USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=11 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 39 SER OG : rot -71:sc= 1.42 USER MOD Set 1.2: A 40 GLN : amide:sc= 0.252 K(o=1.9,f=-0.48) USER MOD Set 1.3: A 43 ASN : amide:sc= 0.272 K(o=1.9,f=-0.33) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.478 K(o=-20,f=-13) USER MOD Set 2.2: A 26 GLN : amide:sc= -12.4! C(o=-20!,f=-11!) USER MOD Set 2.3: A 55 GLN : amide:sc= -6.9! C(o=-20!,f=-14!) USER MOD Set 3.1: A 21 ASN : amide:sc= -2.58 K(o=-5.3,f=-2.4) USER MOD Set 3.2: A 52 ASN : amide:sc= -2.75 K(o=-5.3,f=-10!) USER MOD Set 4.1: A 1 VAL N :NH3+ -171:sc= -1.01 (180deg=-1.26) USER MOD Set 4.2: A 3 ASN : amide:sc= 0.0303 K(o=-0.98,f=-2) USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= 1.19 (180deg=0.417) USER MOD Single : A 6 ASN : amide:sc= -0.375 X(o=-0.37,f=-0.27) USER MOD Single : A 7 LYS NZ :NH3+ -107:sc= 0.661 (180deg=-2.54) USER MOD Single : A 13 THR OG1 : rot 98:sc= 0.545 USER MOD Single : A 18 ASN : amide:sc= -1.98 X(o=-2,f=-2) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= 0.925 (180deg=0.77) USER MOD Single : A 33 SER OG : rot 72:sc= 1.1 USER MOD Single : A 41 SER OG : rot 158:sc= 0.75 USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -4.39! (180deg=-5.2!) USER MOD Single : A 50 LYS NZ :NH3+ -115:sc= 0.828 (180deg=-0.152) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 2.26 (180deg=2.18) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 15.871 -17.255 9.381 1.00 0.00 N ATOM 2 CA VAL A 1 15.073 -16.471 10.372 1.00 0.00 C ATOM 3 C VAL A 1 14.797 -15.076 9.814 1.00 0.00 C ATOM 4 O VAL A 1 13.782 -14.459 10.141 1.00 0.00 O ATOM 5 CB VAL A 1 15.839 -16.372 11.705 1.00 0.00 C ATOM 6 CG1 VAL A 1 16.051 -17.775 12.289 1.00 0.00 C ATOM 7 CG2 VAL A 1 17.205 -15.697 11.489 1.00 0.00 C ATOM 0 H1 VAL A 1 15.929 -18.247 9.689 1.00 0.00 H new ATOM 0 H2 VAL A 1 15.411 -17.208 8.450 1.00 0.00 H new ATOM 0 H3 VAL A 1 16.829 -16.856 9.314 1.00 0.00 H new ATOM 0 HA VAL A 1 14.124 -16.976 10.554 1.00 0.00 H new ATOM 0 HB VAL A 1 15.251 -15.772 12.400 1.00 0.00 H new ATOM 0 HG11 VAL A 1 16.593 -17.699 13.232 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.084 -18.246 12.464 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.627 -18.378 11.587 1.00 0.00 H new ATOM 0 HG21 VAL A 1 17.734 -15.634 12.440 1.00 0.00 H new ATOM 0 HG22 VAL A 1 17.794 -16.284 10.784 1.00 0.00 H new ATOM 0 HG23 VAL A 1 17.056 -14.694 11.090 1.00 0.00 H new ATOM 19 N ASP A 2 15.710 -14.590 8.972 1.00 0.00 N ATOM 20 CA ASP A 2 15.576 -13.266 8.362 1.00 0.00 C ATOM 21 C ASP A 2 14.718 -13.334 7.096 1.00 0.00 C ATOM 22 O ASP A 2 14.657 -12.379 6.321 1.00 0.00 O ATOM 23 CB ASP A 2 16.968 -12.718 8.026 1.00 0.00 C ATOM 24 CG ASP A 2 17.834 -12.702 9.285 1.00 0.00 C ATOM 25 OD1 ASP A 2 17.547 -11.912 10.170 1.00 0.00 O ATOM 26 OD2 ASP A 2 18.767 -13.486 9.350 1.00 0.00 O ATOM 0 H ASP A 2 16.552 -15.095 8.696 1.00 0.00 H new ATOM 0 HA ASP A 2 15.082 -12.601 9.070 1.00 0.00 H new ATOM 0 HB2 ASP A 2 17.436 -13.334 7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.884 -11.711 7.618 1.00 0.00 H new ATOM 31 N ASN A 3 14.051 -14.473 6.907 1.00 0.00 N ATOM 32 CA ASN A 3 13.181 -14.685 5.748 1.00 0.00 C ATOM 33 C ASN A 3 11.783 -14.117 6.019 1.00 0.00 C ATOM 34 O ASN A 3 10.811 -14.487 5.354 1.00 0.00 O ATOM 35 CB ASN A 3 13.085 -16.189 5.454 1.00 0.00 C ATOM 36 CG ASN A 3 14.484 -16.790 5.337 1.00 0.00 C ATOM 37 OD1 ASN A 3 14.917 -17.531 6.221 1.00 0.00 O ATOM 38 ND2 ASN A 3 15.220 -16.511 4.298 1.00 0.00 N ATOM 0 H ASN A 3 14.097 -15.267 7.545 1.00 0.00 H new ATOM 0 HA ASN A 3 13.603 -14.169 4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 3 12.531 -16.688 6.249 1.00 0.00 H new ATOM 0 HB3 ASN A 3 12.532 -16.352 4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 3 16.157 -16.906 4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 3 14.859 -15.897 3.567 1.00 0.00 H new ATOM 45 N LYS A 4 11.695 -13.231 7.017 1.00 0.00 N ATOM 46 CA LYS A 4 10.423 -12.620 7.407 1.00 0.00 C ATOM 47 C LYS A 4 9.753 -11.922 6.224 1.00 0.00 C ATOM 48 O LYS A 4 10.358 -11.071 5.565 1.00 0.00 O ATOM 49 CB LYS A 4 10.662 -11.596 8.524 1.00 0.00 C ATOM 50 CG LYS A 4 11.335 -12.278 9.724 1.00 0.00 C ATOM 51 CD LYS A 4 11.500 -11.268 10.868 1.00 0.00 C ATOM 52 CE LYS A 4 12.333 -11.892 11.996 1.00 0.00 C ATOM 53 NZ LYS A 4 13.754 -12.020 11.557 1.00 0.00 N ATOM 0 H LYS A 4 12.494 -12.921 7.570 1.00 0.00 H new ATOM 0 HA LYS A 4 9.764 -13.414 7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.290 -10.784 8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.715 -11.152 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.735 -13.124 10.057 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.308 -12.673 9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.987 -10.365 10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.522 -10.971 11.247 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.273 -11.273 12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.933 -12.872 12.