7.151 7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.048 -8.143 6.333 1.00 0.00 H new ATOM 514 N LYS A 35 11.534 -5.185 2.942 1.00 0.00 N ATOM 515 CA LYS A 35 12.026 -3.812 2.981 1.00 0.00 C ATOM 516 C LYS A 35 11.221 -2.896 2.060 1.00 0.00 C ATOM 517 O LYS A 35 11.191 -1.670 2.266 1.00 0.00 O ATOM 518 CB LYS A 35 13.534 -3.709 2.711 1.00 0.00 C ATOM 519 CG LYS A 35 13.982 -4.151 1.333 1.00 0.00 C ATOM 520 CD LYS A 35 15.492 -4.054 1.200 1.00 0.00 C ATOM 521 CE LYS A 35 15.968 -4.472 -0.181 1.00 0.00 C ATOM 522 NZ LYS A 35 17.431 -4.362 -0.306 1.00 0.00 N ATOM 0 H LYS A 35 12.169 -5.863 2.521 1.00 0.00 H new ATOM 0 HA LYS A 35 11.876 -3.464 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.842 -2.674 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.060 -4.308 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.662 -5.177 1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.505 -3.531 0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.809 -3.030 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.964 -4.685 1.953 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.662 -5.500 -0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.490 -3.848 -0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.721 -4.655 -1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.720 -3.376 -0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.887 -4.977 0.398 1.00 0.00 H new ATOM 536 N LEU A 36 10.579 -3.468 1.042 1.00 0.00 N ATOM 537 CA LEU A 36 9.661 -2.694 0.233 1.00 0.00 C ATOM 538 C LEU A 36 8.472 -2.387 1.092 1.00 0.00 C ATOM 539 O LEU A 36 8.165 -1.228 1.343 1.00 0.00 O ATOM 540 CB LEU A 36 9.202 -3.440 -1.036 1.00 0.00 C ATOM 541 CG LEU A 36 10.285 -3.814 -2.038 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.679 -4.578 -3.204 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.983 -2.567 -2.535 1.00 0.00 C ATOM 0 H LEU A 36 10.679 -4.445 0.768 1.00 0.00 H new ATOM 0 HA LEU A 36 10.168 -1.792 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.693 -4.353 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.465 -2.821 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 36 11.017 -4.454 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.463 -4.840 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.204 -5.487 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.934 -3.955 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.756 -2.844 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.258 -1.912 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.438 -2.045 -1.693 1.00 0.00 H new ATOM 555 N VAL A 37 7.881 -3.448 1.626 1.00 0.00 N ATOM 556 CA VAL A 37 6.704 -3.372 2.484 1.00 0.00 C ATOM 557 C VAL A 37 6.895 -2.340 3.600 1.00 0.00 C ATOM 558 O VAL A 37 6.053 -1.472 3.805 1.00 0.00 O ATOM 559 CB VAL A 37 6.385 -4.747 3.137 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.151 -4.623 3.981 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.168 -5.820 2.093 1.00 0.00 C ATOM 0 H VAL A 37 8.211 -4.401 1.473 1.00 0.00 H new ATOM 0 HA VAL A 37 5.874 -3.072 1.844 1.00 0.00 H new ATOM 0 HB VAL A 37 7.238 -5.036 3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.926 -5.586 4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.317 -3.880 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.313 -4.313 3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.947 -6.767 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.332 -5.540 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.068 -5.927 1.488 1.00 0.00 H new ATOM 571 N ARG A 38 8.026 -2.415 4.266 1.00 0.00 N ATOM 572 CA ARG A 38 8.331 -1.543 5.382 1.00 0.00 C ATOM 573 C ARG A 38 8.383 -0.064 5.028 1.00 0.00 C ATOM 574 O ARG A 38 7.969 0.763 5.839 1.00 0.00 O ATOM 575 CB ARG A 38 9.581 -1.983 6.136 1.00 0.00 C ATOM 576 CG ARG A 38 9.379 -3.269 6.900 1.00 0.00 C ATOM 577 CD ARG A 38 10.566 -3.609 7.772 1.00 0.00 C ATOM 578 NE ARG A 38 10.257 -4.717 8.694 1.00 0.00 N ATOM 579 CZ ARG A 38 11.167 -5.440 9.365 1.00 0.00 C ATOM 580 NH1 ARG A 38 12.467 -5.205 9.190 1.00 0.00 N ATOM 581 NH2 ARG A 38 10.776 -6.394 10.203 1.00 0.00 N ATOM 0 H ARG A 38 8.764 -3.085 4.049 1.00 0.00 H new ATOM 0 HA ARG A 38 7.480 -1.651 6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.401 -2.110 5.429 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.878 -1.196 6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.487 -3.184 7.521 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.202 -4.083 6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.414 -3.882 7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.863 -2.730 8.344 1.00 0.00 H new ATOM 0 HE ARG A 38 9.274 -4.953 8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.771 -4.475 8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.158 -5.755 9.700 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.782 -6.579 10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.470 -6.942 10.712 1.00 0.00 H new ATOM 595 N GLU A 39 8.840 0.295 3.818 1.00 0.00 N ATOM 596 CA GLU A 39 8.869 1.714 3.479 1.00 0.00 C ATOM 597 C GLU A 39 7.436 2.182 3.270 1.00 0.00 C ATOM 598 O GLU A 39 7.059 3.296 3.653 1.00 0.00 O ATOM 599 CB GLU A 39 9.733 2.055 2.228 1.00 0.00 C ATOM 600 CG GLU A 39 9.099 1.736 0.880 1.00 0.00 C ATOM 601 CD GLU A 39 9.876 2.309 -0.269 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.822 3.550 -0.482 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.550 1.540 -0.983 1.00 0.00 O ATOM 0 H GLU A 39 9.176 -0.343 3.097 1.00 0.00 H new ATOM 0 HA GLU A 39 9.346 2.237 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.973 3.118 2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.676 1.514 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.027 0.655 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.082 2.128 0.858 1.00 0.00 H new ATOM 610 N PHE A 40 6.628 1.288 2.723 1.00 0.00 N ATOM 611 CA PHE A 40 5.257 1.567 2.440 1.00 0.00 C ATOM 612 C PHE A 40 4.429 1.610 3.715 1.00 0.00 C ATOM 613 O PHE A 40 3.552 2.449 3.835 1.00 0.00 O ATOM 614 CB PHE A 40 4.688 0.597 1.411 1.00 0.00 C ATOM 615 CG PHE A 40 5.335 0.705 0.040 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.195 1.851 -0.730 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.072 -0.342 -0.473 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.784 1.938 -1.984 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.657 -0.266 -1.718 1.00 0.00 C ATOM 620 CZ PHE A 40 6.517 0.869 -2.476 1.00 0.00 C ATOM 0 H PHE A 40 6.922 0.345 2.466 1.00 0.00 H new ATOM 0 HA