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 26 GLN : amide:sc= -11.9! C(o=-19!,f=-7.2!) USER MOD Set 1.2: A 55 GLN : amide:sc= -6.7! K(o=-19!,f=-7.2) USER MOD Set 2.1: A 21 ASN : amide:sc= -2.56 K(o=-5.4,f=-2.7) USER MOD Set 2.2: A 52 ASN : amide:sc= -2.88! C(o=-5.4!,f=-11!) USER MOD Set 3.1: A 1 VAL N :NH3+ -171:sc= -0.798 (180deg=-1.23) USER MOD Set 3.2: A 3 ASN : amide:sc= 0.189 K(o=-0.61,f=-1.6) USER MOD Single : A 4 LYS NZ :NH3+ -141:sc= 0.743 (180deg=-0.837) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -116:sc= 0.458 (180deg=-0.577) USER MOD Single : A 13 THR OG1 : rot 71:sc= 0.663 USER MOD Single : A 18 ASN : amide:sc= -0.743 K(o=-0.74,f=-2.3) USER MOD Single : A 23 ASN : amide:sc= -3.14! K(o=-3.1!,f=-0.021) USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= -0.0367 (180deg=-0.0605) USER MOD Single : A 33 SER OG : rot 160:sc=-0.00603 USER MOD Single : A 39 SER OG : rot 89:sc=-0.00498 USER MOD Single : A 40 GLN : amide:sc= -0.671 K(o=-0.67,f=-0.15) USER MOD Single : A 41 SER OG : rot -109:sc= 0.68 USER MOD Single : A 43 ASN : amide:sc= -0.044 K(o=-0.044,f=-1.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -118:sc= 0.765 (180deg=-0.0155) USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= -0.151 (180deg=-0.702) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.967 -18.868 -4.528 1.00 0.00 N ATOM 2 CA VAL A 1 5.734 -18.173 -4.051 1.00 0.00 C ATOM 3 C VAL A 1 5.941 -17.702 -2.613 1.00 0.00 C ATOM 4 O VAL A 1 5.430 -16.654 -2.215 1.00 0.00 O ATOM 5 CB VAL A 1 4.527 -19.129 -4.132 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.292 -19.547 -5.590 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.776 -20.383 -3.276 1.00 0.00 C ATOM 0 H1 VAL A 1 6.888 -19.054 -5.548 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.796 -18.266 -4.349 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.077 -19.769 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 1 5.536 -17.309 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 1 3.647 -18.609 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.438 -20.222 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.092 -18.662 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.179 -20.054 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.914 -21.047 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.663 -20.901 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.927 -20.090 -2.237 1.00 0.00 H new ATOM 19 N ASP A 2 6.695 -18.488 -1.843 1.00 0.00 N ATOM 20 CA ASP A 2 6.977 -18.162 -0.445 1.00 0.00 C ATOM 21 C ASP A 2 8.089 -17.117 -0.344 1.00 0.00 C ATOM 22 O ASP A 2 8.431 -16.667 0.751 1.00 0.00 O ATOM 23 CB ASP A 2 7.383 -19.435 0.304 1.00 0.00 C ATOM 24 CG ASP A 2 6.287 -20.491 0.161 1.00 0.00 C ATOM 25 OD1 ASP A 2 5.226 -20.298 0.733 1.00 0.00 O ATOM 26 OD2 ASP A 2 6.522 -21.472 -0.526 1.00 0.00 O ATOM 0 H ASP A 2 7.122 -19.357 -2.165 1.00 0.00 H new ATOM 0 HA ASP A 2 6.077 -17.745 0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.323 -19.817 -0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.550 -19.211 1.358 1.00 0.00 H new ATOM 31 N ASN A 3 8.637 -16.730 -1.501 1.00 0.00 N ATOM 32 CA ASN A 3 9.705 -15.727 -1.560 1.00 0.00 C ATOM 33 C ASN A 3 9.259 -14.433 -0.886 1.00 0.00 C ATOM 34 O ASN A 3 10.074 -13.675 -0.355 1.00 0.00 O ATOM 35 CB ASN A 3 10.070 -15.448 -3.023 1.00 0.00 C ATOM 36 CG ASN A 3 10.470 -16.747 -3.718 1.00 0.00 C ATOM 37 OD1 ASN A 3 9.672 -17.329 -4.453 1.00 0.00 O ATOM 38 ND2 ASN A 3 11.664 -17.238 -3.529 1.00 0.00 N ATOM 0 H ASN A 3 8.358 -17.097 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 3 10.578 -16.113 -1.034 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.222 -14.996 -3.538 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.891 -14.732 -3.072 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.938 -18.105 -3.991 1.00 0.00 H new ATOM 0 HD22 ASN A 3 12.324 -16.754 -2.920 1.00 0.00 H new ATOM 45 N LYS A 4 7.950 -14.210 -0.913 1.00 0.00 N ATOM 46 CA LYS A 4 7.348 -13.026 -0.305 1.00 0.00 C ATOM 47 C LYS A 4 7.564 -13.024 1.210 1.00 0.00 C ATOM 48 O LYS A 4 7.618 -14.081 1.843 1.00 0.00 O ATOM 49 CB LYS A 4 5.846 -12.995 -0.626 1.00 0.00 C ATOM 50 CG LYS A 4 5.149 -14.213 0.001 1.00 0.00 C ATOM 51 CD LYS A 4 3.701 -14.298 -0.497 1.00 0.00 C ATOM 52 CE LYS A 4 2.947 -15.387 0.277 1.00 0.00 C ATOM 53 NZ LYS A 4 3.642 -16.696 0.107 1.00 0.00 N ATOM 0 H LYS A 4 7.279 -14.839 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 4 7.826 -12.137 -0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.403 -12.075 -0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.696 -12.996 -1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.687 -15.125 -0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.165 -14.133 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.205 -13.336 -0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.686 -14.521 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.895 -15.126 1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.921 -15.459 -0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.936 -17.453 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.239 -16.664 -0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.236 -16.884 0.939 1.00 0.00 H new ATOM 67 N PHE A 5 7.694 -11.827 1.771 1.00 0.00 N ATOM 68 CA PHE A 5 7.915 -11.659 3.211 1.00 0.00 C ATOM 69 C PHE A 5 7.318 -10.339 3.686 1.00 0.00 C ATOM 70 O PHE A 5 6.816 -9.559 2.877 1.00 0.00 O ATOM 71 CB PHE A 5 9.424 -11.716 3.542 1.00 0.00 C ATOM 72 CG PHE A 5 10.259 -11.213 2.372 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.903 -10.036 1.700 1.00 0.00 C ATOM 74 CD2 PHE A 5 11.390 -11.931 1.963 1.00 0.00 C ATOM 75 CE1 PHE A 5 10.673 -9.580 0.624 1.00 0.00 C ATOM 76 CE2 PHE A 5 12.159 -11.474 0.886 1.00 0.00 C ATOM 77 CZ PHE A 5 11.800 -10.299 0.217 1.00 0.00 C ATOM 0 H PHE A 5 7.650 -10.951 1.251 1.00 0.00 H new ATOM 0 HA PHE A 5 7.418 -12.477 3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.629 -11.112 4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.709 -12.740 3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.032 -9.479 2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 5 11.669 -12.838 2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.396 -8.672 0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 5 13.030 -12.029 0.571 1.00 0.00 H new ATOM 0 HZ PHE A 5 12.394 -9.948 -0.614 1.00 0.00 H new ATOM 87 N ASN A 6 7.364 -10.083 4.997 1.00 0.00 N ATOM 88 CA ASN A 6 6.809 -8.838 5.520 1.00 0.00 C ATOM 89 C ASN A 6 7.589 -7.642 4.989 1.00 0.00 C ATOM 90 O ASN A 6 7.067 -6.534 4.943 1.00 0.00 O ATOM 91 CB ASN A 6 6.769 -8.824 7.061 1.00 0.00 C ATOM 92 CG ASN A 6 7.991 -8.116 7.640 1.00 0.00 C ATOM 93 OD1 ASN A 6 9.070 -8.700 7.727 1.00 0.00 O ATOM 94 ND2 ASN A 6 7.879 -6.873 8.029 1.00 0.00 N ATOM 0 H ASN A 6 7.769 -10.705 5.697 1.00 0.00 H new ATOM 0 HA ASN A 6 5.779 -8.768 5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.862 -8.323 