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.376 -12.028 12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.875 -12.906 11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.003 -11.215 10.948 1.00 0.00 H new ATOM 67 N PHE A 5 8.494 -12.286 5.977 1.00 0.00 N ATOM 68 CA PHE A 5 7.712 -11.698 4.886 1.00 0.00 C ATOM 69 C PHE A 5 7.287 -10.272 5.241 1.00 0.00 C ATOM 70 O PHE A 5 6.801 -9.526 4.389 1.00 0.00 O ATOM 71 CB PHE A 5 6.467 -12.561 4.616 1.00 0.00 C ATOM 72 CG PHE A 5 5.503 -12.454 5.784 1.00 0.00 C ATOM 73 CD1 PHE A 5 5.679 -13.255 6.920 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.439 -11.544 5.730 1.00 0.00 C ATOM 75 CE1 PHE A 5 4.793 -13.145 7.999 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.554 -11.434 6.809 1.00 0.00 C ATOM 77 CZ PHE A 5 3.731 -12.234 7.942 1.00 0.00 C ATOM 0 H PHE A 5 7.991 -12.988 6.520 1.00 0.00 H new ATOM 0 HA PHE A 5 8.331 -11.665 3.990 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.978 -12.233 3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.759 -13.601 4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.498 -13.957 6.964 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.301 -10.927 4.855 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.929 -13.762 8.875 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.735 -10.731 6.766 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.048 -12.149 8.774 1.00 0.00 H new ATOM 87 N ASN A 6 7.467 -9.919 6.514 1.00 0.00 N ATOM 88 CA ASN A 6 7.103 -8.596 7.024 1.00 0.00 C ATOM 89 C ASN A 6 7.736 -7.486 6.185 1.00 0.00 C ATOM 90 O ASN A 6 7.190 -6.386 6.081 1.00 0.00 O ATOM 91 CB ASN A 6 7.560 -8.460 8.479 1.00 0.00 C ATOM 92 CG ASN A 6 7.004 -9.611 9.320 1.00 0.00 C ATOM 93 OD1 ASN A 6 7.714 -10.167 10.157 1.00 0.00 O ATOM 94 ND2 ASN A 6 5.772 -10.008 9.144 1.00 0.00 N ATOM 0 H ASN A 6 7.867 -10.539 7.218 1.00 0.00 H new ATOM 0 HA ASN A 6 6.019 -8.496 6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.649 -8.459 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.222 -7.507 8.886 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.400 -10.778 9.700 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.182 -9.548 8.451 1.00 0.00 H new ATOM 101 N LYS A 7 8.891 -7.789 5.592 1.00 0.00 N ATOM 102 CA LYS A 7 9.609 -6.824 4.759 1.00 0.00 C ATOM 103 C LYS A 7 8.726 -6.332 3.618 1.00 0.00 C ATOM 104 O LYS A 7 8.767 -5.159 3.242 1.00 0.00 O ATOM 105 CB LYS A 7 10.871 -7.479 4.187 1.00 0.00 C ATOM 106 CG LYS A 7 11.801 -7.898 5.334 1.00 0.00 C ATOM 107 CD LYS A 7 13.078 -8.529 4.762 1.00 0.00 C ATOM 108 CE LYS A 7 13.924 -9.110 5.901 1.00 0.00 C ATOM 109 NZ LYS A 7 13.153 -10.178 6.601 1.00 0.00 N ATOM 0 H LYS A 7 9.350 -8.696 5.673 1.00 0.00 H new ATOM 0 HA LYS A 7 9.885 -5.969 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.601 -8.349 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.385 -6.783 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.054 -7.031 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.293 -8.609 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.820 -9.314 4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.652 -7.780 4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.854 -9.518 5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.195 -8.323 6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.842 -9.829 7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.322 -10.436 6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.757 -11.015 6.730 1.00 0.00 H new ATOM 123 N GLU A 8 7.924 -7.247 3.084 1.00 0.00 N ATOM 124 CA GLU A 8 7.012 -6.931 1.986 1.00 0.00 C ATOM 125 C GLU A 8 5.956 -5.925 2.430 1.00 0.00 C ATOM 126 O GLU A 8 5.498 -5.097 1.643 1.00 0.00 O ATOM 127 CB GLU A 8 6.341 -8.210 1.462 1.00 0.00 C ATOM 128 CG GLU A 8 5.453 -7.886 0.247 1.00 0.00 C ATOM 129 CD GLU A 8 6.269 -7.201 -0.856 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.249 -7.782 -1.294 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.910 -6.097 -1.233 1.00 0.00 O ATOM 0 H GLU A 8 7.886 -8.218 3.394 1.00 0.00 H new ATOM 0 HA GLU A 8 7.593 -6.484 1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.101 -8.939 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.740 -8.663 2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.009 -8.803 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.632 -7.238 0.553 1.00 0.00 H new ATOM 138 N LEU A 9 5.577 -6.005 3.693 1.00 0.00 N ATOM 139 CA LEU A 9 4.579 -5.090 4.231 1.00 0.00 C ATOM 140 C LEU A 9 5.169 -3.699 4.371 1.00 0.00 C ATOM 141 O LEU A 9 4.471 -2.709 4.184 1.00 0.00 O ATOM 142 CB LEU A 9 4.052 -5.569 5.593 1.00 0.00 C ATOM 143 CG LEU A 9 3.161 -6.805 5.406 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.013 -7.992 4.957 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.465 -7.144 6.730 1.00 0.00 C ATOM 0 H LEU A 9 5.939 -6.685 4.361 1.00 0.00 H new ATOM 0 HA LEU A 9 3.742 -5.064 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.887 -5.809 6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.486 -4.772 6.074 1.00 0.00 H new ATOM 