USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 454 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 40 GLN : amide:sc= -0.0432 X(o=-0.075,f=-0.35) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.0318 X(o=-0.075,f=-0.35!) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.874 K(o=-22,f=-22!) USER MOD Set 2.2: A 26 GLN : amide:sc= -13.8! C(o=-22!,f=-13!) USER MOD Set 2.3: A 55 GLN : amide:sc= -7.02! C(o=-22!,f=-18!) USER MOD Set 3.1: A 21 ASN : amide:sc= -3 K(o=-6.2,f=-2.8) USER MOD Set 3.2: A 52 ASN : amide:sc= -3.22 K(o=-6.2,f=-11!) USER MOD Set 4.1: A 4 LYS NZ :NH3+ -157:sc= 0.928 (180deg=-0.421) USER MOD Set 4.2: A 6 ASN : amide:sc= -2.14 K(o=-1.2,f=-4.4) USER MOD Set 5.1: A 3 ASN : amide:sc= 0 K(o=-1.9,f=-3.5) USER MOD Set 5.2: A 7 LYS NZ :NH3+ -118:sc= -1.85 (180deg=-4.6!) USER MOD Single : A 1 VAL N :NH3+ -159:sc= -0.0793 (180deg=-0.618) USER MOD Single : A 13 THR OG1 : rot 104:sc= 0.621 USER MOD Single : A 18 ASN : amide:sc= -2.43 X(o=-2.4,f=-2) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0875) USER MOD Single : A 33 SER OG : rot 70:sc= 1.13 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 179:sc= 0.55 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= -0.144 (180deg=-0.702) USER MOD Single : A 58 LYS NZ :NH3+ -116:sc= -0.546 (180deg=-2.22!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 18.616 -20.338 3.750 1.00 0.00 N ATOM 2 CA VAL A 1 18.582 -18.869 3.499 1.00 0.00 C ATOM 3 C VAL A 1 17.191 -18.489 2.993 1.00 0.00 C ATOM 4 O VAL A 1 16.795 -18.883 1.894 1.00 0.00 O ATOM 5 CB VAL A 1 19.654 -18.498 2.458 1.00 0.00 C ATOM 6 CG1 VAL A 1 19.681 -16.976 2.254 1.00 0.00 C ATOM 7 CG2 VAL A 1 21.033 -18.969 2.944 1.00 0.00 C ATOM 0 H1 VAL A 1 19.391 -20.560 4.407 1.00 0.00 H new ATOM 0 H2 VAL A 1 17.712 -20.640 4.166 1.00 0.00 H new ATOM 0 H3 VAL A 1 18.769 -20.840 2.852 1.00 0.00 H new ATOM 0 HA VAL A 1 18.792 -18.325 4.420 1.00 0.00 H new ATOM 0 HB VAL A 1 19.413 -18.985 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 1 20.442 -16.721 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 1 18.706 -16.639 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 1 19.914 -16.486 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 1 21.789 -18.705 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 1 21.269 -18.487 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 1 21.021 -20.050 3.080 1.00 0.00 H new ATOM 19 N ASP A 2 16.458 -17.730 3.810 1.00 0.00 N ATOM 20 CA ASP A 2 15.104 -17.302 3.454 1.00 0.00 C ATOM 21 C ASP A 2 14.841 -15.880 3.948 1.00 0.00 C ATOM 22 O ASP A 2 15.509 -15.399 4.866 1.00 0.00 O ATOM 23 CB ASP A 2 14.079 -18.262 4.070 1.00 0.00 C ATOM 24 CG ASP A 2 14.391 -19.699 3.648 1.00 0.00 C ATOM 25 OD1 ASP A 2 14.037 -20.061 2.539 1.00 0.00 O ATOM 26 OD2 ASP A 2 14.987 -20.413 4.440 1.00 0.00 O ATOM 0 H ASP A 2 16.778 -17.400 4.720 1.00 0.00 H new ATOM 0 HA ASP A 2 15.009 -17.316 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.099 -18.181 5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.074 -17.990 3.748 1.00 0.00 H new ATOM 31 N ASN A 3 13.863 -15.219 3.325 1.00 0.00 N ATOM 32 CA ASN A 3 13.501 -13.848 3.691 1.00 0.00 C ATOM 33 C ASN A 3 12.074 -13.788 4.232 1.00 0.00 C ATOM 34 O ASN A 3 11.173 -14.449 3.713 1.00 0.00 O ATOM 35 CB ASN A 3 13.626 -12.934 2.467 1.00 0.00 C ATOM 36 CG ASN A 3 15.097 -12.730 2.119 1.00 0.00 C ATOM 37 OD1 ASN A 3 15.809 -12.014 2.823 1.00 0.00 O ATOM 38 ND2 ASN A 3 15.601 -13.326 1.073 1.00 0.00 N ATOM 0 H ASN A 3 13.307 -15.611 2.565 1.00 0.00 H new ATOM 0 HA ASN A 3 14.182 -13.510 4.472 1.00 0.00 H new ATOM 0 HB2 ASN A 3 13.100 -13.373 1.619 1.00 0.00 H new ATOM 0 HB3 ASN A 3 13.155 -11.972 2.671 1.00 0.00 H new ATOM 0 HD21 ASN A 3 16.585 -13.199 0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 3 15.010 -13.919 0.490 1.00 0.00 H new ATOM 45 N LYS A 4 11.884 -12.980 5.275 1.00 0.00 N ATOM 46 CA LYS A 4 10.571 -12.814 5.895 1.00 0.00 C ATOM 47 C LYS A 4 9.646 -12.028 4.961 1.00 0.00 C ATOM 48 O LYS A 4 10.069 -11.053 4.335 1.00 0.00 O ATOM 49 CB LYS A 4 10.729 -12.066 7.229 1.00 0.00 C ATOM 50 CG LYS A 4 9.427 -12.124 8.044 1.00 0.00 C ATOM 51 CD LYS A 4 9.297 -13.483 8.745 1.00 0.00 C ATOM 52 CE LYS A 4 8.058 -13.483 9.647 1.00 0.00 C ATOM 53 NZ LYS A 4 8.266 -12.539 10.783 1.00 0.00 N ATOM 0 H LYS A 4 12.625 -12.429 5.709 1.00 0.00 H new ATOM 0 HA LYS A 4 10.132 -13.794 6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.543 -12.507 7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.999 -11.027 7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.417 -11.323 8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.572 -11.962 7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.219 -14.279 8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.190 -13.684 9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.178 -13.190 9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.871 -14.488 10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.647 -12.806 11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.259 -12.580 11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.038 -11.572 10.477 1.00 0.00 H new ATOM 67 N PHE A 5 8.385 -12.462 4.871 1.00 0.00 N ATOM 68 CA PHE A 5 7.405 -11.796 4.006 1.00 0.00 C ATOM 69 C PHE A 5 7.088 -10.389 4.516 1.00 0.00 C ATOM 70 O PHE A 5 6.499 -9.578 3.801 1.00 0.00 O ATOM 71 CB PHE A 5 6.114 -12.628 3.931 1.00 0.00 C ATOM 72 CG PHE A 5 5.408 -12.630 5.275 1.00 0.00 C ATOM 73 CD1 PHE A 5 5.736 -13.590 6.242 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.425 -11.671 5.550 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.080 -13.590 7.478 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.771 -11.671 6.785 1.00 0.00 C ATOM 77 CZ PHE A 5 4.097 -12.630 7.750 1.00 0.00 C ATOM 0 H PHE A 5 8.020 -13.266 5.382 1.00 0.00 H new ATOM 0 HA PHE A 5 7.837 -11.710 3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.454 -12.219 3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.349 -13.650 3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.495 -14.330 6.033 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.172 -10.930 4.806 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.332 -14.331 8.223 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.014 -10.930 6.995 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.591 -12.630 8.704 1.00 0.00 H new ATOM 87 N ASN A 6 7.491 -10.119 5.756 1.00 0.00 N ATOM 88 CA ASN A 6 7.267 -8.816 6.383 1.00 0.00 C ATOM 89 C ASN A 6 7.862 -7.697 5.530 1.00 0.00 C ATOM 90 O ASN A 6 7.395 -6.558 5.570 1.00 0.00 O ATOM 91 CB ASN A 6 7.898 -8.787 7.780 1.00 0.00 C ATOM 92 CG ASN A 6 7.228 -9.804 8.710 1.00 0.00 C ATOM 93 OD1 ASN A 6 7.566 -9.874 9.891 1.00 0.00 O ATOM 94 ND2 ASN A 6 6.302 -10.605 8.255 1.00 0.00 N ATOM 0 H ASN A 6 7.978 -10.790 6.351 1.00 0.00 H new ATOM 0 HA ASN A 6 6.192 -8.659 6.468 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.963 -9.005 7.706 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.806 -7.787 8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.864 -11.283 8.878 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.017 -10.552 7.277 1.00 0.00 H new ATOM 101 N LYS A 7 8.901 -8.036 4.762 1.00 0.00 N ATOM 102 CA LYS A 7 9.566 -7.064 3.897 1.00 0.00 C ATOM 103 C LYS A 7 8.572 -6.423 2.935 1.00 0.00 C ATOM 104 O LYS A 7 8.652 -5.228 2.657 1.00 0.00 O ATOM 105 CB LYS A 7 10.685 -7.749 3.102 1.00 0.00 C ATOM 106 CG LYS A 7 11.788 -8.224 4.058 1.00 0.00 C ATOM 107 CD LYS A 7 12.942 -8.835 3.252 1.00 0.00 C ATOM 108 CE LYS A 7 14.002 -9.400 4.203 1.00 0.00 C ATOM 109 NZ LYS A 7 13.485 -10.638 4.853 1.00 0.00 N ATOM 0 H LYS A 7 9.298 -8.975 4.723 1.00 0.00 H new ATOM 0 HA LYS A 7 9.993 -6.283 4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.283 -8.596 2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.100 -7.056 2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.151 -7.387 4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.387 -8.961 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.565 -9.625 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.387 -8.078 2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.917 -9.621 3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.257 -8.659 4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.434 -10.494 5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.536 -10.853 4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.124 -11.432 4.646 1.00 0.00 H new ATOM 123 N GLU A 8 7.636 -7.232 2.451 1.00 0.00 N ATOM 124 CA GLU A 8 6.605 -6.754 1.523 1.00 0.00 C ATOM 125 C GLU A 8 5.716 -5.712 2.180 1.00 0.00 C ATOM 126 O GLU A 8 5.225 -4.794 1.521 1.00 0.00 O ATOM 127 CB GLU A 8 5.743 -7.923 1.022 1.00 0.00 C ATOM 128 CG GLU A 8 6.539 -8.775 0.021 1.00 0.00 C ATOM 129 CD GLU A 8 6.994 -7.920 -1.168 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.144 -7.299 -1.792 1.00 0.00 O ATOM 131 OE2 GLU A 8 8.184 -7.897 -1.437 1.00 0.00 O ATOM 0 H GLU A 8 7.566 -8.223 2.683 1.00 0.00 H new ATOM 0 HA GLU A 8 7.114 -6.294 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.426 -8.538 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.839 -7.541 0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.406 -9.212 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.923 -9.602 -0.332 1.00 0.00 H new ATOM 138 N LEU A 9 5.512 -5.862 3.478 1.00 0.00 N ATOM 139 CA LEU A 9 4.680 -4.923 4.219 1.00 0.00 C ATOM 140 C LEU A 9 5.390 -3.590 4.350 1.00 0.00 C ATOM 141 O LEU A 9 4.760 -2.540 4.265 1.00 0.00 O ATOM 142 CB LEU A 9 4.329 -5.464 5.613 1.00 0.00 C ATOM 143 CG LEU A 9 3.330 -6.623 5.491 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.007 -7.824 4.830 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.830 -7.026 6.883 1.00 0.00 C ATOM 0 H LEU A 9 5.906 -6.618 4.038 1.00 0.00 H new ATOM 0 HA LEU A 9 3.752 -4.789 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.233 -5.804 6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.903 -4.668 6.224 1.00 0.00 H new ATOM 0 HG LEU A 9 2.486 -6.301 4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.293 -8.643 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.356 -7.544 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.855 -8.142 5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.121 -7.849 6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.675 -7.341 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.338 -6.175 7.354 1.00 0.00 H new ATOM 157 N GLY A 10 6.713 -3.634 4.508 1.00 0.00 N ATOM 158 CA GLY A 10 7.494 -2.415 4.598 1.00 0.00 C ATOM 159 C GLY A 10 7.602 -1.834 3.211 1.00 0.00 C ATOM 160 O GLY A 10 7.727 -0.623 3.021 1.00 0.00 O ATOM 0 H GLY A 10 7.256 -4.495 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.017 -1.705 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.484 -2.625 5.003 1.00 0.00 H new ATOM 164 N TRP A 11 7.563 -2.747 2.244 1.00 0.00 N ATOM 165 CA TRP A 11 7.670 -2.394 0.853 1.00 0.00 C ATOM 166 C TRP A 11 6.456 -1.613 0.367 1.00 0.00 C ATOM 167 O TRP A 11 6.585 -0.527 -0.181 1.00 0.00 O ATOM 168 CB TRP A 11 7.770 -3.688 0.039 1.00 0.00 C ATOM 169 CG TRP A 11 8.259 -3.367 -1.316 1.00 0.00 C ATOM 170 CD1 TRP A 11 9.551 -3.235 -1.623 1.00 0.00 C ATOM 171 CD2 TRP A 11 7.502 -3.131 -2.534 1.00 0.00 C ATOM 172 NE1 TRP A 11 9.654 -2.901 -2.964 1.00 0.00 N ATOM 173 CE2 TRP A 11 8.414 -2.839 -3.570 1.00 0.00 C ATOM 174 CE3 TRP A 11 6.128 -3.140 -2.835 1.00 0.00 C ATOM 175 CZ2 TRP A 11 7.981 -2.563 -4.866 1.00 0.00 C ATOM 176 CZ3 TRP A 11 5.688 -2.864 -4.139 1.00 0.00 C ATOM 177 CH2 TRP A 11 6.612 -2.576 -5.153 1.00 0.00 C ATOM 0 H TRP A 11 7.456 -3.747 2.414 1.00 0.00 H new ATOM 0 HA TRP A 11 8.550 -1.764 0.726 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.447 -4.389 0.527 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.796 -4.173 -0.018 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.378 -3.366 -0.941 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.536 -2.723 -3.444 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.409 -3.360 -2.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 8.697 -2.341 -5.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.631 -2.874 -4.362 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.267 -2.364 -6.154 1.00 0.00 H new ATOM 188 N ALA A 12 5.275 -2.167 0.552 1.00 0.00 N ATOM 189 CA ALA A 12 4.077 -1.485 0.098 1.00 0.00 C ATOM 190 C ALA A 12 3.722 -0.267 0.936 1.00 0.00 C ATOM 191 O ALA A 12 3.159 0.692 0.426 1.00 0.00 O ATOM 192 CB ALA A 12 2.899 -2.430 0.064 1.00 0.00 C ATOM 0 H ALA A 12 5.118 -3.068 1.003 1.00 0.00 H new ATOM 0 HA ALA A 12 4.302 -1.133 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.013 -1.895 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.113 -3.253 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.720 -2.824 1.064 1.00 0.00 H new ATOM 198 N THR A 13 3.994 -0.326 2.232 1.00 0.00 N ATOM 199 CA THR A 13 3.605 0.775 3.106 1.00 0.00 C ATOM 200 C THR A 13 4.235 2.073 2.669 1.00 0.00 C ATOM 201 O THR A 13 3.532 3.064 2.527 1.00 0.00 O ATOM 202 CB THR A 13 3.959 0.486 4.572 1.00 0.00 C ATOM 203 OG1 THR A 13 3.248 -0.663 5.005 1.00 0.00 O ATOM 204 CG2 THR A 13 3.568 1.685 5.453 1.00 0.00 C ATOM 0 H THR A 13 4.469 -1.101 2.694 1.00 0.00 H new ATOM 0 HA THR A 13 2.522 0.872 3.028 1.00 0.00 H new ATOM 0 HB THR A 13 5.032 0.314 4.656 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.855 -1.432 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.822 1.472 6.491 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.109 2.572 5.122 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.496 1.862 5.371 1.00 0.00 H new ATOM 212 N TRP A 14 5.538 2.057 2.423 1.00 0.00 N ATOM 213 CA TRP A 14 6.218 3.259 1.973 1.00 0.00 C ATOM 214 C TRP A 14 5.781 3.597 0.522 1.00 0.00 C ATOM 215 O TRP A 14 5.592 4.769 0.198 1.00 0.00 O ATOM 216 CB TRP A 14 7.751 3.086 2.123 1.00 0.00 C ATOM 217 CG TRP A 14 8.392 3.287 0.802 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.633 4.476 0.209 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.799 2.273 -0.121 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.134 4.239 -1.053 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.257 2.888 -1.294 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.804 0.884 -0.048 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.691 2.140 -2.368 1.00 0.00 C ATOM 224 CZ3 TRP A 14 9.246 0.127 -1.126 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.681 0.751 -2.285 1.00 0.00 C ATOM 0 H TRP A 14 6.136 1.237 2.526 1.00 0.00 H new ATOM 0 HA TRP A 14 5.936 4.109 2.595 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.142 3.804 2.844 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.982 2.092 2.506 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.462 5.447 0.649 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.381 4.969 -1.721 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.463 0.392 0.