USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.758 K(o=-0.76,f=-4.9!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.049 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= -2.01 (180deg=-2.34) USER MOD Single : A 26 GLN : amide:sc= -0.221 K(o=-0.22,f=-2.2!) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -0.538 (180deg=-1.1) USER MOD Single : A 29 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.64) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.332 K(o=-0.33,f=-2.1!) USER MOD Single : B 12 THR OG1 : rot 5:sc= 0.672 USER MOD Single : B 13 HIS : no HD1:sc= -0.567 X(o=-0.57,f=-0.51) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 15 GLN : amide:sc= -0.0781 K(o=-0.078,f=-2.1!) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.936 X(o=-0.94,f=-1.4!) USER MOD Single : B 24 ASN : amide:sc= -7.71! C(o=-7.7!,f=-17!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= -0.0346 K(o=-0.035,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 4.921 18.341 2.187 1.00 0.00 N ATOM 48 CA GLN A 7 5.839 17.611 1.318 1.00 0.00 C ATOM 49 C GLN A 7 6.486 16.457 2.076 1.00 0.00 C ATOM 50 O GLN A 7 6.730 15.387 1.517 1.00 0.00 O ATOM 51 CB GLN A 7 6.937 18.541 0.797 1.00 0.00 C ATOM 52 CG GLN A 7 7.429 18.040 -0.562 1.00 0.00 C ATOM 53 CD GLN A 7 6.636 18.720 -1.675 1.00 0.00 C ATOM 54 OE1 GLN A 7 7.018 19.786 -2.154 1.00 0.00 O ATOM 55 NE2 GLN A 7 5.543 18.160 -2.115 1.00 0.00 N ATOM 0 HA GLN A 7 5.266 17.219 0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.554 19.557 0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.765 18.576 1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.492 18.253 -0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.312 16.958 -0.627 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.227 17.276 -1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.004 18.606 -2.857 1.00 0.00 H new ATOM 64 N ALA A 8 6.759 16.687 3.357 1.00 0.00 N ATOM 65 CA ALA A 8 7.379 15.659 4.190 1.00 0.00 C ATOM 66 C ALA A 8 6.384 14.541 4.481 1.00 0.00 C ATOM 67 O ALA A 8 6.680 13.360 4.290 1.00 0.00 O ATOM 68 CB ALA A 8 7.858 16.259 5.514 1.00 0.00 C ATOM 0 H ALA A 8 6.564 17.565 3.838 1.00 0.00 H new ATOM 0 HA ALA A 8 8.233 15.254 3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.317 15.479 6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.590 17.042 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.009 16.684 6.049 1.00 0.00 H new ATOM 74 N GLU A 9 5.199 14.925 4.947 1.00 0.00 N ATOM 75 CA GLU A 9 4.161 13.949 5.264 1.00 0.00 C ATOM 76 C GLU A 9 3.688 13.245 3.997 1.00 0.00 C ATOM 77 O GLU A 9 3.386 12.051 4.007 1.00 0.00 O ATOM 78 CB GLU A 9 2.967 14.634 5.931 1.00 0.00 C ATOM 79 CG GLU A 9 3.419 15.301 7.230 1.00 0.00 C ATOM 80 CD GLU A 9 3.303 14.309 8.381 1.00 0.00 C ATOM 81 OE1 GLU A 9 2.237 14.240 8.972 1.00 0.00 O ATOM 82 OE2 GLU A 9 4.278 13.631 8.653 1.00 0.00 O ATOM 0 H GLU A 9 4.935 15.896 5.112 1.00 0.00 H new ATOM 0 HA GLU A 9 4.586 13.216 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.539 15.377 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.185 13.904 6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.449 15.644 7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.807 16.180 7.431 1.00 0.00 H new ATOM 89 N GLU A 10 3.624 13.999 2.904 1.00 0.00 N ATOM 90 CA GLU A 10 3.184 13.441 1.628 1.00 0.00 C ATOM 91 C GLU A 10 4.225 12.466 1.085 1.00 0.00 C ATOM 92 O GLU A 10 3.889 11.472 0.444 1.00 0.00 O ATOM 93 CB GLU A 10 2.962 14.555 0.603 1.00 0.00 C ATOM 94 CG GLU A 10 2.299 13.976 -0.648 1.00 0.00 C ATOM 95 CD GLU A 10 1.800 15.112 -1.533 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.618 15.710 -2.213 1.00 0.00 O ATOM 97 OE2 GLU A 10 0.608 15.368 -1.521 1.00 0.00 O ATOM 0 H GLU A 10 3.868 14.989 2.874 1.00 0.00 H new ATOM 0 HA GLU A 10 2.246 12.913 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.334 15.337 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.914 15.018 0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.011 13.359 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.468 13.329 -0.366 1.00 0.00 H new ATOM 104 N GLN A 11 5.494 12.765 1.351 1.00 0.00 N ATOM 105 CA GLN A 11 6.581 11.910 0.885 1.00 0.00 C ATOM 106 C GLN A 11 6.486 10.529 1.528 1.00 0.00 C ATOM 107 O GLN A 11 6.825 9.518 0.913 1.00 0.00 O ATOM 108 CB GLN A 11 7.937 12.528 1.232 1.00 0.00 C ATOM 109 CG GLN A 11 9.048 11.752 0.524 1.00 0.00 C ATOM 110 CD GLN A 11 9.157 12.221 -0.922 1.00 0.00 C ATOM 111 OE1 GLN A 11 8.186 12.156 -1.678 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.292 12.695 -1.361 1.00 0.00 N ATOM 0 H GLN A 11 5.792 13.584 1.881 1.00 0.00 H new ATOM 0 HA GLN A 11 6.492 11.815 -0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.960 13.575 0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.094 12.505 2.310 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.997 11.904 1.039 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.836 10.683 0.555 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.097 12.750 -0.737 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.373 13.010 -2.328 1.00 0.00 H new ATOM 121 N LYS A 12 6.022 10.500 2.774 1.00 0.00 N ATOM 122 CA LYS A 12 5.886 9.238 3.495 1.00 0.00 C ATOM 123 C LYS A 12 4.722 8.426 2.935 1.00 0.00 C ATOM 124 O LYS A 12 4.776 7.199 2.868 1.00 0.00 O ATOM 125 CB LYS A 12 5.642 9.495 4.984 1.00 0.00 C ATOM 126 CG LYS A 12 6.876 10.163 5.595 1.00 0.00 C ATOM 127 CD LYS A 12 6.677 10.322 7.103 1.00 0.00 C ATOM 128 CE LYS A 12 8.024 10.610 7.769 1.00 0.00 C ATOM 129 NZ LYS A 12 7.992 10.134 9.181 1.00 0.00 N ATOM 0 H LYS A 12 5.737 11.326 3.301 1.00 0.00 H new ATOM 0 HA LYS A 12 6.813 8.679 3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.768 10.132 5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.432 8.556 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.764 9.562 5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.041 11.137 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.979 11.134 7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.240 9.415 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.825 10.111 7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.235 11.679 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.907 10.330 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.237 10.629 9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.809 9.110 9.198 1.00 0.00 H new ATOM 143 N LEU A 13 3.666 9.128 2.533 1.00 0.00 N ATOM 