USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 704 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 15 SER OG : rot -128:sc= -0.416 USER MOD Set 1.2: A 16 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 34 SER OG : rot 180:sc= 0.147 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0645 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.41) USER MOD Single : A 32 GLN : amide:sc= -0.459 K(o=-0.46,f=-1.2) USER MOD Single : A 33 CYS SG : rot 180:sc= -1.71! USER MOD Single : A 38 THR OG1 : rot -26:sc= -1.43! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0968 K(o=-0.097,f=-0.95) USER MOD Single : A 50 GLN : amide:sc= -0.118 K(o=-0.12,f=-2!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 47:sc= 0.264 USER MOD Single : A 59 CYS SG : rot 24:sc= 0.275 USER MOD Single : A 67 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-0.82) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.371 K(o=-0.37,f=-1.4) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -14:sc= 0.301 USER MOD Single : A 80 THR OG1 : rot 180:sc=-0.00229 USER MOD Single : A 81 CYS SG : rot 102:sc= -0.222 USER MOD Single : A 85 ASN : amide:sc= -5.16! C(o=-5.2!,f=-23!) USER MOD Single : A 89 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.012) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -100:sc= 1.3 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 55:sc= 0.64 USER MOD Single : A 99 HIS : no HE2:sc= -0.977 K(o=-0.98,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.547 -9.619 0.468 1.00 0.00 N ATOM 2 CA GLY A 1 31.276 -8.238 0.113 1.00 0.00 C ATOM 3 C GLY A 1 31.885 -7.257 1.095 1.00 0.00 C ATOM 4 O GLY A 1 32.757 -7.619 1.884 1.00 0.00 O ATOM 0 H1 GLY A 1 32.013 -10.097 -0.329 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.170 -9.648 1.300 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.653 -10.103 0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.667 -8.039 -0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.198 -8.082 0.070 1.00 0.00 H new ATOM 8 N SER A 2 31.426 -6.011 1.045 1.00 0.00 N ATOM 9 CA SER A 2 31.935 -4.972 1.933 1.00 0.00 C ATOM 10 C SER A 2 30.886 -4.580 2.969 1.00 0.00 C ATOM 11 O SER A 2 29.684 -4.657 2.711 1.00 0.00 O ATOM 12 CB SER A 2 32.356 -3.743 1.126 1.00 0.00 C ATOM 13 OG SER A 2 33.387 -4.064 0.208 1.00 0.00 O ATOM 0 H SER A 2 30.702 -5.696 0.399 1.00 0.00 H new ATOM 0 HA SER A 2 32.805 -5.370 2.456 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.496 -3.346 0.587 1.00 0.00 H new ATOM 0 HB3 SER A 2 32.698 -2.960 1.802 1.00 0.00 H new ATOM 0 HG SER A 2 33.637 -3.262 -0.297 1.00 0.00 H new ATOM 19 N SER A 3 31.349 -4.158 4.141 1.00 0.00 N ATOM 20 CA SER A 3 30.451 -3.757 5.218 1.00 0.00 C ATOM 21 C SER A 3 29.532 -2.627 4.766 1.00 0.00 C ATOM 22 O SER A 3 29.953 -1.476 4.654 1.00 0.00 O ATOM 23 CB SER A 3 31.255 -3.317 6.443 1.00 0.00 C ATOM 24 OG SER A 3 32.016 -4.392 6.966 1.00 0.00 O ATOM 0 H SER A 3 32.340 -4.085 4.369 1.00 0.00 H new ATOM 0 HA SER A 3 29.837 -4.617 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.918 -2.496 6.171 1.00 0.00 H new ATOM 0 HB3 SER A 3 30.578 -2.939 7.210 1.00 0.00 H new ATOM 0 HG SER A 3 32.522 -4.085 7.747 1.00 0.00 H new ATOM 30 N GLY A 4 28.272 -2.964 4.507 1.00 0.00 N ATOM 31 CA GLY A 4 27.312 -1.968 4.070 1.00 0.00 C ATOM 32 C GLY A 4 27.414 -0.678 4.860 1.00 0.00 C ATOM 33 O GLY A 4 27.659 -0.698 6.066 1.00 0.00 O ATOM 0 H GLY A 4 27.899 -3.910 4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.469 -1.756 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.304 -2.372 4.168 1.00 0.00 H new ATOM 37 N SER A 5 27.229 0.448 4.178 1.00 0.00 N ATOM 38 CA SER A 5 27.308 1.754 4.823 1.00 0.00 C ATOM 39 C SER A 5 25.926 2.226 5.264 1.00 0.00 C ATOM 40 O SER A 5 24.906 1.700 4.818 1.00 0.00 O ATOM 41 CB SER A 5 27.930 2.778 3.872 1.00 0.00 C ATOM 42 OG SER A 5 27.061 3.064 2.790 1.00 0.00 O ATOM 0 H SER A 5 27.023 0.482 3.180 1.00 0.00 H new ATOM 0 HA SER A 5 27.939 1.659 5.707 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.152 3.696 4.416 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.877 2.396 3.491 1.00 0.00 H new ATOM 0 HG SER A 5 27.481 3.722 2.198 1.00 0.00 H new ATOM 48 N SER A 6 25.901 3.223 6.142 1.00 0.00 N ATOM 49 CA SER A 6 24.645 3.765 6.648 1.00 0.00 C ATOM 50 C SER A 6 23.712 4.136 5.499 1.00 0.00 C ATOM 51 O SER A 6 24.102 4.842 4.571 1.00 0.00 O ATOM 52 CB SER A 6 24.909 4.993 7.521 1.00 0.00 C ATOM 53 OG SER A 6 25.317 4.614 8.824 1.00 0.00 O ATOM 0 H SER A 6 26.736 3.672 6.518 1.00 0.00 H new ATOM 0 HA SER A 6 24.163 2.996 7.252 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.680 5.611 7.061 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.006 5.601 7.582 1.00 0.00 H new ATOM 0 HG SER A 6 25.481 5.417 9.362 1.00 0.00 H new ATOM 59 N GLY A 7 22.475 3.652 5.569 1.00 0.00 N ATOM 60 CA GLY A 7 21.505 3.942 4.530 1.00 0.00 C ATOM 61 C GLY A 7 21.496 2.893 3.436 1.00 0.00 C ATOM 62 O GLY A 7 22.449 2.783 2.665 1.00 0.00 O ATOM 0 H GLY A 7 22.128 3.064 6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.511 4.009 4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.725 4.916 4.093 1.00 0.00 H new ATOM 66 N MET A 8 20.418 2.119 3.369 1.00 0.00 N ATOM 67 CA MET A 8 20.290 1.073 2.361 1.00 0.00 C ATOM 68 C MET A 8 18.828 0.684 2.164 1.00 0.00 C ATOM 69 O MET A 8 17.990 0.927 3.032 1.00 0.00 O ATOM 70 CB MET A 8 21.107 -0.156 2.765 1.00 0.00 C ATOM 71 CG MET A 8 20.528 -0.908 3.952 1.00 0.00 C ATOM 72 SD MET A 8 21.272 -2.536 4.173 1.00 0.00 S ATOM 73 CE MET A 8 20.333 -3.150 5.569 1.00 0.00 C ATOM 0 H MET A 8 19.621 2.196 4.000 1.00 0.00 H new ATOM 0 HA MET A 8 20.674 1.462 1.418 1.00 0.00 H new ATOM 0 HB2 MET A 8 21.174 -0.834 1.914 1.00 0.00 H new ATOM 0 HB3 MET A 8 22.124 0.156 3.004 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.676 -0.319 4.857 1.00 0.00 H new ATOM 0 HG3 MET A 8 19.452 -1.020 3.817 1.00 0.00 H new ATOM 0 HE1 MET A 8 20.677 -4.151 5.827 1.00 0.00 H new ATOM 0 HE2 MET A 8 20.474 -2.487 6.422 1.00 0.00 H new ATOM 0 HE3 MET A 8 19.275 -3.186 5.308 1.00 0.00 H new ATOM 83 N GLU A 9 18.531 0.079 1.018 1.00 0.00 N ATOM 84 CA GLU A 9 17.170 -0.342 0.709 1.00 0.00 C ATOM 85 C GLU A 9 16.589 -1.182 1.842 1.00 0.00 C ATOM 86 O GLU A 9 17.236 -1.394 2.868 1.00 0.00 O ATOM 87 CB GLU A 9 17.143 -1.140 -0.597 1.00 0.00 C ATOM 88 CG GLU A 9 17.417 -0.296 -1.831 1.00 0.00 C ATOM 89 CD GLU A 9 18.897 -0.174 -2.137 1.00 0.00 C ATOM 90 OE1 GLU A 9 19.558 0.696 -1.533 1.00 0.00 O ATOM 91 OE2 GLU A 9 19.393 -0.948 -2.982 1.00 0.00 O ATOM 0 H GLU A 9 19.214 -0.130 0.290 1.00 0.00 H new ATOM 0 HA GLU A 9 16.559 0.553 0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.883 -1.938 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.168 -1.616 -0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.908 -0.736 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.996 0.699 -1.687 1.00 0.00 H new ATOM 98 N VAL A 10 15.363 -1.659 1.649 1.00 0.00 N ATOM 99 CA VAL A 10 14.694 -2.477 2.654 1.00 0.00 C ATOM 100 C VAL A 10 13.610 -3.344 2.024 1.00 0.00 C ATOM 101 O VAL A 10 13.226 -3.138 0.873 1.00 0.00 O ATOM 102 CB VAL A 10 14.062 -1.606 3.757 1.00 0.00 C ATOM 103 CG1 VAL A 10 15.098 -1.244 4.810 1.00 0.00 C ATOM 104 CG2 VAL A 10 13.441 -0.354 3.156 1.00 0.00 C ATOM 0 H VAL A 10 14.813 -1.493 0.806 1.00 0.00 H new ATOM 0 HA VAL A 10 15.456 -3.118 3.098 1.00 0.00 H new ATOM 0 HB VAL A 10 13.272 -2.180 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.634 -0.629 5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.492 -2.155 5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.912 -0.689 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.999 0.250 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.211 0.225 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.667 -0.638 2.443 1.00 0.00 H new ATOM 114 N ALA A 11 13.120 -4.316 2.787 1.00 0.00 N ATOM 115 CA ALA A 11 12.078 -5.214 2.304 1.00 0.00 C ATOM 116 C ALA A 11 10.691 -4.661 2.610 1.00 0.00 C ATOM 117 O ALA A 11 10.491 -3.917 3.571 1.00 0.00 O ATOM 118 CB ALA A 11 12.245 -6.595 2.920 1.00 0.00 C ATOM 0 H ALA A 11 13.428 -4.501 3.742 1.00 0.00 H new ATOM 0 HA ALA A 11 12.177 -5.296 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.460 -7.255 2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.219 -7.000 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.175 -6.520 4.005 1.00 0.00 H new ATOM 124 N PRO A 12 9.708 -5.030 1.776 1.00 0.00 N ATOM 125 CA PRO A 12 8.322 -4.581 1.937 1.00 0.00 C ATOM 126 C PRO A 12 7.651 -5.200 3.159 1.00 0.00 C ATOM 127 O PRO A 12 7.984 -6.313 3.564 1.00 0.00 O ATOM 128 CB PRO A 12 7.642 -5.061 0.653 1.00 0.00 C ATOM 129 CG PRO A 12 8.460 -6.221 0.201 1.00 0.00 C ATOM 130 CD PRO A 12 9.874 -5.915 0.610 1.00 0.00 C ATOM 0 HA PRO A 12 8.258 -3.504 2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.609 -5.354 0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.620 -4.274 -0.101 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.112 -7.146 0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.386 -6.354 -0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.423 -6.821 0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.427 -5.425 -0.191 1.00 0.00 H new ATOM 138 N SER A 13 6.703 -4.472 3.740 1.00 0.00 N ATOM 139 CA SER A 13 5.987 -4.949 4.917 1.00 0.00 C ATOM 140 C SER A 13 4.798 -4.047 5.233 1.00 0.00 C ATOM 141 O SER A 13 4.773 -2.876 4.851 1.00 0.00 O ATOM 142 CB SER A 13 6.928 -5.011 6.122 1.00 0.00 C ATOM 143 OG SER A 13 7.378 -3.717 6.485 1.00 0.00 O ATOM 0 H SER A 13 6.413 -3.550 3.415 1.00 0.00 H new ATOM 0 HA SER A 13 5.614 -5.951 4.703 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.413 -5.470 6.966 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.783 -5.644 5.887 1.00 0.00 H new ATOM 0 HG SER A 13 7.976 -3.784 7.258 1.00 0.00 H new ATOM 149 N PHE A 14 3.812 -4.600 5.932 1.00 0.00 N ATOM 150 CA PHE A 14 2.619 -3.847 6.299 1.00 0.00 C ATOM 151 C PHE A 14 2.601 -3.550 7.795 1.00 0.00 C ATOM 152 O PHE A 14 2.481 -4.458 8.618 1.00 0.00 O ATOM 153 CB PHE A 14 1.360 -4.623 5.906 1.00 0.00 C ATOM 154 CG PHE A 14 1.070 -4.589 4.433 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.569 -3.443 3.838 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.299 -5.704 3.643 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.301 -3.410 2.482 1.00 0.00 C ATOM 158 CE2 PHE A 14 1.033 -5.677 2.287 1.00 0.00 C ATOM 159 CZ PHE A 14 0.534 -4.528 1.706 1.00 0.00 C ATOM 0 H PHE A 14 3.816 -5.567 6.256 1.00 0.00 H new ATOM 0 HA PHE A 14 2.637 -2.900 5.760 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.469 -5.660 6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.507 -4.212 6.446 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.386 -2.565 4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.690 -6.605 4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.090 -2.510 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.215 -6.553 1.683 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.326 -4.504 0.646 1.00 0.00 H new ATOM 169 N SER