7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.727 -9.847 7.435 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.689 -6.382 8.407 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.982 -6.394 7.954 1.00 0.00 H new ATOM 101 N LYS A 7 8.832 -7.879 4.565 1.00 0.00 N ATOM 102 CA LYS A 7 9.647 -6.804 4.007 1.00 0.00 C ATOM 103 C LYS A 7 8.903 -6.209 2.819 1.00 0.00 C ATOM 104 O LYS A 7 8.945 -5.007 2.581 1.00 0.00 O ATOM 105 CB LYS A 7 11.012 -7.342 3.562 1.00 0.00 C ATOM 106 CG LYS A 7 11.796 -7.862 4.778 1.00 0.00 C ATOM 107 CD LYS A 7 12.923 -8.802 4.318 1.00 0.00 C ATOM 108 CE LYS A 7 13.916 -8.053 3.416 1.00 0.00 C ATOM 109 NZ LYS A 7 13.578 -8.308 1.986 1.00 0.00 N ATOM 0 H LYS A 7 9.288 -8.791 4.597 1.00 0.00 H new ATOM 0 HA LYS A 7 9.819 -6.038 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.877 -8.144 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.578 -6.554 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.215 -7.024 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.124 -8.391 5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.444 -9.206 5.186 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.500 -9.649 3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.878 -6.984 3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.934 -8.383 3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.359 -8.823 1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.709 -8.877 1.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.430 -7.402 1.497 1.00 0.00 H new ATOM 123 N GLU A 8 8.188 -7.090 2.120 1.00 0.00 N ATOM 124 CA GLU A 8 7.365 -6.719 0.969 1.00 0.00 C ATOM 125 C GLU A 8 6.183 -5.875 1.440 1.00 0.00 C ATOM 126 O GLU A 8 5.772 -4.914 0.793 1.00 0.00 O ATOM 127 CB GLU A 8 6.856 -7.999 0.286 1.00 0.00 C ATOM 128 CG GLU A 8 6.159 -7.662 -1.040 1.00 0.00 C ATOM 129 CD GLU A 8 5.499 -8.916 -1.622 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.211 -9.877 -1.875 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.292 -8.899 -1.805 1.00 0.00 O ATOM 0 H GLU A 8 8.163 -8.086 2.337 1.00 0.00 H new ATOM 0 HA GLU A 8 7.956 -6.138 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.690 -8.677 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.162 -8.519 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.408 -6.888 -0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.883 -7.261 -1.749 1.00 0.00 H new ATOM 138 N LEU A 9 5.660 -6.262 2.590 1.00 0.00 N ATOM 139 CA LEU A 9 4.540 -5.580 3.211 1.00 0.00 C ATOM 140 C LEU A 9 4.999 -4.242 3.797 1.00 0.00 C ATOM 141 O LEU A 9 4.249 -3.263 3.787 1.00 0.00 O ATOM 142 CB LEU A 9 3.868 -6.557 4.208 1.00 0.00 C ATOM 143 CG LEU A 9 4.055 -6.196 5.684 1.00 0.00 C ATOM 144 CD1 LEU A 9 3.087 -5.095 6.057 1.00 0.00 C ATOM 145 CD2 LEU A 9 3.719 -7.423 6.544 1.00 0.00 C ATOM 0 H LEU A 9 6.003 -7.062 3.121 1.00 0.00 H new ATOM 0 HA LEU A 9 3.770 -5.306 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.801 -6.599 3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.267 -7.557 4.040 1.00 0.00 H new ATOM 0 HG LEU A 9 5.083 -5.874 5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.218 -4.836 7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.279 -4.217 5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.065 -5.438 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.849 -7.176 7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.685 -7.720 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.383 -8.246 6.280 1.00 0.00 H new ATOM 157 N GLY A 10 6.264 -4.176 4.219 1.00 0.00 N ATOM 158 CA GLY A 10 6.830 -2.928 4.709 1.00 0.00 C ATOM 159 C GLY A 10 7.136 -2.051 3.508 1.00 0.00 C ATOM 160 O GLY A 10 7.086 -0.822 3.570 1.00 0.00 O ATOM 0 H GLY A 10 6.907 -4.968 4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.129 -2.428 5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.737 -3.120 5.283 1.00 0.00 H new ATOM 164 N TRP A 11 7.458 -2.737 2.408 1.00 0.00 N ATOM 165 CA TRP A 11 7.792 -2.106 1.149 1.00 0.00 C ATOM 166 C TRP A 11 6.611 -1.320 0.597 1.00 0.00 C ATOM 167 O TRP A 11 6.734 -0.150 0.242 1.00 0.00 O ATOM 168 CB TRP A 11 8.179 -3.202 0.149 1.00 0.00 C ATOM 169 CG TRP A 11 8.928 -2.610 -0.977 1.00 0.00 C ATOM 170 CD1 TRP A 11 10.146 -2.072 -0.870 1.00 0.00 C ATOM 171 CD2 TRP A 11 8.540 -2.508 -2.369 1.00 0.00 C ATOM 172 NE1 TRP A 11 10.536 -1.607 -2.113 1.00 0.00 N ATOM 173 CE2 TRP A 11 9.577 -1.866 -3.076 1.00 0.00 C ATOM 174 CE3 TRP A 11 7.394 -2.904 -3.074 1.00 0.00 C ATOM 175 CZ2 TRP A 11 9.483 -1.622 -4.445 1.00 0.00 C ATOM 176 CZ3 TRP A 11 7.293 -2.666 -4.452 1.00 0.00 C ATOM 177 CH2 TRP A 11 8.337 -2.025 -5.137 1.00 0.00 C ATOM 0 H TRP A 11 7.492 -3.756 2.377 1.00 0.00 H new ATOM 0 HA TRP A 11 8.617 -1.412 1.308 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.787 -3.960 0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.284 -3.702 -0.221 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.730 -2.010 0.037 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.420 -1.133 -2.297 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.585 -3.395 -2.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.288 -1.126 -4.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.409 -2.977 -4.988 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.255 -1.843 -6.198 1.00 0.00 H new ATOM 188 N ALA A 12 5.470 -1.986 0.519 1.00 0.00 N ATOM 189 CA ALA A 12 4.263 -1.371 -0.007 1.00 0.00 C ATOM 190 C ALA A 12 3.772 -0.228 0.867 1.00 0.00 C ATOM 191 O ALA A 12 3.174 0.716 0.373 1.00 0.00 O ATOM 192 CB ALA A 12 3.158 -2.409 -0.138 1.00 0.00 C ATOM 0 H ALA A 12 5.355 -2.955 0.814 1.00 0.00 H new ATOM 0 HA ALA A 12 4.515 -0.964 -0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.259 -1.936 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.480 -3.199 -0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.942 -2.837 0.841 1.00 0.00 H new ATOM 198 N THR A 13 4.006 -0.320 2.165 1.00 0.00 N ATOM 199 CA THR A 13 3.534 0.715 3.073 1.00 0.00 C ATOM 200 C THR A 13 4.128 2.045 2.685 1.00 0.00 C ATOM 201 O THR A 13 3.411 3.035 2.555 1.00 0.00 O ATOM 202 CB THR A 13 3.919 0.372 4.523 1.00 0.00 C ATOM 203 OG1 THR A 13 3.317 -0.862 4.892 1.00 0.00 O ATOM 204 CG2 THR A 13 3.455 1.486 5.479 1.00 0.00 C ATOM 0 H THR A 13 4.511 -1.086 2.610 1.00 0.00 H new ATOM 0 HA THR A 13 2.448 0.773 3.005 1.00 0.00 H new ATOM 0 HB THR A 13 5.003 0.285 4.592 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.758 -1.596 4.416 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.735 1.229 6.501 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.929 2.427 5.199 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.372 1.593 5.415 1.00 0.00 H new ATOM 212 N TRP A 14 5.434 2.049 2.475 1.00 0.00 N ATOM 213 CA TRP A 14 6.118 3.256 2.077 1.00 0.00 C ATOM 214 C TRP A 14 5.751 3.627 0.625 1.00 0.00 C ATOM 215 O TRP A 14 5.593 4.808 0.317 1.00 0.00 O ATOM 216 CB TRP A 14 7.625 3.100 2.349 1.00 0.00 C ATOM 217 CG TRP A 14 8.309 2.299 1.300 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.858 1.083 1.502 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.546 2.630 -0.090 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.381 0.631 0.312 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.210 1.548 -0.699 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.234 3.747 -0.878 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.546 1.571 -2.040 1.00 0.00 C ATOM 224 CZ3 TRP A 14 8.571 3.772 -2.228 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.219 2.686 -2.805 1.00 0.00 C ATOM 0 H TRP A 14 6.035 1.231 2.574 1.00 0.00 H new ATOM 0 HA TRP A 14 5.792 4.108 2.674 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.085 4.086 2.407 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.769 2.623 3.319 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.883 0.552 2.442 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.839 -0.273 0.194 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.729 4.593 -0.