144 CA LEU A 13 2.488 8.465 1.978 1.00 0.00 C ATOM 145 C LEU A 13 2.847 7.736 0.686 1.00 0.00 C ATOM 146 O LEU A 13 2.366 6.633 0.424 1.00 0.00 O ATOM 147 CB LEU A 13 1.386 9.485 1.682 1.00 0.00 C ATOM 148 CG LEU A 13 0.644 9.823 2.977 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.058 11.173 2.824 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.397 8.738 3.263 1.00 0.00 C ATOM 0 H LEU A 13 3.601 10.145 2.580 1.00 0.00 H new ATOM 0 HA LEU A 13 2.129 7.747 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.818 10.388 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.690 9.082 0.946 1.00 0.00 H new ATOM 0 HG LEU A 13 1.355 9.874 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.587 11.415 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.682 11.946 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.770 11.122 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.927 8.976 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.108 8.689 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.102 7.775 3.370 1.00 0.00 H new ATOM 162 N ILE A 14 3.699 8.366 -0.117 1.00 0.00 N ATOM 163 CA ILE A 14 4.120 7.772 -1.383 1.00 0.00 C ATOM 164 C ILE A 14 4.990 6.544 -1.132 1.00 0.00 C ATOM 165 O ILE A 14 4.713 5.455 -1.636 1.00 0.00 O ATOM 166 CB ILE A 14 4.912 8.790 -2.212 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.065 10.050 -2.412 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.258 8.193 -3.579 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.955 11.189 -2.912 1.00 0.00 C ATOM 0 H ILE A 14 4.108 9.279 0.083 1.00 0.00 H new ATOM 0 HA ILE A 14 3.227 7.475 -1.932 1.00 0.00 H new ATOM 0 HB ILE A 14 5.832 9.042 -1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.268 9.855 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.587 10.333 -1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.821 8.922 -4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.860 7.295 -3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.340 7.937 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.352 12.086 -3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.736 11.389 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.412 10.905 -3.860 1.00 0.00 H new ATOM 181 N SER A 15 6.053 6.733 -0.353 1.00 0.00 N ATOM 182 CA SER A 15 6.966 5.635 -0.046 1.00 0.00 C ATOM 183 C SER A 15 6.227 4.491 0.646 1.00 0.00 C ATOM 184 O SER A 15 6.575 3.322 0.486 1.00 0.00 O ATOM 185 CB SER A 15 8.097 6.118 0.862 1.00 0.00 C ATOM 186 OG SER A 15 7.542 6.694 2.036 1.00 0.00 O ATOM 0 H SER A 15 6.301 7.626 0.073 1.00 0.00 H new ATOM 0 HA SER A 15 7.381 5.276 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.749 5.285 1.125 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.711 6.851 0.339 1.00 0.00 H new ATOM 0 HG SER A 15 8.264 7.004 2.621 1.00 0.00 H new ATOM 192 N GLU A 16 5.202 4.846 1.417 1.00 0.00 N ATOM 193 CA GLU A 16 4.417 3.840 2.130 1.00 0.00 C ATOM 194 C GLU A 16 3.657 2.962 1.142 1.00 0.00 C ATOM 195 O GLU A 16 3.617 1.739 1.278 1.00 0.00 O ATOM 196 CB GLU A 16 3.417 4.512 3.074 1.00 0.00 C ATOM 197 CG GLU A 16 2.826 3.465 4.020 1.00 0.00 C ATOM 198 CD GLU A 16 1.913 4.151 5.030 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.386 5.042 5.717 1.00 0.00 O ATOM 200 OE2 GLU A 16 0.754 3.776 5.102 1.00 0.00 O ATOM 0 H GLU A 16 4.898 5.809 1.563 1.00 0.00 H new ATOM 0 HA GLU A 16 5.104 3.224 2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.912 5.297 3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.622 4.989 2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.265 2.722 3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.625 2.935 4.538 1.00 0.00 H new ATOM 207 N GLU A 17 3.053 3.602 0.145 1.00 0.00 N ATOM 208 CA GLU A 17 2.293 2.873 -0.866 1.00 0.00 C ATOM 209 C GLU A 17 3.208 1.930 -1.641 1.00 0.00 C ATOM 210 O GLU A 17 2.811 0.828 -2.021 1.00 0.00 O ATOM 211 CB GLU A 17 1.633 3.845 -1.846 1.00 0.00 C ATOM 212 CG GLU A 17 0.425 3.170 -2.500 1.00 0.00 C ATOM 213 CD GLU A 17 -0.115 4.061 -3.612 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.249 5.252 -3.378 1.00 0.00 O ATOM 215 OE2 GLU A 17 -0.387 3.542 -4.681 1.00 0.00 O ATOM 0 H GLU A 17 3.074 4.614 0.016 1.00 0.00 H new ATOM 0 HA GLU A 17 1.522 2.295 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.319 4.748 -1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.349 4.151 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.712 2.199 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.351 2.989 -1.756 1.00 0.00 H new ATOM 222 N ASP A 18 4.439 2.377 -1.870 1.00 0.00 N ATOM 223 CA ASP A 18 5.410 1.566 -2.600 1.00 0.00 C ATOM 224 C ASP A 18 5.734 0.295 -1.821 1.00 0.00 C ATOM 225 O ASP A 18 5.975 -0.762 -2.403 1.00 0.00 O ATOM 226 CB ASP A 18 6.701 2.353 -2.831 1.00 0.00 C ATOM 227 CG ASP A 18 7.391 1.840 -4.090 1.00 0.00 C ATOM 228 OD1 ASP A 18 6.816 1.981 -5.156 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.484 1.312 -3.969 1.00 0.00 O ATOM 0 H ASP A 18 4.786 3.286 -1.565 1.00 0.00 H new ATOM 0 HA ASP A 18 4.972 1.301 -3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.479 3.415 -2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.363 2.247 -1.972 1.00 0.00 H new ATOM 234 N LEU A 19 5.736 0.414 -0.497 1.00 0.00 N ATOM 235 CA LEU A 19 6.032 -0.732 0.358 1.00 0.00 C ATOM 236 C LEU A 19 4.963 -1.807 0.195 1.00 0.00 C ATOM 237 O LEU A 19 5.269 -2.996 0.087 1.00 0.00 O ATOM 238 CB LEU A 19 6.090 -0.304 1.826 1.00 0.00 C ATOM 239 CG LEU A 19 6.935 -1.307 2.617 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.407 -0.892 2.560 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.467 -1.328 4.074 1.00 0.00 C ATOM 0 H LEU A 19 5.539 1.281 0.003 1.00 0.00 H new ATOM 0 HA LEU A 19 7.000 -1.134 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.520 0.694 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.083 -0.253 2.241 1.00 0.00 H new ATOM 0 HG LEU A 19 6.821 -2.301 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.008 -1.606 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.740 -0.875 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.522 0.101 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.067 -2.041 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.581 -0.334 4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.419 -1.623 4.115 1.00 0.00 H new ATOM 253 N LEU A 20 3.706 -1.377 0.175 1.00 0.00 N ATOM 254 CA LEU A 20 2.594 -2.312 0.022 1.00 0.00 C ATOM 255 C LEU A 20 2.535 -2.841 -1.410 1.00 0.00 C ATOM 256 O LEU A 20 2.108 -3.970 -1.649 1.00 0.00 O ATOM 257 CB LEU A 20 1.267 -1.630 0.359 1.00 0.00 C ATOM 258 CG LEU A 20 0.962 -1.817 1.847 1.00 0.00 C ATOM 259 CD1 LEU A 20 -0.145 -0.850 2.268 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.502 -3.255 2.095 1.00 0.00 C ATOM 0 H LEU A 20 3.432 -0.398 0.262 1.00 0.00 H new ATOM 0 HA LEU A 20 2.757 -3.142 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.320 -0.568 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.464 -2.054 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 20 1.861 -1.615 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.361 -0.984 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.181 0.175 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.044 -1.051 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.284 -3.390 3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.397 -3.455 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.290 -3.946 1.796 1.00 0.00 H new ATOM 272 N ARG A 21 2.970 -2.014 -2.357 1.00 0.00 N ATOM 273 CA ARG A 21 2.963 -2.409 -3.764 1.00 0.00 C ATOM 274 C ARG A 21 3.849 -3.633 -3.978 1.00 0.00 C ATOM 275 O ARG A 21 3.423 -4.630 -4.561 1.00 0.00 O ATOM 276 CB ARG A 21 3.471 -1.265 -4.644 1.00 0.00 C ATOM 277 CG ARG A 21 2.294 -0.385 -5.069 1.00 0.00 C ATOM 278 CD ARG A 21 2.797 1.022 -5.388 1.00 0.00 C ATOM 279 NE ARG A 21 3.891 0.973 -6.362 1.00 0.00 N ATOM 280 CZ ARG A 21 3.678 0.715 -7.660 1.00 0.00 C ATOM 281 NH1 ARG A 21 2.470 0.495 -8.121 1.00 0.00 N ATOM 282 NH2 ARG A 21 4.692 0.684 -8.481 1.00 0.00 N ATOM 0 H ARG A 21 3.328 -1.076 -2.180 1.00 0.00 H new ATOM 0 HA ARG A 21 1.937 -2.651 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.204 -0.671 -4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.975 -1.665 -5.523 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.803 -0.814 -5.943 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.550 -0.345 -4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.979 1.625 -5.782 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.139 1.507 -4.474 1.00 0.00 H new ATOM 0 HE ARG A 21 4.845 1.141 -6.042 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.670 0.518 -7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.330 0.301 -9.112 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.635 0.855 -8.133 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.541 0.489 -9.471 1.00 0.00 H new ATOM 296 N LYS A 22 5.085 -3.545 -3.497 1.00 0.00 N ATOM 297 CA LYS A 22 6.028 -4.651 -3.640 1.00 0.00 C ATOM 298 C LYS A 22 5.518 -5.886 -2.902 1.00 0.00 C ATOM 299 O LYS A 22 5.787 -7.020 -3.300 1.00 0.00 O ATOM 300 CB LYS A 22 7.402 -4.266 -3.086 1.00 0.00 C ATOM 301 CG LYS A 22 7.253 -3.740 -1.656 1.00 0.00 C ATOM 302 CD LYS A 22 8.628 -3.673 -0.990 1.00 0.00 C ATOM 303 CE LYS A 22 9.474 -2.595 -1.672 1.00 0.00 C ATOM 304 NZ LYS A 22 8.961 -1.248 -1.293 1.00 0.00 N ATOM 0 H LYS A 22 5.455 -2.729 -3.010 1.00 0.00 H new ATOM 0 HA LYS A 22 6.121 -4.876 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.065 -5.131 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.859 -3.505 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.794 -2.751 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.592 -4.392 -1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.519 -3.448 0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.126 -4.640 -1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.518 -2.695 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.437 -2.719 -2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.646 -0.521 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.052 -1.077 -1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.827 -1.205 -0.263 1.00 0.00 H new ATOM 318 N ARG A 23 4.777 -5.655 -1.819 1.00 0.00 N ATOM 319 CA ARG A 23 4.233 -6.758 -1.033 1.00 0.00 C ATOM 320 C ARG A 23 3.211 -7.541 -1.852 1.00 0.00 C ATOM 321 O ARG A 23 3.134 -8.767 -1.768 1.00 0.00 O ATOM 322 CB ARG A 23 3.559 -6.230 0.236 1.00 0.00 C ATOM 323 CG ARG A 23 3.169 -7.403 1.138 1.00 0.00 C ATOM 324 CD ARG A 23 4.428 -8.030 1.738 1.00 0.00 C ATOM 325 NE ARG A 23 4.119 -8.704 3.000 1.00 0.00 N ATOM 326 CZ ARG A 23 3.787 -8.026 4.109 1.00 0.00 C ATOM 327 NH1 ARG A 23 3.727 -6.715 4.112 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.521 -8.680 5.205 1.00 0.00 N ATOM 0 H ARG A 23 4.543 -4.726 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 23 5.058 -7.415 -0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.235 -5.560 0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.674 -5.649 -0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.508 -7.059 1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.617 -8.148 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.856 -8.744 1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.180 -7.259 1.906 1.00 0.00 H new ATOM 0 HE ARG A 23 4.157 -9.723 3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.935 -6.193 3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.473 -6.218 4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.566 -9.699 5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.268 -8.173 6.053 1.00 0.00 H new ATOM 342 N ARG A 24 2.429 -6.817 -2.646 1.00 0.00 N ATOM 343 CA ARG A 24 1.411 -7.451 -3.480 1.00 0.00 C ATOM 344 C ARG A 24 2.063 -8.369 -4.510 1.00 0.00 C ATOM 345 O ARG A 24 1.652 -9.516 -4.687 1.00 0.00 O ATOM 346 CB ARG A 24 0.583 -6.393 -4.212 1.00 0.00 C ATOM 347 CG ARG A 24 -0.574 -5.940 -3.317 1.00 0.00 C ATOM 348 CD ARG A 24 -1.559 -5.106 -4.138 1.00 0.00 C ATOM 349 NE ARG A 24 -2.638 -5.947 -4.660 1.00 0.00 N ATOM 350 CZ ARG A 24 -3.484 -5.516 -5.608 1.00 0.00 C ATOM 351 NH1 ARG A 24 -3.381 -4.309 -6.115 1.00 0.00 N ATOM 352 NH2 ARG A 24 -4.426 -6.311 -6.035 1.00 0.00 N ATOM 0 H ARG A 24 2.478 -5.802 -2.730 1.00 0.00 H new ATOM 0 HA ARG A 24 0.760 -8.036 -2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.211 -5.541 -4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.196 -6.801 -5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.081 -6.807 -2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.193 -5.353 -2.481 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.977 -4.313 -3.518 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.035 -4.623 -4.963 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.750 -6.891 -4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.648 -3.680 -5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.034 -4.001 -6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.514 -7.251 -5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.074 -5.993 -6.755 1.00 0.00 H new ATOM 366 N GLU A 25 3.084 -7.850 -5.185 1.00 0.00 N ATOM 367 CA GLU A 25 3.790 -8.631 -6.198 1.00 0.00 C ATOM 368 C GLU A 25 4.456 -9.847 -5.564 1.00 0.00 C ATOM 369 O GLU A 25 4.486 -10.930 -6.148 1.00 0.00 O ATOM 370 CB GLU A 25 4.859 -7.776 -6.881 1.00 0.00 C ATOM 371 CG GLU A 25 4.193 -6.591 -7.584 1.00 0.00 C ATOM 372 CD GLU A 25 3.841 -6.980 -9.016 1.00 0.00 C ATOM 373 OE1 GLU A 25 4.648 -7.649 -9.641 1.00 0.00 O ATOM 374 OE2 GLU A 25 2.771 -6.604 -9.464 1.00 0.00 O ATOM 0 H GLU A 25 3.439 -6.903 -5.052 1.00 0.00 H new ATOM 0 HA GLU A 25 3.061 -8.961 -6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.579 -7.418 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.413 -8.376 -7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.293 -6.294 -7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.863 -5.731 -7.584 1.00 0.00 H new ATOM 381 N GLN A 26 4.988 -9.656 -4.361 1.00 0.00 N ATOM 382 CA GLN A 26 5.654 -10.744 -3.651 1.00 0.00 C ATOM 383 C GLN A 26 4.649 -11.828 -3.275 1.00 0.00 C ATOM 384 O GLN A 26 4.919 -13.021 -3.416 1.00 0.00 O ATOM 385 CB GLN A 26 6.324 -10.224 -2.378 1.00 0.00 C ATOM 386 CG GLN A 26 7.220 -11.316 -1.789 1.00 0.00 C ATOM 387 CD GLN A 26 8.639 -11.153 -2.321 1.00 0.00 C ATOM 388 OE1 GLN A 26 9.069 -10.042 -2.629 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.401 -12.206 -2.448 1.00 0.00 N ATOM 0 H GLN A 26 4.972 -8.767 -3.861 1.00 0.00 H new ATOM 0 HA GLN A 26 6.411 -11.163 -4.314 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.915 -9.336 -2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.567 -9.928 -1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.219 -11.254 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.833 -12.300 -2.052 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.045 -13.127 -2.193 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.352 -12.107 -2.802 1.00 0.00 H new ATOM 398 N LEU A 27 3.485 -11.399 -2.795 1.00 0.00 N ATOM 399 CA LEU A 27 2.440 -12.341 -2.401 1.00 0.00 C ATOM 400 C LEU A 27 1.985 -13.165 -3.602 1.00 0.00 C ATOM 401 O LEU A 27 1.746 -14.367 -3.495 1.00 0.00 O ATOM 402 CB LEU A 27 1.235 -11.595 -1.823 1.00 0.00 C ATOM 403 CG LEU A 27 1.485 -11.289 -0.346 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.529 -10.190 0.118 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.244 -12.553 0.483 1.00 0.00 C ATOM 0 H LEU A 27 3.242 -10.416 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 27 2.854 -13.004 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.068 -10.669 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.334 -12.198 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 27 2.514 -10.955 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.708 -9.973 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.697 -9.289 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.500 -10.524 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.422 -12.337 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.214 -12.885 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.924 -13.339 0.154 1.00 0.00 H new ATOM 417 N LYS A 28 1.868 -12.501 -4.749 1.00 0.00 N ATOM 418 CA LYS A 28 1.442 -13.178 -5.969 1.00 0.00 C ATOM 419 C LYS A 28 2.464 -14.235 -6.375 1.00 0.00 C ATOM 420 O LYS A 28 2.113 -15.298 -6.886 1.00 0.00 O ATOM 421 CB LYS A 28 1.284 -12.175 -7.113 1.00 0.00 C ATOM 422 CG LYS A 28 0.000 -11.367 -6.910 1.00 0.00 C ATOM 423 CD LYS A 28 -0.557 -10.944 -8.270 1.00 0.00 C ATOM 424 CE LYS A 28 -1.588 -11.972 -8.741 1.00 0.00 C ATOM 425 NZ LYS A 28 -0.883 -13.188 -9.237 1.00 0.00 N ATOM 0 H LYS A 28 2.060 -11.505 -4.859 1.00 0.00 H new ATOM 0 HA LYS A 28 0.482 -13.655 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.145 -11.507 -7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.249 -12.699 -8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.737 -11.964 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.204 -10.488 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.018 -9.959 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.251 -10.864 -8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.257 -12.235 -7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.206 -11.548 -9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.520 -13.731 -9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.039 -12.905 -9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.597 -13.777 -8.429 1.00 0.00 H new ATOM 439 N HIS A 29 3.737 -13.930 -6.137 1.00 0.00 N ATOM 440 CA HIS A 29 4.810 -14.860 -6.479 1.00 0.00 C ATOM 441 C HIS A 29 4.677 -16.145 -5.668 1.00 0.00 C ATOM 442 O HIS A 29 4.972 -17.237 -6.153 1.00 0.00 O ATOM 443 CB HIS A 29 6.175 -14.231 -6.195 1.00 0.00 C ATOM 444 CG HIS A 29 6.387 -13.059 -7.114 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.945 -13.058 -8.427 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.993 -11.842 -6.921 1.00 0.00 C ATOM 447 CE1 HIS A 29 6.288 -11.876 -8.970 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.929 -11.096 -8.095 1.00 0.00 N ATOM 0 H HIS A 29 4.049 -13.056 -5.713 1.00 0.00 H new ATOM 0 HA HIS A 29 4.731 -15.090 -7.542 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.229 -13.907 -5.156 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.965 -14.968 -6.340 1.00 0.00 H new ATOM 0 HD2 HIS A 29 7.450 -11.513 -5.999 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.072 -11.592 -9.989 1.00 0.00 H new ATOM 0 HE2 HIS A 29 7.293 -10.156 -8.253 1.00 0.00 H new ATOM 647 N LYS B 9 -5.323 15.349 -2.638 1.00 0.00 N ATOM 648 CA LYS B 9 -4.290 14.418 -3.086 1.00 0.00 C ATOM 649 C LYS B 9 -3.863 13.503 -1.942 1.00 0.00 C ATOM 650 O LYS B 9 -3.501 12.345 -2.157 1.00 0.00 O ATOM 651 CB LYS B 9 -3.066 15.181 -3.600 1.00 0.00 C ATOM 652 CG LYS B 9 -2.348 14.343 -4.663 1.00 0.00 C ATOM 653 CD LYS B 9 -1.826 15.258 -5.774 1.00 0.00 C ATOM 654 CE LYS B 9 -0.359 15.605 -5.507 1.00 0.00 C ATOM 655 NZ LYS B 9 0.223 16.259 -6.712 1.00 0.00 N ATOM 0 HA LYS B 9 -4.707 13.817 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -3.372 16.138 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -2.388 15.399 -2.775 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -1.521 13.795 -4.211 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -3.031 13.603 -5.079 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -1.923 14.765 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -2.423 16.169 -5.819 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.282 16.269 -4.646 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.201 14.702 -5.264 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.220 16.495 -6.532 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 0.162 15.610 -7.