0 HG LEU A 9 2.409 -6.593 4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.377 -8.867 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.501 -7.753 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.769 -8.204 5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.833 -8.022 6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.215 -7.351 7.493 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.851 -6.300 7.045 1.00 0.00 H new ATOM 157 N GLY A 10 6.473 -3.634 4.652 1.00 0.00 N ATOM 158 CA GLY A 10 7.151 -2.355 4.765 1.00 0.00 C ATOM 159 C GLY A 10 7.346 -1.807 3.374 1.00 0.00 C ATOM 160 O GLY A 10 7.394 -0.594 3.154 1.00 0.00 O ATOM 0 H GLY A 10 7.069 -4.448 4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.562 -1.664 5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.112 -2.476 5.265 1.00 0.00 H new ATOM 164 N TRP A 11 7.465 -2.746 2.441 1.00 0.00 N ATOM 165 CA TRP A 11 7.672 -2.422 1.054 1.00 0.00 C ATOM 166 C TRP A 11 6.495 -1.648 0.477 1.00 0.00 C ATOM 167 O TRP A 11 6.661 -0.567 -0.063 1.00 0.00 O ATOM 168 CB TRP A 11 7.822 -3.730 0.276 1.00 0.00 C ATOM 169 CG TRP A 11 8.352 -3.426 -1.064 1.00 0.00 C ATOM 170 CD1 TRP A 11 9.648 -3.277 -1.328 1.00 0.00 C ATOM 171 CD2 TRP A 11 7.633 -3.223 -2.311 1.00 0.00 C ATOM 172 NE1 TRP A 11 9.792 -2.959 -2.669 1.00 0.00 N ATOM 173 CE2 TRP A 11 8.574 -2.932 -3.320 1.00 0.00 C ATOM 174 CE3 TRP A 11 6.271 -3.260 -2.658 1.00 0.00 C ATOM 175 CZ2 TRP A 11 8.180 -2.683 -4.633 1.00 0.00 C ATOM 176 CZ3 TRP A 11 5.870 -3.014 -3.980 1.00 0.00 C ATOM 177 CH2 TRP A 11 6.824 -2.727 -4.967 1.00 0.00 C ATOM 0 H TRP A 11 7.419 -3.746 2.635 1.00 0.00 H new ATOM 0 HA TRP A 11 8.563 -1.800 0.971 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.494 -4.408 0.803 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.859 -4.234 0.196 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.453 -3.386 -0.616 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.687 -2.768 -3.120 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.530 -3.479 -1.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 8.918 -2.457 -5.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.822 -3.046 -4.239 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.511 -2.540 -5.984 1.00 0.00 H new ATOM 188 N ALA A 12 5.302 -2.196 0.592 1.00 0.00 N ATOM 189 CA ALA A 12 4.138 -1.508 0.064 1.00 0.00 C ATOM 190 C ALA A 12 3.764 -0.282 0.887 1.00 0.00 C ATOM 191 O ALA A 12 3.213 0.674 0.362 1.00 0.00 O ATOM 192 CB ALA A 12 2.953 -2.440 -0.030 1.00 0.00 C ATOM 0 H ALA A 12 5.113 -3.095 1.035 1.00 0.00 H new ATOM 0 HA ALA A 12 4.409 -1.168 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.095 -1.899 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.196 -3.272 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.712 -2.823 0.962 1.00 0.00 H new ATOM 198 N THR A 13 4.012 -0.340 2.187 1.00 0.00 N ATOM 199 CA THR A 13 3.611 0.759 3.063 1.00 0.00 C ATOM 200 C THR A 13 4.243 2.061 2.639 1.00 0.00 C ATOM 201 O THR A 13 3.538 3.053 2.497 1.00 0.00 O ATOM 202 CB THR A 13 3.961 0.463 4.530 1.00 0.00 C ATOM 203 OG1 THR A 13 3.231 -0.673 4.963 1.00 0.00 O ATOM 204 CG2 THR A 13 3.596 1.668 5.415 1.00 0.00 C ATOM 0 H THR A 13 4.479 -1.117 2.655 1.00 0.00 H new ATOM 0 HA THR A 13 2.529 0.854 2.976 1.00 0.00 H new ATOM 0 HB THR A 13 5.031 0.272 4.611 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.799 -1.469 4.904 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.848 1.447 6.452 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.154 2.544 5.085 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.527 1.867 5.336 1.00 0.00 H new ATOM 212 N TRP A 14 5.548 2.052 2.408 1.00 0.00 N ATOM 213 CA TRP A 14 6.223 3.260 1.972 1.00 0.00 C ATOM 214 C TRP A 14 5.789 3.601 0.522 1.00 0.00 C ATOM 215 O TRP A 14 5.597 4.773 0.200 1.00 0.00 O ATOM 216 CB TRP A 14 7.758 3.096 2.123 1.00 0.00 C ATOM 217 CG TRP A 14 8.394 3.279 0.797 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.608 4.459 0.175 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.819 2.253 -0.103 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.106 4.203 -1.083 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.258 2.850 -1.295 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.855 0.867 0.005 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.702 2.086 -2.353 1.00 0.00 C ATOM 224 CZ3 TRP A 14 9.307 0.093 -1.056 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.723 0.699 -2.235 1.00 0.00 C ATOM 0 H TRP A 14 6.150 1.235 2.514 1.00 0.00 H new ATOM 0 HA TRP A 14 5.936 4.102 2.601 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.147 3.827 2.832 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.994 2.109 2.521 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.420 5.437 0.593 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.333 4.922 -1.770 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.530 0.390 0.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 10.031 2.560 -3.