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 10.057 0.732 -2.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.329 4.636 -2.828 1.00 0.00 H new ATOM 0 HH2 TRP A 14 9.470 2.708 -3.855 1.00 0.00 H new ATOM 236 N GLU A 15 5.584 2.616 -0.262 1.00 0.00 N ATOM 237 CA GLU A 15 5.214 2.870 -1.664 1.00 0.00 C ATOM 238 C GLU A 15 3.897 3.628 -1.750 1.00 0.00 C ATOM 239 O GLU A 15 3.771 4.629 -2.458 1.00 0.00 O ATOM 240 CB GLU A 15 4.972 1.532 -2.358 1.00 0.00 C ATOM 241 CG GLU A 15 6.252 0.721 -2.516 1.00 0.00 C ATOM 242 CD GLU A 15 6.539 0.468 -3.997 1.00 0.00 C ATOM 243 OE1 GLU A 15 5.703 -0.141 -4.648 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.585 0.884 -4.462 1.00 0.00 O ATOM 0 H GLU A 15 5.700 1.630 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 15 6.019 3.444 -2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.247 0.954 -1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.533 1.709 -3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.087 1.255 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.157 -0.229 -1.989 1.00 0.00 H new ATOM 251 N ILE A 16 2.934 3.121 -1.013 1.00 0.00 N ATOM 252 CA ILE A 16 1.599 3.689 -0.947 1.00 0.00 C ATOM 253 C ILE A 16 1.671 5.044 -0.273 1.00 0.00 C ATOM 254 O ILE A 16 1.070 6.013 -0.722 1.00 0.00 O ATOM 255 CB ILE A 16 0.748 2.677 -0.173 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.776 1.377 -0.986 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.706 3.151 0.012 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.128 0.259 -0.189 1.00 0.00 C ATOM 0 H ILE A 16 3.054 2.291 -0.433 1.00 0.00 H new ATOM 0 HA ILE A 16 1.153 3.859 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 16 1.154 2.545 0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.249 1.516 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.805 1.113 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.266 2.398 0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.715 4.090 0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.167 3.301 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.150 -0.663 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.674 0.113 0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.906 0.523 0.033 1.00 0.00 H new ATOM 270 N PHE A 17 2.457 5.103 0.783 1.00 0.00 N ATOM 271 CA PHE A 17 2.662 6.353 1.514 1.00 0.00 C ATOM 272 C PHE A 17 3.340 7.412 0.639 1.00 0.00 C ATOM 273 O PHE A 17 3.252 8.606 0.931 1.00 0.00 O ATOM 274 CB PHE A 17 3.539 6.101 2.744 1.00 0.00 C ATOM 275 CG PHE A 17 2.716 6.024 4.014 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.630 6.894 4.234 1.00 0.00 C ATOM 277 CD2 PHE A 17 3.057 5.077 4.988 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.898 6.801 5.423 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.327 4.992 6.174 1.00 0.00 C ATOM 280 CZ PHE A 17 1.246 5.853 6.394 1.00 0.00 C ATOM 0 H PHE A 17 2.967 4.304 1.160 1.00 0.00 H new ATOM 0 HA PHE A 17 1.681 6.721 1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.092 5.171 2.612 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.275 6.900 2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.364 7.629 3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.889 4.409 4.820 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.061 7.463 5.593 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.596 4.261 6.922 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.680 5.787 7.312 1.00 0.00 H new ATOM 290 N ASN A 18 4.018 6.971 -0.422 1.00 0.00 N ATOM 291 CA ASN A 18 4.714 7.894 -1.319 1.00 0.00 C ATOM 292 C ASN A 18 3.771 8.413 -2.398 1.00 0.00 C ATOM 293 O ASN A 18 4.213 8.956 -3.414 1.00 0.00 O ATOM 294 CB ASN A 18 5.931 7.205 -1.958 1.00 0.00 C ATOM 295 CG ASN A 18 7.074 7.082 -0.947 1.00 0.00 C ATOM 296 OD1 ASN A 18 6.868 7.234 0.260 1.00 0.00 O ATOM 297 ND2 ASN A 18 8.278 6.826 -1.372 1.00 0.00 N ATOM 0 H ASN A 18 4.100 5.987 -0.680 1.00 0.00 H new ATOM 0 HA ASN A 18 5.062 8.744 -0.732 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.648 6.216 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.265 7.775 -2.825 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.048 6.752 -0.708 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.451 6.700 -2.369 1.00 0.00 H new ATOM 304 N LEU A 19 2.468 8.263 -2.160 1.00 0.00 N ATOM 305 CA LEU A 19 1.477 8.736 -3.102 1.00 0.00 C ATOM 306 C LEU A 19 1.178 10.188 -2.815 1.00 0.00 C ATOM 307 O LEU A 19 0.900 10.550 -1.669 1.00 0.00 O ATOM 308 CB LEU A 19 0.205 7.901 -3.011 1.00 0.00 C ATOM 309 CG LEU A 19 0.415 6.535 -3.688 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.924 5.883 -3.985 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.150 6.696 -5.008 1.00 0.00 C ATOM 0 H LEU A 19 2.085 7.819 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 19 1.868 8.638 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.071 7.758 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.620 8.429 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 19 0.999 5.918 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.760 4.918 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.473 5.738 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.502 6.525 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.288 5.718 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.567 7.332 -5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.123 7.153 -4.829 1.00 0.00 H new ATOM 323 N PRO A 20 1.281 11.038 -3.805 1.00 0.00 N ATOM 324 CA PRO A 20 1.072 12.481 -3.603 1.00 0.00 C ATOM 325 C PRO A 20 -0.372 12.921 -3.324 1.00 0.00 C ATOM 326 O PRO A 20 -0.601 14.126 -3.195 1.00 0.00 O ATOM 327 CB PRO A 20 1.594 13.149 -4.888 1.00 0.00 C ATOM 328 CG PRO A 20 2.081 12.059 -5.789 1.00 0.00 C ATOM 329 CD PRO A 20 1.608 10.729 -5.210 1.00 0.00 C ATOM 0 HA PRO A 20 1.599 12.779 -2.697 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.803 13.723 -5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.399 13.847 -4.659 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.693 12.196 -6.798 