PHE A 40 5.204 2.560 1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.809 -0.421 1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.617 0.775 1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.622 2.684 -0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.193 -1.241 0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.672 2.835 -2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.227 -1.101 -2.098 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.976 0.929 -3.452 1.00 0.00 H new ATOM 630 N GLU A 41 4.722 0.724 4.683 1.00 0.00 N ATOM 631 CA GLU A 41 4.088 0.770 6.008 1.00 0.00 C ATOM 632 C GLU A 41 4.316 2.110 6.683 1.00 0.00 C ATOM 633 O GLU A 41 3.485 2.572 7.448 1.00 0.00 O ATOM 634 CB GLU A 41 4.593 -0.331 6.930 1.00 0.00 C ATOM 635 CG GLU A 41 3.999 -1.704 6.701 1.00 0.00 C ATOM 636 CD GLU A 41 4.481 -2.706 7.725 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.684 -3.012 7.761 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.649 -3.164 8.573 1.00 0.00 O ATOM 0 H GLU A 41 5.396 -0.033 4.570 1.00 0.00 H new ATOM 0 HA GLU A 41 3.022 0.620 5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.675 -0.401 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.393 -0.036 7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.912 -1.640 6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.262 -2.051 5.702 1.00 0.00 H new ATOM 645 N ARG A 42 5.442 2.723 6.396 1.00 0.00 N ATOM 646 CA ARG A 42 5.768 4.029 6.954 1.00 0.00 C ATOM 647 C ARG A 42 5.065 5.134 6.176 1.00 0.00 C ATOM 648 O ARG A 42 4.653 6.130 6.751 1.00 0.00 O ATOM 649 CB ARG A 42 7.274 4.261 6.946 1.00 0.00 C ATOM 650 CG ARG A 42 8.083 3.262 7.752 1.00 0.00 C ATOM 651 CD ARG A 42 9.573 3.566 7.674 1.00 0.00 C ATOM 652 NE ARG A 42 9.901 4.895 8.218 1.00 0.00 N ATOM 653 CZ ARG A 42 11.136 5.313 8.557 1.00 0.00 C ATOM 654 NH1 ARG A 42 12.190 4.508 8.418 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.309 6.544 9.039 1.00 0.00 N ATOM 0 H ARG A 42 6.156 2.340 5.776 1.00 0.00 H new ATOM 0 HA ARG A 42 5.420 4.050 7.987 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.624 4.240 5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.474 5.261 7.330 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.759 3.284 8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.895 2.255 7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.126 2.804 8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.899 3.510 6.635 1.00 0.00 H new ATOM 0 HE ARG A 42 9.131 5.551 8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.066 3.564 8.051 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.120 4.836 8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.508 7.166 9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.242 6.864 9.297 1.00 0.00 H new ATOM 669 N LEU A 43 4.927 4.951 4.874 1.00 0.00 N ATOM 670 CA LEU A 43 4.242 5.928 4.032 1.00 0.00 C ATOM 671 C LEU A 43 2.768 5.953 4.350 1.00 0.00 C ATOM 672 O LEU A 43 2.160 7.012 4.489 1.00 0.00 O ATOM 673 CB LEU A 43 4.449 5.616 2.546 1.00 0.00 C ATOM 674 CG LEU A 43 5.880 5.718 2.039 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.951 5.353 0.567 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.413 7.117 2.268 1.00 0.00 C ATOM 0 H LEU A 43 5.279 4.135 4.373 1.00 0.00 H new ATOM 0 HA LEU A 43 4.670 6.909 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.087 4.606 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.828 6.295 1.962 1.00 0.00 H new ATOM 0 HG LEU A 43 6.499 5.013 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.982 5.432 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.599 4.331 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.323 6.034 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.438 7.180 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.792 7.835 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.394 7.344 3.334 1.00 0.00 H new ATOM 688 N THR A 44 2.217 4.780 4.484 1.00 0.00 N ATOM 689 CA THR A 44 0.830 4.608 4.780 1.00 0.00 C ATOM 690 C THR A 44 0.554 4.918 6.219 1.00 0.00 C ATOM 691 O THR A 44 -0.532 5.415 6.556 1.00 0.00 O ATOM 692 CB THR A 44 0.413 3.154 4.521 1.00 0.00 C ATOM 693 OG1 THR A 44 1.280 2.265 5.239 1.00 0.00 O ATOM 694 CG2 THR A 44 0.484 2.820 3.072 1.00 0.00 C ATOM 0 H THR A 44 2.731 3.904 4.388 1.00 0.00 H new ATOM 0 HA THR A 44 0.266 5.287 4.140 1.00 0.00 H new ATOM 0 HB THR A 44 -0.617 3.039 4.860 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.066 2.060 4.690 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.182 1.783 2.922 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.184 3.476 2.514 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.506 2.956 2.717 1.00 0.00 H new ATOM 702 N GLU A 45 1.560 4.622 7.063 1.00 0.00 N ATOM 703 CA GLU A 45 1.445 4.653 8.508 1.00 0.00 C ATOM 704 C GLU A 45 0.383 3.633 8.886 1.00 0.00 C ATOM 705 O GLU A 45 -0.284 3.734 9.912 1.00 0.00 O ATOM 706 CB GLU A 45 1.101 6.055 9.015 1.00 0.00 C ATOM 707 CG GLU A 45 2.117 7.105 8.626 1.00 0.00 C ATOM 708 CD GLU A 45 1.817 8.464 9.193 1.00 0.00 C ATOM 709 OE1 GLU A 45 1.106 9.260 8.538 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.321 8.781 10.295 1.00 0.00 O ATOM 0 H GLU A 45 2.488 4.351 6.739 1.00 0.00 H new ATOM 0 HA GLU A 45 2.396 4.401 8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.125 6.344 8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.016 6.029 10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.104 6.788 8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.159 7.174 7.539 1.00 0.00 H new ATOM 717 N HIS A 46 0.265 2.614 8.029 1.00 0.00 N ATOM 718 CA HIS A 46 -0.725 1.618 8.189 1.00 0.00 C ATOM 719 C HIS A 46 -0.186 0.499 9.083 1.00 0.00 C ATOM 720 O HIS A 46 0.849 -0.100 8.793 1.00 0.00 O ATOM 721 CB HIS A 46 -1.228 1.072 6.820 1.00 0.00 C ATOM 722 CG HIS A 46 -2.464 0.247 6.953 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.488 -0.957 7.590 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.749 0.557 6.693 1.00 0.00 C ATOM 725 CE1 HIS A 46 -3.753 -1.319 7.742 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.565 -0.444 7.202 1.00 0.00 N ATOM 0 H HIS A 46 0.866 2.483 7.215 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.592 2.066 8.674 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.424 1.908 6.149 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.442 0.472 6.361 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.089 1.441 6.173 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.074 -2.219 8.246 