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 10.036 2.629 -3.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 9.251 -0.951 -1.061 1.00 0.00 H new ATOM 0 HH2 TRP A 14 10.013 0.158 -3.125 1.00 0.00 H new ATOM 236 N GLU A 15 5.626 2.567 -0.346 1.00 0.00 N ATOM 237 CA GLU A 15 5.220 2.792 -1.742 1.00 0.00 C ATOM 238 C GLU A 15 3.891 3.530 -1.827 1.00 0.00 C ATOM 239 O GLU A 15 3.742 4.510 -2.558 1.00 0.00 O ATOM 240 CB GLU A 15 5.003 1.428 -2.392 1.00 0.00 C ATOM 241 CG GLU A 15 6.319 0.748 -2.715 1.00 0.00 C ATOM 242 CD GLU A 15 6.823 1.193 -4.088 1.00 0.00 C ATOM 243 OE1 GLU A 15 7.368 2.282 -4.177 1.00 0.00 O ATOM 244 OE2 GLU A 15 6.643 0.447 -5.034 1.00 0.00 O ATOM 0 H GLU A 15 5.775 1.588 -0.102 1.00 0.00 H new ATOM 0 HA GLU A 15 5.995 3.381 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.420 0.794 -1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.421 1.548 -3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.059 0.991 -1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.190 -0.334 -2.701 1.00 0.00 H new ATOM 251 N ILE A 16 2.944 3.036 -1.063 1.00 0.00 N ATOM 252 CA ILE A 16 1.605 3.598 -0.994 1.00 0.00 C ATOM 253 C ILE A 16 1.670 4.963 -0.344 1.00 0.00 C ATOM 254 O ILE A 16 1.069 5.922 -0.812 1.00 0.00 O ATOM 255 CB ILE A 16 0.777 2.588 -0.199 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.795 1.297 -1.029 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.673 3.062 0.051 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.099 0.189 -0.266 1.00 0.00 C ATOM 0 H ILE A 16 3.079 2.222 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 16 1.148 3.755 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 16 1.202 2.449 0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.298 1.461 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.823 1.009 -1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.211 2.303 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.659 3.995 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.173 3.222 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.114 -0.726 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.615 0.018 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.934 0.476 -0.068 1.00 0.00 H new ATOM 270 N PHE A 17 2.449 5.037 0.714 1.00 0.00 N ATOM 271 CA PHE A 17 2.648 6.297 1.426 1.00 0.00 C ATOM 272 C PHE A 17 3.333 7.344 0.540 1.00 0.00 C ATOM 273 O PHE A 17 3.257 8.542 0.823 1.00 0.00 O ATOM 274 CB PHE A 17 3.518 6.060 2.662 1.00 0.00 C ATOM 275 CG PHE A 17 2.693 6.039 3.934 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.619 6.930 4.121 1.00 0.00 C ATOM 277 CD2 PHE A 17 3.020 5.123 4.940 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.885 6.891 5.313 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.282 5.084 6.124 1.00 0.00 C ATOM 280 CZ PHE A 17 1.215 5.968 6.314 1.00 0.00 C ATOM 0 H PHE A 17 2.958 4.244 1.106 1.00 0.00 H new ATOM 0 HA PHE A 17 1.665 6.671 1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.049 5.114 2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.273 6.843 2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.362 7.640 3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.847 4.443 4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.062 7.575 5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.535 4.370 6.894 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.646 5.939 7.231 1.00 0.00 H new ATOM 290 N ASN A 18 4.000 6.888 -0.522 1.00 0.00 N ATOM 291 CA ASN A 18 4.701 7.796 -1.433 1.00 0.00 C ATOM 292 C ASN A 18 3.749 8.350 -2.482 1.00 0.00 C ATOM 293 O ASN A 18 4.180 8.907 -3.496 1.00 0.00 O ATOM 294 CB ASN A 18 5.873 7.068 -2.109 1.00 0.00 C ATOM 295 CG ASN A 18 7.089 7.040 -1.185 1.00 0.00 C ATOM 296 OD1 ASN A 18 6.963 7.214 0.028 1.00 0.00 O ATOM 297 ND2 ASN A 18 8.272 6.836 -1.693 1.00 0.00 N ATOM 0 H ASN A 18 4.070 5.902 -0.772 1.00 0.00 H new ATOM 0 HA ASN A 18 5.092 8.631 -0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.578 6.050 -2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.130 7.568 -3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.092 6.821 -1.086 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.378 6.692 -2.697 1.00 0.00 H new ATOM 304 N LEU A 19 2.450 8.212 -2.225 1.00 0.00 N ATOM 305 CA LEU A 19 1.451 8.714 -3.141 1.00 0.00 C ATOM 306 C LEU A 19 1.148 10.156 -2.810 1.00 0.00 C ATOM 307 O LEU A 19 0.857 10.481 -1.656 1.00 0.00 O ATOM 308 CB LEU A 19 0.185 7.869 -3.065 1.00 0.00 C ATOM 309 CG LEU A 19 0.413 6.518 -3.762 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.917 5.844 -4.058 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.141 6.713 -5.080 1.00 0.00 C ATOM 0 H LEU A 19 2.075 7.758 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 19 1.835 8.654 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.093 7.708 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.643 8.397 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 19 1.010 5.899 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.739 4.889 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.455 5.676 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.512 6.484 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.293 5.745 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.546 7.351 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.107 7.183 -4.896 1.00 0.00 H new ATOM 323 N PRO A 20 1.263 11.039 -3.773 1.00 0.00 N ATOM 324 CA PRO A 20 1.051 12.473 -3.527 1.00 0.00 C ATOM 325 C PRO A 20 -0.401 12.895 -3.271 1.00 0.00 C ATOM 326 O PRO A 20 -0.648 14.093 -3.117 1.00 0.00 O ATOM 327 CB PRO A 20 1.603 13.183 -4.776 1.00 0.00 C ATOM 328 CG PRO A 20 2.110 12.122 -5.699 1.00 0.00 C ATOM 329 CD PRO A 20 1.607 10.778 -5.182 1.00 0.00 C ATOM 0 HA PRO A 20 1.557 12.745 -2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.824 13.773 -5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.403 13.872 -4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.756 12.298 -6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.199 