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.168 12.079 -5.860 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.739 10.349 -5.746 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.384 9.967 -5.279 1.00 0.00 H new ATOM 337 N ASN A 21 -1.354 11.999 -3.256 1.00 0.00 N ATOM 338 CA ASN A 21 -2.728 12.440 -3.024 1.00 0.00 C ATOM 339 C ASN A 21 -3.408 11.659 -1.907 1.00 0.00 C ATOM 340 O ASN A 21 -4.531 11.987 -1.533 1.00 0.00 O ATOM 341 CB ASN A 21 -3.534 12.293 -4.320 1.00 0.00 C ATOM 342 CG ASN A 21 -2.836 13.005 -5.477 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.433 14.160 -5.349 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.668 12.379 -6.608 1.00 0.00 N ATOM 0 H ASN A 21 -1.224 10.992 -3.354 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.691 13.484 -2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.658 11.237 -4.559 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.533 12.707 -4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.203 12.847 -7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.002 11.421 -6.715 1.00 0.00 H new ATOM 351 N LEU A 22 -2.740 10.636 -1.370 1.00 0.00 N ATOM 352 CA LEU A 22 -3.329 9.839 -0.304 1.00 0.00 C ATOM 353 C LEU A 22 -3.486 10.596 1.000 1.00 0.00 C ATOM 354 O LEU A 22 -2.824 11.604 1.255 1.00 0.00 O ATOM 355 CB LEU A 22 -2.457 8.636 0.020 1.00 0.00 C ATOM 356 CG LEU A 22 -2.500 7.578 -1.080 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.726 6.340 -0.605 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.946 7.178 -1.364 1.00 0.00 C ATOM 0 H LEU A 22 -1.804 10.346 -1.654 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.309 9.552 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.428 8.964 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.786 8.194 0.960 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.053 7.982 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.749 5.576 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.692 6.615 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.187 5.949 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.967 6.423 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.396 6.771 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.509 8.054 -1.687 1.00 0.00 H new ATOM 370 N ASN A 23 -4.329 10.013 1.843 1.00 0.00 N ATOM 371 CA ASN A 23 -4.578 10.500 3.180 1.00 0.00 C ATOM 372 C ASN A 23 -4.187 9.376 4.134 1.00 0.00 C ATOM 373 O ASN A 23 -4.288 8.200 3.769 1.00 0.00 O ATOM 374 CB ASN A 23 -6.060 10.852 3.348 1.00 0.00 C ATOM 375 CG ASN A 23 -6.279 11.567 4.676 1.00 0.00 C ATOM 376 OD1 ASN A 23 -5.992 12.757 4.799 1.00 0.00 O ATOM 377 ND2 ASN A 23 -6.763 10.903 5.686 1.00 0.00 N ATOM 0 H ASN A 23 -4.863 9.177 1.607 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.002 11.403 3.384 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.387 11.488 2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.664 9.946 3.310 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.905 11.369 6.582 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.000 9.916 5.581 1.00 0.00 H new ATOM 384 N GLY A 24 -3.730 9.724 5.334 1.00 0.00 N ATOM 385 CA GLY A 24 -3.316 8.719 6.316 1.00 0.00 C ATOM 386 C GLY A 24 -4.356 7.607 6.447 1.00 0.00 C ATOM 387 O GLY A 24 -4.021 6.473 6.785 1.00 0.00 O ATOM 0 H GLY A 24 -3.636 10.689 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.359 8.291 6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.166 9.195 7.285 1.00 0.00 H new ATOM 391 N VAL A 25 -5.615 7.944 6.160 1.00 0.00 N ATOM 392 CA VAL A 25 -6.706 6.979 6.233 1.00 0.00 C ATOM 393 C VAL A 25 -6.627 5.973 5.085 1.00 0.00 C ATOM 394 O VAL A 25 -6.715 4.765 5.309 1.00 0.00 O ATOM 395 CB VAL A 25 -8.048 7.719 6.181 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.197 6.702 6.153 1.00 0.00 C ATOM 397 CG2 VAL A 25 -8.185 8.601 7.430 1.00 0.00 C ATOM 0 H VAL A 25 -5.901 8.881 5.875 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.621 6.432 7.172 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.088 8.337 5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.150 7.230 6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.100 6.067 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.159 6.085 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.137 9.130 7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.146 7.977 8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.369 9.324 7.456 1.00 0.00 H new ATOM 407 N GLN A 26 -6.470 6.480 3.858 1.00 0.00 N ATOM 408 CA GLN A 26 -6.395 5.627 2.682 1.00 0.00 C ATOM 409 C GLN A 26 -5.133 4.795 2.691 1.00 0.00 C ATOM 410 O GLN A 26 -5.175 3.597 2.415 1.00 0.00 O ATOM 411 CB GLN A 26 -6.447 6.498 1.434 1.00 0.00 C ATOM 412 CG GLN A 26 -7.792 7.229 1.406 1.00 0.00 C ATOM 413 CD GLN A 26 -7.981 7.993 0.097 1.00 0.00 C ATOM 414 OE1 GLN A 26 -8.984 8.684 -0.077 1.00 0.00 O ATOM 415 NE2 GLN A 26 -7.085 7.906 -0.844 1.00 0.00 N ATOM 0 H GLN A 26 -6.393 7.478 3.660 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.241 4.940 2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.626 7.215 1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.330 5.886 0.540 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.602 6.510 1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.849 7.922 2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.252 7.334 -0.704 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.216 8.410 -1.721 1.00 0.00 H new ATOM 424 N VAL A 27 -4.017 5.428 3.026 1.00 0.00 N ATOM 425 CA VAL A 27 -2.751 4.720 3.076 1.00 0.00 C ATOM 426 C VAL A 27 -2.845 3.586 4.077 1.00 0.00 C ATOM 427 O VAL A 27 -2.524 2.438 3.762 1.00 0.00 O ATOM 428 CB VAL A 27 -1.621 5.664 3.492 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.298 4.900 3.414 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.583 6.871 2.553 1.00 0.00 C ATOM 0 H VAL A 27 -3.965 6.418 3.264 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.535 4.326 2.083 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.785 6.020 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.520 5.558 3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.333 4.043 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.137 4.554 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.777 7.540 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.412 6.532 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.534 7.402 2.604 1.00 0.00 H new ATOM 440 N LYS A 28 -3.322 3.920 5.274 1.00 0.00 N ATOM 441 CA LYS A 28 -3.491 2.936 6.328 1.00 0.00 C ATOM 442 C LYS A 28 -4.383 1.813 5.826 1.00 0.00 C ATOM 443 O LYS A 28 -4.176 0.665 6.169 1.00 0.00 O ATOM 444 CB LYS A 28 -4.099 3.587 7.580 1.00 0.00 C ATOM 445 CG LYS A 28 -4.108 2.588 8.750 1.00 0.00 C ATOM 446 CD LYS A 28 -2.673 2.355 9.262 1.00 0.00 C ATOM 447 CE LYS A 28 -2.299 0.873 9.126 1.00 0.00 C ATOM 448 NZ LYS A 28 -0.822 0.722 9.251 1.00 0.00 N ATOM 0 H LYS A 28 -3.597 4.867 5.534 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.517 2.529 