A 15 2.722 -2.272 8.141 1.00 0.00 N ATOM 170 CA SER A 15 2.724 -1.855 9.538 1.00 0.00 C ATOM 171 C SER A 15 1.311 -1.872 10.113 1.00 0.00 C ATOM 172 O SER A 15 1.104 -2.242 11.268 1.00 0.00 O ATOM 173 CB SER A 15 3.324 -0.454 9.673 1.00 0.00 C ATOM 174 OG SER A 15 2.436 0.532 9.173 1.00 0.00 O ATOM 0 H SER A 15 2.820 -1.508 7.473 1.00 0.00 H new ATOM 0 HA SER A 15 3.335 -2.561 10.101 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.547 -0.250 10.720 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.268 -0.406 9.131 1.00 0.00 H new ATOM 0 HG SER A 15 2.907 1.100 8.528 1.00 0.00 H new ATOM 180 N SER A 16 0.342 -1.470 9.297 1.00 0.00 N ATOM 181 CA SER A 16 -1.052 -1.436 9.724 1.00 0.00 C ATOM 182 C SER A 16 -1.959 -2.065 8.670 1.00 0.00 C ATOM 183 O SER A 16 -2.605 -1.363 7.892 1.00 0.00 O ATOM 184 CB SER A 16 -1.489 0.005 9.994 1.00 0.00 C ATOM 185 OG SER A 16 -0.802 0.546 11.110 1.00 0.00 O ATOM 0 H SER A 16 0.496 -1.163 8.337 1.00 0.00 H new ATOM 0 HA SER A 16 -1.139 -2.014 10.644 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.297 0.618 9.113 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.563 0.035 10.175 1.00 0.00 H new ATOM 0 HG SER A 16 -1.098 1.468 11.261 1.00 0.00 H new ATOM 191 N VAL A 17 -2.001 -3.393 8.652 1.00 0.00 N ATOM 192 CA VAL A 17 -2.828 -4.118 7.695 1.00 0.00 C ATOM 193 C VAL A 17 -4.260 -3.596 7.700 1.00 0.00 C ATOM 194 O VAL A 17 -4.694 -2.951 8.656 1.00 0.00 O ATOM 195 CB VAL A 17 -2.844 -5.629 7.998 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.438 -6.204 7.918 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.458 -5.891 9.364 1.00 0.00 C ATOM 0 H VAL A 17 -1.472 -3.989 9.289 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.388 -3.956 6.711 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.458 -6.126 7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.469 -7.272 8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.038 -6.049 6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.799 -5.704 8.646 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.461 -6.963 9.562 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.872 -5.383 10.130 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.481 -5.516 9.381 1.00 0.00 H new ATOM 207 N LEU A 18 -4.991 -3.878 6.627 1.00 0.00 N ATOM 208 CA LEU A 18 -6.376 -3.437 6.507 1.00 0.00 C ATOM 209 C LEU A 18 -7.281 -4.218 7.456 1.00 0.00 C ATOM 210 O LEU A 18 -6.941 -5.319 7.889 1.00 0.00 O ATOM 211 CB LEU A 18 -6.863 -3.605 5.067 1.00 0.00 C ATOM 212 CG LEU A 18 -6.097 -2.817 4.004 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.169 -3.524 2.659 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.642 -1.400 3.893 1.00 0.00 C ATOM 0 H LEU A 18 -4.647 -4.410 5.828 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.420 -2.382 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.817 -4.663 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.912 -3.312 5.023 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.051 -2.760 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.618 -2.948 1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.730 -4.518 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.211 -3.613 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.085 -0.854 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.695 -1.436 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.537 -0.894 4.852 1.00 0.00 H new ATOM 226 N LYS A 19 -8.435 -3.641 7.773 1.00 0.00 N ATOM 227 CA LYS A 19 -9.391 -4.283 8.668 1.00 0.00 C ATOM 228 C LYS A 19 -10.806 -4.194 8.105 1.00 0.00 C ATOM 229 O LYS A 19 -11.091 -3.361 7.244 1.00 0.00 O ATOM 230 CB LYS A 19 -9.339 -3.636 10.053 1.00 0.00 C ATOM 231 CG LYS A 19 -9.581 -2.136 10.033 1.00 0.00 C ATOM 232 CD LYS A 19 -9.071 -1.472 11.301 1.00 0.00 C ATOM 233 CE LYS A 19 -7.568 -1.244 11.244 1.00 0.00 C ATOM 234 NZ LYS A 19 -7.073 -0.509 12.441 1.00 0.00 N ATOM 0 H LYS A 19 -8.731 -2.730 7.423 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.119 -5.335 8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.085 -4.107 10.693 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.365 -3.833 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.085 -1.698 9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.647 -1.940 9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.580 -0.519 11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.313 -2.095 12.162 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.057 -2.204 11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.320 -0.681 10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.045 -0.373 12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.541 0.418 12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.287 -1.058 13.298 1.00 0.00 H new ATOM 248 N ASP A 20 -11.689 -5.055 8.599 1.00 0.00 N ATOM 249 CA ASP A 20 -13.075 -5.072 8.147 1.00 0.00 C ATOM 250 C ASP A 20 -13.649 -3.659 8.103 1.00 0.00 C ATOM 251 O ASP A 20 -13.323 -2.819 8.943 1.00 0.00 O ATOM 252 CB ASP A 20 -13.923 -5.952 9.067 1.00 0.00 C ATOM 253 CG ASP A 20 -14.245 -5.272 10.384 1.00 0.00 C ATOM 254 OD1 ASP A 20 -13.398 -5.324 11.300 1.00 0.00 O ATOM 255 OD2 ASP A 20 -15.343 -4.689 10.498 1.00 0.00 O ATOM 0 H ASP A 20 -11.469 -5.750 9.312 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.098 -5.486 7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.852 -6.214 8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.393 -6.884 9.263 1.00 0.00 H new ATOM 260 N CYS A 21 -14.504 -3.404 7.119 1.00 0.00 N ATOM 261 CA CYS A 21 -15.123 -2.092 6.965 1.00 0.00 C ATOM 262 C CYS A 21 -16.577 -2.224 6.525 1.00 0.00 C ATOM 263 O CYS A 21 -16.942 -3.172 5.830 1.00 0.00 O ATOM 264 CB CYS A 21 -14.344 -1.255 5.948 1.00 0.00 C ATOM 265 SG CYS A 21 -14.480 0.530 6.203 1.00 0.00 S ATOM 0 H CYS A 21 -14.784 -4.088 6.416 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.100 -1.591 7.933 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.292 -1.538 5.990 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.700 -1.496 4.946 1.00 0.00 H new ATOM 0 HG CYS A 21 -13.786 1.152 5.296 1.00 0.00 H new ATOM 271 N ALA A 22 -17.404 -1.269 6.938 1.00 0.00 N ATOM 272 CA ALA A 22 -18.818 -1.279 6.587 1.00 0.00 C ATOM 273 C ALA A 22 -19.228 0.031 5.922 1.00 0.00 C ATOM 274 O ALA A 22 -18.885 1.114 6.396 1.00 0.00 O ATOM 275 CB ALA A 22 -19.667 -1.533 7.823 1.00 0.00 C ATOM 0 H ALA A 22 -17.118 -0.479 7.516 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.984 -2.086 5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.721 -1.538 7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.401 -2.498 8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.488 -0.746 8.555 1.00 0.00 H new ATOM 281 N VAL A 23 -19.963 -0.075 4.819 1.00 0.00 N ATOM 282 CA VAL A 23 -20.420 1.101 4.089 1.00 0.00 C ATOM 283 C VAL A 23 -21.837 0.905 3.562 1.00 0.00 C ATOM 284 O VAL A 23 -22.272 -0.223 3.327 1.00 0.00 O ATOM 285 CB VAL A 23 -19.486 1.426 2.908 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.878 0.621 1.679 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.507 2.917 2.608 1.00 0.00 C ATOM 0 H VAL A 23 -20.254 -0.964 4.412 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.409 1.934 4.792 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.469 1.148 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.207 0.864 0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.806 -0.443 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -20.902 0.864 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -18.842 3.129 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.521 3.222 2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.173 3.470 3.486 1.00 0.00 H new ATOM 297 N ILE A 24 -22.552 2.009 3.378 1.00 0.00 N ATOM 298 CA ILE A 24 -23.920 1.959 2.877 1.00 0.00 C ATOM 299 C ILE A 24 -23.963 2.193 1.371 1.00 0.00 C ATOM 300 O ILE A 24 -23.116 2.894 0.818 1.00 0.00 O ATOM 301 CB ILE A 24 -24.814 3.002 3.574 1.00 0.00 C ATOM 302 CG1 ILE A 24 -25.032 2.622 5.040 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.146 3.127 2.850 1.00 0.00 C ATOM 304 CD1 ILE A 24 -25.773 3.675 5.834 1.00 0.00 C ATOM 0 H ILE A 24 -22.207 2.950 3.568 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.300 0.962 3.098 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.312 3.969 3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -25.589 1.686 5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -24.064 2.440 5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.766 3.868 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -25.973 3.440 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.655 2.163 2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -25.891 3.338 6.864 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -25.207 4.607 5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -26.755 3.840 5.391 1.00 0.00 H new ATOM 316 N GLU A 25 -24.957 1.604 0.714 1.00 0.00 N ATOM 317 CA GLU A 25 -25.111 1.750 -0.728 1.00 0.00 C ATOM 318 C GLU A 25 -25.177 3.223 -1.122 1.00 0.00 C ATOM 319 O GLU A 25 -26.090 3.943 -0.721 1.00 0.00 O ATOM 320 CB GLU A 25 -26.372 1.026 -1.205 1.00 0.00 C ATOM 321 CG GLU A 25 -26.560 1.058 -2.713 1.00 0.00 C ATOM 322 CD GLU A 25 -27.484 -0.036 -3.209 1.00 0.00 C ATOM 323 OE1 GLU A 25 -27.543 -1.103 -2.562 1.00 0.00 O ATOM 324 OE2 GLU A 25 -28.148 0.174 -4.246 1.00 0.00 O ATOM 0 H GLU A 25 -25.667 1.022 1.157 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.241 1.302 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.332 -0.012 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.242 1.478 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.962 2.028 -3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -25.589 0.956 -3.199 1.00 0.00 H new ATOM 331 N GLY A 26 -24.201 3.663 -1.910 1.00 0.00 N ATOM 332 CA GLY A 26 -24.165 5.047 -2.345 1.00 0.00 C ATOM 333 C GLY A 26 -23.082 5.846 -1.647 1.00 0.00 C ATOM 334 O GLY A 26 -22.612 6.855 -2.172 1.00 0.00 O ATOM 0 H GLY A 26 -23.434 3.085 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.001 5.082 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.133 5.510 -2.155 1.00 0.00 H new ATOM 338 N GLN A 27 -22.687 5.395 -0.461 1.00 0.00 N ATOM 339 CA GLN A 27 -21.654 6.077 0.310 1.00 0.00 C ATOM 340 C GLN A 27 -20.281 5.873 -0.321 1.00 0.00 C ATOM 341 O GLN A 27 -20.141 5.150 -1.307 1.00 0.00 O ATOM 342 CB GLN A 27 -21.647 5.570 1.753 1.00 0.00 C ATOM 343 CG GLN A 27 -22.710 6.213 2.629 1.00 0.00 C ATOM 344 CD GLN A 27 -22.632 7.727 2.627 1.00 0.00 C ATOM 345 OE1 GLN A 27 -21.583 8.305 2.913 1.00 0.00 O ATOM 346 NE2 GLN A 27 -23.743 8.377 2.304 1.00 0.00 N ATOM 0 H GLN A 27 -23.066 4.561 -0.013 1.00 0.00 H new ATOM 0 HA GLN A 27 -21.879 7.144 0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.795 4.490 1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.666 5.757 2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.696 5.904 2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.602 5.849 3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -24.590 7.857 