12.135 -5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.741 10.433 -5.746 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.372 10.006 -5.269 1.00 0.00 H new ATOM 337 N ASN A 21 -1.369 11.959 -3.245 1.00 0.00 N ATOM 338 CA ASN A 21 -2.754 12.368 -3.031 1.00 0.00 C ATOM 339 C ASN A 21 -3.408 11.603 -1.886 1.00 0.00 C ATOM 340 O ASN A 21 -4.511 11.950 -1.475 1.00 0.00 O ATOM 341 CB ASN A 21 -3.550 12.164 -4.323 1.00 0.00 C ATOM 342 CG ASN A 21 -2.879 12.891 -5.489 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.472 14.046 -5.356 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.745 12.281 -6.632 1.00 0.00 N ATOM 0 H ASN A 21 -1.220 10.957 -3.365 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.754 13.423 -2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.625 11.100 -4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.567 12.535 -4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.303 12.760 -7.417 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.082 11.325 -6.742 1.00 0.00 H new ATOM 351 N LEU A 22 -2.732 10.577 -1.360 1.00 0.00 N ATOM 352 CA LEU A 22 -3.293 9.804 -0.260 1.00 0.00 C ATOM 353 C LEU A 22 -3.326 10.583 1.039 1.00 0.00 C ATOM 354 O LEU A 22 -2.608 11.567 1.227 1.00 0.00 O ATOM 355 CB LEU A 22 -2.459 8.564 0.028 1.00 0.00 C ATOM 356 CG LEU A 22 -2.509 7.551 -1.110 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.743 6.291 -0.681 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.956 7.169 -1.400 1.00 0.00 C ATOM 0 H LEU A 22 -1.812 10.270 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.302 9.549 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.424 8.858 0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.816 8.094 0.944 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.062 7.986 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.770 5.557 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.707 6.552 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.207 5.869 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.985 6.445 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.402 6.730 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.517 8.059 -1.686 1.00 0.00 H new ATOM 370 N ASN A 23 -4.128 10.052 1.950 1.00 0.00 N ATOM 371 CA ASN A 23 -4.253 10.578 3.291 1.00 0.00 C ATOM 372 C ASN A 23 -4.003 9.415 4.248 1.00 0.00 C ATOM 373 O ASN A 23 -4.123 8.250 3.853 1.00 0.00 O ATOM 374 CB ASN A 23 -5.647 11.185 3.504 1.00 0.00 C ATOM 375 CG ASN A 23 -6.725 10.208 3.051 1.00 0.00 C ATOM 376 OD1 ASN A 23 -6.845 9.126 3.608 1.00 0.00 O ATOM 377 ND2 ASN A 23 -7.511 10.525 2.062 1.00 0.00 N ATOM 0 H ASN A 23 -4.714 9.236 1.772 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.533 11.377 3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.788 11.429 4.557 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.734 12.117 2.946 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.228 9.870 1.751 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.409 11.428 1.599 1.00 0.00 H new ATOM 384 N GLY A 24 -3.634 9.724 5.484 1.00 0.00 N ATOM 385 CA GLY A 24 -3.342 8.694 6.481 1.00 0.00 C ATOM 386 C GLY A 24 -4.419 7.608 6.530 1.00 0.00 C ATOM 387 O GLY A 24 -4.129 6.474 6.895 1.00 0.00 O ATOM 0 H GLY A 24 -3.529 10.680 5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.379 8.237 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.253 9.158 7.463 1.00 0.00 H new ATOM 391 N VAL A 25 -5.655 7.957 6.167 1.00 0.00 N ATOM 392 CA VAL A 25 -6.752 6.991 6.188 1.00 0.00 C ATOM 393 C VAL A 25 -6.645 5.993 5.031 1.00 0.00 C ATOM 394 O VAL A 25 -6.742 4.783 5.245 1.00 0.00 O ATOM 395 CB VAL A 25 -8.102 7.722 6.123 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.247 6.702 6.183 1.00 0.00 C ATOM 397 CG2 VAL A 25 -8.215 8.685 7.313 1.00 0.00 C ATOM 0 H VAL A 25 -5.919 8.893 5.858 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.685 6.433 7.122 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.166 8.281 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.203 7.224 6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.167 6.016 5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.185 6.140 7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.172 9.206 7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.149 8.122 8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.404 9.412 7.271 1.00 0.00 H new ATOM 407 N GLN A 26 -6.458 6.507 3.811 1.00 0.00 N ATOM 408 CA GLN A 26 -6.358 5.659 2.631 1.00 0.00 C ATOM 409 C GLN A 26 -5.101 4.821 2.653 1.00 0.00 C ATOM 410 O GLN A 26 -5.153 3.622 2.377 1.00 0.00 O ATOM 411 CB GLN A 26 -6.400 6.530 1.382 1.00 0.00 C ATOM 412 CG GLN A 26 -7.797 7.144 1.262 1.00 0.00 C ATOM 413 CD GLN A 26 -7.926 7.987 -0.004 1.00 0.00 C ATOM 414 OE1 GLN A 26 -8.901 8.719 -0.163 1.00 0.00 O ATOM 415 NE2 GLN A 26 -7.012 7.916 -0.928 1.00 0.00 N ATOM 0 H GLN A 26 -6.374 7.506 3.621 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.203 4.971 2.626 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.646 7.315 1.442 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.171 5.935 0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.545 6.351 1.251 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.001 7.763 2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.202 7.310 -0.799 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.106 8.467 -1.781 1.00 0.00 H new ATOM 424 N VAL A 27 -3.976 5.439 2.999 1.00 0.00 N ATOM 425 CA VAL A 27 -2.726 4.700 3.056 1.00 0.00 C ATOM 426 C VAL A 27 -2.859 3.572 4.058 1.00 0.00 C ATOM 427 O VAL A 27 -2.601 2.424 3.734 1.00 0.00 O ATOM 428 CB VAL A 27 -1.579 5.620 3.484 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.276 4.811 3.471 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.473 6.800 2.515 1.00 0.00 C ATOM 0 H VAL A 27 -3.906 6.428 3.239 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.508 4.300 2.066 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.764 6.008 4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.553 5.451 3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.360 3.974 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.093 4.432 2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.656 7.452 2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.281 6.428 1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.407 7.362 2.522 1.00 0.00 H new ATOM 440 N LYS A 28 -3.313 3.926 5.255 1.00 0.00 N ATOM 441 CA LYS A 28 -3.525 2.976 6.340 1.00 0.00 C ATOM 442 C LYS A 28 -4.429 1.858 5.874 1.00 0.00 C ATOM 443 O LYS A 28 -4.252 0.715 6.269 1.00 0.00 O ATOM 444 CB LYS A 28 -4.151 3.685 7.540 1.00 0.00 C ATOM 445 CG LYS A 28 -4.284 2.713 8.720 1.00 0.00 C ATOM 446 CD LYS A 28 -4.912 3.444 9.910 1.00 0.00 C ATOM 447 CE LYS A 28 -6.424 3.580 9.696 1.00 0.00 C ATOM 448 NZ LYS A 28 -7.089 2.280 9.998 1.00 0.00 N ATOM 0 H LYS A 28 -3.546 4.888 5.501 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.564 2.557 