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.583 -0.489 7.164 1.00 0.00 H new ATOM 734 N PRO A 47 -0.941 0.183 10.135 1.00 0.00 N ATOM 735 CA PRO A 47 -0.569 -0.769 11.176 1.00 0.00 C ATOM 736 C PRO A 47 -0.248 -2.132 10.665 1.00 0.00 C ATOM 737 O PRO A 47 0.773 -2.707 10.991 1.00 0.00 O ATOM 738 CB PRO A 47 -1.827 -0.856 12.034 1.00 0.00 C ATOM 739 CG PRO A 47 -2.897 -0.160 11.315 1.00 0.00 C ATOM 740 CD PRO A 47 -2.246 0.761 10.390 1.00 0.00 C ATOM 0 HA PRO A 47 0.332 -0.437 11.691 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.098 -1.896 12.213 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.659 -0.398 13.009 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.527 -0.868 10.777 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.543 0.379 12.008 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.818 0.864 9.468 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.158 1.757 10.823 1.00 0.00 H new ATOM 748 N ASP A 48 -1.117 -2.623 9.841 1.00 0.00 N ATOM 749 CA ASP A 48 -1.033 -3.950 9.344 1.00 0.00 C ATOM 750 C ASP A 48 -0.559 -3.900 7.941 1.00 0.00 C ATOM 751 O ASP A 48 -0.801 -4.815 7.181 1.00 0.00 O ATOM 752 CB ASP A 48 -2.404 -4.610 9.338 1.00 0.00 C ATOM 753 CG ASP A 48 -3.080 -4.626 10.660 1.00 0.00 C ATOM 754 OD1 ASP A 48 -2.768 -5.492 11.490 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.001 -3.826 10.863 1.00 0.00 O ATOM 0 H ASP A 48 -1.919 -2.099 9.491 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.354 -4.517 9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.042 -4.090 8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.299 -5.636 8.984 1.00 0.00 H new ATOM 760 N GLY A 49 0.127 -2.811 7.592 1.00 0.00 N ATOM 761 CA GLY A 49 0.620 -2.606 6.192 1.00 0.00 C ATOM 762 C GLY A 49 1.387 -3.758 5.627 1.00 0.00 C ATOM 763 O GLY A 49 1.436 -3.935 4.420 1.00 0.00 O ATOM 0 H GLY A 49 0.361 -2.055 8.236 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.234 -2.404 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.253 -1.719 6.170 1.00 0.00 H new ATOM 767 N SER A 50 1.947 -4.539 6.473 1.00 0.00 N ATOM 768 CA SER A 50 2.610 -5.720 6.032 1.00 0.00 C ATOM 769 C SER A 50 1.606 -6.846 5.836 1.00 0.00 C ATOM 770 O SER A 50 1.428 -7.329 4.714 1.00 0.00 O ATOM 771 CB SER A 50 3.735 -6.069 6.984 1.00 0.00 C ATOM 772 OG SER A 50 3.333 -5.817 8.316 1.00 0.00 O ATOM 0 H SER A 50 1.963 -4.386 7.481 1.00 0.00 H new ATOM 0 HA SER A 50 3.070 -5.550 5.059 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.008 -7.118 6.869 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.621 -5.481 6.745 1.00 0.00 H new ATOM 0 HG SER A 50 3.607 -4.912 8.575 1.00 0.00 H new ATOM 778 N ASP A 51 0.883 -7.186 6.909 1.00 0.00 N ATOM 779 CA ASP A 51 -0.123 -8.263 6.904 1.00 0.00 C ATOM 780 C ASP A 51 -1.142 -8.114 5.786 1.00 0.00 C ATOM 781 O ASP A 51 -1.607 -9.099 5.273 1.00 0.00 O ATOM 782 CB ASP A 51 -0.860 -8.386 8.249 1.00 0.00 C ATOM 783 CG ASP A 51 0.011 -8.851 9.392 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.265 -10.071 9.523 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.443 -8.001 10.207 1.00 0.00 O ATOM 0 H ASP A 51 0.977 -6.721 7.812 1.00 0.00 H new ATOM 0 HA ASP A 51 0.446 -9.176 6.731 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.290 -7.417 8.505 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.690 -9.082 8.133 1.00 0.00 H new ATOM 790 N LEU A 52 -1.451 -6.874 5.389 1.00 0.00 N ATOM 791 CA LEU A 52 -2.410 -6.595 4.292 1.00 0.00 C ATOM 792 C LEU A 52 -2.009 -7.297 3.017 1.00 0.00 C ATOM 793 O LEU A 52 -2.840 -7.836 2.297 1.00 0.00 O ATOM 794 CB LEU A 52 -2.455 -5.103 3.959 1.00 0.00 C ATOM 795 CG LEU A 52 -2.868 -4.145 5.046 1.00 0.00 C ATOM 796 CD1 LEU A 52 -2.856 -2.756 4.477 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.246 -4.493 5.591 1.00 0.00 C ATOM 0 H LEU A 52 -1.051 -6.035 5.810 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.378 -6.949 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.464 -4.808 3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.138 -4.969 3.120 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.169 -4.213 5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.152 -2.045 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.852 -2.515 4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.555 -2.699 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.517 -3.785 6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.979 -4.442 4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.230 -5.502 6.004 1.00 0.00 H new ATOM 809 N ILE A 53 -0.719 -7.313 2.766 1.00 0.00 N ATOM 810 CA ILE A 53 -0.193 -7.820 1.514 1.00 0.00 C ATOM 811 C ILE A 53 -0.245 -9.320 1.498 1.00 0.00 C ATOM 812 O ILE A 53 -0.436 -9.966 0.456 1.00 0.00 O ATOM 813 CB ILE A 53 1.254 -7.326 1.320 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.256 -5.802 1.365 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.853 -7.835 -0.001 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.622 -5.202 1.388 1.00 0.00 C ATOM 0 H ILE A 53 -0.008 -6.978 3.417 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.805 -7.448 0.692 1.00 0.00 H new ATOM 0 HB ILE A 53 1.878 -7.722 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.717 -5.421 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.710 -5.473 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.874 -7.467 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.859 -8.925 -0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.252 -7.475 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.542 -4.115 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.158 -5.552 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.165 -5.500 0.491 1.00 0.00 H new ATOM 828 N TYR A 54 -0.153 -9.862 2.654 1.00 0.00 N ATOM 829 CA TYR A 54 -0.092 -11.263 2.813 1.00 0.00 C ATOM 830 C TYR A 54 -1.491 -11.851 3.040 1.00 0.00 C ATOM 831 O TYR A 54 -1.816 -12.931 2.539 1.00 0.00 O ATOM 832 CB TYR A 54 0.840 -11.579 3.973 1.00 0.00 C ATOM 833 CG TYR A 54 2.224 -10.956 3.839 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.074 -11.281 2.789 1.00 0.00 C ATOM 835 CD2 TYR A 54 2.659 -10.018 4.750 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.319 -10.681 2.669 1.00 0.00 C ATOM 837 CE2 TYR A 54 3.892 -9.414 4.634 1.00 0.00 C ATOM 838 CZ TYR A 54 4.716 -9.745 3.597 1.00 0.00 C ATOM 839 OH TYR A 54 5.953 -9.142 3.497 1.00 0.00 O ATOM 0 H TYR A 54 -0.118 -9.337 3.528 1.00 0.00 H new ATOM 0 HA TYR A 54 0.298 -11.721 1.904 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.383 -11.230 4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.946 -12.661 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.761 -12.010 2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.017 -9.749 5.576 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.973 -10.947 1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.206 -8.680 5.362 1.00 0.00 H new ATOM 0 HH TYR A 54 6.409 -9.463 2.692 1.00 0.00 H new ATOM 849 N TYR A 55 -2.322 -11.134 3.763 1.00 0.00 N ATOM 850 CA TYR A 55 -3.640 -11.610 4.119 1.00 0.00 C ATOM 851 C TYR A 55 -4.688 -10.501 3.990 1.00 0.00 C ATOM 852 O TYR A 55 -4.813 -9.665 4.889 1.00 0.00 O ATOM 853 CB TYR A 55 -3.654 -12.143 5.576 1.00 0.00 C ATOM 854 CG TYR A 55 -2.618 -13.207 5.855 1.00 0.00 C ATOM 855 CD1 TYR A 55 -2.793 -14.498 5.396 1.00 0.00 C ATOM 856 CD2 TYR A 55 -1.451 -12.911 6.561 1.00 0.00 C ATOM 857 CE1 TYR A 55 -1.850 -15.467 5.621 1.00 0.00 C ATOM 858 CE2 TYR A 55 -0.500 -13.886 6.795 1.00 0.00 C ATOM 859 CZ TYR A 55 -0.708 -15.164 6.320 1.00 0.00 C ATOM 860 OH TYR A 55 0.242 -16.143 6.527 1.00 0.00 O ATOM 0 H TYR A 55 -2.103 -10.204 4.121 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.888 -12.416 3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.494 -11.308 6.258 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.642 -12.548 5.794 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.690 -14.749 4.849 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.289 -11.908 6.929 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.005 -16.469 5.248 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.399 -13.649 7.345 1.00 0.00 H new ATOM 0 HH TYR A 55 0.991 -15.770 7.037 1.00 0.00 H new ATOM 870 N PRO A 56 -5.391 -10.429 2.844 1.00 0.00 N ATOM 871 CA PRO A 56 -6.559 -9.545 2.693 1.00 0.00 C ATOM 872 C PRO A 56 -7.626 -10.012 3.676 1.00 0.00 C ATOM 873 O PRO A 56 -7.860 -11.226 3.799 1.00 0.00 O ATOM 874 CB PRO A 56 -7.014 -9.796 1.248 1.00 0.00 C ATOM 875 CG PRO A 56 -5.809 -10.349 0.572 1.00 0.00 C ATOM 876 CD PRO A 56 -5.091 -11.154 1.611 1.00 0.00 C ATOM 0 HA PRO A 56 -6.359 -8.491 2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.848 -10.497 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.350 -8.875 0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.089 -10.970 -0.279 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.174 -9.550 0.189 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.452 -12.182 1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.019 -11.199 1.419 1.00 0.00 H new ATOM 884 N ARG A 57 -8.265 -9.096 4.367 1.00 0.00 N ATOM 885 CA ARG A 57 -9.108 -9.486 5.481 1.00 0.00 C ATOM 886 C ARG A 57 -10.507 -10.036 5.174 1.00 0.00 C ATOM 887 O ARG A 57 -10.660 -11.055 4.501 1.00 0.00 O ATOM 888 CB ARG A 57 -9.139 -8.382 6.501 1.00 0.00 C ATOM 889 CG ARG A 57 -7.820 -8.291 7.236 1.00 0.00 C ATOM 890 CD ARG A 57 -7.792 -7.252 8.332 1.00 0.00 C ATOM 891 NE ARG A 57 -6.641 -7.510 9.199 1.00 0.00 N ATOM 892 CZ ARG A 57 -5.870 -6.621 9.804 1.00 0.00 C ATOM 893 NH1 ARG A 57 -6.125 -5.313 9.729 1.00 0.00 N ATOM 894 NH2 ARG A 57 -4.834 -7.061 10.509 1.00 0.00 N ATOM 0 H ARG A 57 -8.222 -8.093 4.185 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.623 -10.376 5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.353 -7.433 6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.945 -8.561 7.213 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.590 -9.265 7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.031 -8.067 6.518 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.724 -6.252 7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.715 -7.289 8.910 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.406 -8.490 9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.929 -4.980 9.197 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.516 -4.647 10.204 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.649 -8.062 10.574 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.223 -6.398 10.986 1.00 0.00 H new ATOM 908 N ASP A 58 -11.515 -9.337 5.615 1.00 0.00 N ATOM 909 CA ASP A 58 -12.881 -9.845 5.541 1.00 0.00 C ATOM 910 C ASP A 58 -13.625 -9.120 4.481 1.00 0.00 C ATOM 911 O ASP A 58 -14.286 -9.714 3.636 1.00 0.00 O ATOM 912 CB ASP A 58 -13.581 -9.657 6.885 1.00 0.00 C ATOM 913 CG ASP A 58 -14.924 -10.336 6.946 1.00 0.00 C ATOM 914 OD1 ASP A 58 -15.952 -9.711 6.595 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.979 -11.514 7.375 1.00 0.00 O ATOM 0 H ASP A 58 -11.429 -8.410 6.033 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.855 -10.908 5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.945 -10.049 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.709 -8.592 7.076 1.00 0.00 H new ATOM 920 N ASP A 59 -13.474 -7.814 4.503 1.00 0.00 N ATOM 921 CA ASP A 59 -14.068 -6.937 3.508 1.00 0.00 C ATOM 922 C ASP A 59 -13.351 -7.124 2.223 1.00 0.00 C ATOM 923 O ASP A 59 -13.859 -6.803 1.158 1.00 0.00 O ATOM 924 CB ASP A 59 -13.878 -5.455 3.872 1.00 0.00 C ATOM 925 CG ASP A 59 -14.511 -5.027 5.152 1.00 0.00 C ATOM 926 OD1 ASP A 59 -13.850 -5.099 6.193 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.658 -4.569 5.141 1.00 0.00 O ATOM 0 H ASP A 59 -12.933 -7.324 5.215 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.129 -7.182 3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.810 -5.245 3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.282 -4.845 3.064 1.00 0.00 H new ATOM 932 N ARG A 60 -12.141 -7.628 2.316 1.00 0.00 N ATOM 933 CA ARG A 60 -11.308 -7.658 1.173 1.00 0.00 C ATOM 934 C ARG A 60 -11.351 -8.852 0.340 1.00 0.00 C ATOM 935 O ARG A 60 -11.443 -9.995 0.798 1.00 0.00 O ATOM 936 CB ARG A 60 -9.891 -7.251 1.471 1.00 0.00 C ATOM 937 CG ARG A 60 -9.820 -5.876 2.006 1.00 0.00 C ATOM 938 CD ARG A 60 -10.374 -4.857 1.006 1.00 0.00 C ATOM 939 NE ARG A 60 -10.821 -3.628 1.672 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.975 -2.992 1.400 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.732 -3.376 0.365 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.353 -1.954 2.138 1.00 0.00 N ATOM 0 H ARG A 60 -11.731 -8.014 3.167 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.775 -6.897 0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.457 -7.945 2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.294 -7.319 0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.383 -5.817 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.785 -5.629 2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.606 -4.614 0.272 