2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.750 9.397 2.286 1.00 0.00 H new ATOM 355 N ASP A 28 -19.270 6.514 0.255 1.00 0.00 N ATOM 356 CA ASP A 28 -17.906 6.402 -0.250 1.00 0.00 C ATOM 357 C ASP A 28 -16.971 5.861 0.827 1.00 0.00 C ATOM 358 O ASP A 28 -16.994 6.315 1.971 1.00 0.00 O ATOM 359 CB ASP A 28 -17.407 7.763 -0.738 1.00 0.00 C ATOM 360 CG ASP A 28 -17.891 8.905 0.135 1.00 0.00 C ATOM 361 OD1 ASP A 28 -19.078 9.277 0.022 1.00 0.00 O ATOM 362 OD2 ASP A 28 -17.083 9.425 0.931 1.00 0.00 O ATOM 0 H ASP A 28 -19.369 7.117 1.072 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.911 5.704 -1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.317 7.761 -0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.744 7.924 -1.762 1.00 0.00 H new ATOM 367 N PHE A 29 -16.149 4.886 0.453 1.00 0.00 N ATOM 368 CA PHE A 29 -15.207 4.280 1.387 1.00 0.00 C ATOM 369 C PHE A 29 -13.825 4.143 0.754 1.00 0.00 C ATOM 370 O PHE A 29 -13.689 3.641 -0.362 1.00 0.00 O ATOM 371 CB PHE A 29 -15.713 2.908 1.837 1.00 0.00 C ATOM 372 CG PHE A 29 -15.477 1.821 0.826 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.215 1.273 0.660 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.517 1.348 0.043 1.00 0.00 C ATOM 375 CE1 PHE A 29 -13.996 0.274 -0.269 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.304 0.349 -0.888 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.041 -0.189 -1.043 1.00 0.00 C ATOM 0 H PHE A 29 -16.116 4.499 -0.490 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.126 4.932 2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.222 2.637 2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.781 2.974 2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.394 1.631 1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.506 1.765 0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.008 -0.144 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.123 -0.010 -1.493 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.872 -0.971 -1.769 1.00 0.00 H new ATOM 387 N VAL A 30 -12.803 4.593 1.474 1.00 0.00 N ATOM 388 CA VAL A 30 -11.432 4.521 0.984 1.00 0.00 C ATOM 389 C VAL A 30 -10.549 3.722 1.938 1.00 0.00 C ATOM 390 O VAL A 30 -10.279 4.154 3.059 1.00 0.00 O ATOM 391 CB VAL A 30 -10.828 5.925 0.798 1.00 0.00 C ATOM 392 CG1 VAL A 30 -11.168 6.815 1.983 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.322 5.835 0.603 1.00 0.00 C ATOM 0 H VAL A 30 -12.899 5.012 2.399 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.467 4.018 0.018 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.262 6.372 -0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.732 7.803 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.251 6.905 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.765 6.376 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.911 6.836 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.869 5.368 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.105 5.236 -0.282 1.00 0.00 H new ATOM 403 N LEU A 31 -10.102 2.557 1.484 1.00 0.00 N ATOM 404 CA LEU A 31 -9.248 1.697 2.296 1.00 0.00 C ATOM 405 C LEU A 31 -7.841 2.274 2.407 1.00 0.00 C ATOM 406 O LEU A 31 -7.079 2.267 1.440 1.00 0.00 O ATOM 407 CB LEU A 31 -9.189 0.291 1.697 1.00 0.00 C ATOM 408 CG LEU A 31 -10.532 -0.338 1.325 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.358 -1.342 0.196 1.00 0.00 C ATOM 410 CD2 LEU A 31 -11.164 -1.003 2.540 1.00 0.00 C ATOM 0 H LEU A 31 -10.316 2.186 0.558 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.678 1.641 3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.566 0.325 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.688 -0.365 2.409 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.198 0.453 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.325 -1.779 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.950 -0.838 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.675 -2.130 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.119 -1.445 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.500 -1.782 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.326 -0.258 3.319 1.00 0.00 H new ATOM 422 N GLN A 32 -7.502 2.772 3.592 1.00 0.00 N ATOM 423 CA GLN A 32 -6.185 3.352 3.828 1.00 0.00 C ATOM 424 C GLN A 32 -5.337 2.437 4.706 1.00 0.00 C ATOM 425 O GLN A 32 -5.803 1.936 5.730 1.00 0.00 O ATOM 426 CB GLN A 32 -6.321 4.727 4.485 1.00 0.00 C ATOM 427 CG GLN A 32 -4.987 5.399 4.771 1.00 0.00 C ATOM 428 CD GLN A 32 -5.135 6.663 5.594 1.00 0.00 C ATOM 429 OE1 GLN A 32 -6.182 6.906 6.196 1.00 0.00 O ATOM 430 NE2 GLN A 32 -4.086 7.475 5.626 1.00 0.00 N ATOM 0 H GLN A 32 -8.121 2.785 4.403 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.687 3.465 2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.912 5.373 3.837 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.873 4.621 5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.338 4.700 5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.496 5.639 3.828 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.239 7.234 5.112 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.127 8.340 6.165 1.00 0.00 H new ATOM 439 N CYS A 33 -4.091 2.224 4.298 1.00 0.00 N ATOM 440 CA CYS A 33 -3.178 1.368 5.047 1.00 0.00 C ATOM 441 C CYS A 33 -1.748 1.892 4.962 1.00 0.00 C ATOM 442 O CYS A 33 -1.440 2.752 4.137 1.00 0.00 O ATOM 443 CB CYS A 33 -3.241 -0.066 4.520 1.00 0.00 C ATOM 444 SG CYS A 33 -2.744 -0.238 2.790 1.00 0.00 S ATOM 0 H CYS A 33 -3.690 2.632 3.453 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.487 1.376 6.092 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.600 -0.697 5.136 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.259 -0.439 4.634 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.828 -1.486 2.436 1.00 0.00 H new ATOM 450 N SER A 34 -0.878 1.368 5.820 1.00 0.00 N ATOM 451 CA SER A 34 0.518 1.787 5.845 1.00 0.00 C ATOM 452 C SER A 34 1.439 0.629 5.473 1.00 0.00 C ATOM 453 O SER A 34 1.410 -0.429 6.102 1.00 0.00 O ATOM 454 CB SER A 34 0.887 2.323 7.229 1.00 0.00 C ATOM 455 OG SER A 34 2.237 2.751 7.267 1.00 0.00 O ATOM 0 H SER A 34 -1.116 0.652 6.507 1.00 0.00 H new ATOM 0 HA SER A 34 0.647 2.581 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.231 3.155 7.487 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.727 1.547 7.977 1.00 0.00 H new ATOM 0 HG SER A 34 2.447 3.091 8.162 1.00 0.00 H new ATOM 461 N VAL A 35 2.257 0.838 4.446 1.00 0.00 N ATOM 462 CA VAL A 35 3.189 -0.187 3.990 1.00 0.00 C ATOM 463 C VAL A 35 4.579 0.395 3.764 1.00 0.00 C ATOM 464 O VAL A 35 4.752 1.329 2.980 1.00 0.00 O ATOM 465 CB VAL A 35 2.702 -0.848 2.687 1.00 0.00 C ATOM 466 CG1 VAL A 35 2.143 0.198 1.734 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.831 -1.629 2.032 1.00 0.00 C ATOM 0 H VAL A 35 2.293 1.708 3.914 1.00 0.00 H new ATOM 0 HA VAL A 35 3.239 -0.942 4.775 1.00 0.00 H new ATOM 0 HB VAL A 35 1.902 -1.547 2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.804 -0.288 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.304 0.709 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.920 0.923 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.469 -2.089 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.654 -0.953 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.180 -2.405 2.713 1.00 0.00 H new ATOM 477 N ARG A 36 5.568 -0.162 4.454 1.00 0.00 N ATOM 478 CA ARG A 36 6.944 0.303 4.329 1.00 0.00 C ATOM 479 C ARG A 36 7.716 -0.549 3.325 1.00 0.00 C ATOM 480 O ARG A 36 7.288 -1.645 2.967 1.00 0.00 O ATOM 481 CB ARG A 36 7.643 0.265 5.689 1.00 0.00 C ATOM 482 CG ARG A 36 6.938 1.083 6.759 1.00 0.00 C ATOM 483 CD ARG A 36 7.875 1.423 7.908 1.00 0.00 C ATOM 484 NE ARG A 36 8.949 2.320 7.491 1.00 0.00 N ATOM 485 CZ ARG A 36 9.900 2.757 8.309 1.00 0.00 C ATOM 486 NH1 ARG A 36 9.911 2.380 9.580 1.00 0.00 N ATOM 487 NH2 ARG A 36 10.844 3.572 7.855 1.00 0.00 N ATOM 0 H ARG A 36 5.442 -0.936 5.106 1.00 0.00 H new ATOM 0 HA ARG A 36 6.922 1.331 3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.714 -0.770 6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.662 0.634 5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.551 2.002 6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.082 0.526 7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.307 1.888 8.714 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.305 0.505 8.309 1.00 0.00 H new ATOM 0 HE ARG A 36 8.970 2.628 6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.188 1.753 9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.643 2.717 10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.840 3.863 6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.574 3.907 8.484 1.00 0.00 H new ATOM 501 N GLY A 37 8.856 -0.035 2.874 1.00 0.00 N ATOM 502 CA GLY A 37 9.669 -0.760 1.915 1.00 0.00 C ATOM 503 C GLY A 37 10.577 0.154 1.116 1.00 0.00 C ATOM 504 O GLY A 37 10.380 1.369 1.088 1.00 0.00 O ATOM 0 H GLY A 37 9.231 0.871 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.274 -1.499 2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.019 -1.308 1.233 1.00 0.00 H new ATOM 508 N THR A 38 11.577 -0.431 0.464 1.00 0.00 N ATOM 509 CA THR A 38 12.521 0.338 -0.337 1.00 0.00 C ATOM 510 C THR A 38 13.251 -0.554 -1.335 1.00 0.00 C ATOM 511 O THR A 38 13.901 -1.533 -0.969 1.00 0.00 O ATOM 512 CB THR A 38 13.558 1.053 0.549 1.00 0.00 C ATOM 513 OG1 THR A 38 12.898 1.747 1.614 1.00 0.00 O ATOM 514 CG2 THR A 38 14.384 2.035 -0.268 1.00 0.00 C ATOM 0 H THR A 38 11.754 -1.435 0.475 1.00 0.00 H new ATOM 0 HA THR A 38 11.940 1.085 -0.879 1.00 0.00 H new ATOM 0 HB THR A 38 14.227 0.300 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.984 1.972 1.341 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.109 2.527 0.380 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.909 1.499 -1.059 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.727 2.783 -0.711 1.00 0.00 H new ATOM 522 N PRO A 39 13.143 -0.210 -2.627 1.00 0.00 N ATOM 523 CA PRO A 39 12.370 0.953 -3.074 1.00 0.00 C ATOM 524 C PRO A 39 10.869 0.754 -2.901 1.00 0.00 C ATOM 525 O PRO A 39 10.416 -0.324 -2.515 1.00 0.00 O ATOM 526 CB PRO A 39 12.727 1.065 -4.559 1.00 0.00 C ATOM 527 CG PRO A 39 13.118 -0.315 -4.960 1.00 0.00 C ATOM 528 CD PRO A 39 13.765 -0.930 -3.750 1.00 0.00 C ATOM 0 HA PRO A 39 12.606 1.846 -2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.879 1.422 -5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.543 1.770 -4.718 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.248 -0.892 -5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.808 -0.296 -5.804 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.575 -2.002 -3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.847 -0.798 -3.762 1.00 0.00 H new ATOM 536 N VAL A 40 10.100 1.800 -3.188 1.00 0.00 N ATOM 537 CA VAL A 40 8.649 1.738 -3.065 1.00 0.00 C ATOM 538 C VAL A 40 8.082 0.544 -3.825 1.00 0.00 C ATOM 539 O VAL A 40 8.245 0.416 -5.039 1.00 0.00 O ATOM 540 CB VAL A 40 7.986 3.027 -3.588 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.472 2.930 -3.482 