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 9.335 -0.983 -0.964 1.00 0.00 H new ATOM 0 HH2 TRP A 14 10.063 0.093 -3.062 1.00 0.00 H new ATOM 236 N GLU A 15 5.645 2.572 -0.347 1.00 0.00 N ATOM 237 CA GLU A 15 5.248 2.798 -1.745 1.00 0.00 C ATOM 238 C GLU A 15 3.914 3.529 -1.831 1.00 0.00 C ATOM 239 O GLU A 15 3.764 4.509 -2.562 1.00 0.00 O ATOM 240 CB GLU A 15 5.056 1.433 -2.409 1.00 0.00 C ATOM 241 CG GLU A 15 6.386 0.718 -2.610 1.00 0.00 C ATOM 242 CD GLU A 15 7.057 1.149 -3.920 1.00 0.00 C ATOM 243 OE1 GLU A 15 7.157 2.342 -4.158 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.475 0.277 -4.659 1.00 0.00 O ATOM 0 H GLU A 15 5.797 1.593 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 15 6.020 3.395 -2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.400 0.817 -1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.562 1.562 -3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.048 0.934 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.224 -0.360 -2.619 1.00 0.00 H new ATOM 251 N ILE A 16 2.965 3.035 -1.069 1.00 0.00 N ATOM 252 CA ILE A 16 1.623 3.597 -1.002 1.00 0.00 C ATOM 253 C ILE A 16 1.688 4.964 -0.356 1.00 0.00 C ATOM 254 O ILE A 16 1.089 5.923 -0.827 1.00 0.00 O ATOM 255 CB ILE A 16 0.794 2.590 -0.204 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.809 1.300 -1.032 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.656 3.067 0.047 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.115 0.193 -0.269 1.00 0.00 C ATOM 0 H ILE A 16 3.099 2.221 -0.468 1.00 0.00 H new ATOM 0 HA ILE A 16 1.166 3.750 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 16 1.220 2.451 0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.310 1.464 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.836 1.012 -1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.194 2.310 0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.640 4.001 0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.157 3.226 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.128 -0.721 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.633 0.021 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.917 0.481 -0.069 1.00 0.00 H new ATOM 270 N PHE A 17 2.465 5.039 0.704 1.00 0.00 N ATOM 271 CA PHE A 17 2.664 6.299 1.416 1.00 0.00 C ATOM 272 C PHE A 17 3.339 7.353 0.530 1.00 0.00 C ATOM 273 O PHE A 17 3.270 8.547 0.824 1.00 0.00 O ATOM 274 CB PHE A 17 3.543 6.061 2.646 1.00 0.00 C ATOM 275 CG PHE A 17 2.727 6.035 3.923 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.653 6.926 4.121 1.00 0.00 C ATOM 277 CD2 PHE A 17 3.057 5.112 4.922 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.924 6.878 5.314 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.330 5.072 6.112 1.00 0.00 C ATOM 280 CZ PHE A 17 1.263 5.954 6.311 1.00 0.00 C ATOM 0 H PHE A 17 2.972 4.246 1.097 1.00 0.00 H new ATOM 0 HA PHE A 17 1.681 6.669 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.075 5.116 2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.297 6.846 2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.394 7.642 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.878 4.427 4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.097 7.556 5.467 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.591 4.359 6.880 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.701 5.923 7.233 1.00 0.00 H new ATOM 290 N ASN A 18 3.993 6.905 -0.543 1.00 0.00 N ATOM 291 CA ASN A 18 4.685 7.819 -1.454 1.00 0.00 C ATOM 292 C ASN A 18 3.730 8.358 -2.509 1.00 0.00 C ATOM 293 O ASN A 18 4.160 8.864 -3.552 1.00 0.00 O ATOM 294 CB ASN A 18 5.874 7.107 -2.119 1.00 0.00 C ATOM 295 CG ASN A 18 7.072 7.065 -1.170 1.00 0.00 C ATOM 296 OD1 ASN A 18 8.202 6.867 -1.612 1.00 0.00 O ATOM 297 ND2 ASN A 18 6.896 7.241 0.113 1.00 0.00 N ATOM 0 H ASN A 18 4.058 5.921 -0.802 1.00 0.00 H new ATOM 0 HA ASN A 18 5.061 8.662 -0.875 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.588 6.093 -2.398 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.148 7.625 -3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.695 7.214 0.746 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.959 7.405 0.481 1.00 0.00 H new ATOM 304 N LEU A 19 2.433 8.266 -2.228 1.00 0.00 N ATOM 305 CA LEU A 19 1.430 8.758 -3.147 1.00 0.00 C ATOM 306 C LEU A 19 1.119 10.202 -2.825 1.00 0.00 C ATOM 307 O LEU A 19 0.835 10.535 -1.672 1.00 0.00 O ATOM 308 CB LEU A 19 0.170 7.909 -3.064 1.00 0.00 C ATOM 309 CG LEU A 19 0.398 6.559 -3.762 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.931 5.873 -4.033 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.107 6.757 -5.091 1.00 0.00 C ATOM 0 H LEU A 19 2.060 7.855 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 19 1.814 8.694 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.101 7.747 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.663 8.433 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 19 1.011 5.945 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.753 4.918 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.451 5.702 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.543 