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.306 17.129 -6.924 1.00 0.00 H new ATOM 669 N ASN B 10 -3.913 14.030 -0.723 1.00 0.00 N ATOM 670 CA ASN B 10 -3.530 13.249 0.450 1.00 0.00 C ATOM 671 C ASN B 10 -4.576 12.176 0.737 1.00 0.00 C ATOM 672 O ASN B 10 -4.257 11.091 1.224 1.00 0.00 O ATOM 673 CB ASN B 10 -3.392 14.151 1.678 1.00 0.00 C ATOM 674 CG ASN B 10 -1.961 14.670 1.767 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.018 13.984 1.373 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.739 15.855 2.270 1.00 0.00 N ATOM 0 H ASN B 10 -4.211 14.984 -0.521 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.570 12.778 0.240 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.090 14.986 1.610 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.646 13.596 2.581 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.785 16.211 2.336 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.519 16.425 2.597 1.00 0.00 H new ATOM 683 N ASP B 11 -5.832 12.491 0.429 1.00 0.00 N ATOM 684 CA ASP B 11 -6.921 11.546 0.656 1.00 0.00 C ATOM 685 C ASP B 11 -6.733 10.302 -0.207 1.00 0.00 C ATOM 686 O ASP B 11 -6.915 9.176 0.253 1.00 0.00 O ATOM 687 CB ASP B 11 -8.269 12.187 0.318 1.00 0.00 C ATOM 688 CG ASP B 11 -9.396 11.320 0.866 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.544 11.268 2.075 1.00 0.00 O ATOM 690 OD2 ASP B 11 -10.095 10.718 0.067 1.00 0.00 O ATOM 0 H ASP B 11 -6.118 13.383 0.026 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.908 11.266 1.709 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -8.325 13.188 0.746 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.372 12.296 -0.762 1.00 0.00 H new ATOM 695 N THR B 12 -6.362 10.522 -1.466 1.00 0.00 N ATOM 696 CA THR B 12 -6.147 9.414 -2.391 1.00 0.00 C ATOM 697 C THR B 12 -4.981 8.549 -1.921 1.00 0.00 C ATOM 698 O THR B 12 -4.971 7.333 -2.118 1.00 0.00 O ATOM 699 CB THR B 12 -5.844 9.936 -3.796 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.902 10.996 -3.713 1.00 0.00 O ATOM 701 CG2 THR B 12 -7.134 10.447 -4.443 1.00 0.00 C ATOM 0 H THR B 12 -6.206 11.447 -1.865 1.00 0.00 H new ATOM 0 HA THR B 12 -7.059 8.817 -2.417 1.00 0.00 H new ATOM 0 HB THR B 12 -5.432 9.129 -4.402 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.602 11.095 -2.785 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.916 10.819 -5.444 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.856 9.633 -4.507 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.549 11.254 -3.839 1.00 0.00 H new ATOM 709 N HIS B 13 -3.999 9.191 -1.295 1.00 0.00 N ATOM 710 CA HIS B 13 -2.829 8.473 -0.796 1.00 0.00 C ATOM 711 C HIS B 13 -3.241 7.459 0.264 1.00 0.00 C ATOM 712 O HIS B 13 -2.744 6.333 0.295 1.00 0.00 O ATOM 713 CB HIS B 13 -1.822 9.451 -0.183 1.00 0.00 C ATOM 714 CG HIS B 13 -0.868 9.923 -1.246 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.182 9.041 -2.067 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.473 11.179 -1.631 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.583 9.774 -2.898 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.443 11.084 -2.673 1.00 0.00 N ATOM 0 H HIS B 13 -3.988 10.196 -1.122 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.367 7.955 -1.637 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.345 10.301 0.254 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.273 8.966 0.624 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.821 12.102 -1.191 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.230 9.355 -3.654 1.00 0.00 H new ATOM 0 HE2 HIS B 13 0.908 11.850 -3.161 1.00 0.00 H new ATOM 726 N GLN B 14 -4.157 7.872 1.133 1.00 0.00 N ATOM 727 CA GLN B 14 -4.636 6.996 2.197 1.00 0.00 C ATOM 728 C GLN B 14 -5.536 5.903 1.626 1.00 0.00 C ATOM 729 O GLN B 14 -5.481 4.749 2.049 1.00 0.00 O ATOM 730 CB GLN B 14 -5.424 7.796 3.236 1.00 0.00 C ATOM 731 CG GLN B 14 -5.280 7.135 4.608 1.00 0.00 C ATOM 732 CD GLN B 14 -5.416 8.191 5.700 1.00 0.00 C ATOM 733 OE1 GLN B 14 -6.201 9.132 5.567 1.00 0.00 O ATOM 734 NE2 GLN B 14 -4.692 8.092 6.780 1.00 0.00 N ATOM 0 H GLN B 14 -4.580 8.800 1.123 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.767 6.540 2.672 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.057 8.822 3.275 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.475 7.844 2.952 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -6.042 6.366 4.734 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.312 6.640 4.685 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -4.043 7.313 6.889 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -4.775 8.794 7.516 1.00 0.00 H new ATOM 743 N GLN B 15 -6.366 6.283 0.659 1.00 0.00 N ATOM 744 CA GLN B 15 -7.277 5.329 0.032 1.00 0.00 C ATOM 745 C GLN B 15 -6.493 4.256 -0.715 1.00 0.00 C ATOM 746 O GLN B 15 -6.708 3.061 -0.519 1.00 0.00 O ATOM 747 CB GLN B 15 -8.208 6.042 -0.950 1.00 0.00 C ATOM 748 CG GLN B 15 -9.218 6.887 -0.174 1.00 0.00 C ATOM 749 CD GLN B 15 -10.525 6.966 -0.955 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.877 6.037 -1.682 1.00 0.00 O ATOM 751 NE2 GLN B 15 -11.273 8.029 -0.848 1.00 0.00 N ATOM 0 H GLN B 15 -6.427 7.234 0.295 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.870 4.864 0.819 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.629 6.675 -1.622 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.729 5.312 -1.569 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.395 6.449 0.808 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -8.820 7.888 -0.009 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.982 8.799 -0.246 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -12.149 8.090 -1.367 1.00 0.00 H new ATOM 760 N ASP B 16 -5.577 4.697 -1.575 1.00 0.00 N ATOM 761 CA ASP B 16 -4.761 3.764 -2.349 1.00 0.00 C ATOM 762 C ASP B 16 -3.936 2.881 -1.420 1.00 0.00 C ATOM 763 O ASP B 16 -3.803 1.677 -1.638 1.00 0.00 O ATOM 764 CB ASP B 16 -3.816 4.526 -3.282 1.00 0.00 C ATOM 765 CG ASP B 16 -3.423 3.630 -4.451 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.268 2.439 -4.235 1.00 0.00 O ATOM 767 OD2 ASP B 16 -3.280 4.149 -5.547 1.00 0.00 O ATOM 0 H ASP B 16 -5.382 5.682 -1.752 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.432 3.142 -2.941 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -4.302 5.430 -3.650 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.926 4.842 -2.737 1.00 0.00 H new ATOM 772 N ILE B 17 -3.388 3.494 -0.376 1.00 0.00 N ATOM 773 CA ILE B 17 -2.577 2.760 0.593 1.00 0.00 C ATOM 774 C ILE B 17 -3.424 1.686 1.278 1.00 0.00 C ATOM 775 O ILE B 17 -3.266 0.492 1.026 1.00 0.00 O ATOM 776 CB ILE B 17 -2.003 3.737 1.649 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.772 4.433 1.067 1.00 0.00 C ATOM 778 CG2 ILE B 17 -1.599 2.999 2.943 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.318 5.547 2.013 1.00 0.00 C ATOM 0 H ILE B 17 -3.488 4.490 -0.179 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.751 2.278 0.071 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.777 4.463 1.898 1.00 0.00 H new ATOM 0 HG12 ILE B 17 0.033 3.712 0.925 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.005 4.847 0.086 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.201 3.716 3.661 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.473 2.506 3.369 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -0.838 2.253 2.714 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.559 6.042 1.597 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.122 6.273 2.132 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.067 5.120 2.984 1.00 0.00 H new ATOM 791 N ASP B 18 -4.295 2.138 2.178 1.00 0.00 N ATOM 792 CA ASP B 18 -5.148 1.234 2.947 1.00 0.00 C ATOM 793 C ASP B 18 -5.787 0.161 2.055 1.00 0.00 C ATOM 794 O ASP B 18 -6.002 -0.973 2.481 1.00 0.00 O ATOM 795 CB ASP B 18 -6.254 2.024 3.653 1.00 0.00 C ATOM 796 CG ASP B 18 -5.833 2.330 5.089 1.00 0.00 C ATOM 797 OD1 ASP B 18 -4.846 3.024 5.259 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.503 1.861 5.994 1.00 0.00 O ATOM 0 H ASP B 18 -4.429 3.126 2.393 1.00 0.00 H new ATOM 0 HA ASP B 18 -4.516 0.738 3.684 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.451 2.952 3.116 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.182 1.451 3.650 1.00 0.00 H new ATOM 803 N ASP B 19 -6.076 0.535 0.811 1.00 0.00 N ATOM 804 CA ASP B 19 -6.680 -0.403 -0.132 1.00 0.00 C ATOM 805 C ASP B 19 -5.672 -1.484 -0.507 1.00 0.00 C ATOM 806 O ASP B 19 -6.014 -2.661 -0.624 1.00 0.00 O ATOM 807 CB ASP B 19 -7.129 0.324 -1.401 1.00 0.00 C ATOM 808 CG ASP B 19 -7.931 -0.630 -2.279 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.830 -1.270 -1.757 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.636 -0.708 -3.460 1.00 0.00 O ATOM 0 H ASP B 19 -5.905 1.468 0.436 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.548 -0.857 0.346 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.735 1.191 -1.140 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.261 0.694 -1.947 1.00 0.00 H new ATOM 815 N LEU B 20 -4.421 -1.068 -0.685 1.00 0.00 N ATOM 816 CA LEU B 20 -3.357 -2.004 -1.040 1.00 0.00 C ATOM 817 C LEU B 20 -3.106 -2.977 0.108 1.00 0.00 C ATOM 818 O LEU B 20 -2.763 -4.139 -0.107 1.00 0.00 O ATOM 819 CB LEU B 20 -2.061 -1.248 -1.342 1.00 0.00 C ATOM 820 CG LEU B 20 -2.197 -0.512 -2.675 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.225 0.668 -2.709 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.871 -1.472 -3.823 1.00 0.00 C ATOM 0 H LEU B 20 -4.120 -0.098 -0.590 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.671 -2.556 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.847 -0.538 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.223 -1.944 -1.383 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.218 -0.146 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.322 1.192 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.455 1.352 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.204 0.302 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.968 -0.948 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.850 -1.838 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.563 -2.314 -3.801 1.00 0.00 H new ATOM 834 N LYS B 21 -3.281 -2.484 1.332 1.00 0.00 N ATOM 835 CA LYS B 21 -3.071 -3.311 2.516 1.00 0.00 C ATOM 836 C LYS B 21 -4.215 -4.311 2.677 1.00 0.00 C ATOM 837 O LYS B 21 -4.001 -5.466 3.046 1.00 0.00 O ATOM 838 CB LYS B 21 -2.989 -2.433 3.771 1.00 0.00 C ATOM 839 CG LYS B 21 -1.933 -2.991 4.735 1.00 0.00 C ATOM 840 CD LYS B 21 -2.617 -3.622 5.951 1.00 0.00 C ATOM 841 CE LYS B 21 -1.742 -3.419 7.190 1.00 0.00 C ATOM 842 NZ LYS B 21 -2.465 -3.915 8.395 1.00 0.00 N ATOM 0 H LYS B 21 -3.565 -1.524 1.528 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.133 -3.852 2.391 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -2.735 -1.410 3.493 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.961 -2.397 4.264 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.320 -3.734 4.226 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.264 -2.193 5.057 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -3.597 -3.170 6.106 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.781 -4.686 5.778 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.799 -3.952 7.074 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -1.499 -2.363 7.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -1.871 -3.777 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -3.354 -3.387 8.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -2.675 -4.927 8.281 1.00 0.00 H new ATOM 856 N ARG B 22 -5.430 -3.851 2.396 1.00 0.00 N ATOM 857 CA ARG B 22 -6.605 -4.708 2.513 1.00 0.00 C ATOM 858 C ARG B 22 -6.503 -5.887 1.550 1.00 0.00 C ATOM 859 O ARG B 22 -6.867 -7.014 1.886 1.00 0.00 O ATOM 860 CB ARG B 22 -7.877 -3.917 2.199 1.00 0.00 C ATOM 861 CG ARG B 22 -8.320 -3.148 3.446 1.00 0.00 C ATOM 862 CD ARG B 22 -9.339 -3.981 4.226 1.00 0.00 C ATOM 863 NE ARG B 22 -10.018 -3.159 5.230 1.00 0.00 N ATOM 864 CZ ARG B 22 -10.916 -2.222 4.895 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.233 -2.000 3.641 1.00 0.00 N ATOM 866 NH2 ARG B 22 -11.491 -1.520 5.834 1.00 0.00 N ATOM 0 H ARG B 22 -5.626 -2.899 2.088 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.651 -5.078 3.537 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.694 -3.224 1.377 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.668 -4.593 1.875 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -7.458 -2.927 4.075 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -8.759 -2.192 3.160 