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.208 -5.299 0.461 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.216 -3.229 2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.435 -4.155 -0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.606 -2.890 0.164 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.768 -1.638 2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.228 -1.473 1.931 1.00 0.00 H new ATOM 956 N GLU A 61 -11.309 -8.537 -0.893 1.00 0.00 N ATOM 957 CA GLU A 61 -11.107 -9.421 -1.944 1.00 0.00 C ATOM 958 C GLU A 61 -9.600 -9.580 -2.063 1.00 0.00 C ATOM 959 O GLU A 61 -8.847 -8.638 -1.754 1.00 0.00 O ATOM 960 CB GLU A 61 -11.679 -8.776 -3.202 1.00 0.00 C ATOM 961 CG GLU A 61 -11.267 -9.441 -4.473 1.00 0.00 C ATOM 962 CD GLU A 61 -11.785 -10.855 -4.621 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.247 -11.787 -3.981 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.738 -11.068 -5.396 1.00 0.00 O ATOM 0 H GLU A 61 -11.426 -7.574 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.584 -10.390 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.767 -8.783 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.369 -7.732 -3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.620 -8.845 -5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.178 -9.456 -4.528 1.00 0.00 H new ATOM 971 N ASP A 62 -9.155 -10.724 -2.477 1.00 0.00 N ATOM 972 CA ASP A 62 -7.745 -10.965 -2.614 1.00 0.00 C ATOM 973 C ASP A 62 -7.259 -10.435 -3.944 1.00 0.00 C ATOM 974 O ASP A 62 -7.215 -11.157 -4.946 1.00 0.00 O ATOM 975 CB ASP A 62 -7.400 -12.456 -2.433 1.00 0.00 C ATOM 976 CG ASP A 62 -5.920 -12.776 -2.635 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.106 -12.552 -1.713 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.552 -13.309 -3.701 1.00 0.00 O ATOM 0 H ASP A 62 -9.749 -11.514 -2.729 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.226 -10.430 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.696 -12.769 -1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.989 -13.044 -3.138 1.00 0.00 H new ATOM 983 N SER A 63 -7.033 -9.152 -3.994 1.00 0.00 N ATOM 984 CA SER A 63 -6.478 -8.553 -5.154 1.00 0.00 C ATOM 985 C SER A 63 -5.534 -7.450 -4.720 1.00 0.00 C ATOM 986 O SER A 63 -5.670 -6.937 -3.597 1.00 0.00 O ATOM 987 CB SER A 63 -7.606 -8.009 -6.058 1.00 0.00 C ATOM 988 OG SER A 63 -8.427 -7.076 -5.367 1.00 0.00 O ATOM 0 H SER A 63 -7.230 -8.504 -3.232 1.00 0.00 H new ATOM 0 HA SER A 63 -5.921 -9.289 -5.734 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.171 -7.531 -6.936 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.217 -8.837 -6.416 1.00 0.00 H new ATOM 0 HG SER A 63 -9.129 -6.750 -5.968 1.00 0.00 H new ATOM 994 N PRO A 64 -4.537 -7.083 -5.563 1.00 0.00 N ATOM 995 CA PRO A 64 -3.643 -5.951 -5.281 1.00 0.00 C ATOM 996 C PRO A 64 -4.471 -4.661 -5.081 1.00 0.00 C ATOM 997 O PRO A 64 -4.093 -3.764 -4.335 1.00 0.00 O ATOM 998 CB PRO A 64 -2.762 -5.877 -6.565 1.00 0.00 C ATOM 999 CG PRO A 64 -2.791 -7.260 -7.104 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.169 -7.774 -6.826 1.00 0.00 C ATOM 0 HA PRO A 64 -3.050 -6.065 -4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.163 -5.161 -7.283 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.745 -5.561 -6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.578 -7.268 -8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.036 -7.883 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.860 -7.533 -7.634 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.179 -8.858 -6.711 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.638 -4.629 -5.713 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.549 -3.510 -5.618 1.00 0.00 C ATOM 1010 C GLU A 65 -7.263 -3.545 -4.269 1.00 0.00 C ATOM 1011 O GLU A 65 -7.394 -2.518 -3.589 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.572 -3.569 -6.749 1.00 0.00 C ATOM 1013 CG GLU A 65 -6.963 -3.831 -8.115 1.00 0.00 C ATOM 1014 CD GLU A 65 -7.951 -3.671 -9.225 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.852 -4.509 -9.367 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -7.832 -2.706 -9.997 1.00 0.00 O ATOM 0 H GLU A 65 -5.975 -5.386 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.984 -2.582 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.298 -4.352 -6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.119 -2.627 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.129 -3.147 -8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.555 -4.842 -8.139 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.708 -4.739 -3.883 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.368 -4.933 -2.613 1.00 0.00 C ATOM 1025 C GLY A 66 -7.467 -4.584 -1.447 1.00 0.00 C ATOM 1026 O GLY A 66 -7.913 -4.020 -0.461 1.00 0.00 O ATOM 0 H GLY A 66 -7.618 -5.587 -4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.267 -4.318 -2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.688 -5.971 -2.526 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.196 -4.895 -1.574 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.222 -4.532 -0.557 1.00 0.00 C ATOM 1032 C ILE A 67 -5.157 -3.025 -0.409 1.00 0.00 C ATOM 1033 O ILE A 67 -5.284 -2.513 0.701 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.832 -5.115 -0.859 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.903 -6.642 -0.831 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.793 -4.604 0.149 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.610 -7.303 -1.192 1.00 0.00 C ATOM 0 H ILE A 67 -5.808 -5.399 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.550 -4.965 0.388 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.520 -4.789 -1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.203 -6.966 0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.678 -6.975 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.818 -5.031 -0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.736 -3.517 0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.086 -4.901 1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.731 -8.386 -1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.319 -7.007 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.836 -6.998 -0.487 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.027 -2.315 -1.534 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.027 -0.843 -1.538 1.00 0.00 C ATOM 1051 C VAL A 68 -6.273 -0.317 -0.883 1.00 0.00 C ATOM 1052 O VAL A 68 -6.236 0.682 -0.170 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.912 -0.255 -2.973 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.190 1.268 -3.005 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.535 -0.512 -3.487 1.00 0.00 C ATOM 0 H VAL A 68 -4.920 -2.734 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.149 -0.527 -0.975 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.662 -0.740 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.098 1.633 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.199 1.461 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.469 1.783 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.440 -0.104 -4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.807 -0.034 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.350 -1.586 -3.512 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.356 -1.023 -1.077 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.605 -0.627 -0.541 1.00 0.00 C ATOM 1067 C LYS A 69 -8.571 -0.585 0.976 1.00 0.00 C ATOM 1068 O LYS A 69 -9.173 0.292 1.562 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.711 -1.512 -1.012 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.977 -0.747 -1.262 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.110 -0.320 -2.730 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.040 0.705 -3.171 1.00 0.00 C ATOM 1073 NZ LYS A 69 -10.232 1.186 -4.562 1.00 0.00 N ATOM 0 H LYS A 69 -7.383 -1.889 -1.615 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.800 0.382 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.406 -2.017 -1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.897 -2.287 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.833 -1.362 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.999 0.136 -0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.040 -1.203 -3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.100 0.109 -2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.061 1.558 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.053 0.251 -3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.888 2.164 -4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.699 0.578 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.243 1.153 -4.804 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.844 -1.506 1.612 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.705 -1.436 3.054 1.00 0.00 C ATOM 1089 C GLU A 70 -6.934 -0.221 3.497 1.00 0.00 C ATOM 1090 O GLU A 70 -7.330 0.410 4.455 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.208 -2.721 3.736 1.00 0.00 C ATOM 1092 CG GLU A 70 -8.338 -3.682 4.063 1.00 0.00 C ATOM 1093 CD GLU A 70 -7.927 -4.863 4.927 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -7.720 -4.649 6.151 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -7.879 -6.008 4.425 1.00 0.00 O ATOM 0 H GLU A 70 -7.359 -2.283 1.162 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.730 -1.329 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.489 -3.219 3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.680 -2.460 4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.130 -3.133 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.760 -4.058 3.131 1.00 0.00 H new ATOM 1102 N ILE A 71 -5.850 0.132 2.791 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.123 1.358 3.122 1.00 0.00 C ATOM 1104 C ILE A 71 -6.013 2.583 2.881 1.00 0.00 C ATOM 1105 O ILE A 71 -6.169 3.448 3.755 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.811 1.560 2.278 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -2.786 0.445 2.482 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.164 2.910 2.578 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -3.012 -0.805 1.694 1.00 0.00 C ATOM 0 H ILE A 71 -5.468 -0.400 2.009 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.846 1.256 4.171 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.125 1.528 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.799 0.835 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.767 0.185 3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.259 3.021 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.862 3.711 2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.908 2.964 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.225 -1.524 1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.980 -1.232 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.997 -0.572 0.629 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.597 2.614 1.706 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.378 3.734 1.226 1.00 0.00 C ATOM 1123 C LYS A 72 -8.605 3.961 2.112 1.00 0.00 C ATOM 1124 O LYS A 72 -8.792 5.049 2.640 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.750 3.486 -0.264 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.113 4.735 -1.075 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.515 5.230 -0.844 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.540 4.361 -1.549 1.00 0.00 C ATOM 1129 NZ LYS A 72 -11.910 4.870 -1.384 1.00 0.00 N ATOM 0 H LYS A 72 -6.542 1.843 1.040 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.792 4.651 1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.910 2.990 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.592 2.795 -0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.412 5.532 -0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.986 4.516 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.724 5.245 0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.602 6.257 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.300 4.308 -2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.482 3.345 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.552 4.349 -2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.213 4.739 -0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.935 5.882 -1.622 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.399 2.920 2.323 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.602 3.029 3.143 1.00 0.00 C ATOM 1145 C GLU A 73 -10.296 3.316 4.611 1.00 0.00 C ATOM 1146 O GLU A 73 -11.105 3.926 5.306 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.496 1.801 2.974 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.215 1.789 1.637 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.157 2.953 1.549 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.187 2.950 2.246 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.853 3.927 0.848 1.00 0.00 O ATOM 0 H GLU A 73 -9.233 1.990 1.939 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.154 3.896 