6.506 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.259 5.790 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.499 7.390 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.072 7.234 -4.921 1.00 0.00 H new ATOM 323 N PRO A 20 1.213 11.076 -3.798 1.00 0.00 N ATOM 324 CA PRO A 20 0.990 12.511 -3.567 1.00 0.00 C ATOM 325 C PRO A 20 -0.462 12.928 -3.293 1.00 0.00 C ATOM 326 O PRO A 20 -0.710 14.127 -3.141 1.00 0.00 O ATOM 327 CB PRO A 20 1.514 13.213 -4.833 1.00 0.00 C ATOM 328 CG PRO A 20 2.020 12.146 -5.752 1.00 0.00 C ATOM 329 CD PRO A 20 1.548 10.802 -5.208 1.00 0.00 C ATOM 0 HA PRO A 20 1.509 12.795 -2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.721 13.788 -5.311 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.310 13.915 -4.583 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.644 12.302 -6.763 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.108 12.175 -5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.682 10.432 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.326 10.044 -5.292 1.00 0.00 H new ATOM 337 N ASN A 21 -1.432 11.991 -3.250 1.00 0.00 N ATOM 338 CA ASN A 21 -2.813 12.404 -3.021 1.00 0.00 C ATOM 339 C ASN A 21 -3.475 11.603 -1.907 1.00 0.00 C ATOM 340 O ASN A 21 -4.604 11.903 -1.533 1.00 0.00 O ATOM 341 CB ASN A 21 -3.613 12.249 -4.318 1.00 0.00 C ATOM 342 CG ASN A 21 -2.928 12.988 -5.467 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.557 14.152 -5.328 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.740 12.374 -6.602 1.00 0.00 N ATOM 0 H ASN A 21 -1.286 10.988 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.801 13.448 -2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.712 11.192 -4.566 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.621 12.639 -4.178 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.285 12.859 -7.375 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.048 11.408 -6.717 1.00 0.00 H new ATOM 351 N LEU A 22 -2.781 10.596 -1.372 1.00 0.00 N ATOM 352 CA LEU A 22 -3.352 9.782 -0.308 1.00 0.00 C ATOM 353 C LEU A 22 -3.498 10.527 1.002 1.00 0.00 C ATOM 354 O LEU A 22 -2.835 11.534 1.262 1.00 0.00 O ATOM 355 CB LEU A 22 -2.465 8.581 -0.006 1.00 0.00 C ATOM 356 CG LEU A 22 -2.508 7.540 -1.120 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.713 6.302 -0.675 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.948 7.125 -1.386 1.00 0.00 C ATOM 0 H LEU A 22 -1.838 10.331 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.334 9.488 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.438 8.917 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.783 8.122 0.930 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.078 7.965 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.737 5.551 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.680 6.586 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.158 5.890 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.971 6.381 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.377 6.699 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.528 7.997 -1.687 1.00 0.00 H new ATOM 370 N ASN A 23 -4.334 9.937 1.845 1.00 0.00 N ATOM 371 CA ASN A 23 -4.572 10.415 3.190 1.00 0.00 C ATOM 372 C ASN A 23 -4.088 9.326 4.131 1.00 0.00 C ATOM 373 O ASN A 23 -4.115 8.145 3.769 1.00 0.00 O ATOM 374 CB ASN A 23 -6.066 10.645 3.434 1.00 0.00 C ATOM 375 CG ASN A 23 -6.645 11.647 2.442 1.00 0.00 C ATOM 376 OD1 ASN A 23 -5.913 12.375 1.772 1.00 0.00 O ATOM 377 ND2 ASN A 23 -7.937 11.723 2.317 1.00 0.00 N ATOM 0 H ASN A 23 -4.870 9.103 1.606 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.053 11.360 3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.600 9.698 3.350 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.218 11.008 4.450 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.348 12.388 1.662 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.540 11.118 2.874 1.00 0.00 H new ATOM 384 N GLY A 24 -3.664 9.703 5.331 1.00 0.00 N ATOM 385 CA GLY A 24 -3.204 8.719 6.305 1.00 0.00 C ATOM 386 C GLY A 24 -4.244 7.611 6.464 1.00 0.00 C ATOM 387 O GLY A 24 -3.910 6.490 6.836 1.00 0.00 O ATOM 0 H GLY A 24 -3.629 10.671 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.254 8.293 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.027 9.202 7.266 1.00 0.00 H new ATOM 391 N VAL A 25 -5.506 7.942 6.160 1.00 0.00 N ATOM 392 CA VAL A 25 -6.601 6.982 6.253 1.00 0.00 C ATOM 393 C VAL A 25 -6.541 5.971 5.106 1.00 0.00 C ATOM 394 O VAL A 25 -6.636 4.764 5.332 1.00 0.00 O ATOM 395 CB VAL A 25 -7.943 7.726 6.219 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.095 6.717 6.314 1.00 0.00 C ATOM 397 CG2 VAL A 25 -8.016 8.697 7.404 1.00 0.00 C ATOM 0 H VAL A 25 -5.789 8.871 5.847 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.506 6.439 7.194 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.026 8.281 5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.047 7.248 6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.044 6.026 5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.014 