6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.536 4.537 7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.132 4.076 7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.901 1.860 8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.305 2.321 8.995 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.714 2.896 10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.461 4.430 10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.824 4.363 10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.631 3.876 8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.118 2.421 10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.872 1.596 9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.741 1.915 10.908 1.00 0.00 H new ATOM 462 N ALA A 29 -5.383 2.195 5.017 1.00 0.00 N ATOM 463 CA ALA A 29 -6.292 1.205 4.478 1.00 0.00 C ATOM 464 C ALA A 29 -5.495 0.204 3.656 1.00 0.00 C ATOM 465 O ALA A 29 -5.702 -1.004 3.759 1.00 0.00 O ATOM 466 CB ALA A 29 -7.332 1.886 3.597 1.00 0.00 C ATOM 0 H ALA A 29 -5.544 3.145 4.683 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.803 0.690 5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.014 1.137 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.895 2.607 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.833 2.401 2.777 1.00 0.00 H new ATOM 472 N PHE A 30 -4.558 0.724 2.858 1.00 0.00 N ATOM 473 CA PHE A 30 -3.716 -0.107 2.057 1.00 0.00 C ATOM 474 C PHE A 30 -2.699 -0.788 2.956 1.00 0.00 C ATOM 475 O PHE A 30 -2.399 -1.968 2.776 1.00 0.00 O ATOM 476 CB PHE A 30 -3.078 0.735 0.962 1.00 0.00 C ATOM 477 CG PHE A 30 -4.186 1.376 0.149 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.211 0.575 -0.379 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.213 2.763 -0.058 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.246 1.156 -1.101 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.254 3.336 -0.779 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.269 2.533 -1.300 1.00 0.00 C ATOM 0 H PHE A 30 -4.379 1.724 2.764 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.287 -0.892 1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.435 1.500 1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.449 0.115 0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.195 -0.494 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.426 3.385 0.342 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.033 0.539 -1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.277 4.404 -0.936 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.076 2.982 -1.860 1.00 0.00 H new ATOM 492 N ILE A 31 -2.220 -0.051 3.969 1.00 0.00 N ATOM 493 CA ILE A 31 -1.291 -0.616 4.936 1.00 0.00 C ATOM 494 C ILE A 31 -2.027 -1.742 5.676 1.00 0.00 C ATOM 495 O ILE A 31 -1.432 -2.752 6.050 1.00 0.00 O ATOM 496 CB ILE A 31 -0.786 0.429 5.973 1.00 0.00 C ATOM 497 CG1 ILE A 31 -0.287 1.762 5.337 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.379 -0.183 6.757 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.293 1.569 3.941 1.00 0.00 C ATOM 0 H ILE A 31 -2.462 0.926 4.132 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.413 -0.977 4.401 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.639 0.672 6.607 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.116 2.468 5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.471 2.206 5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.744 0.538 7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.039 -1.082 7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.184 -0.442 6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.624 2.530 3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.141 0.886 3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.471 1.152 3.284 1.00 0.00 H new ATOM 511 N ASP A 32 -3.342 -1.547 5.875 1.00 0.00 N ATOM 512 CA ASP A 32 -4.176 -2.540 6.553 1.00 0.00 C ATOM 513 C ASP A 32 -4.342 -3.771 5.668 1.00 0.00 C ATOM 514 O ASP A 32 -4.261 -4.908 6.140 1.00 0.00 O ATOM 515 CB ASP A 32 -5.553 -1.939 6.878 1.00 0.00 C ATOM 516 CG ASP A 32 -6.385 -2.940 7.679 1.00 0.00 C ATOM 517 OD1 ASP A 32 -6.234 -2.969 8.890 1.00 0.00 O ATOM 518 OD2 ASP A 32 -7.156 -3.663 7.071 1.00 0.00 O ATOM 0 H ASP A 32 -3.844 -0.711 5.575 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.690 -2.833 7.483 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.431 -1.017 7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.072 -1.678 5.956 1.00 0.00 H new ATOM 523 N SER A 33 -4.560 -3.523 4.375 1.00 0.00 N ATOM 524 CA SER A 33 -4.723 -4.597 3.400 1.00 0.00 C ATOM 525 C SER A 33 -3.451 -5.435 3.333 1.00 0.00 C ATOM 526 O SER A 33 -3.495 -6.636 3.065 1.00 0.00 O ATOM 527 CB SER A 33 -5.040 -4.010 2.025 1.00 0.00 C ATOM 528 OG SER A 33 -6.189 -3.178 2.119 1.00 0.00 O ATOM 0 H SER A 33 -4.627 -2.585 3.981 1.00 0.00 H new ATOM 0 HA SER A 33 -5.550 -5.236 3.709 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.190 -3.434 1.659 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.216 -4.811 1.307 1.00 0.00 H new ATOM 0 HG SER A 33 -5.967 -2.369 2.626 1.00 0.00 H new ATOM 534 N LEU A 34 -2.317 -4.781 3.594 1.00 0.00 N ATOM 535 CA LEU A 34 -1.015 -5.450 3.585 1.00 0.00 C ATOM 536 C LEU A 34 -1.018 -6.595 4.594 1.00 0.00 C ATOM 537 O LEU A 34 -0.541 -7.695 4.316 1.00 0.00 O ATOM 538 CB LEU A 34 0.089 -4.446 3.995 1.00 0.00 C ATOM 539 CG LEU A 34 1.083 -4.177 2.868 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.522 -5.490 2.208 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.412 -3.244 1.866 1.00 0.00 C ATOM 0 H LEU A 34 -2.275 -3.786 3.815 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.824 -5.832 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.373 -3.507 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.624 -4.833 4.862 1.00 0.00 H new ATOM 0 HG LEU A 34 1.985 -3.706 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.230 -5.276 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.997 -6.130 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.651 -5.999 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.100 -3.034 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.486 -3.719 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.142 -2.312 2.362 1.00 0.00 H new ATOM 553 N ARG A 35 -1.569 -6.303 5.771 1.00 0.00 N ATOM 554 CA ARG A 35 -1.661 -7.284 6.853 1.00 0.00 C ATOM 555 C ARG A 35 -2.600 -8.410 6.454 1.00 0.00 C ATOM 556 O ARG A 35 -2.373 -9.580 6.769 1.00 0.00 O ATOM 557 CB ARG A 35 -2.201 -6.615 8.131 1.00 0.00 C ATOM 558 CG ARG A 35 -1.426 -5.323 8.445 1.00 0.00 C ATOM 559 CD ARG A 35 0.084 -5.571 8.373 1.00 0.00 C ATOM 560 NE ARG A 35 0.433 -6.778 9.120 1.00 0.00 N ATOM 561 CZ ARG A 35 1.210 -6.729 10.195 1.00 0.00 C ATOM 562 NH1 ARG A 35 0.757 -6.214 11.302 1.00 0.00 N ATOM 563 NH2 ARG A 35 2.424 -7.197 10.144 1.00 0.00 N ATOM 0 H ARG A 35 -1.961 -5.390 6.001 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.665 -7.684 7.042 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.260 -6.388 8.007 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.119 -7.306 8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.706 -4.543 7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.694 -4.964 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.394 -5.676 7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.621 -4.714 8.781 1.00 0.00 H new ATOM 0 HE ARG A 35 0.071 -7.679 8.808 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.194 -5.849 11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.354 -6.176 12.128 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.779 -7.602 9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.020 -7.159 10.971 1.00 0.00 H new ATOM 577 N ASP A 36 -3.653 -8.020 5.755 1.00 0.00 N ATOM 578 CA ASP A 36 -4.668 -8.950 5.281 1.00 0.00 C ATOM 579 C ASP A 36 -4.108 -9.840 4.179 1.00 0.00 C ATOM 580 O ASP A 36 -4.591 -10.951 3.954 1.00 0.00 O ATOM 581 CB ASP A 36 -5.876 -8.159 4.761 1.00 0.00 C ATOM 582 CG ASP A 36 -6.465 -7.270 5.867 1.00 0.00 C ATOM 583 OD1 ASP A 36 -6.489 -7.698 7.010 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.890 -6.172 5.549 1.00 0.00 O ATOM 0 H ASP A 36 -3.830 -7.049 5.499 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.979 -9.589 6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.575 -7.542 3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.638 -8.848 4.398 1.00 0.00 H new ATOM 589 N ASP A 37 -3.077 -9.335 3.508 1.00 0.00 N ATOM 590 CA ASP A 37 -2.424 -10.060 2.432 1.00 0.00 C ATOM 591 C ASP A 37 -1.119 -9.368 2.051 1.00 0.00 C ATOM 592 O ASP A 37 -1.130 -8.279 1.470 1.00 0.00 O ATOM 593 CB ASP A 37 -3.335 -10.160 1.206 1.00 0.00 C ATOM 594 CG ASP A 37 -2.858 -11.291 0.287 1.00 0.00 C ATOM 595 OD1 ASP A 37 -1.687 -11.296 -0.065 1.00 0.00 O ATOM 596 OD2 ASP A 37 -3.671 -12.133 -0.055 1.00 0.00 O ATOM 0 H ASP A 37 -2.675 -8.417 3.696 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.209 -11.069 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.362 -10.345 1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.333 -9.215 0.664 1.00 0.00 H new ATOM 601 N PRO A 38 -0.005 -9.978 2.366 1.00 0.00 N ATOM 602 CA PRO A 38 1.336 -9.420 2.053 1.00 0.00 C ATOM 603 C PRO A 38 1.688 -9.522 0.569 1.00 0.00 C ATOM 604 O PRO A 38 2.439 -8.697 0.044 1.00 0.00 O ATOM 605 CB PRO A 38 2.295 -10.243 2.921 1.00 0.00 C ATOM 606 CG PRO A 38 1.463 -11.193 3.720 1.00 0.00 C ATOM 607 CD PRO A 38 0.111 -11.275 3.049 1.00 0.00 C ATOM 0 HA PRO A 38 1.387 -8.352 2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.008 -10.785 2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.874 -9.593 3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.933 -12.176 3.761 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.362 -10.845 4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.060 -12.106 2.346 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.690 -11.421 3.774 1.00 0.00 H new ATOM 615 N SER A 39 1.131 -10.534 -0.100 1.00 0.00 N ATOM 616 CA SER A 39 1.380 -10.737 -1.527 1.00 0.00 C ATOM 617 C SER A 39 0.681 -9.655 -2.344 1.00 0.00 C ATOM 618 O SER A 39 1.110 -9.318 -3.450 1.00 0.00 O ATOM 619 CB SER A 39 0.873 -12.118 -1.958 1.00 0.00 C ATOM 620 OG SER A 39 1.342 -12.404 -3.269 1.00 0.00 O ATOM 0 H SER A 39 0.508 -11.222 0.322 1.00 0.00 H new ATOM 0 HA SER A 39 2.454 -10.678 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.222 -12.880 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.217 -12.141 -1.936 1.00 0.00 H new ATOM 0 HG SER A 39 1.020 -13.287 -3.546 1.00 0.00 H new ATOM 626 N GLN A 40 -0.406 -9.130 -1.785 1.00 0.00 N ATOM 627 CA GLN A 40 -1.194 -8.096 -2.445 1.00 0.00 C ATOM 628 C GLN A 40 -0.515 -6.749 -2.425 1.00 0.00 C ATOM 629 O GLN A 40 -1.003 -5.838 -3.063 1.00 0.00 O ATOM 630 CB GLN A 40 -2.558 -7.947 -1.760 1.00 0.00 C ATOM 631 CG GLN A 40 -3.433 -9.169 -2.038 1.00 0.00 C ATOM 632 CD GLN A 40 -3.931 -9.152 -3.481 1.00 0.00 C ATOM 633 OE1 GLN A 40 -4.686 -8.261 -3.866 1.00 0.00 O ATOM 634 NE2 GLN A 40 -3.548 -10.086 -4.304 1.00 0.00 N ATOM 0 H GLN A 40 -0.762 -9.407 -0.870 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.309 -8.415 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.421 -7.828 -0.685 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.056 -7.047 -2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.864 -10.080 -1.854 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.282 -9.179 -1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.922 -10.824 -3.982 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.874 -10.079 -5.270 1.00 0.00 H new ATOM 643 N SER A 41 0.583 -6.618 -1.694 1.00 0.00 N ATOM 644 CA SER A 41 1.263 -5.333 -1.562 1.00 0.00 C ATOM 645 C SER A 41 1.280 -4.539 -2.867 1.00 0.00 C ATOM 646 O SER A 41 1.037 -3.338 -2.846 1.00 0.00 O ATOM 647 CB SER A 41 2.705 -5.589 -1.104 1.00 0.00 C ATOM 648 OG SER A 41 3.339 -6.471 -2.022 1.00 0.00 O ATOM 0 H SER A 41 1.023 -7.383 -1.183 1.00 0.00 H new ATOM 0 HA SER A 41 0.715 -4.737 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.253 -4.649 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.710 -6.022 -0.104 1.00 0.00 H new ATOM 0 HG SER A 41 4.267 -6.620 -1.745 1.00 0.00 H new ATOM 654 N ALA A 42 1.505 -5.206 -3.989 1.00 0.00 N ATOM 655 CA ALA A 42 1.505 -4.535 -5.282 1.00 0.00 C ATOM 656 C ALA A 42 0.093 -4.093 -5.679 1.00 0.00 C ATOM 657 O ALA A 42 -0.097 -3.050 -6.303 1.00 0.00 O ATOM 658 CB ALA A 42 2.056 -5.484 -6.334 1.00 0.00 C ATOM 0 H ALA A 42 1.689 -6.208 -4.031 1.00 0.00 H new ATOM 0 HA ALA A 42 2.130 -3.645 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.059 -4.989 -7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.074 -5.770 -6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.430 -6.375 -6.383 1.00 0.00 H new ATOM 664 N ASN A 43 -0.886 -4.905 -5.303 1.00 0.00 N ATOM 665 CA ASN A 43 -2.283 -4.625 -5.581 1.00 0.00 C ATOM 666 C ASN A 43 -2.760 -3.472 -4.713 1.00 0.00 C ATOM 667 O ASN A 43 -3.500 -2.605 -5.146 1.00 0.00 O ATOM 668 CB ASN A 43 -3.120 -5.870 -5.308 1.00 0.00 C ATOM 669 CG ASN A 43 -4.477 -5.784 -6.005 1.00 0.00 C ATOM 670 OD1 ASN A 43 -4.935 -4.701 -6.372 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.147 -6.879 -6.214 1.00 0.00 N ATOM 0 H ASN A 43 -0.731 -5.777 -4.796 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.394 -4.346 -6.629 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.585 -6.755 -5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.266 -5.986 -4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.052 -6.841 -6.682 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.767 -7.775 -5.910 1.00 0.00 H new ATOM 678 N LEU A 44 -2.290 -3.484 -3.476 1.00 0.00 N ATOM 679 CA LEU A 44 -2.600 -2.460 -2.495 1.00 0.00 C ATOM 680 C LEU A 44 -2.030 -1.177 -3.021 1.00 0.00 C ATOM 681 O LEU A 44 -2.650 -0.124 -2.949 1.00 0.00 O ATOM 682 CB LEU A 44 -2.006 -2.886 -1.145 1.00 0.00 C ATOM 683 CG LEU A 44 -2.453 -4.333 -0.900 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.025 -4.860 0.442 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.951 -4.436 -1.025 1.00 0.00 C ATOM 0 H LEU A 44 -1.674 -4.216 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.669 -2.321 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.918 -2.815 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.356 -2.233 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.965 -4.945 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.370 -5.887 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.938 -4.833 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.456 -4.242 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.261 -5.466 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.423 -3.785 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.254 -4.131 -2.027 1.00 0.00 H new ATOM 697 N LEU A 45 -0.872 -1.331 -3.643 1.00 0.00 N ATOM 698 CA LEU A 45 -0.208 -0.241 -4.317 1.00 0.00 C ATOM 699 C LEU A 45 -1.111 0.237 -5.430 1.00 0.00 C ATOM 700 O LEU A 45 -1.293 1.423 -5.648 1.00 0.00 O ATOM 701 CB LEU A 45 1.061 -0.761 -4.998 1.00 0.00 C ATOM 702 CG LEU A 45 2.321 -0.207 -4.396 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.211 1.314 -4.198 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.508 -0.974 -3.102 1.00 0.00 C ATOM 0 H LEU A 45 -0.371 -2.218 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 45 0.023 0.544 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.082 -1.849 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.029 -0.506 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 45 3.192 -0.333 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.135 1.692 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.042 1.795 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.378 1.535 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.411 -0.626 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.647 -0.810 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.601 -2.038 -3.320 1.00 0.00 H new ATOM 716 N ALA A 46 -1.653 -0.753 -6.134 1.00 0.00 N ATOM 717 CA ALA A 46 -2.533 -0.525 -7.267 1.00 0.00 C ATOM 718 C ALA A 46 -3.755 0.233 -6.817 1.00 0.00 C ATOM 719 O ALA A 46 -4.160 1.227 -7.419 1.00 0.00 O ATOM 720 CB ALA A 46 -2.975 -1.874 -7.833 1.00 0.00 C ATOM 0 H ALA A 46 -1.491 -1.739 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.003 0.050 -8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.636 -1.712 -8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.100 -2.438 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.505 -2.435 -7.064 1.00 0.00 H new ATOM 726 N GLU A 47 -4.303 -0.249 -5.721 1.00 0.00 N ATOM 727 CA GLU A 47 -5.447 0.346 -5.109 1.00 0.00 C ATOM 728 C GLU A 47 -5.080 1.722 -4.607 1.00 0.00 C ATOM 729 O GLU A 47 -5.885 2.650 -4.622 1.00 0.00 O ATOM 730 CB GLU A 47 -5.850 -0.535 -3.950 1.00 0.00 C ATOM 731 CG GLU A 47 -6.509 -1.837 -4.440 1.00 0.00 C ATOM 732 CD GLU A 47 -7.653 -1.543 -5.416 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.549 -0.797 -5.051 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.613 -2.068 -6.517 1.00 0.00 O ATOM 0 H GLU A 47 -3.954 -1.074 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.269 0.440 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.972 -0.773 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.542 0.005 -3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.763 -2.465 -4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.890 -2.399 -3.587 1.00 0.00 H new ATOM 741 N ALA A 48 -3.835 1.827 -4.177 1.00 0.00 N ATOM 742 CA ALA A 48 -3.302 3.074 -3.680 1.00 0.00 C ATOM 743 C ALA A 48 -3.186 4.060 -4.820 1.00 0.00 C ATOM 744 O ALA A 48 -3.587 5.214 -4.694 1.00 0.00 O ATOM 745 CB ALA A 48 -1.922 2.841 -3.080 1.00 0.00 C ATOM 0 H ALA A 48 -3.172 1.052 -4.164 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.969 3.470 -2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.524 3.784 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.998 2.128 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.255 2.443 -3.845 1.00 0.00 H new ATOM 751 N LYS A 49 -2.660 3.575 -5.947 1.00 0.00 N ATOM 752 CA LYS A 49 -2.517 4.407 -7.132 1.00 0.00 C ATOM 753 C LYS A 49 -3.901 4.857 -7.542 1.00 0.00 C ATOM 754 O LYS A 49 -4.106 5.984 -7.983 1.00 0.00 O ATOM 755 CB LYS A 49 -1.913 3.609 -8.300 1.00 0.00 C ATOM 756 CG LYS A 49 -0.502 3.067 -7.988 1.00 0.00 C ATOM 757 CD LYS A 49 0.250 3.979 -7.021 1.00 0.00 C ATOM 758 CE LYS A 49 1.697 3.497 -6.865 1.00 0.00 C ATOM 759 NZ LYS A 49 2.525 4.036 -7.980 1.00 0.00 N ATOM 0 H LYS A 49 -2.330 2.616 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.860 5.246 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.572 2.775 -8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.865 4.246 -9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.582 2.068 -7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.065 2.972 -8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.237 5.004 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.247 3.984 -6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.100 3.826 -5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.731 2.408 -6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.506 3.709 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.145 3.701 -8.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.503 5.076 -7.958 1.00 0.00 H new ATOM 773 N LYS A 50 -4.846 3.935 -7.367 1.00 0.00 N ATOM 774 CA LYS A 50 -6.238 4.190 -7.693 1.00 0.00 C ATOM 775 C LYS A 50 -6.831 5.220 -6.748 1.00 0.00 C ATOM 776 O LYS A 50 -7.559 6.116 -7.176 1.00 0.00 O ATOM 777 CB LYS A 50 -7.035 2.881 -7.636 1.00 0.00 C ATOM 778 CG LYS A 50 -6.789 2.067 -8.911 1.00 0.00 C ATOM 779 CD LYS A 50 -7.146 0.598 -8.654 1.00 0.00 C ATOM 780 CE LYS A 50 -8.627 0.465 -8.275 1.00 0.00 C ATOM 781 NZ LYS A 50 -9.476 1.127 -9.307 1.00 0.00 N ATOM 0 H LYS A 50 -4.666 3.001 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.293 4.592 -8.705 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.739 2.302 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.098 3.096 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.391 2.461 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.745 2.152 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.938 0.005 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.522 0.200 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.897 -0.588 -8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.804 0.919 -7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.467 0.837 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.402 2.160 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.152 0.847 -10.255 1.00 0.00 H new ATOM 795 N LEU A 51 -6.494 5.102 -5.466 1.00 0.00 N ATOM 796 CA LEU A 51 -6.990 6.058 -4.478 1.00 0.00 C ATOM 797 C LEU A 51 -6.319 7.403 -4.692 1.00 0.00 C ATOM 798 O LEU A 51 -6.970 8.445 -4.674 1.00 0.00 O ATOM 799 CB LEU A 51 -6.765 5.545 -3.045 1.00 0.00 C ATOM 800 CG LEU A 