2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.891 0.899 3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.231 1.776 3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.490 1.836 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.766 0.856 1.520 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.127 2.914 5.054 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.690 3.152 6.415 1.00 0.00 C ATOM 1160 C TRP A 74 -8.345 4.627 6.565 1.00 0.00 C ATOM 1161 O TRP A 74 -8.947 5.336 7.361 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.465 2.290 6.686 1.00 0.00 C ATOM 1163 CG TRP A 74 -6.961 2.230 8.088 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.487 1.536 9.132 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.770 2.825 8.560 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.690 1.691 10.239 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.624 2.477 9.906 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -4.823 3.627 7.960 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.543 2.905 10.665 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.753 4.067 8.676 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.608 3.702 10.031 1.00 0.00 C ATOM 0 H TRP A 74 -8.449 2.411 4.481 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.474 2.896 7.127 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -7.692 1.273 6.367 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.654 2.649 6.052 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.394 0.951 9.096 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.865 1.286 11.159 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.930 3.906 6.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.437 2.628 11.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.013 4.697 8.206 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.749 4.052 10.584 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.427 5.103 5.736 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.973 6.483 5.802 1.00 0.00 C ATOM 1184 C ARG A 75 -8.081 7.480 5.524 1.00 0.00 C ATOM 1185 O ARG A 75 -8.145 8.538 6.169 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.718 6.712 4.947 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.512 6.021 5.563 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.217 6.226 4.815 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.000 7.616 4.404 1.00 0.00 N ATOM 1190 CZ ARG A 75 -1.865 8.312 4.580 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -0.867 7.823 5.306 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.754 9.513 4.044 1.00 0.00 N ATOM 0 H ARG A 75 -6.980 4.549 5.006 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.676 6.670 6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.885 6.332 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.524 7.781 4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.387 6.381 6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.715 4.952 5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.387 5.907 5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.211 5.588 3.931 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.776 8.095 3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.955 6.905 5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.012 8.366 5.429 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.526 9.903 3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.897 10.051 4.171 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.989 7.122 4.644 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.129 7.963 4.347 1.00 0.00 C ATOM 1208 C ALA A 76 -11.092 8.038 5.536 1.00 0.00 C ATOM 1209 O ALA A 76 -11.713 9.078 5.768 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.857 7.471 3.107 1.00 0.00 C ATOM 0 H ALA A 76 -8.960 6.249 4.118 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.753 8.968 4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.710 8.119 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.177 7.489 2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.207 6.452 3.271 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.182 6.963 6.313 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.117 6.905 7.434 1.00 0.00 C ATOM 1218 C ALA A 77 -11.495 7.579 8.617 1.00 0.00 C ATOM 1219 O ALA A 77 -12.150 8.292 9.376 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.466 5.463 7.774 1.00 0.00 C ATOM 0 H ALA A 77 -10.620 6.121 6.188 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.040 7.416 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.163 5.445 8.612 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.926 4.986 6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.559 4.923 8.046 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.203 7.363 8.739 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.401 7.928 9.786 1.00 0.00 C ATOM 1228 C ASN A 78 -9.350 9.437 9.684 1.00 0.00 C ATOM 1229 O ASN A 78 -9.311 10.128 10.683 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.975 7.373 9.730 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.775 5.949 10.259 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.683 5.626 10.697 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.790 5.121 10.251 1.00 0.00 N ATOM 0 H ASN A 78 -9.675 6.775 8.094 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.863 7.654 10.734 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.638 7.403 8.694 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.326 8.042 10.296 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.680 4.176 10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.690 5.422 9.878 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.379 9.943 8.471 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.284 11.366 8.278 1.00 0.00 C ATOM 1242 C GLY A 79 -7.869 11.764 7.997 1.00 0.00 C ATOM 1243 O GLY A 79 -7.429 12.872 8.315 1.00 0.00 O ATOM 0 H GLY A 79 -9.467 9.395 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.925 11.670 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.644 11.884 9.167 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.150 10.850 7.407 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.787 11.038 7.069 1.00 0.00 C ATOM 1249 C LYS A 80 -5.686 11.561 5.658 1.00 0.00 C ATOM 1250 O LYS A 80 -6.713 11.856 5.024 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.066 9.719 7.205 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.893 9.278 8.648 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.359 7.873 8.736 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.880 7.527 10.147 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.920 7.651 11.192 1.00 0.00 N ATOM 0 H LYS A 80 -7.515 9.934 7.146 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.327 11.765 7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.618 8.953 6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.085 9.798 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.213 9.959 9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.851 9.337 9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.136 7.171 8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.533 7.755 8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.500 6.505 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.044 8.178 10.