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.506 4.238 -2.829 1.00 0.00 C ATOM 0 H VAL A 40 10.458 2.700 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 40 8.426 1.628 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 40 8.245 3.147 -4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.021 3.849 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.119 2.086 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.189 2.785 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.028 5.140 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.279 4.128 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.585 4.315 -2.963 1.00 0.00 H new ATOM 552 N PRO A 41 7.401 -0.352 -3.097 1.00 0.00 N ATOM 553 CA PRO A 41 6.795 -1.552 -3.682 1.00 0.00 C ATOM 554 C PRO A 41 5.602 -1.223 -4.573 1.00 0.00 C ATOM 555 O PRO A 41 4.926 -0.214 -4.374 1.00 0.00 O ATOM 556 CB PRO A 41 6.343 -2.353 -2.459 1.00 0.00 C ATOM 557 CG PRO A 41 6.145 -1.335 -1.390 1.00 0.00 C ATOM 558 CD PRO A 41 7.168 -0.262 -1.645 1.00 0.00 C ATOM 0 HA PRO A 41 7.492 -2.088 -4.326 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.421 -2.898 -2.662 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.092 -3.090 -2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.135 -0.927 -1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.279 -1.775 -0.402 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.798 0.722 -1.357 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.083 -0.437 -1.079 1.00 0.00 H new ATOM 566 N ARG A 42 5.349 -2.081 -5.556 1.00 0.00 N ATOM 567 CA ARG A 42 4.238 -1.881 -6.478 1.00 0.00 C ATOM 568 C ARG A 42 2.901 -2.051 -5.763 1.00 0.00 C ATOM 569 O ARG A 42 2.654 -3.073 -5.122 1.00 0.00 O ATOM 570 CB ARG A 42 4.333 -2.866 -7.645 1.00 0.00 C ATOM 571 CG ARG A 42 5.283 -2.418 -8.744 1.00 0.00 C ATOM 572 CD ARG A 42 6.729 -2.729 -8.391 1.00 0.00 C ATOM 573 NE ARG A 42 7.590 -2.744 -9.571 1.00 0.00 N ATOM 574 CZ ARG A 42 8.093 -1.648 -10.127 1.00 0.00 C ATOM 575 NH1 ARG A 42 7.824 -0.456 -9.613 1.00 0.00 N ATOM 576 NH2 ARG A 42 8.868 -1.743 -11.200 1.00 0.00 N ATOM 0 H ARG A 42 5.899 -2.921 -5.734 1.00 0.00 H new ATOM 0 HA ARG A 42 4.297 -0.863 -6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.660 -3.834 -7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.340 -3.009 -8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.020 -2.914 -9.678 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.170 -1.347 -8.910 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.097 -1.986 -7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.780 -3.697 -7.893 1.00 0.00 H new ATOM 0 HE ARG A 42 7.817 -3.645 -9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.229 -0.379 -8.788 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.212 0.384 -10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.078 -2.658 -11.598 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.254 -0.901 -11.627 1.00 0.00 H new ATOM 590 N ILE A 43 2.043 -1.043 -5.878 1.00 0.00 N ATOM 591 CA ILE A 43 0.731 -1.081 -5.243 1.00 0.00 C ATOM 592 C ILE A 43 -0.340 -1.548 -6.223 1.00 0.00 C ATOM 593 O ILE A 43 -0.717 -0.820 -7.143 1.00 0.00 O ATOM 594 CB ILE A 43 0.335 0.298 -4.685 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.479 0.885 -3.856 1.00 0.00 C ATOM 596 CG2 ILE A 43 -0.931 0.188 -3.849 1.00 0.00 C ATOM 597 CD1 ILE A 43 2.013 -0.065 -2.807 1.00 0.00 C ATOM 0 H ILE A 43 2.232 -0.190 -6.405 1.00 0.00 H new ATOM 0 HA ILE A 43 0.800 -1.790 -4.418 1.00 0.00 H new ATOM 0 HB ILE A 43 0.137 0.968 -5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.292 1.170 -4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.133 1.796 -3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.198 1.171 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.744 -0.191 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.760 -0.495 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.822 0.417 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.213 -0.331 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.390 -0.966 -3.290 1.00 0.00 H new ATOM 609 N THR A 44 -0.831 -2.767 -6.019 1.00 0.00 N ATOM 610 CA THR A 44 -1.860 -3.331 -6.883 1.00 0.00 C ATOM 611 C THR A 44 -3.024 -3.879 -6.067 1.00 0.00 C ATOM 612 O THR A 44 -2.833 -4.700 -5.170 1.00 0.00 O ATOM 613 CB THR A 44 -1.294 -4.456 -7.770 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.206 -3.960 -8.556 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.372 -5.019 -8.684 1.00 0.00 C ATOM 0 H THR A 44 -0.532 -3.382 -5.262 1.00 0.00 H new ATOM 0 HA THR A 44 -2.217 -2.521 -7.520 1.00 0.00 H new ATOM 0 HB THR A 44 -0.937 -5.255 -7.121 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.149 -4.682 -9.116 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.949 -5.812 -9.301 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.185 -5.423 -8.081 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.756 -4.226 -9.326 1.00 0.00 H new ATOM 623 N TRP A 45 -4.230 -3.420 -6.382 1.00 0.00 N ATOM 624 CA TRP A 45 -5.426 -3.866 -5.677 1.00 0.00 C ATOM 625 C TRP A 45 -6.159 -4.940 -6.473 1.00 0.00 C ATOM 626 O TRP A 45 -6.442 -4.763 -7.659 1.00 0.00 O ATOM 627 CB TRP A 45 -6.359 -2.683 -5.414 1.00 0.00 C ATOM 628 CG TRP A 45 -5.761 -1.643 -4.516 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.921 -0.630 -4.881 1.00 0.00 C ATOM 630 CD2 TRP A 45 -5.955 -1.516 -3.103 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.581 0.119 -3.780 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.203 -0.403 -2.678 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.692 -2.232 -2.157 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.169 0.007 -1.347 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.657 -1.824 -0.837 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.900 -0.713 -0.442 1.00 0.00 C ATOM 0 H TRP A 45 -4.405 -2.739 -7.121 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.117 -4.295 -4.724 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.626 -2.222 -6.365 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.283 -3.050 -4.967 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.575 -0.445 -5.887 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.965 0.932 -3.783 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.279 -3.089 -2.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.586 0.863 -1.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.223 -2.371 -0.097 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.893 -0.419 0.597 1.00 0.00 H new ATOM 647 N LEU A 46 -6.464 -6.053 -5.815 1.00 0.00 N ATOM 648 CA LEU A 46 -7.165 -7.157 -6.463 1.00 0.00 C ATOM 649 C LEU A 46 -8.523 -7.397 -5.810 1.00 0.00 C ATOM 650 O LEU A 46 -8.611 -7.638 -4.606 1.00 0.00 O ATOM 651 CB LEU A 46 -6.322 -8.432 -6.396 1.00 0.00 C ATOM 652 CG LEU A 46 -4.913 -8.336 -6.981 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.989 -9.346 -6.318 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.945 -8.549 -8.488 1.00 0.00 C ATOM 0 H LEU A 46 -6.237 -6.215 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.326 -6.890 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.241 -8.735 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.857 -9.225 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.526 -7.336 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.991 -9.263 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.941 -9.147 -5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.372 -10.353 -6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.933 -8.477 -8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.352 -9.536 -8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.572 -7.787 -8.950 1.00 0.00 H new ATOM 666 N LEU A 47 -9.579 -7.331 -6.613 1.00 0.00 N ATOM 667 CA LEU A 47 -10.933 -7.543 -6.115 1.00 0.00 C ATOM 668 C LEU A 47 -11.598 -8.716 -6.829 1.00 0.00 C ATOM 669 O LEU A 47 -11.491 -8.855 -8.046 1.00 0.00 O ATOM 670 CB LEU A 47 -11.771 -6.277 -6.301 1.00 0.00 C ATOM 671 CG LEU A 47 -13.282 -6.442 -6.143 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.686 -6.297 -4.684 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.023 -5.431 -7.006 1.00 0.00 C ATOM 0 H LEU A 47 -9.524 -7.132 -7.612 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.870 -7.776 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.430 -5.531 -5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.572 -5.876 -7.295 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.555 -7.443 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.765 -6.418 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.183 -7.060 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.399 -5.309 -4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.098 -5.564 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.744 -4.421 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.759 -5.583 -8.052 1.00 0.00 H new ATOM 685 N ASN A 48 -12.287 -9.555 -6.062 1.00 0.00 N ATOM 686 CA ASN A 48 -12.972 -10.715 -6.621 1.00 0.00 C ATOM 687 C ASN A 48 -12.003 -11.590 -7.410 1.00 0.00 C ATOM 688 O ASN A 48 -12.398 -12.287 -8.343 1.00 0.00 O ATOM 689 CB ASN A 48 -14.123 -10.267 -7.524 1.00 0.00 C ATOM 690 CG ASN A 48 -15.419 -10.082 -6.759 1.00 0.00 C ATOM 691 OD1 ASN A 48 -15.734 -10.854 -5.853 1.00 0.00 O ATOM 692 ND2 ASN A 48 -16.179 -9.055 -7.122 1.00 0.00 N ATOM 0 H ASN A 48 -12.386 -9.453 -5.052 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.374 -11.302 -5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.855 -9.330 -8.012 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.272 -11.005 -8.312 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.063 -8.881 -6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.879 -8.441 -7.879 1.00 0.00 H new ATOM 699 N GLY A 49 -10.730 -11.548 -7.028 1.00 0.00 N ATOM 700 CA GLY A 49 -9.724 -12.342 -7.709 1.00 0.00 C ATOM 701 C GLY A 49 -9.386 -11.795 -9.082 1.00 0.00 C ATOM 702 O GLY A 49 -9.012 -12.547 -9.981 1.00 0.00 O ATOM 0 H GLY A 49 -10.378 -10.978 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.819 -12.375 -7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.080 -13.368 -7.807 1.00 0.00 H new ATOM 706 N GLN A 50 -9.519 -10.482 -9.243 1.00 0.00 N ATOM 707 CA GLN A 50 -9.227 -9.837 -10.518 1.00 0.00 C ATOM 708 C GLN A 50 -8.664 -8.436 -10.302 1.00 0.00 C ATOM 709 O GLN A 50 -9.054 -7.719 -9.380 1.00 0.00 O ATOM 710 CB GLN A 50 -10.490 -9.764 -11.378 1.00 0.00 C ATOM 711 CG GLN A 50 -11.296 -8.492 -11.170 1.00 0.00 C ATOM 712 CD GLN A 50 -12.758 -8.663 -11.530 1.00 0.00 C ATOM 713 OE1 GLN A 50 -13.210 -9.767 -11.833 1.00 0.00 O ATOM 714 NE2 GLN A 50 -13.507 -7.566 -11.500 1.00 0.00 N ATOM 0 H GLN A 50 -9.826 -9.845 -8.508 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.477 -10.435 -11.036 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.209 -9.838 -12.428 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -11.121 -10.624 -11.155 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.216 -8.182 -10.128 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.868 -7.692 -11.774 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.091 -6.671 -11.243 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.498 -7.619 -11.734 1.00 0.00 H new ATOM 723 N PRO A 51 -7.724 -8.035 -11.170 1.00 0.00 N ATOM 724 CA PRO A 51 -7.086 -6.717 -11.095 1.00 0.00 C ATOM 725 C PRO A 51 -8.044 -5.588 -11.460 1.00 0.00 C ATOM 726 O PRO A 51 -8.791 -5.686 -12.435 1.00 0.00 O ATOM 727 CB PRO A 51 -5.955 -6.811 -12.121 1.00 0.00 C ATOM 728 CG PRO A 51 -6.407 -7.847 -13.090 1.00 0.00 C ATOM 729 CD PRO A 51 -7.210 -8.838 -12.293 1.00 0.00 C ATOM 0 HA PRO A 51 -6.746 -6.486 -10.086 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.788 -5.854 -12.615 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.015 -7.095 -11.648 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.010 -7.403 -13.882 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.556 -8.330 -13.570 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.019 -9.267 -12.884 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.594 -9.668 -11.945 1.00 0.00 H new ATOM 737 N ILE A 52 -8.018 -4.518 -10.673 1.00 0.00 N ATOM 738 CA ILE A 52 -8.883 -3.370 -10.916 1.00 0.00 C ATOM 739 C ILE A 52 -8.212 -2.362 -11.842 1.00 0.00 C ATOM 740 O ILE A 52 -7.096 -1.913 -11.581 1.00 0.00 O ATOM 741 CB ILE A 52 -9.268 -2.667 -9.601 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.645 -3.700 -8.537 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.416 -1.696 -9.835 1.00 0.00 C ATOM 744 CD1 ILE A 52 -9.543 -3.174 -7.122 1.00 0.00 C ATOM 0 H ILE A 52 -7.407 -4.422 -9.862 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.786 -3.751 -11.392 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.408 -2.102 -9.243 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.665 -4.040 -8.717 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.996 -4.570 -8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.676 -1.207 -8.896 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.114 -0.944 -10.564 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.282 -2.240 -10.213 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.825 -3.959 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.518 -2.861 -6.923 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.213 -2.322 -7.001 1.00 0.00 H new ATOM 756 N GLN A 53 -8.900 -2.008 -12.922 1.00 0.00 N ATOM 757 CA GLN A 53 -8.370 -1.051 -13.886 1.00 0.00 C ATOM 758 C GLN A 53 -8.903 0.351 -13.609 1.00 0.00 C ATOM 759 O GLN A 53 -8.199 1.343 -13.802 1.00 0.00 O ATOM 760 CB GLN A 53 -8.733 -1.475 -15.310 1.00 0.00 C ATOM 761 CG GLN A 53 -10.207 -1.303 -15.640 1.00 0.00 C ATOM 762 CD GLN A 53 -10.515 -1.578 -17.098 1.00 0.00 C ATOM 763 OE1 GLN A 53 -10.989 -0.700 -17.821 1.00 0.00 O ATOM 764 NE2 GLN A 53 -10.245 -2.800 -17.541 1.00 0.00 N ATOM 0 H GLN A 53 -9.826 -2.369 -13.152 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.285 -1.035 -13.785 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.141 -0.892 -16.016 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.458 -2.520 -15.450 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.796 -1.975 -15.015 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.514 -0.287 -15.393 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.853 -3.497 -16.908 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.430 -3.042 -18.515 1.00 0.00 H new ATOM 773 N TYR A 54 -10.150 0.427 -13.157 1.00 0.00 N ATOM 774 CA TYR A 54 -10.777 1.708 -12.857 1.00 0.00 C ATOM 775 C TYR A 54 -10.502 2.125 -11.415 1.00 0.00 C ATOM 776 O TYR A 54 -11.082 3.088 -10.915 1.00 0.00 O ATOM 777 CB TYR A 54 -12.286 1.629 -13.098 1.00 0.00 C ATOM 778 CG TYR A 54 -12.958 0.492 -12.362 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.014 -0.782 -12.914 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.536 0.691 -11.114 1.00 0.00 C ATOM 781 CE1 TYR A 54 -13.628 -1.824 -12.246 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.151 -0.346 -10.438 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.194 -1.601 -11.009 1.00 0.00 C ATOM 784 OH TYR A 54 -14.805 -2.636 -10.339 1.00 0.00 O ATOM 0 H TYR A 54 -10.746 -0.384 -12.990 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.348 2.458 -13.521 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.744 2.570 -12.792 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.469 1.518 -14.167 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.570 -0.961 -13.882 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.504 1.673 -10.665 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.664 -2.808 -12.690 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.595 -0.175 -9.469 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.151 -2.311 -9.482 1.00 0.00 H new ATOM 794 N ALA A 55 -9.613 1.392 -10.754 1.00 0.00 N ATOM 795 CA ALA A 55 -9.257 1.685 -9.371 1.00 0.00 C ATOM 796 C ALA A 55 -8.568 3.041 -9.258 1.00 0.00 C ATOM 797 O ALA A 55 -7.826 3.447 -10.153 1.00 0.00 O ATOM 798 CB ALA A 55 -8.364 0.588 -8.811 1.00 0.00 C ATOM 0 H ALA A 55 -9.126 0.590 -11.154 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.176 1.723 -8.785 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.106 0.821 -7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.892 -0.365 -8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.453 0.521 -9.406 1.00 0.00 H new ATOM 804 N ARG A 56 -8.817 3.736 -8.153 1.00 0.00 N ATOM 805 CA ARG A 56 -8.221 5.046 -7.924 1.00 0.00 C ATOM 806 C ARG A 56 -7.148 4.975 -6.841 1.00 0.00 C ATOM 807 O ARG A 56 -7.007 5.891 -6.032 1.00 0.00 O ATOM 808 CB ARG A 56 -9.298 6.057 -7.524 1.00 0.00 C ATOM 809 CG ARG A 56 -9.036 7.462 -8.042 1.00 0.00 C ATOM 810 CD ARG A 56 -9.638 8.515 -7.124 1.00 0.00 C ATOM 811 NE ARG A 56 -11.098 8.495 -7.151 1.00 0.00 N ATOM 812 CZ ARG A 56 -11.858 9.255 -6.371 1.00 0.00 C ATOM 813 NH1 ARG A 56 -11.299 10.091 -5.507 1.00 0.00 N ATOM 814 NH2 ARG A 56 -13.180 9.180 -6.455 1.00 0.00 N ATOM 0 H ARG A 56 -9.428 3.413 -7.402 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.753 5.371 -8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.263 5.715 -7.898 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.370 6.087 -6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.962 7.625 -8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.456 7.567 -9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.292 8.347 -6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.283 9.502 -7.423 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.559 7.863 -7.805 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.283 10.152 -5.440 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.885 10.674 -4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.613 8.538 -7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.763 9.764 -5.856 1.00 0.00 H new ATOM 828 N SER A 57 -6.396 3.879 -6.832 1.00 0.00 N ATOM 829 CA SER A 57 -5.340 3.685 -5.846 1.00 0.00 C ATOM 830 C SER A 57 -4.379 4.870 -5.839 1.00 0.00 C ATOM 831 O SER A 57 -4.054 5.428 -6.888 1.00 0.00 O ATOM 832 CB SER A 57 -4.573 2.393 -6.136 1.00 0.00 C ATOM 833 OG SER A 57 -3.997 2.422 -7.431 1.00 0.00 O ATOM 0 H SER A 57 -6.499 3.112 -7.497 1.00 0.00 H new ATOM 0 HA SER A 57 -5.804 3.610 -4.863 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.791 2.255 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.246 1.540 -6.053 1.00 0.00 H new ATOM 0 HG SER A 57 -3.511 1.586 -7.592 1.00 0.00 H new ATOM 839 N THR A 58 -3.926 5.250 -4.648 1.00 0.00 N ATOM 840 CA THR A 58 -3.003 6.368 -4.503 1.00 0.00 C ATOM 841 C THR A 58 -2.032 6.135 -3.351 1.00 0.00 C ATOM 842 O THR A 58 -2.429 6.121 -2.185 1.00 0.00 O ATOM 843 CB THR A 58 -3.756 7.691 -4.264 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.682 7.538 -3.183 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.500 8.124 -5.518 1.00 0.00 C ATOM 0 H THR A 58 -4.184 4.799 -3.770 1.00 0.00 H new ATOM 0 HA THR A 58 -2.445 6.439 -5.436 1.00 0.00 H new ATOM 0 HB THR A 58 -3.025 8.459 -4.011 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.236 7.097 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.024 9.060 -5.325 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.789 8.267 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.221 7.356 -5.797 1.00 0.00 H new ATOM 853 N CYS A 59 -0.759 5.952 -3.684 1.00 0.00 N ATOM 854 CA CYS A 59 0.269 5.718 -2.676 1.00 0.00 C ATOM 855 C CYS A 59 1.049 6.997 -2.389 1.00 0.00 C ATOM 856 O CYS A 59 1.662 7.576 -3.285 1.00 0.00 O ATOM 857 CB CYS A 59 1.224 4.617 -3.138 1.00 0.00 C ATOM 858 SG CYS A 59 2.159 5.028 -4.630 1.00 0.00 S ATOM 0 H CYS A 59 -0.414 5.961 -4.644 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.223 5.400 -1.757 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.925 4.397 -2.332 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.652 3.707 -3.320 1.00 0.00 H new ATOM 0 HG CYS A 59 2.233 6.320 -4.754 1.00 0.00 H new ATOM 864 N GLU A 60 1.018 7.433 -1.133 1.00 0.00 N ATOM 865 CA GLU A 60 1.721 8.645 -0.729 1.00 0.00 C ATOM 866 C GLU A 60 2.594 8.385 0.495 1.00 0.00 C ATOM 867 O GLU A 60 2.098 8.010 1.557 1.00 0.00 O ATOM 868 CB GLU A 60 0.721 9.764 -0.428 1.00 0.00 C ATOM 869 CG GLU A 60 0.358 10.599 -1.644 1.00 0.00 C ATOM 870 CD GLU A 60 -1.041 11.177 -1.558 1.00 0.00 C ATOM 871 OE1 GLU A 60 -2.007 10.387 -1.496 1.00 0.00 O ATOM 872 OE2 GLU A 60 -1.171 12.419 -1.553 1.00 0.00 O ATOM 0 H GLU A 60 0.514 6.966 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 60 2.364 8.954 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.187 9.326 -0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.139 10.416 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.077 11.411 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.438 9.983 -2.540 1.00 0.00 H new ATOM 879 N ALA A 61 3.898 8.588 0.338 1.00 0.00 N ATOM 880 CA ALA A 61 4.841 8.377 1.429 1.00 0.00 C ATOM 881 C ALA A 61 4.657 6.999 2.055 1.00 0.00 C ATOM 882 O ALA A 61 4.734 6.844 3.273 1.00 0.00 O ATOM 883 CB ALA A 61 4.680 9.463 2.483 1.00 0.00 C ATOM 0 H ALA A 61 4.325 8.898 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 61 5.850 8.429 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.390 9.293 3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.869 10.438 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.665 9.437 2.880 1.00 0.00 H new ATOM 889 N GLY A 62 4.414 5.999 1.213 1.00 0.00 N ATOM 890 CA GLY A 62 4.222 4.646 1.703 1.00 0.00 C ATOM 891 C GLY A 62 2.863 4.449 2.343 1.00 0.00 C ATOM 892 O GLY A 62 2.725 3.691 3.304 1.00 0.00 O ATOM 0 H GLY A 62 4.347 6.102 0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.336 3.944 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.000 4.412 2.430 1.00 0.00 H new ATOM 896 N VAL A 63 1.855 5.134 1.812 1.00 0.00 N ATOM 897 CA VAL A 63 0.499 5.031 2.339 1.00 0.00 C ATOM 898 C VAL A 63 -0.494 4.687 1.235 1.00 0.00 C ATOM 899 O VAL A 63 -1.035 5.573 0.574 1.00 0.00 O ATOM 900 CB VAL A 63 0.060 6.341 3.020 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.364 6.222 3.540 1.00 0.00 C ATOM 902 CG2 VAL A 63 1.019 6.703 4.144 1.00 