6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.525 4.472 7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.115 3.919 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.733 2.969 9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.545 1.643 8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.972 2.968 8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.596 2.663 10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.802 0.288 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.635 0.489 8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.562 -0.275 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.351 1.309 8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.521 1.026 10.199 1.00 0.00 H new ATOM 462 N ALA A 29 -5.366 2.172 5.001 1.00 0.00 N ATOM 463 CA ALA A 29 -6.292 1.203 4.437 1.00 0.00 C ATOM 464 C ALA A 29 -5.563 0.213 3.543 1.00 0.00 C ATOM 465 O ALA A 29 -5.863 -0.984 3.555 1.00 0.00 O ATOM 466 CB ALA A 29 -7.351 1.931 3.609 1.00 0.00 C ATOM 0 H ALA A 29 -5.538 3.134 4.710 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.761 0.660 5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.045 1.205 3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.897 2.626 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.867 2.482 2.803 1.00 0.00 H new ATOM 472 N PHE A 30 -4.605 0.715 2.763 1.00 0.00 N ATOM 473 CA PHE A 30 -3.854 -0.127 1.877 1.00 0.00 C ATOM 474 C PHE A 30 -2.896 -0.971 2.685 1.00 0.00 C ATOM 475 O PHE A 30 -2.758 -2.173 2.458 1.00 0.00 O ATOM 476 CB PHE A 30 -3.162 0.746 0.839 1.00 0.00 C ATOM 477 CG PHE A 30 -4.244 1.460 0.054 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.280 0.712 -0.526 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.251 2.857 -0.061 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.303 1.353 -1.210 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.284 3.490 -0.743 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.307 2.736 -1.315 1.00 0.00 C ATOM 0 H PHE A 30 -4.343 1.700 2.738 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.502 -0.817 1.337 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.500 1.465 1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.545 0.139 0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.281 -0.365 -0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.456 3.440 0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.096 0.775 -1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.294 4.566 -0.830 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.108 3.232 -1.843 1.00 0.00 H new ATOM 492 N ILE A 31 -2.291 -0.334 3.674 1.00 0.00 N ATOM 493 CA ILE A 31 -1.393 -1.012 4.587 1.00 0.00 C ATOM 494 C ILE A 31 -2.186 -1.994 5.442 1.00 0.00 C ATOM 495 O ILE A 31 -1.697 -3.072 5.782 1.00 0.00 O ATOM 496 CB ILE A 31 -0.639 0.022 5.413 1.00 0.00 C ATOM 497 CG1 ILE A 31 0.308 0.755 4.462 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.181 -0.646 6.526 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.392 2.216 4.837 1.00 0.00 C ATOM 0 H ILE A 31 -2.409 0.661 3.864 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.649 -1.592 4.041 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.346 0.704 5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.299 0.303 4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.045 0.655 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.708 0.118 7.098 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.486 -1.199 7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.904 -1.331 6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.069 2.729 4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.599 2.666 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.767 2.309 5.856 1.00 0.00 H new ATOM 511 N ASP A 32 -3.434 -1.633 5.756 1.00 0.00 N ATOM 512 CA ASP A 32 -4.289 -2.535 6.526 1.00 0.00 C ATOM 513 C ASP A 32 -4.436 -3.829 5.737 1.00 0.00 C ATOM 514 O ASP A 32 -4.384 -4.927 6.295 1.00 0.00 O ATOM 515 CB ASP A 32 -5.680 -1.919 6.782 1.00 0.00 C ATOM 516 CG ASP A 32 -5.632 -0.853 7.884 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.816 -0.974 8.785 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.429 0.068 7.817 1.00 0.00 O ATOM 0 H ASP A 32 -3.864 -0.746 5.496 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.832 -2.719 7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.057 -1.474 5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.380 -2.705 7.066 1.00 0.00 H new ATOM 523 N SER A 33 -4.581 -3.669 4.419 1.00 0.00 N ATOM 524 CA SER A 33 -4.697 -4.801 3.511 1.00 0.00 C ATOM 525 C SER A 33 -3.365 -5.554 3.431 1.00 0.00 C ATOM 526 O SER A 33 -3.349 -6.770 3.245 1.00 0.00 O ATOM 527 CB SER A 33 -5.121 -4.320 2.125 1.00 0.00 C ATOM 528 OG SER A 33 -5.556 -5.434 1.357 1.00 0.00 O ATOM 0 H SER A 33 -4.620 -2.759 3.960 1.00 0.00 H new ATOM 0 HA SER A 33 -5.458 -5.482 3.892 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.923 -3.587 2.211 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.287 -3.824 1.628 1.00 0.00 H new ATOM 0 HG SER A 33 -6.115 -5.122 0.615 1.00 0.00 H new ATOM 534 N LEU A 34 -2.247 -4.822 3.586 1.00 0.00 N ATOM 535 CA LEU A 34 -0.915 -5.446 3.547 1.00 0.00 C ATOM 536 C LEU A 34 -0.843 -6.519 4.627 1.00 0.00 C ATOM 537 O LEU A 34 -0.365 -7.626 4.403 1.00 0.00 O ATOM 538 CB LEU A 34 0.190 -4.400 3.863 1.00 0.00 C ATOM 539 CG LEU A 34 1.115 -4.079 2.678 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.363 -5.303 1.806 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.485 -2.948 1.868 1.00 0.00 C ATOM 0 H LEU A 34 -2.239 -3.813 3.737 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.759 -5.863 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.284 -3.478 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.795 -4.767 4.692 1.00 0.00 H new ATOM 0 HG LEU A 34 2.088 -3.768 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.021 -5.034 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.831 -6.086 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.414 -5.666 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.127 -2.705 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.493 -3.263 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.370 -2.068 2.500 1.00 0.00 H new ATOM 553 N ARG A 35 -1.336 -6.150 5.802 1.00 0.00 N ATOM 554 CA ARG A 35 -1.356 -7.046 6.957 1.00 0.00 C ATOM 555 C ARG A 35 -2.292 -8.217 6.695 1.00 0.00 C ATOM 556 O ARG A 35 -1.981 -9.366 7.017 1.00 0.00 O ATOM 557 CB ARG A 35 -1.852 -6.280 8.187 1.00 0.00 C ATOM 558 CG ARG A 35 -0.867 -5.156 8.551 1.00 0.00 C ATOM 559 CD ARG A 35 -1.631 -3.965 9.144 1.00 0.00 C ATOM 560 NE ARG A 35 -2.735 -4.428 9.987 1.00 0.00 N ATOM 561 CZ ARG A 35 -3.888 -3.771 10.038 1.00 0.00 C ATOM 562 NH1 ARG A 35 -4.051 -2.809 10.901 1.00 0.00 N ATOM 563 NH2 ARG A 35 -4.855 -4.089 9.226 1.00 0.00 N ATOM 0 H ARG A 35 -1.732 -5.228 5.984 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.347 -7.421 7.130 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.837 -5.859 7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.962 -6.963 9.029 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.133 -5.522 9.269 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.317 -4.841 7.664 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.952 -3.347 9.732 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.018 -3.338 8.341 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.616 -5.272 10.547 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.293 -2.561 11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.936 -2.304 10.941 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.727 -4.843 8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.741 -3.584 9.265 1.00 0.00 H new ATOM 577 N ASP A 36 -3.440 -7.898 6.104 1.00 0.00 N ATOM 578 CA ASP A 36 -4.453 -8.895 5.778 1.00 0.00 C ATOM 579 C ASP A 36 -3.903 -9.891 4.768 1.00 0.00 C ATOM 580 O ASP A 36 -4.169 -11.093 4.844 1.00 0.00 O ATOM 581 CB ASP A 36 -5.688 -8.187 5.206 1.00 0.00 C ATOM 582 CG ASP A 36 -6.293 -7.207 6.226 1.00 0.00 C ATOM 583 OD1 ASP A 36 -6.094 -7.398 7.418 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.944 -6.271 5.795 1.00 0.00 O ATOM 0 H ASP A 36 -3.693 -6.946 5.839 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.732 -9.439 6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.413 -7.648 4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.436 -8.928 4.922 1.00 0.00 H new ATOM 589 N ASP A 37 -3.121 -9.364 3.839 1.00 0.00 N ATOM 590 CA ASP A 37 -2.491 -10.169 2.802 1.00 0.00 C ATOM 591 C ASP A 37 -1.313 -9.408 2.201 1.00 0.00 C ATOM 592 O ASP A 37 -1.480 -8.592 1.289 1.00 0.00 O ATOM 593 CB ASP A 37 -3.507 -10.545 1.710 1.00 0.00 C ATOM 594 CG ASP A 37 -2.987 -11.713 0.858 1.00 0.00 C ATOM 595 OD1 ASP A 37 -1.800 -11.736 0.555 1.00 0.00 O ATOM 596 OD2 ASP A 37 -3.787 -12.565 0.510 1.00 0.00 O ATOM 0 H ASP A 37 -2.905 -8.369 3.782 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.124 -11.092 3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.457 -10.819 2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.699 -9.682 1.073 1.00 0.00 H new ATOM 601 N PRO A 38 -0.130 -9.667 2.701 1.00 0.00 N ATOM 602 CA PRO A 38 1.108 -9.006 2.220 1.00 0.00 C ATOM 603 C PRO A 38 1.511 -9.390 0.798 1.00 0.00 C ATOM 604 O PRO A 38 2.330 -8.709 0.181 1.00 0.00 O ATOM 605 CB PRO A 38 2.176 -9.385 3.249 1.00 0.00 C ATOM 606 CG PRO A 38 1.508 -10.175 4.320 1.00 0.00 C ATOM 607 CD PRO A 38 0.157 -10.623 3.784 1.00 0.00 C ATOM 0 HA PRO A 38 0.963 -7.928 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.969 -9.968 2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.641 -8.491 3.665 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.116 -11.037 4.596 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.383 -9.572 5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.194 -11.647 3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.610 -10.592 4.558 1.00 0.00 H new ATOM 615 N SER A 39 0.923 -10.461 0.276 1.00 0.00 N ATOM 616 CA SER A 39 1.218 -10.905 -1.085 1.00 0.00 C ATOM 617 C SER A 39 0.612 -9.932 -2.097 1.00 0.00 C ATOM 618 O SER A 39 1.030 -9.882 -3.255 1.00 0.00 O ATOM 619 CB SER A 39 0.645 -12.308 -1.320 1.00 0.00 C ATOM 620 OG SER A 39 0.790 -13.084 -0.138 1.00 0.00 O ATOM 0 H SER A 39 0.242 -11.037 0.771 1.00 0.00 H new ATOM 0 HA SER A 39 2.300 -10.933 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.407 -12.241 -1.597 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.163 -12.790 -2.150 1.00 0.00 H new ATOM 0 HG SER A 39 0.002 -12.963 0.431 1.00 0.00 H new ATOM 626 N GLN A 40 -0.395 -9.181 -1.643 1.00 0.00 N ATOM 627 CA GLN A 40 -1.100 -8.224 -2.493 1.00 0.00 C ATOM 628 C GLN A 40 -0.471 -6.846 -2.454 1.00 0.00 C ATOM 629 O GLN A 40 -1.006 -5.935 -3.057 1.00 0.00 O ATOM 630 CB GLN A 40 -2.567 -8.092 -2.042 1.00 0.00 C ATOM 631 CG GLN A 40 -3.159 -9.460 -1.688 1.00 0.00 C ATOM 632 CD GLN A 40 -3.024 -10.437 -2.855 1.00 0.00 C ATOM 633 OE1 GLN A 40 -3.316 -10.089 -4.000 1.00 0.00 O ATOM 634 NE2 GLN A 40 -2.600 -11.650 -2.629 1.00 0.00 N ATOM 0 H GLN A 40 -0.741 -9.220 -0.684 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.038 -8.609 -3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.627 -7.431 -1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.155 -7.632 -2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.652 -9.863 -0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.211 -9.347 -1.424 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.358 -11.937 -1.681 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.510 -12.311 -3.401 1.00 0.00 H new ATOM 643 N SER A 41 0.646 -6.694 -1.746 1.00 0.00 N ATOM 644 CA SER A 41 1.298 -5.399 -1.594 1.00 0.00 C ATOM 645 C SER A 41 1.286 -4.566 -2.877 1.00 0.00 C ATOM 646 O SER A 41 1.048 -3.364 -2.819 1.00 0.00 O ATOM 647 CB SER A 41 2.750 -5.662 -1.172 1.00 0.00 C ATOM 648 OG SER A 41 3.477 -6.187 -2.276 1.00 0.00 O ATOM 0 H SER A 41 1.120 -7.459 -1.266 1.00 0.00 H new ATOM 0 HA SER A 41 0.750 -4.824 -0.848 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.212 -4.738 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.776 -6.364 -0.339 1.00 0.00 H new ATOM 0 HG SER A 41 3.672 -7.134 -2.118 1.00 0.00 H new ATOM 654 N ALA A 42 1.504 -5.203 -4.019 1.00 0.00 N ATOM 655 CA ALA A 42 1.495 -4.499 -5.295 1.00 0.00 C ATOM 656 C ALA A 42 0.084 -4.047 -5.673 1.00 0.00 C ATOM 657 O ALA A 42 -0.106 -3.003 -6.294 1.00 0.00 O ATOM 658 CB ALA A 42 2.042 -5.417 -6.376 1.00 0.00 C ATOM 0 H ALA A 42 1.689 -6.204 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 42 2.120 -3.611 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.037 -4.895 -7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.063 -5.707 -6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.419 -6.308 -6.446 1.00 0.00 H new ATOM 664 N ASN A 43 -0.892 -4.854 -5.288 1.00 0.00 N ATOM 665 CA ASN A 43 -2.290 -4.574 -5.556 1.00 0.00 C ATOM 666 C ASN A 43 -2.762 -3.415 -4.689 1.00 0.00 C ATOM 667 O ASN A 43 -3.509 -2.554 -5.121 1.00 0.00 O ATOM 668 CB ASN A 43 -3.118 -5.820 -5.262 1.00 0.00 C ATOM 669 CG ASN A 43 -4.488 -5.748 -5.937 1.00 0.00 C ATOM 670 OD1 ASN A 43 -4.944 -4.674 -6.337 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.173 -6.843 -6.088 1.00 0.00 N ATOM 0 H ASN A 43 -0.734 -5.724 -4.779 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.412 -4.299 -6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.585 -6.704 -5.610 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.246 -5.929 -4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.088 -6.814 -6.538 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.795 -7.731 -5.757 1.00 0.00 H new ATOM 678 N LEU A 44 -2.281 -3.422 -3.460 1.00 0.00 N ATOM 679 CA LEU A 44 -2.584 -2.400 -2.475 1.00 0.00 C ATOM 680 C LEU A 44 -2.014 -1.117 -2.993 1.00 0.00 C ATOM 681 O LEU A 44 -2.632 -0.062 -2.914 1.00 0.00 O ATOM 682 CB LEU A 44 -1.980 -2.842 -1.135 1.00 0.00 C ATOM 683 CG LEU A 44 -2.408 -4.302 -0.921 