51 -8.120 5.145 -2.421 1.00 0.00 C ATOM 801 CD1 LEU A 51 -9.088 6.344 -2.407 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.743 3.993 -3.233 1.00 0.00 C ATOM 0 H LEU A 51 -5.891 4.369 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.065 6.176 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.091 4.689 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.289 6.318 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.947 4.823 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.036 6.041 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.655 7.154 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.258 6.686 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.699 3.712 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.900 4.316 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.071 3.135 -3.221 1.00 0.00 H new ATOM 814 N ASN A 52 -5.015 7.356 -4.934 1.00 0.00 N ATOM 815 CA ASN A 52 -4.243 8.559 -5.207 1.00 0.00 C ATOM 816 C ASN A 52 -4.794 9.245 -6.447 1.00 0.00 C ATOM 817 O ASN A 52 -4.991 10.455 -6.463 1.00 0.00 O ATOM 818 CB ASN A 52 -2.795 8.165 -5.447 1.00 0.00 C ATOM 819 CG ASN A 52 -1.946 9.368 -5.837 1.00 0.00 C ATOM 820 OD1 ASN A 52 -1.455 10.083 -4.975 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.742 9.629 -7.097 1.00 0.00 N ATOM 0 H ASN A 52 -4.470 6.494 -4.946 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.308 9.243 -4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.387 7.708 -4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.747 7.414 -6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.172 10.431 -7.366 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.152 9.031 -7.815 1.00 0.00 H new ATOM 828 N ASP A 53 -5.058 8.437 -7.475 1.00 0.00 N ATOM 829 CA ASP A 53 -5.611 8.935 -8.724 1.00 0.00 C ATOM 830 C ASP A 53 -6.957 9.582 -8.451 1.00 0.00 C ATOM 831 O ASP A 53 -7.295 10.628 -9.008 1.00 0.00 O ATOM 832 CB ASP A 53 -5.771 7.782 -9.724 1.00 0.00 C ATOM 833 CG ASP A 53 -6.283 8.312 -11.062 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.469 8.769 -11.848 1.00 0.00 O ATOM 835 OD2 ASP A 53 -7.483 8.258 -11.279 1.00 0.00 O ATOM 0 H ASP A 53 -4.895 7.430 -7.461 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.935 9.675 -9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.815 7.279 -9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.466 7.041 -9.328 1.00 0.00 H new ATOM 840 N ALA A 54 -7.702 8.943 -7.562 1.00 0.00 N ATOM 841 CA ALA A 54 -9.008 9.427 -7.158 1.00 0.00 C ATOM 842 C ALA A 54 -8.863 10.725 -6.369 1.00 0.00 C ATOM 843 O ALA A 54 -9.707 11.617 -6.467 1.00 0.00 O ATOM 844 CB ALA A 54 -9.710 8.373 -6.300 1.00 0.00 C ATOM 0 H ALA A 54 -7.417 8.078 -7.103 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.606 9.619 -8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.690 8.742 -6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.829 7.455 -6.876 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.112 8.169 -5.412 1.00 0.00 H new ATOM 850 N GLN A 55 -7.775 10.824 -5.592 1.00 0.00 N ATOM 851 CA GLN A 55 -7.517 12.022 -4.793 1.00 0.00 C ATOM 852 C GLN A 55 -6.657 13.018 -5.570 1.00 0.00 C ATOM 853 O GLN A 55 -6.313 14.088 -5.062 1.00 0.00 O ATOM 854 CB GLN A 55 -6.846 11.635 -3.466 1.00 0.00 C ATOM 855 CG GLN A 55 -7.938 11.419 -2.411 1.00 0.00 C ATOM 856 CD GLN A 55 -7.334 11.394 -1.013 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.637 12.253 -0.186 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.492 10.458 -0.703 1.00 0.00 N ATOM 0 H GLN A 55 -7.068 10.094 -5.503 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.468 12.506 -4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.256 10.727 -3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.160 12.419 -3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.679 12.215 -2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.459 10.481 -2.605 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.243 9.747 -1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.079 10.432 0.229 1.00 0.00 H new ATOM 867 N ALA A 56 -6.324 12.653 -6.806 1.00 0.00 N ATOM 868 CA ALA A 56 -5.508 13.510 -7.666 1.00 0.00 C ATOM 869 C ALA A 56 -6.312 14.708 -8.151 1.00 0.00 C ATOM 870 O ALA A 56 -7.505 14.590 -8.443 1.00 0.00 O ATOM 871 CB ALA A 56 -4.986 12.711 -8.865 1.00 0.00 C ATOM 0 H ALA A 56 -6.606 11.771 -7.235 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.662 13.874 -7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.380 13.359 -9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.378 11.879 -8.511 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.828 12.326 -9.440 1.00 0.00 H new ATOM 877 N PRO A 57 -5.675 15.857 -8.229 1.00 0.00 N ATOM 878 CA PRO A 57 -6.327 17.116 -8.680 1.00 0.00 C ATOM 879 C PRO A 57 -7.061 16.951 -10.012 1.00 0.00 C ATOM 880 O PRO A 57 -6.746 16.059 -10.804 1.00 0.00 O ATOM 881 CB PRO A 57 -5.183 18.122 -8.830 1.00 0.00 C ATOM 882 CG PRO A 57 -3.912 17.418 -8.496 1.00 0.00 C ATOM 883 CD PRO A 57 -4.261 16.072 -7.881 1.00 0.00 C ATOM 0 HA PRO A 57 -7.085 17.435 -7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.148 18.512 -9.847 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.334 18.974 -8.167 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.307 17.281 -9.392 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.320 18.012 -7.800 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.630 15.278 -8.281 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.116 16.081 -6.801 1.00 0.00 H new ATOM 891 N LYS A 58 -8.030 17.829 -10.240 1.00 0.00 N ATOM 892 CA LYS A 58 -8.821 17.805 -11.472 1.00 0.00 C ATOM 893 C LYS A 58 -8.176 18.690 -12.540 1.00 0.00 C ATOM 894 O LYS A 58 -7.757 19.787 -12.204 1.00 0.00 O ATOM 895 CB LYS A 58 -10.246 18.296 -11.189 1.00 0.00 C ATOM 896 CG LYS A 58 -10.928 17.364 -10.175 1.00 0.00 C ATOM 897 CD LYS A 58 -12.425 17.697 -10.070 1.00 0.00 C ATOM 898 CE LYS A 58 -12.621 19.094 -9.460 1.00 0.00 C ATOM 899 NZ LYS A 58 -12.619 20.119 -10.544 1.00 0.00 N ATOM 900 OXT LYS A 58 -8.111 18.259 -13.680 1.00 0.00 O ATOM 0 H LYS A 58 -8.290 18.569 -9.589 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.858 16.779 -11.839 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.219 19.314 -10.800 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.821 18.324 -12.115 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.800 16.326 -10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.455 17.469 -9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.883 17.657 -11.058 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.928 16.951 -9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.562 19.133 -8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.825 19.305 -8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.804 20.753 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.554 19.647 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.498 20.673 -10.500 1.00 0.00 H new TER 914 LYS A 58