0.00 C ATOM 0 H VAL A 63 1.952 5.766 1.017 1.00 0.00 H new ATOM 0 HA VAL A 63 0.507 4.231 3.079 1.00 0.00 H new ATOM 0 HB VAL A 63 0.084 7.141 2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.656 7.157 4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.038 6.013 2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.420 5.411 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.694 7.631 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.029 5.904 4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.022 6.834 3.738 1.00 0.00 H new ATOM 912 N ALA A 64 -0.731 3.394 1.042 1.00 0.00 N ATOM 913 CA ALA A 64 -1.662 2.932 0.019 1.00 0.00 C ATOM 914 C ALA A 64 -3.099 3.293 0.382 1.00 0.00 C ATOM 915 O ALA A 64 -3.545 3.051 1.503 1.00 0.00 O ATOM 916 CB ALA A 64 -1.527 1.430 -0.178 1.00 0.00 C ATOM 0 H ALA A 64 -0.291 2.647 1.580 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.414 3.433 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.228 1.099 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.510 1.194 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.747 0.919 0.759 1.00 0.00 H new ATOM 922 N GLU A 65 -3.818 3.874 -0.574 1.00 0.00 N ATOM 923 CA GLU A 65 -5.204 4.269 -0.353 1.00 0.00 C ATOM 924 C GLU A 65 -6.029 4.093 -1.624 1.00 0.00 C ATOM 925 O GLU A 65 -5.638 4.547 -2.700 1.00 0.00 O ATOM 926 CB GLU A 65 -5.274 5.724 0.116 1.00 0.00 C ATOM 927 CG GLU A 65 -4.220 6.081 1.150 1.00 0.00 C ATOM 928 CD GLU A 65 -4.641 7.235 2.039 1.00 0.00 C ATOM 929 OE1 GLU A 65 -5.812 7.251 2.474 1.00 0.00 O ATOM 930 OE2 GLU A 65 -3.802 8.122 2.299 1.00 0.00 O ATOM 0 H GLU A 65 -3.464 4.081 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.620 3.624 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.162 6.381 -0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.262 5.915 0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.013 5.208 1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.291 6.339 0.642 1.00 0.00 H new ATOM 937 N LEU A 66 -7.172 3.430 -1.493 1.00 0.00 N ATOM 938 CA LEU A 66 -8.054 3.192 -2.630 1.00 0.00 C ATOM 939 C LEU A 66 -9.450 3.747 -2.363 1.00 0.00 C ATOM 940 O LEU A 66 -10.224 3.169 -1.600 1.00 0.00 O ATOM 941 CB LEU A 66 -8.138 1.695 -2.932 1.00 0.00 C ATOM 942 CG LEU A 66 -9.056 1.293 -4.086 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.363 1.512 -5.422 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.492 -0.158 -3.942 1.00 0.00 C ATOM 0 H LEU A 66 -7.510 3.047 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.637 3.708 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.134 1.332 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.474 1.181 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.944 1.924 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.032 1.220 -6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.103 2.565 -5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.457 0.908 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.145 -0.426 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.614 -0.804 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.030 -0.285 -3.002 1.00 0.00 H new ATOM 956 N HIS A 67 -9.765 4.871 -2.999 1.00 0.00 N ATOM 957 CA HIS A 67 -11.069 5.503 -2.832 1.00 0.00 C ATOM 958 C HIS A 67 -12.096 4.888 -3.778 1.00 0.00 C ATOM 959 O HIS A 67 -11.872 4.808 -4.986 1.00 0.00 O ATOM 960 CB HIS A 67 -10.966 7.008 -3.083 1.00 0.00 C ATOM 961 CG HIS A 67 -9.858 7.667 -2.321 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.078 8.592 -1.322 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.514 7.530 -2.415 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.918 8.996 -0.836 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.953 8.366 -1.482 1.00 0.00 N ATOM 0 H HIS A 67 -9.136 5.362 -3.634 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.398 5.334 -1.807 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.816 7.181 -4.149 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.911 7.479 -2.814 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.982 6.883 -3.097 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.782 9.719 -0.045 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.954 8.482 -1.315 1.00 0.00 H new ATOM 974 N ILE A 68 -13.221 4.454 -3.220 1.00 0.00 N ATOM 975 CA ILE A 68 -14.282 3.846 -4.013 1.00 0.00 C ATOM 976 C ILE A 68 -15.613 4.556 -3.789 1.00 0.00 C ATOM 977 O ILE A 68 -16.295 4.316 -2.793 1.00 0.00 O ATOM 978 CB ILE A 68 -14.449 2.351 -3.680 1.00 0.00 C ATOM 979 CG1 ILE A 68 -13.131 1.607 -3.907 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.560 1.742 -4.522 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.709 1.553 -5.358 1.00 0.00 C ATOM 0 H ILE A 68 -13.421 4.512 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 68 -13.990 3.947 -5.058 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.723 2.255 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.346 2.091 -3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.227 0.590 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.666 0.686 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.497 2.259 -4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.314 1.845 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.767 1.011 -5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.475 1.042 -5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.580 2.567 -5.737 1.00 0.00 H new ATOM 993 N GLN A 69 -15.975 5.431 -4.722 1.00 0.00 N ATOM 994 CA GLN A 69 -17.225 6.176 -4.626 1.00 0.00 C ATOM 995 C GLN A 69 -18.390 5.357 -5.172 1.00 0.00 C ATOM 996 O GLN A 69 -18.198 4.448 -5.980 1.00 0.00 O ATOM 997 CB GLN A 69 -17.115 7.498 -5.386 1.00 0.00 C ATOM 998 CG GLN A 69 -16.950 7.325 -6.887 1.00 0.00 C ATOM 999 CD GLN A 69 -17.386 8.549 -7.668 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -18.412 8.533 -8.349 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -16.607 9.620 -7.573 1.00 0.00 N ATOM 0 H GLN A 69 -15.421 5.641 -5.552 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.414 6.385 -3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -18.007 8.094 -5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.266 8.061 -4.998 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.905 7.109 -7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.531 6.463 -7.215 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.766 9.589 -6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.850 10.474 -8.076 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.597 5.684 -4.725 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.794 4.979 -5.169 1.00 0.00 C ATOM 1012 C ASP A 70 -20.690 3.487 -4.867 1.00 0.00 C ATOM 1013 O ASP A 70 -20.920 2.650 -5.739 1.00 0.00 O ATOM 1014 CB ASP A 70 -21.012 5.194 -6.668 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.852 6.421 -6.961 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -21.391 7.542 -6.660 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -22.971 6.261 -7.491 1.00 0.00 O ATOM 0 H ASP A 70 -19.773 6.433 -4.055 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.647 5.383 -4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.045 5.293 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -21.498 4.315 -7.091 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.341 3.163 -3.626 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.208 1.773 -3.208 1.00 0.00 C ATOM 1024 C ALA A 71 -21.475 0.983 -3.516 1.00 0.00 C ATOM 1025 O ALA A 71 -22.427 0.988 -2.734 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.883 1.697 -1.724 1.00 0.00 C ATOM 0 H ALA A 71 -20.145 3.844 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.388 1.327 -3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.787 0.653 -1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.946 2.218 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.684 2.165 -1.152 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.482 0.306 -4.659 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.634 -0.489 -5.070 1.00 0.00 C ATOM 1034 C LEU A 72 -22.657 -1.830 -4.345 1.00 0.00 C ATOM 1035 O LEU A 72 -21.631 -2.333 -3.885 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.608 -0.715 -6.583 1.00 0.00 C ATOM 1037 CG LEU A 72 -23.113 0.444 -7.443 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.787 0.203 -8.909 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.611 0.636 -7.253 1.00 0.00 C ATOM 0 H LEU A 72 -20.703 0.292 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.537 0.061 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.584 -0.941 -6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.207 -1.597 -6.809 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.606 1.355 -7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.154 1.038 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.707 0.116 -9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -23.266 -0.718 -9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.953 1.465 -7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -25.134 -0.275 -7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.820 0.855 -6.206 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.854 -2.427 -4.240 1.00 0.00 N ATOM 1052 CA PRO A 73 -24.039 -3.719 -3.574 1.00 0.00 C ATOM 1053 C PRO A 73 -23.425 -4.871 -4.363 1.00 0.00 C ATOM 1054 O PRO A 73 -23.299 -5.985 -3.855 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.561 -3.869 -3.507 1.00 0.00 C ATOM 1056 CG PRO A 73 -26.073 -3.039 -4.633 1.00 0.00 C ATOM 1057 CD PRO A 73 -25.118 -1.885 -4.765 1.00 0.00 C ATOM 0 HA PRO A 73 -23.551 -3.749 -2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.861 -4.911 -3.615 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.951 -3.522 -2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -26.116 -3.617 -5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -27.084 -2.687 -4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -25.017 -1.563 -5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.452 -1.019 -4.193 1.00 0.00 H new ATOM 1065 N GLU A 74 -23.044 -4.594 -5.606 1.00 0.00 N ATOM 1066 CA GLU A 74 -22.443 -5.608 -6.464 1.00 0.00 C ATOM 1067 C GLU A 74 -20.931 -5.419 -6.555 1.00 0.00 C ATOM 1068 O GLU A 74 -20.238 -6.186 -7.223 1.00 0.00 O ATOM 1069 CB GLU A 74 -23.060 -5.555 -7.863 1.00 0.00 C ATOM 1070 CG GLU A 74 -22.805 -4.246 -8.591 1.00 0.00 C ATOM 1071 CD GLU A 74 -23.485 -4.190 -9.946 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -24.711 -4.416 -10.005 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -22.789 -3.919 -10.947 1.00 0.00 O ATOM 0 H GLU A 74 -23.141 -3.676 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.643 -6.585 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.661 -6.376 -8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.136 -5.713 -7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.159 -3.418 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.731 -4.110 -8.721 1.00 0.00 H new ATOM 1080 N ASP A 75 -20.429 -4.391 -5.880 1.00 0.00 N ATOM 1081 CA ASP A 75 -19.000 -4.100 -5.883 