1.00 0.00 C ATOM 684 CD1 LEU A 44 -1.947 -4.870 0.399 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.910 -4.412 -1.030 1.00 0.00 C ATOM 0 H LEU A 44 -1.658 -4.151 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.651 -2.254 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.894 -2.755 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.337 -2.210 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.925 -4.891 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.282 -5.903 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.859 -4.836 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.367 -4.282 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.211 -5.449 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.377 -3.784 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.228 -4.083 -2.019 1.00 0.00 H new ATOM 697 N LEU A 45 -0.860 -1.270 -3.617 1.00 0.00 N ATOM 698 CA LEU A 45 -0.193 -0.181 -4.285 1.00 0.00 C ATOM 699 C LEU A 45 -1.093 0.302 -5.403 1.00 0.00 C ATOM 700 O LEU A 45 -1.276 1.490 -5.623 1.00 0.00 O ATOM 701 CB LEU A 45 1.065 -0.714 -4.968 1.00 0.00 C ATOM 702 CG LEU A 45 2.337 -0.170 -4.380 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.244 1.349 -4.160 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.538 -0.949 -3.099 1.00 0.00 C ATOM 0 H LEU A 45 -0.362 -2.159 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 45 0.040 0.603 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.076 -1.802 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.028 -0.465 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 45 3.194 -0.293 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.179 1.713 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.063 1.844 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.424 1.568 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.450 -0.611 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.687 -0.787 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.622 -2.011 -3.329 1.00 0.00 H new ATOM 716 N ALA A 46 -1.624 -0.693 -6.113 1.00 0.00 N ATOM 717 CA ALA A 46 -2.495 -0.471 -7.258 1.00 0.00 C ATOM 718 C ALA A 46 -3.724 0.284 -6.826 1.00 0.00 C ATOM 719 O ALA A 46 -4.126 1.274 -7.436 1.00 0.00 O ATOM 720 CB ALA A 46 -2.924 -1.826 -7.825 1.00 0.00 C ATOM 0 H ALA A 46 -1.459 -1.678 -5.906 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.960 0.105 -8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.577 -1.671 -8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.042 -2.386 -8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.459 -2.388 -7.059 1.00 0.00 H new ATOM 726 N GLU A 47 -4.282 -0.198 -5.736 1.00 0.00 N ATOM 727 CA GLU A 47 -5.438 0.389 -5.137 1.00 0.00 C ATOM 728 C GLU A 47 -5.080 1.752 -4.589 1.00 0.00 C ATOM 729 O GLU A 47 -5.895 2.671 -4.559 1.00 0.00 O ATOM 730 CB GLU A 47 -5.866 -0.515 -4.009 1.00 0.00 C ATOM 731 CG GLU A 47 -6.507 -1.808 -4.547 1.00 0.00 C ATOM 732 CD GLU A 47 -7.631 -1.495 -5.542 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.547 -0.775 -5.173 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.557 -1.982 -6.658 1.00 0.00 O ATOM 0 H GLU A 47 -3.933 -1.020 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.241 0.504 -5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.003 -0.763 -3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.577 0.008 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.747 -2.419 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.904 -2.393 -3.717 1.00 0.00 H new ATOM 741 N ALA A 48 -3.837 1.859 -4.160 1.00 0.00 N ATOM 742 CA ALA A 48 -3.332 3.093 -3.618 1.00 0.00 C ATOM 743 C ALA A 48 -3.217 4.116 -4.721 1.00 0.00 C ATOM 744 O ALA A 48 -3.657 5.253 -4.565 1.00 0.00 O ATOM 745 CB ALA A 48 -1.962 2.867 -3.005 1.00 0.00 C ATOM 0 H ALA A 48 -3.159 1.097 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.017 3.451 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.587 3.805 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.038 2.129 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.276 2.504 -3.771 1.00 0.00 H new ATOM 751 N LYS A 49 -2.660 3.688 -5.858 1.00 0.00 N ATOM 752 CA LYS A 49 -2.539 4.577 -7.004 1.00 0.00 C ATOM 753 C LYS A 49 -3.929 4.972 -7.428 1.00 0.00 C ATOM 754 O LYS A 49 -4.181 6.103 -7.806 1.00 0.00 O ATOM 755 CB LYS A 49 -1.850 3.862 -8.156 1.00 0.00 C ATOM 756 CG LYS A 49 -0.350 3.755 -7.862 1.00 0.00 C ATOM 757 CD LYS A 49 0.113 2.324 -8.110 1.00 0.00 C ATOM 758 CE LYS A 49 1.488 2.111 -7.470 1.00 0.00 C ATOM 759 NZ LYS A 49 2.540 2.709 -8.340 1.00 0.00 N ATOM 0 H LYS A 49 -2.293 2.747 -6.003 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.948 5.452 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.278 2.868 -8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.012 4.407 -9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.206 4.444 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.149 4.040 -6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.607 1.620 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.165 2.128 -9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.515 2.569 -6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.676 1.046 -7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.474 2.564 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.519 2.253 -9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.363 3.728 -8.448 1.00 0.00 H new ATOM 773 N LYS A 50 -4.829 4.002 -7.320 1.00 0.00 N ATOM 774 CA LYS A 50 -6.224 4.204 -7.658 1.00 0.00 C ATOM 775 C LYS A 50 -6.826 5.264 -6.750 1.00 0.00 C ATOM 776 O LYS A 50 -7.542 6.155 -7.211 1.00 0.00 O ATOM 777 CB LYS A 50 -6.972 2.873 -7.516 1.00 0.00 C ATOM 778 CG LYS A 50 -8.414 2.997 -8.022 1.00 0.00 C ATOM 779 CD LYS A 50 -9.223 1.793 -7.521 1.00 0.00 C ATOM 780 CE LYS A 50 -8.921 0.558 -8.379 1.00 0.00 C ATOM 781 NZ LYS A 50 -9.732 -0.592 -7.890 1.00 0.00 N ATOM 0 H LYS A 50 -4.610 3.060 -6.997 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.312 4.550 -8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.451 2.097 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.975 2.563 -6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.860 3.925 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.429 3.034 -9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.978 1.589 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.288 2.020 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.152 0.762 -9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.859 0.317 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.099 -1.348 -7.