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.489 7.516 12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.351 8.596 11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.652 6.928 11.040 1.00 0.00 H new ATOM 1269 N SER A 81 -4.497 11.681 5.174 1.00 0.00 N ATOM 1270 CA SER A 81 -4.261 12.160 3.852 1.00 0.00 C ATOM 1271 C SER A 81 -4.557 11.043 2.858 1.00 0.00 C ATOM 1272 O SER A 81 -4.531 9.848 3.220 1.00 0.00 O ATOM 1273 CB SER A 81 -2.818 12.599 3.748 1.00 0.00 C ATOM 1274 OG SER A 81 -2.586 13.427 2.615 1.00 0.00 O ATOM 0 H SER A 81 -3.649 11.447 5.691 1.00 0.00 H new ATOM 0 HA SER A 81 -4.909 13.008 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.539 13.139 4.653 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.176 11.720 3.690 1.00 0.00 H new ATOM 0 HG SER A 81 -1.642 13.688 2.589 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.749 11.414 1.635 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.142 10.480 0.623 1.00 0.00 C ATOM 1282 C GLY A 82 -4.203 10.529 -0.532 1.00 0.00 C ATOM 1283 O GLY A 82 -3.209 11.266 -0.493 1.00 0.00 O ATOM 0 H GLY A 82 -4.639 12.373 1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.162 9.473 1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.154 10.706 0.286 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.506 9.794 -1.567 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.652 9.716 -2.708 1.00 0.00 C ATOM 1289 C PHE A 83 -3.832 10.924 -3.596 1.00 0.00 C ATOM 1290 O PHE A 83 -4.796 11.702 -3.433 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.935 8.442 -3.492 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.813 7.206 -2.668 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.603 6.862 -2.103 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.909 6.403 -2.432 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.490 5.741 -1.326 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.796 5.276 -1.650 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.587 4.944 -1.096 1.00 0.00 C ATOM 0 H PHE A 83 -5.355 9.233 -1.638 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.619 9.696 -2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.941 8.495 -3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.245 8.380 -4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.736 7.483 -2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.864 6.661 -2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.536 5.481 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.660 4.653 -1.473 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.496 4.060 -0.482 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.935 11.075 -4.518 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.959 12.163 -5.453 1.00 0.00 C ATOM 1309 C LYS A 84 -4.092 11.953 -6.442 1.00 0.00 C ATOM 1310 O LYS A 84 -4.480 10.812 -6.733 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.608 12.239 -6.166 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.443 13.400 -7.131 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.035 13.452 -7.704 1.00 0.00 C ATOM 1314 CE LYS A 84 0.303 12.236 -8.543 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.669 12.309 -9.083 1.00 0.00 N ATOM 0 H LYS A 84 -2.150 10.436 -4.647 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.130 13.106 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.822 12.301 -5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.453 11.309 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.164 13.305 -7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.663 14.336 -6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.071 14.349 -8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.682 13.535 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.199 11.336 -7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.409 12.151 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.711 11.804 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.932 13.305 -9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.331 11.870 -8.412 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.617 13.025 -6.932 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.718 12.991 -7.837 1.00 0.00 C ATOM 1331 C GLN A 85 -5.287 13.496 -9.200 1.00 0.00 C ATOM 1332 O GLN A 85 -4.718 14.591 -9.324 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.878 13.791 -7.242 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.504 15.207 -6.827 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.443 15.768 -5.806 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -8.448 16.405 -6.126 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.121 15.545 -4.560 1.00 0.00 N ATOM 0 H GLN A 85 -4.289 13.965 -6.712 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.065 11.968 -7.982 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.686 13.839 -7.972 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.265 13.259 -6.373 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.491 15.209 -6.425 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.500 15.851 -7.706 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.280 15.013 -4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.711 15.903 -3.809 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.478 12.669 -10.183 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.149 13.002 -11.531 1.00 0.00 C ATOM 1348 C GLY A 86 -5.210 11.771 -12.381 1.00 0.00 C ATOM 1349 O GLY A 86 -6.288 11.443 -12.877 1.00 0.00 O ATOM 1350 OXT GLY A 86 -4.186 11.077 -12.533 1.00 0.00 O ATOM 0 H GLY A 86 -5.871 11.735 -10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.842 13.753 -11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.151 13.438 -11.575 1.00 0.00 H new TER 1354 GLY A 86