1.00 0.00 C ATOM 1082 C ASP A 75 -18.302 -4.789 -4.715 1.00 0.00 C ATOM 1083 O ASP A 75 -17.131 -5.159 -4.808 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.765 -2.590 -5.814 1.00 0.00 C ATOM 1085 CG ASP A 75 -17.345 -2.242 -5.416 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -16.956 -2.554 -4.271 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -16.621 -1.658 -6.249 1.00 0.00 O ATOM 0 H ASP A 75 -20.990 -3.746 -5.324 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.579 -4.484 -6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.986 -2.146 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -19.458 -2.150 -5.097 1.00 0.00 H new ATOM 1092 N HIS A 76 -19.028 -4.958 -3.614 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.478 -5.603 -2.427 1.00 0.00 C ATOM 1094 C HIS A 76 -17.786 -6.913 -2.791 1.00 0.00 C ATOM 1095 O HIS A 76 -18.154 -7.571 -3.764 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.584 -5.864 -1.404 1.00 0.00 C ATOM 1097 CG HIS A 76 -20.262 -7.188 -1.580 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.750 -7.629 -2.791 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -20.530 -8.170 -0.687 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -21.290 -8.825 -2.637 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -21.170 -9.176 -1.369 1.00 0.00 N ATOM 0 H HIS A 76 -19.998 -4.657 -3.519 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.739 -4.932 -1.989 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.160 -5.813 -0.401 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.329 -5.071 -1.476 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.286 -8.163 0.365 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.751 -9.415 -3.415 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.499 -10.052 -0.963 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.782 -7.285 -2.004 1.00 0.00 N ATOM 1111 CA GLY A 77 -16.054 -8.514 -2.261 1.00 0.00 C ATOM 1112 C GLY A 77 -14.868 -8.691 -1.333 1.00 0.00 C ATOM 1113 O GLY A 77 -14.997 -8.561 -0.116 1.00 0.00 O ATOM 0 H GLY A 77 -16.459 -6.757 -1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.729 -9.363 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.707 -8.517 -3.294 1.00 0.00 H new ATOM 1117 N THR A 78 -13.708 -8.989 -1.909 1.00 0.00 N ATOM 1118 CA THR A 78 -12.494 -9.187 -1.126 1.00 0.00 C ATOM 1119 C THR A 78 -11.314 -8.446 -1.744 1.00 0.00 C ATOM 1120 O THR A 78 -10.708 -8.916 -2.707 1.00 0.00 O ATOM 1121 CB THR A 78 -12.141 -10.681 -1.005 1.00 0.00 C ATOM 1122 OG1 THR A 78 -13.291 -11.425 -0.587 1.00 0.00 O ATOM 1123 CG2 THR A 78 -11.007 -10.890 -0.013 1.00 0.00 C ATOM 0 H THR A 78 -13.583 -9.099 -2.915 1.00 0.00 H new ATOM 0 HA THR A 78 -12.691 -8.786 -0.132 1.00 0.00 H new ATOM 0 HB THR A 78 -11.817 -11.035 -1.984 1.00 0.00 H new ATOM 0 HG1 THR A 78 -13.058 -12.374 -0.514 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.775 -11.953 0.056 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.124 -10.347 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.308 -10.520 0.967 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.993 -7.284 -1.185 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.886 -6.477 -1.683 1.00 0.00 C ATOM 1133 C TYR A 79 -8.548 -7.026 -1.196 1.00 0.00 C ATOM 1134 O TYR A 79 -8.454 -7.586 -0.103 1.00 0.00 O ATOM 1135 CB TYR A 79 -10.046 -5.023 -1.236 1.00 0.00 C ATOM 1136 CG TYR A 79 -11.099 -4.264 -2.011 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.447 -4.396 -1.703 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -10.745 -3.413 -3.051 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.412 -3.705 -2.409 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -11.703 -2.716 -3.762 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.036 -2.866 -3.438 1.00 0.00 C ATOM 1142 OH TYR A 79 -13.994 -2.175 -4.142 1.00 0.00 O ATOM 0 H TYR A 79 -11.484 -6.880 -0.387 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.901 -6.520 -2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.302 -5.003 -0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.089 -4.512 -1.342 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.746 -5.050 -0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.703 -3.294 -3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.456 -3.821 -2.157 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.410 -2.058 -4.567 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.878 -2.551 -3.947 1.00 0.00 H new ATOM 1152 N THR A 80 -7.514 -6.861 -2.015 1.00 0.00 N ATOM 1153 CA THR A 80 -6.182 -7.340 -1.669 1.00 0.00 C ATOM 1154 C THR A 80 -5.104 -6.420 -2.232 1.00 0.00 C ATOM 1155 O THR A 80 -5.037 -6.193 -3.440 1.00 0.00 O ATOM 1156 CB THR A 80 -5.945 -8.769 -2.192 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.997 -9.634 -1.748 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.604 -9.306 -1.714 1.00 0.00 C ATOM 0 H THR A 80 -7.574 -6.399 -2.923 1.00 0.00 H new ATOM 0 HA THR A 80 -6.121 -7.345 -0.581 1.00 0.00 H new ATOM 0 HB THR A 80 -5.937 -8.736 -3.281 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.840 -10.540 -2.086 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.460 -10.316 -2.096 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.803 -8.662 -2.078 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.587 -9.324 -0.624 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.262 -5.894 -1.349 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.187 -4.998 -1.758 1.00 0.00 C ATOM 1168 C CYS A 81 -1.840 -5.714 -1.724 1.00 0.00 C ATOM 1169 O CYS A 81 -1.358 -6.102 -0.658 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.147 -3.767 -0.852 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.073 -2.442 -1.452 1.00 0.00 S ATOM 0 H CYS A 81 -4.303 -6.073 -0.346 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.383 -4.679 -2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.159 -3.378 -0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.812 -4.070 0.140 1.00 0.00 H new ATOM 0 HG CYS A 81 -2.797 -1.509 -1.995 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.238 -5.887 -2.895 1.00 0.00 N ATOM 1178 CA LEU A 82 0.054 -6.557 -2.999 1.00 0.00 C ATOM 1179 C LEU A 82 1.186 -5.543 -3.123 1.00 0.00 C ATOM 1180 O LEU A 82 1.202 -4.725 -4.043 1.00 0.00 O ATOM 1181 CB LEU A 82 0.065 -7.501 -4.204 1.00 0.00 C ATOM 1182 CG LEU A 82 1.433 -8.042 -4.620 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.080 -8.797 -3.470 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.302 -8.938 -5.843 1.00 0.00 C ATOM 0 H LEU A 82 -1.623 -5.573 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 82 0.209 -7.136 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.586 -8.347 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.370 -6.977 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 82 2.073 -7.199 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.053 -9.175 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.209 -8.126 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.443 -9.632 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.285 -9.314 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.645 -9.777 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.881 -8.366 -6.670 1.00 0.00 H new ATOM 1196 N ALA A 83 2.132 -5.604 -2.192 1.00 0.00 N ATOM 1197 CA ALA A 83 3.271 -4.694 -2.200 1.00 0.00 C ATOM 1198 C ALA A 83 4.588 -5.462 -2.196 1.00 0.00 C ATOM 1199 O ALA A 83 5.011 -5.980 -1.163 1.00 0.00 O ATOM 1200 CB ALA A 83 3.203 -3.753 -1.005 1.00 0.00 C ATOM 0 H ALA A 83 2.132 -6.274 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 83 3.227 -4.105 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.059 -3.079 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.282 -3.171 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.218 -4.334 -0.083 1.00 0.00 H new ATOM 1206 N GLU A 84 5.231 -5.531 -3.358 1.00 0.00 N ATOM 1207 CA GLU A 84 6.500 -6.238 -3.487 1.00 0.00 C ATOM 1208 C GLU A 84 7.532 -5.376 -4.206 1.00 0.00 C ATOM 1209 O GLU A 84 7.185 -4.536 -5.036 1.00 0.00 O ATOM 1210 CB GLU A 84 6.301 -7.554 -4.243 1.00 0.00 C ATOM 1211 CG GLU A 84 5.934 -7.365 -5.706 1.00 0.00 C ATOM 1212 CD GLU A 84 5.414 -8.638 -6.345 1.00 0.00 C ATOM 1213 OE1 GLU A 84 5.961 -9.720 -6.045 1.00 0.00 O ATOM 1214 OE2 GLU A 84 4.459 -8.552 -7.146 1.00 0.00 O ATOM 0 H GLU A 84 4.894 -5.106 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 84 6.869 -6.456 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.217 -8.142 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.517 -8.131 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.177 -6.585 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.810 -7.019 -6.255 1.00 0.00 H new ATOM 1221 N ASN A 85 8.803 -5.590 -3.882 1.00 0.00 N ATOM 1222 CA ASN A 85 9.887 -4.832 -4.496 1.00 0.00 C ATOM 1223 C ASN A 85 11.063 -5.742 -4.837 1.00 0.00 C ATOM 1224 O ASN A 85 10.985 -6.960 -4.675 1.00 0.00 O ATOM 1225 CB ASN A 85 10.349 -3.713 -3.560 1.00 0.00 C ATOM 1226 CG ASN A 85 11.026 -4.245 -2.312 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.321 -5.437 -2.213 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.277 -3.362 -1.353 1.00 0.00 N ATOM 0 H ASN A 85 9.108 -6.282 -3.198 1.00 0.00 H new ATOM 0 HA ASN A 85 9.511 -4.392 -5.420 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.039 -3.059 -4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.491 -3.105 -3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.732 -3.661 -0.491 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.015 -2.384 -1.479 1.00 0.00 H new ATOM 1235 N ALA A 86 12.151 -5.143 -5.309 1.00 0.00 N ATOM 1236 CA ALA A 86 13.344 -5.899 -5.670 1.00 0.00 C ATOM 1237 C ALA A 86 13.920 -6.626 -4.459 1.00 0.00 C ATOM 1238 O ALA A 86 14.688 -7.579 -4.602 1.00 0.00 O ATOM 1239 CB ALA A 86 14.389 -4.977 -6.280 1.00 0.00 C ATOM 0 H ALA A 86 12.231 -4.136 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 86 13.060 -6.647 -6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.274 -5.555 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.982 -4.507 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.661 -4.207 -5.558 1.00 0.00 H new ATOM 1245 N LEU A 87 13.546 -6.171 -3.269 1.00 0.00 N ATOM 1246 CA LEU A 87 14.027 -6.779 -2.032 1.00 0.00 C ATOM 1247 C LEU A 87 13.161 -7.971 -1.639 1.00 0.00 C ATOM 1248 O LEU A 87 13.567 -9.123 -1.790 1.00 0.00 O ATOM 1249 CB LEU A 87 14.036 -5.746 -0.904 1.00 0.00 C ATOM 1250 CG LEU A 87 15.260 -4.832 -0.840 1.00 0.00 C ATOM 1251 CD1 LEU A 87 16.357 -5.467 0.000 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.769 -4.524 -2.240 1.00 0.00 C ATOM 0 H LEU A 87 12.912 -5.384 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 87 15.044 -7.133 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.147 -5.123 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.952 -6.274 0.046 1.00 0.00 H new ATOM 0 HG LEU A 87 14.965 -3.895 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 87 17.220 -4.802 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.989 -5.636 