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.338 -0.280 -7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.327 -0.951 -8.664 1.00 0.00 H new ATOM 795 N LEU A 51 -6.504 5.176 -5.461 1.00 0.00 N ATOM 796 CA LEU A 51 -7.000 6.158 -4.499 1.00 0.00 C ATOM 797 C LEU A 51 -6.314 7.494 -4.722 1.00 0.00 C ATOM 798 O LEU A 51 -6.957 8.539 -4.726 1.00 0.00 O ATOM 799 CB LEU A 51 -6.808 5.669 -3.055 1.00 0.00 C ATOM 800 CG LEU A 51 -8.182 5.290 -2.454 1.00 0.00 C ATOM 801 CD1 LEU A 51 -9.145 6.491 -2.493 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.788 4.121 -3.253 1.00 0.00 C ATOM 0 H LEU A 51 -5.912 4.447 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.071 6.287 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.141 4.807 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.339 6.448 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.037 4.994 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.105 6.202 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.724 7.314 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.289 6.809 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.756 3.854 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.917 4.420 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.120 3.261 -3.202 1.00 0.00 H new ATOM 814 N ASN A 52 -5.004 7.438 -4.938 1.00 0.00 N ATOM 815 CA ASN A 52 -4.220 8.635 -5.207 1.00 0.00 C ATOM 816 C ASN A 52 -4.729 9.314 -6.469 1.00 0.00 C ATOM 817 O ASN A 52 -4.921 10.525 -6.502 1.00 0.00 O ATOM 818 CB ASN A 52 -2.769 8.229 -5.403 1.00 0.00 C ATOM 819 CG ASN A 52 -1.912 9.418 -5.811 1.00 0.00 C ATOM 820 OD1 ASN A 52 -1.437 10.155 -4.960 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.685 9.645 -7.074 1.00 0.00 N ATOM 0 H ASN A 52 -4.463 6.573 -4.932 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.308 9.329 -4.371 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.382 7.799 -4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.706 7.454 -6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.110 10.439 -7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.083 9.028 -7.783 1.00 0.00 H new ATOM 828 N ASP A 53 -4.957 8.499 -7.495 1.00 0.00 N ATOM 829 CA ASP A 53 -5.464 8.973 -8.771 1.00 0.00 C ATOM 830 C ASP A 53 -6.824 9.612 -8.564 1.00 0.00 C ATOM 831 O ASP A 53 -7.139 10.655 -9.141 1.00 0.00 O ATOM 832 CB ASP A 53 -5.563 7.793 -9.757 1.00 0.00 C ATOM 833 CG ASP A 53 -4.170 7.326 -10.219 1.00 0.00 C ATOM 834 OD1 ASP A 53 -3.195 8.024 -9.972 1.00 0.00 O ATOM 835 OD2 ASP A 53 -4.101 6.260 -10.808 1.00 0.00 O ATOM 0 H ASP A 53 -4.794 7.493 -7.461 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.785 9.717 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.087 6.964 -9.282 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.154 8.090 -10.623 1.00 0.00 H new ATOM 840 N ALA A 54 -7.603 8.981 -7.700 1.00 0.00 N ATOM 841 CA ALA A 54 -8.921 9.468 -7.352 1.00 0.00 C ATOM 842 C ALA A 54 -8.800 10.758 -6.547 1.00 0.00 C ATOM 843 O ALA A 54 -9.640 11.653 -6.661 1.00 0.00 O ATOM 844 CB ALA A 54 -9.666 8.410 -6.535 1.00 0.00 C ATOM 0 H ALA A 54 -7.337 8.119 -7.223 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.480 9.671 -8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.657 8.782 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.763 7.498 -7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.109 8.196 -5.623 1.00 0.00 H new ATOM 850 N GLN A 55 -7.734 10.845 -5.738 1.00 0.00 N ATOM 851 CA GLN A 55 -7.490 12.032 -4.918 1.00 0.00 C ATOM 852 C GLN A 55 -6.628 13.044 -5.671 1.00 0.00 C ATOM 853 O GLN A 55 -6.305 14.113 -5.147 1.00 0.00 O ATOM 854 CB GLN A 55 -6.829 11.623 -3.592 1.00 0.00 C ATOM 855 CG GLN A 55 -7.933 11.312 -2.571 1.00 0.00 C ATOM 856 CD GLN A 55 -7.365 11.269 -1.158 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.772 12.049 -0.297 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.446 10.403 -0.869 1.00 0.00 N ATOM 0 H GLN A 55 -7.033 10.111 -5.637 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.444 12.511 -4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.193 10.750 -3.740 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.189 12.425 -3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.714 12.070 -2.631 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.397 10.355 -2.811 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.110 9.758 -1.584 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.058 10.366 0.074 1.00 0.00 H new ATOM 867 N ALA A 56 -6.272 12.697 -6.907 1.00 0.00 N ATOM 868 CA ALA A 56 -5.453 13.570 -7.746 1.00 0.00 C ATOM 869 C ALA A 56 -6.287 14.704 -8.325 1.00 0.00 C ATOM 870 O ALA A 56 -7.519 14.652 -8.315 1.00 0.00 O ATOM 871 CB ALA A 56 -4.807 12.767 -8.881 1.00 0.00 C ATOM 0 H ALA A 56 -6.538 11.817 -7.349 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.669 13.999 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.200 13.431 -9.497 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.175 11.985 -8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.585 12.313 -9.495 1.00 0.00 H new ATOM 877 N PRO A 57 -5.633 15.731 -8.813 1.00 0.00 N ATOM 878 CA PRO A 57 -6.311 16.916 -9.393 1.00 0.00 C ATOM 879 C PRO A 57 -6.864 16.638 -10.788 1.00 0.00 C ATOM 880 O PRO A 57 -6.456 15.682 -11.452 1.00 0.00 O ATOM 881 CB PRO A 57 -5.221 17.995 -9.435 1.00 0.00 C ATOM 882 CG PRO A 57 -3.970 17.382 -8.892 1.00 0.00 C ATOM 883 CD PRO A 57 -4.172 15.878 -8.877 1.00 0.00 C ATOM 0 HA PRO A 57 -7.176 17.215 -8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.066 18.346 -10.455 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.514 18.861 -8.841 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.112 17.648 -9.510 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.766 17.752 -7.887 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.760 15.408 -9.770 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.684 15.416 -8.019 1.00 0.00 H new ATOM 891 N LYS A 58 -7.791 17.489 -11.216 1.00 0.00 N ATOM 892 CA LYS A 58 -8.415 17.356 -12.533 1.00 0.00 C ATOM 893 C LYS A 58 -7.742 18.289 -13.542 1.00 0.00 C ATOM 894 O LYS A 58 -7.495 17.851 -14.654 1.00 0.00 O ATOM 895 CB LYS A 58 -9.909 17.690 -12.437 1.00 0.00 C ATOM 896 CG LYS A 58 -10.599 16.708 -11.478 1.00 0.00 C ATOM 897 CD LYS A 58 -12.126 16.889 -11.540 1.00 0.00 C ATOM 898 CE LYS A 58 -12.528 18.272 -11.006 1.00 0.00 C ATOM 899 NZ LYS A 58 -11.947 18.479 -9.648 1.00 0.00 N ATOM 900 OXT LYS A 58 -7.484 19.429 -13.187 1.00 0.00 O ATOM 0 H LYS A 58 -8.129 18.281 -10.670 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.294 16.327 -12.873 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.041 18.712 -12.083 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.368 17.633 -13.424 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.336 15.684 -11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.247 16.874 -10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.470 16.776 -12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.614 16.111 -10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.177 19.050 -11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.614 18.353 -10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.483 19.218 -9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.999 17.591 -9.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.953 18.773 -9.737 1.00 0.00 H new TER 914 LYS A 58