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.072 -4.405 3.539 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -8.837 -4.817 4.712 1.00 0.00 H new ATOM 0 HE ARG B 22 -9.801 -3.304 6.216 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.793 -2.545 2.900 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.919 -1.282 3.408 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.255 -1.687 6.812 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.176 -0.805 5.589 1.00 0.00 H new ATOM 880 N GLN B 23 -6.005 -5.615 0.347 1.00 0.00 N ATOM 881 CA GLN B 23 -5.860 -6.662 -0.661 1.00 0.00 C ATOM 882 C GLN B 23 -4.834 -7.696 -0.206 1.00 0.00 C ATOM 883 O GLN B 23 -5.072 -8.903 -0.285 1.00 0.00 O ATOM 884 CB GLN B 23 -5.410 -6.065 -1.996 1.00 0.00 C ATOM 885 CG GLN B 23 -6.637 -5.689 -2.829 1.00 0.00 C ATOM 886 CD GLN B 23 -7.400 -6.954 -3.215 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.315 -7.374 -2.507 1.00 0.00 O ATOM 888 NE2 GLN B 23 -7.074 -7.590 -4.306 1.00 0.00 N ATOM 0 H GLN B 23 -5.698 -4.689 0.048 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.830 -7.142 -0.790 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.792 -5.184 -1.822 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.796 -6.783 -2.539 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.284 -5.021 -2.261 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.330 -5.150 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.316 -7.241 -4.892 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.577 -8.436 -4.573 1.00 0.00 H new ATOM 897 N ASN B 24 -3.691 -7.212 0.269 1.00 0.00 N ATOM 898 CA ASN B 24 -2.633 -8.104 0.735 1.00 0.00 C ATOM 899 C ASN B 24 -3.110 -8.911 1.937 1.00 0.00 C ATOM 900 O ASN B 24 -2.722 -10.065 2.122 1.00 0.00 O ATOM 901 CB ASN B 24 -1.393 -7.301 1.134 1.00 0.00 C ATOM 902 CG ASN B 24 -0.499 -7.108 -0.085 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.527 -7.911 -1.018 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.302 -6.078 -0.136 1.00 0.00 N ATOM 0 H ASN B 24 -3.474 -6.218 0.342 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.379 -8.781 -0.081 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.688 -6.333 1.539 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.847 -7.822 1.920 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.903 -5.939 -0.948 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.326 -5.412 0.636 1.00 0.00 H new ATOM 911 N ALA B 25 -3.959 -8.292 2.752 1.00 0.00 N ATOM 912 CA ALA B 25 -4.487 -8.959 3.937 1.00 0.00 C ATOM 913 C ALA B 25 -5.319 -10.173 3.536 1.00 0.00 C ATOM 914 O ALA B 25 -5.087 -11.286 4.007 1.00 0.00 O ATOM 915 CB ALA B 25 -5.363 -8.001 4.746 1.00 0.00 C ATOM 0 H ALA B 25 -4.294 -7.338 2.615 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.643 -9.280 4.547 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.748 -8.516 5.626 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.770 -7.142 5.059 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.196 -7.662 4.130 1.00 0.00 H new ATOM 921 N LEU B 26 -6.293 -9.944 2.660 1.00 0.00 N ATOM 922 CA LEU B 26 -7.159 -11.024 2.197 1.00 0.00 C ATOM 923 C LEU B 26 -6.359 -12.024 1.364 1.00 0.00 C ATOM 924 O LEU B 26 -6.637 -13.223 1.372 1.00 0.00 O ATOM 925 CB LEU B 26 -8.313 -10.463 1.350 1.00 0.00 C ATOM 926 CG LEU B 26 -9.645 -11.118 1.753 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.562 -12.636 1.553 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.955 -10.804 3.225 1.00 0.00 C ATOM 0 H LEU B 26 -6.501 -9.029 2.259 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.570 -11.529 3.071 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.377 -9.383 1.482 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.117 -10.644 0.293 1.00 0.00 H new ATOM 0 HG LEU B 26 -10.442 -10.719 1.126 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.509 -13.093 1.840 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.357 -12.854 0.505 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -8.761 -13.041 2.171 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.900 -11.270 3.505 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -9.156 -11.194 3.856 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -10.029 -9.725 3.359 1.00 0.00 H new ATOM 940 N LEU B 27 -5.362 -11.514 0.645 1.00 0.00 N ATOM 941 CA LEU B 27 -4.526 -12.368 -0.193 1.00 0.00 C ATOM 942 C LEU B 27 -3.788 -13.394 0.660 1.00 0.00 C ATOM 943 O LEU B 27 -3.839 -14.594 0.398 1.00 0.00 O ATOM 944 CB LEU B 27 -3.503 -11.529 -0.960 1.00 0.00 C ATOM 945 CG LEU B 27 -4.185 -10.858 -2.153 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.348 -9.663 -2.615 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.308 -11.864 -3.299 1.00 0.00 C ATOM 0 H LEU B 27 -5.115 -10.524 0.626 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.175 -12.884 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.070 -10.774 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.684 -12.160 -1.304 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.177 -10.515 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.834 -9.185 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.256 -8.946 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.356 -10.006 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.794 -11.388 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.315 -12.205 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.903 -12.717 -2.972 1.00 0.00 H new ATOM 959 N GLU B 28 -3.100 -12.905 1.692 1.00 0.00 N ATOM 960 CA GLU B 28 -2.349 -13.785 2.588 1.00 0.00 C ATOM 961 C GLU B 28 -3.271 -14.827 3.219 1.00 0.00 C ATOM 962 O GLU B 28 -2.932 -16.005 3.308 1.00 0.00 O ATOM 963 CB GLU B 28 -1.684 -12.963 3.699 1.00 0.00 C ATOM 964 CG GLU B 28 -0.793 -13.870 4.553 1.00 0.00 C ATOM 965 CD GLU B 28 0.459 -13.110 4.977 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.053 -12.467 4.127 1.00 0.00 O ATOM 967 OE2 GLU B 28 0.805 -13.180 6.144 1.00 0.00 O ATOM 0 H GLU B 28 -3.047 -11.914 1.927 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.585 -14.294 2.001 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.090 -12.160 3.264 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.445 -12.494 4.323 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.340 -14.209 5.433 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.516 -14.760 3.988 1.00 0.00 H new ATOM 974 N GLN B 29 -4.445 -14.373 3.658 1.00 0.00 N ATOM 975 CA GLN B 29 -5.420 -15.269 4.282 1.00 0.00 C ATOM 976 C GLN B 29 -5.756 -16.437 3.355 1.00 0.00 C ATOM 977 O GLN B 29 -6.037 -17.546 3.807 1.00 0.00 O ATOM 978 CB GLN B 29 -6.708 -14.511 4.612 1.00 0.00 C ATOM 979 CG GLN B 29 -7.425 -15.202 5.773 1.00 0.00 C ATOM 980 CD GLN B 29 -8.454 -14.250 6.374 1.00 0.00 C ATOM 981 OE1 GLN B 29 -9.471 -13.948 5.749 1.00 0.00 O ATOM 982 NE2 GLN B 29 -8.249 -13.753 7.563 1.00 0.00 N ATOM 0 H GLN B 29 -4.743 -13.399 3.594 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.976 -15.655 5.200 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.477 -13.479 4.876 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.358 -14.479 3.737 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -7.915 -16.110 5.423 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -6.704 -15.502 6.533 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -7.407 -14.002 8.082 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -8.931 -13.115 7.974 1.00 0.00 H new ATOM 991 N GLN B 30 -5.715 -16.172 2.052 1.00 0.00 N ATOM 992 CA GLN B 30 -6.006 -17.206 1.064 1.00 0.00 C ATOM 993 C GLN B 30 -4.747 -18.009 0.759 1.00 0.00 C ATOM 994 O GLN B 30 -4.803 -19.211 0.499 1.00 0.00 O ATOM 995 CB GLN B 30 -6.529 -16.580 -0.232 1.00 0.00 C ATOM 996 CG GLN B 30 -7.015 -17.684 -1.174 1.00 0.00 C ATOM 997 CD GLN B 30 -7.327 -17.084 -2.540 1.00 0.00 C ATOM 998 OE1 GLN B 30 -6.716 -16.097 -2.947 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.255 -17.628 -3.280 1.00 0.00 N ATOM 0 H GLN B 30 -5.485 -15.259 1.659 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.770 -17.865 1.477 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -7.344 -15.891 -0.012 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.741 -15.999 -0.711 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.253 -18.457 -1.270 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.904 -18.162 -0.763 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.762 -18.446 -2.943 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -8.473 -17.235 -4.195 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.605 -17.326 0.797 1.00 0.00 N ATOM 1009 CA VAL B 31 -2.325 -17.977 0.528 1.00 0.00 C ATOM 1010 C VAL B 31 -1.982 -18.949 1.654 1.00 0.00 C ATOM 1011 O VAL B 31 -1.368 -19.993 1.427 1.00 0.00 O ATOM 1012 CB VAL B 31 -1.213 -16.927 0.407 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.102 -17.607 0.012 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.595 -15.892 -0.661 1.00 0.00 C ATOM 0 H VAL B 31 -3.539 -16.331 1.010 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.407 -18.526 -0.410 1.00 0.00 H new ATOM 0 HB VAL B 31 -1.086 -16.428 1.368 1.00 0.00 H new ATOM 0 HG11 VAL B 31 0.888 -16.857 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.377 -18.337 0.773 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -0.023 -18.112 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.804 -15.147 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.727 -16.391 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.526 -15.402 -0.376 1.00 0.00 H new ATOM 1024 N ARG B 32 -2.390 -18.596 2.870 1.00 0.00 N ATOM 1025 CA ARG B 32 -2.123 -19.443 4.029 1.00 0.00 C ATOM 1026 C ARG B 32 -2.806 -20.797 3.866 1.00 0.00 C ATOM 1027 O ARG B 32 -2.237 -21.841 4.187 1.00 0.00 O ATOM 1028 CB ARG B 32 -2.635 -18.778 5.308 1.00 0.00 C ATOM 1029 CG ARG B 32 -1.520 -17.928 5.922 1.00 0.00 C ATOM 1030 CD ARG B 32 -1.778 -17.753 7.420 1.00 0.00 C ATOM 1031 NE ARG B 32 -0.884 -16.738 7.984 1.00 0.00 N ATOM 1032 CZ ARG B 32 -0.825 -16.494 9.301 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -1.570 -17.160 10.151 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -0.008 -15.577 9.746 1.00 0.00 N ATOM 0 H ARG B 32 -2.902 -17.738 3.078 1.00 0.00 H new ATOM 0 HA ARG B 32 -1.045 -19.585 4.101 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -3.501 -18.155 5.085 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -2.962 -19.536 6.019 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -0.554 -18.406 5.762 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -1.479 -16.955 5.433 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -2.816 -17.462 7.584 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -1.628 -18.703 7.933 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.288 -16.200 7.355 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -2.210 -17.879 9.814 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -1.509 -16.958 11.149 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.577 -15.055 9.093 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.045 -15.383 10.746 1.00 0.00 H new ATOM 1048 N ALA B 33 -4.037 -20.769 3.360 1.00 0.00 N ATOM 1049 CA ALA B 33 -4.795 -22.000 3.155 1.00 0.00 C ATOM 1050 C ALA B 33 -4.147 -22.848 2.065 1.00 0.00 C ATOM 1051 O ALA B 33 -4.154 -24.076 2.128 1.00 0.00 O ATOM 1052 CB ALA B 33 -6.234 -21.680 2.747 1.00 0.00 C ATOM 0 H ALA B 33 -4.526 -19.917 3.087 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.798 -22.554 4.094 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -6.785 -22.609 2.598 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.713 -21.095 3.532 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -6.230 -21.108 1.819 1.00 0.00 H new ATOM 1058 N LEU B 34 -3.583 -22.175 1.065 1.00 0.00 N ATOM 1059 CA LEU B 34 -2.929 -22.874 -0.038 1.00 0.00 C ATOM 1060 C LEU B 34 -1.436 -23.017 0.234 1.00 0.00 C ATOM 1061 O LEU B 34 -0.623 -23.022 -0.690 1.00 0.00 O ATOM 1062 CB LEU B 34 -3.125 -22.105 -1.353 1.00 0.00 C ATOM 1063 CG LEU B 34 -4.485 -22.452 -1.985 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -4.543 -23.946 -2.313 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -5.617 -22.098 -1.014 1.00 0.00 C ATOM 0 H LEU B 34 -3.565 -21.158 0.995 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.380 -23.863 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.068 -21.033 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.322 -22.351 -2.048 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.604 -21.877 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.509 -24.183 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.747 -24.196 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.415 -24.525 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.576 -22.346 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.495 -22.664 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.586 -21.031 -0.792 1.00 0.00 H new