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.650 -6.419 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.640 -3.872 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 87 16.047 -5.453 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.985 -4.026 -2.811 1.00 0.00 H new ATOM 1264 N GLY A 88 11.963 -7.686 -1.136 1.00 0.00 N ATOM 1265 CA GLY A 88 11.058 -8.746 -0.731 1.00 0.00 C ATOM 1266 C GLY A 88 9.693 -8.621 -1.378 1.00 0.00 C ATOM 1267 O GLY A 88 9.536 -7.921 -2.378 1.00 0.00 O ATOM 0 H GLY A 88 11.604 -6.741 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.493 -9.711 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.946 -8.729 0.353 1.00 0.00 H new ATOM 1271 N GLN A 89 8.705 -9.303 -0.809 1.00 0.00 N ATOM 1272 CA GLN A 89 7.347 -9.267 -1.339 1.00 0.00 C ATOM 1273 C GLN A 89 6.331 -9.625 -0.260 1.00 0.00 C ATOM 1274 O GLN A 89 6.460 -10.647 0.414 1.00 0.00 O ATOM 1275 CB GLN A 89 7.213 -10.229 -2.521 1.00 0.00 C ATOM 1276 CG GLN A 89 7.595 -11.662 -2.186 1.00 0.00 C ATOM 1277 CD GLN A 89 7.307 -12.624 -3.322 1.00 0.00 C ATOM 1278 OE1 GLN A 89 8.153 -13.440 -3.689 1.00 0.00 O ATOM 1279 NE2 GLN A 89 6.108 -12.533 -3.886 1.00 0.00 N ATOM 0 H GLN A 89 8.819 -9.887 0.019 1.00 0.00 H new ATOM 0 HA GLN A 89 7.144 -8.252 -1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.184 -10.210 -2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.841 -9.876 -3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.656 -11.703 -1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.050 -11.981 -1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.437 -11.842 -3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.858 -13.154 -4.655 1.00 0.00 H new ATOM 1288 N VAL A 90 5.321 -8.776 -0.101 1.00 0.00 N ATOM 1289 CA VAL A 90 4.282 -9.002 0.897 1.00 0.00 C ATOM 1290 C VAL A 90 2.910 -8.608 0.361 1.00 0.00 C ATOM 1291 O VAL A 90 2.793 -7.714 -0.478 1.00 0.00 O ATOM 1292 CB VAL A 90 4.562 -8.213 2.189 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.930 -8.572 2.748 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.458 -6.717 1.932 1.00 0.00 C ATOM 0 H VAL A 90 5.200 -7.925 -0.650 1.00 0.00 H new ATOM 0 HA VAL A 90 4.288 -10.068 1.123 1.00 0.00 H new ATOM 0 HB VAL A 90 3.811 -8.485 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.110 -8.005 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.964 -9.638 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.698 -8.331 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.659 -6.174 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.186 -6.426 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.454 -6.477 1.581 1.00 0.00 H new ATOM 1304 N SER A 91 1.873 -9.280 0.851 1.00 0.00 N ATOM 1305 CA SER A 91 0.509 -9.002 0.419 1.00 0.00 C ATOM 1306 C SER A 91 -0.459 -9.076 1.596 1.00 0.00 C ATOM 1307 O SER A 91 -0.175 -9.716 2.609 1.00 0.00 O ATOM 1308 CB SER A 91 0.084 -9.992 -0.668 1.00 0.00 C ATOM 1309 OG SER A 91 -0.134 -11.283 -0.125 1.00 0.00 O ATOM 0 H SER A 91 1.952 -10.021 1.548 1.00 0.00 H new ATOM 0 HA SER A 91 0.482 -7.992 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.827 -9.638 -1.150 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.853 -10.043 -1.439 1.00 0.00 H new ATOM 0 HG SER A 91 -0.406 -11.897 -0.839 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.603 -8.415 1.455 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.614 -8.404 2.506 1.00 0.00 C ATOM 1317 C CYS A 92 -4.014 -8.285 1.912 1.00 0.00 C ATOM 1318 O CYS A 92 -4.215 -7.616 0.899 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.358 -7.250 3.476 1.00 0.00 C ATOM 1320 SG CYS A 92 -2.603 -5.610 2.754 1.00 0.00 S ATOM 0 H CYS A 92 -1.853 -7.880 0.623 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.549 -9.347 3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -3.019 -7.359 4.336 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.336 -7.322 3.848 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.451 -5.099 2.437 1.00 0.00 H new ATOM 1326 N SER A 93 -4.980 -8.939 2.550 1.00 0.00 N ATOM 1327 CA SER A 93 -6.360 -8.910 2.083 1.00 0.00 C ATOM 1328 C SER A 93 -7.277 -8.289 3.132 1.00 0.00 C ATOM 1329 O SER A 93 -6.921 -8.197 4.307 1.00 0.00 O ATOM 1330 CB SER A 93 -6.836 -10.325 1.746 1.00 0.00 C ATOM 1331 OG SER A 93 -6.825 -11.154 2.896 1.00 0.00 O ATOM 0 H SER A 93 -4.831 -9.495 3.392 1.00 0.00 H new ATOM 0 HA SER A 93 -6.400 -8.296 1.183 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.844 -10.284 1.333 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.193 -10.755 0.978 1.00 0.00 H new ATOM 0 HG SER A 93 -7.135 -12.052 2.655 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.460 -7.865 2.699 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.429 -7.254 3.601 1.00 0.00 C ATOM 1339 C ALA A 94 -10.853 -7.461 3.097 1.00 0.00 C ATOM 1340 O ALA A 94 -11.143 -7.243 1.920 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.135 -5.771 3.765 1.00 0.00 C ATOM 0 H ALA A 94 -8.770 -7.933 1.730 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.341 -7.740 4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.866 -5.328 4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.134 -5.642 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.193 -5.279 2.794 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.737 -7.883 3.993 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.132 -8.120 3.638 1.00 0.00 C ATOM 1349 C TRP A 95 -13.947 -6.836 3.747 1.00 0.00 C ATOM 1350 O TRP A 95 -13.882 -6.132 4.755 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.733 -9.199 4.541 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.231 -9.175 4.577 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.019 -8.637 5.555 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -16.121 -9.716 3.595 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.345 -8.810 5.239 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -17.434 -9.468 4.041 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -15.937 -10.383 2.381 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -18.554 -9.866 3.315 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -17.049 -10.777 1.662 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -18.344 -10.517 2.130 1.00 0.00 C ATOM 0 H TRP A 95 -11.513 -8.068 4.971 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.165 -8.462 2.604 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -13.400 -10.178 4.196 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.350 -9.070 5.553 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -15.653 -8.148 6.446 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.135 -8.499 5.805 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -14.943 -10.587 2.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -19.553 -9.668 3.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -16.918 -11.294 0.723 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -19.193 -10.837 1.544 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.715 -6.538 2.704 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.544 -5.338 2.684 1.00 0.00 C ATOM 1373 C VAL A 96 -17.020 -5.693 2.535 1.00 0.00 C ATOM 1374 O VAL A 96 -17.379 -6.597 1.780 1.00 0.00 O ATOM 1375 CB VAL A 96 -15.136 -4.393 1.539 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -15.880 -3.070 1.647 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.631 -4.169 1.544 1.00 0.00 C ATOM 0 H VAL A 96 -14.781 -7.110 1.862 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.390 -4.830 3.636 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.408 -4.859 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.579 -2.415 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.953 -3.251 1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.642 -2.595 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.360 -3.499 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.332 -3.724 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -13.121 -5.123 1.414 1.00 0.00 H new ATOM 1387 N THR A 97 -17.872 -4.974 3.258 1.00 0.00 N ATOM 1388 CA THR A 97 -19.309 -5.212 3.207 1.00 0.00 C ATOM 1389 C THR A 97 -20.067 -3.930 2.882 1.00 0.00 C ATOM 1390 O THR A 97 -19.834 -2.887 3.493 1.00 0.00 O ATOM 1391 CB THR A 97 -19.832 -5.781 4.539 1.00 0.00 C ATOM 1392 OG1 THR A 97 -19.309 -7.098 4.748 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.352 -5.826 4.549 1.00 0.00 C ATOM 0 H THR A 97 -17.592 -4.221 3.887 1.00 0.00 H new ATOM 0 HA THR A 97 -19.481 -5.943 2.417 1.00 0.00 H new ATOM 0 HB THR A 97 -19.499 -5.126 5.344 1.00 0.00 H new ATOM 0 HG1 THR A 97 -18.331 -7.073 4.700 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.698 -6.231 5.500 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.747 -4.818 4.419 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.703 -6.461 3.735 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.978 -4.015 1.918 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.773 -2.862 1.513 1.00 0.00 C ATOM 1403 C VAL A 98 -23.247 -3.067 1.844 1.00 0.00 C ATOM 1404 O VAL A 98 -23.949 -3.814 1.161 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.631 -2.583 0.005 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.479 -1.388 -0.400 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.171 -2.359 -0.359 1.00 0.00 C ATOM 0 H VAL A 98 -21.184 -4.871 1.403 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.394 -2.005 2.070 1.00 0.00 H new ATOM 0 HB VAL A 98 -21.990 -3.454 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.365 -1.207 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.526 -1.592 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -22.155 -0.507 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.088 -2.163 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.784 -1.505 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.593 -3.248 -0.107 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.711 -2.399 2.895 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.103 -2.507 3.317 1.00 0.00 C ATOM 1419 C HIS A 99 -26.046 -2.234 2.149 1.00 0.00 C ATOM 1420 O HIS A 99 -26.476 -1.100 1.939 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.390 -1.532 4.458 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.540 -1.762 5.670 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.664 -2.874 6.476 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.549 -1.016 6.211 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -23.787 -2.801 7.461 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.097 -1.683 7.323 1.00 0.00 N ATOM 0 H HIS A 99 -23.143 -1.777 3.470 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.273 -3.525 3.669 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.234 -0.513 4.103 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.440 -1.614 4.740 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -25.329 -3.634 6.334 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.182 -0.071 5.838 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.656 -3.531 8.246 1.00 0.00 H new TER 1435 HIS A 99