6.160 7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.968 9.227 7.382 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.932 8.140 8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.199 9.416 7.336 1.00 0.00 H new ATOM 407 N GLN A 26 -6.394 6.475 3.874 1.00 0.00 N ATOM 408 CA GLN A 26 -6.339 5.619 2.699 1.00 0.00 C ATOM 409 C GLN A 26 -5.082 4.784 2.694 1.00 0.00 C ATOM 410 O GLN A 26 -5.135 3.582 2.435 1.00 0.00 O ATOM 411 CB GLN A 26 -6.409 6.485 1.448 1.00 0.00 C ATOM 412 CG GLN A 26 -7.765 7.193 1.427 1.00 0.00 C ATOM 413 CD GLN A 26 -7.952 7.994 0.141 1.00 0.00 C ATOM 414 OE1 GLN A 26 -8.960 8.681 -0.019 1.00 0.00 O ATOM 415 NE2 GLN A 26 -7.048 7.943 -0.795 1.00 0.00 N ATOM 0 H GLN A 26 -6.312 7.472 3.673 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.188 4.935 2.718 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.600 7.215 1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.287 5.872 0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.564 6.457 1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.844 7.858 2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.211 7.374 -0.665 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.177 8.472 -1.658 1.00 0.00 H new ATOM 424 N VAL A 27 -3.955 5.414 3.008 1.00 0.00 N ATOM 425 CA VAL A 27 -2.698 4.689 3.049 1.00 0.00 C ATOM 426 C VAL A 27 -2.813 3.568 4.061 1.00 0.00 C ATOM 427 O VAL A 27 -2.551 2.420 3.745 1.00 0.00 O ATOM 428 CB VAL A 27 -1.555 5.620 3.462 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.247 4.820 3.451 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.461 6.793 2.482 1.00 0.00 C ATOM 0 H VAL A 27 -3.889 6.407 3.233 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.485 4.289 2.058 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.738 6.016 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.579 5.469 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.322 3.990 4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.066 4.432 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.646 7.452 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.272 6.414 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.399 7.349 2.489 1.00 0.00 H new ATOM 440 N LYS A 28 -3.258 3.934 5.257 1.00 0.00 N ATOM 441 CA LYS A 28 -3.455 2.993 6.357 1.00 0.00 C ATOM 442 C LYS A 28 -4.358 1.866 5.907 1.00 0.00 C ATOM 443 O LYS A 28 -4.158 0.724 6.291 1.00 0.00 O ATOM 444 CB LYS A 28 -4.072 3.722 7.563 1.00 0.00 C ATOM 445 CG LYS A 28 -4.337 2.749 8.727 1.00 0.00 C ATOM 446 CD LYS A 28 -3.010 2.241 9.312 1.00 0.00 C ATOM 447 CE LYS A 28 -3.233 1.682 10.725 1.00 0.00 C ATOM 448 NZ LYS A 28 -4.488 0.875 10.765 1.00 0.00 N ATOM 0 H LYS A 28 -3.494 4.898 5.494 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.492 2.577 6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.401 4.515 7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.006 4.199 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.916 3.249 9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.934 1.907 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.593 1.467 8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.284 3.053 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.384 1.064 11.018 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.294 2.500 11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.495 0.287 11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.310 1.512 10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.534 0.263 9.925 1.00 0.00 H new ATOM 462 N ALA A 29 -5.329 2.194 5.065 1.00 0.00 N ATOM 463 CA ALA A 29 -6.234 1.193 4.538 1.00 0.00 C ATOM 464 C ALA A 29 -5.445 0.201 3.700 1.00 0.00 C ATOM 465 O ALA A 29 -5.644 -1.009 3.801 1.00 0.00 O ATOM 466 CB ALA A 29 -7.298 1.862 3.679 1.00 0.00 C ATOM 0 H ALA A 29 -5.506 3.143 4.736 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.721 0.670 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.976 1.105 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.860 2.573 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.821 2.387 2.852 1.00 0.00 H new ATOM 472 N PHE A 30 -4.523 0.728 2.889 1.00 0.00 N ATOM 473 CA PHE A 30 -3.694 -0.098 2.070 1.00 0.00 C ATOM 474 C PHE A 30 -2.663 -0.781 2.953 1.00 0.00 C ATOM 475 O PHE A 30 -2.362 -1.958 2.763 1.00 0.00 O ATOM 476 CB PHE A 30 -3.071 0.749 0.969 1.00 0.00 C ATOM 477 CG PHE A 30 -4.189 1.396 0.173 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.223 0.601 -0.346 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.215 2.783 -0.027 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.265 1.189 -1.052 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.261 3.364 -0.732 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.286 2.567 -1.243 1.00 0.00 C ATOM 0 H PHE A 30 -4.347 1.729 2.797 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.273 -0.880 1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.421 1.511 1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.451 0.131 0.319 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.208 -0.468 -0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.421 3.400 0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.059 0.576 -1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.281 4.433 -0.885 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.099 3.022 -1.789 1.00 0.00 H new ATOM 492 N ILE A 31 -2.176 -0.045 3.964 1.00 0.00 N ATOM 493 CA ILE A 31 -1.233 -0.610 4.918 1.00 0.00 C ATOM 494 C ILE A 31 -1.947 -1.753 5.650 1.00 0.00 C ATOM 495 O ILE A 31 -1.338 -2.767 5.995 1.00 0.00 O ATOM 496 CB ILE A 31 -0.736 0.430 5.962 1.00 0.00 C ATOM 497 CG1 ILE A 31 -0.235 1.765 5.330 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.423 -0.182 6.753 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.338 1.574 3.931 1.00 0.00 C ATOM 0 H ILE A 31 -2.421 0.930 4.134 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.355 -0.955 4.372 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.592 0.670 6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.062 2.474 5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.527 2.204 5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.781 0.538 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.080 -1.082 7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.234 -0.438 6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.671 2.535 3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.183 0.887 3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.430 1.162 3.276 1.00 0.00 H new ATOM 511 N ASP A 32 -3.260 -1.573 5.870 1.00 0.00 N ATOM 512 CA ASP A 32 -4.071 -2.588 6.539 1.00 0.00 C ATOM 513 C ASP A 32 -4.238 -3.804 5.638 1.00 0.00 C ATOM 514 O ASP A 32 -4.153 -4.945 6.095 1.00 0.00 O ATOM 515 CB ASP A 32 -5.449 -2.009 6.920 1.00 0.00 C ATOM 516 CG ASP A 32 -5.328 -0.993 8.067 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.274 -0.921 8.687 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.298 -0.297 8.311 1.00 0.00 O ATOM 0 H ASP A 32 -3.775 -0.737 5.594 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.561 -2.897 7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.897 -1.528 6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.117 -2.818 7.216 1.00 0.00 H new ATOM 523 N SER A 33 -4.452 -3.539 4.349 1.00 0.00 N ATOM 524 CA SER A 33 -4.610 -4.602 3.361 1.00 0.00 C ATOM 525 C SER A 33 -3.334 -5.438 3.280 1.00 0.00 C ATOM 526 O SER A 33 -3.382 -6.638 3.003 1.00 0.00 O ATOM 527 CB SER A 33 -4.931 -3.999 1.996 1.00 0.00 C ATOM 528 OG SER A 33 -6.058 -3.140 2.110 1.00 0.00 O ATOM 0 H SER A 33 -4.520 -2.596 3.966 1.00 0.00 H new ATOM 0 HA SER A 33 -5.433 -5.249 3.665 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.072 -3.442 1.622 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.136 -4.791 1.276 1.00 0.00 H new ATOM 0 HG SER A 33 -5.802 -2.326 2.592 1.00 0.00 H new ATOM 534 N LEU A 34 -2.194 -4.785 3.528 1.00 0.00 N ATOM 535 CA LEU A 34 -0.891 -5.458 3.494 1.00 0.00 C ATOM 536 C LEU A 34 -0.878 -6.614 4.491 1.00 0.00 C ATOM 537 O LEU A 34 -0.460 -7.727 4.174 1.00 0.00 O ATOM 538 CB LEU A 34 0.223 -4.462 3.896 1.00 0.00 C ATOM 539 CG LEU A 34 1.192 -4.169 2.750 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.596 -5.462 2.032 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.513 -3.190 1.797 1.00 0.00 C ATOM 0 H LEU A 34 -2.147 -3.792 3.754 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.719 -5.830 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.232 -3.529 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.779 -4.866 4.742 1.00 0.00 H new ATOM 0 HG LEU A 34 2.110 -3.726 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.285 -5.228 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.082 -6.134 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.708 -5.945 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.184 -2.964 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.404 -3.635 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.272 -2.270 2.331 1.00 0.00 H new ATOM 553 N ARG A 35 -1.351 -6.317 5.696 1.00 0.00 N ATOM 554 CA ARG A 35 -1.422 -7.303 6.772 1.00 0.00 C ATOM 555 C ARG A 35 -2.420 -8.393 6.412 1.00 0.00 C ATOM 556 O ARG A 35 -2.194 -9.578 6.663 1.00 0.00 O ATOM 557 CB ARG A 35 -1.887 -6.620 8.061 1.00 0.00 C ATOM 558 CG ARG A 35 -0.867 -5.559 8.508 1.00 0.00 C ATOM 559 CD ARG A 35 -1.595 -4.367 9.147 1.00 0.00 C ATOM 560 NE ARG A 35 -2.787 -4.815 9.870 1.00 0.00 N ATOM 561 CZ ARG A 35 -3.943 -4.167 9.767 1.00 0.00 C ATOM 562 NH1 ARG A 35 -4.183 -3.137 10.527 1.00 0.00 N ATOM 563 NH2 ARG A 35 -4.838 -4.563 8.906 1.00 0.00 N ATOM 0 H ARG A 35 -1.695 -5.392 5.955 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.434 -7.741 6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.859 -6.154 7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.015 -7.364 8.848 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.167 -5.993 9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.282 -5.222 7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.923 -3.848 9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.879 -3.652 8.375 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.729 -5.641 10.465 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.484 -2.827 11.202 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.070 -2.640 10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.651 -5.370 8.311 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.725 -4.066 8.827 1.00 0.00 H new ATOM 577 N ASP A 36 -3.526 -7.956 5.820 1.00 0.00 N ATOM 578 CA ASP A 36 -4.598 -8.849 5.404 1.00 0.00 C ATOM 579 C ASP A 36 -4.109 -9.788 4.311 1.00 0.00 C ATOM 580 O ASP A 36 -4.567 -10.927 4.198 1.00 0.00 O ATOM 581 CB ASP A 36 -5.778 -8.010 4.894 1.00 0.00 C ATOM 582 CG ASP A 36 -6.289 -7.052 5.985 1.00 0.00 C ATOM 583 OD1 ASP A 36 -6.130 -7.356 7.160 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.832 -6.020 5.626 1.00 0.00 O ATOM 0 H ASP A 36 -3.703 -6.973 5.616 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.919 -9.452 6.253 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.470 -7.438 4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.586 -8.669 4.576 1.00 0.00 H new ATOM 589 N ASP A 37 -3.161 -9.293 3.525 1.00 0.00 N ATOM 590 CA ASP A 37 -2.571 -10.059 2.441 1.00 0.00 C ATOM 591 C ASP A 37 -1.298 -9.374 1.954 1.00 0.00 C ATOM 592 O ASP A 37 -1.354 -8.346 1.273 1.00 0.00 O ATOM 593 CB ASP A 37 -3.558 -10.228 1.278 1.00 0.00 C ATOM 594 CG ASP A 37 -3.178 -11.443 0.423 1.00 0.00 C ATOM 595 OD1 ASP A 37 -1.992 -11.706 0.276 1.00 0.00 O ATOM 596 OD2 ASP A 37 -4.080 -12.089 -0.084 1.00 0.00 O ATOM 0 H ASP A 37 -2.782 -8.351 3.623 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.325 -11.051 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.569 -10.351 1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.561 -9.329 0.662 1.00 0.00 H new ATOM 601 N PRO A 38 -0.158 -9.918 2.303 1.00 0.00 N ATOM 602 CA PRO A 38 1.160 -9.353 1.911 1.00 0.00 C ATOM 603 C PRO A 38 1.495 -9.559 0.435 1.00 0.00 C ATOM 604 O PRO A 38 2.285 -8.801 -0.134 1.00 0.00 O ATOM 605 CB PRO A 38 2.162 -10.072 2.822 1.00 0.00 C ATOM 606 CG PRO A 38 1.382 -10.980 3.716 1.00 0.00 C ATOM 607 CD PRO A 38 0.005 -11.139 3.107 1.00 0.00 C ATOM 0 HA PRO A 38 1.175 -8.270 2.030 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.880 -10.640 2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.732 -9.352 3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.876 -11.947 3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.312 -10.563 4.721 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.061 -12.036 2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.766 -11.221 3.873 1.00 0.00 H new ATOM 615 N SER A 39 0.892 -10.574 -0.184 1.00 0.00 N ATOM 616 CA SER A 39 1.141 -10.851 -1.600 1.00 0.00 C ATOM 617 C SER A 39 0.480 -9.783 -2.466 1.00 0.00 C ATOM 618 O SER A 39 0.841 -9.599 -3.630 1.00 0.00 O ATOM 619 CB SER A 39 0.596 -12.236 -1.977 1.00 0.00 C ATOM 620 OG SER A 39 -0.820 -12.176 -2.114 1.00 0.00 O ATOM 0 H SER A 39 0.235 -11.212 0.266 1.00 0.00 H new ATOM 0 HA SER A 39 2.217 -10.837 -1.773 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.047 -12.573 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.866 -12.964 -1.212 1.00 0.00 H new ATOM 0 HG SER A 39 -1.230 -12.071 -1.230 1.00 0.00 H new ATOM 626 N GLN A 40 -0.498 -9.099 -1.880 1.00 0.00 N ATOM 627 CA GLN A 40 -1.239 -8.060 -2.581 1.00 0.00 C ATOM 628 C GLN A 40 -0.543 -6.722 -2.532 1.00 0.00 C ATOM 629 O GLN A 40 -1.024 -5.791 -3.143 1.00 0.00 O ATOM 630 CB GLN A 40 -2.635 -7.900 -1.963 1.00 0.00 C ATOM 631 CG GLN A 40 -3.384 -9.231 -1.996 1.00 0.00 C ATOM 632 CD GLN A 40 -3.603 -9.691 -3.435 1.00 0.00 C ATOM 633 OE1 GLN A 40 -4.173 -8.959 -4.246 1.00 0.00 O ATOM 634 NE2 GLN A 40 -3.176 -10.866 -3.804 1.00 0.00 N ATOM 0 H GLN A 40 -0.796 -9.248 -0.916 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.308 -8.375 -3.622 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.547 -7.550 -0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.198 -7.144 -2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.819 -9.986 -1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.345 -9.126 -1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.704 -11.471 -3.132 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.314 -11.180 -4.765 1.00 0.00 H new ATOM 643 N SER A 41 0.570 -6.621 -1.814 1.00 0.00 N ATOM 644 CA SER A 41 1.269 -5.351 -1.662 1.00 0.00 C ATOM 645 C SER A 41 1.277 -4.527 -2.949 1.00 0.00 C ATOM 646 O SER A 41 1.032 -3.326 -2.899 1.00 0.00 O ATOM 647 CB SER A 41 2.712 -5.648 -1.239 1.00 0.00 C ATOM 648 OG SER A 41 3.330 -6.458 -2.230 1.00 0.00 O ATOM 0 H SER A 41 1.007 -7.404 -1.328 1.00 0.00 H new ATOM 0 HA SER A 41 0.745 -4.761 -0.910 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.266 -4.718 -1.114 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.724 -6.158 -0.276 1.00 0.00 H new ATOM 0 HG SER A 41 4.304 -6.367 -2.166 1.00 0.00 H new ATOM 654 N ALA A 42 1.498 -5.168 -4.087 1.00 0.00 N ATOM 655 CA ALA A 42 1.490 -4.470 -5.364 1.00 0.00 C ATOM 656 C ALA A 42 0.074 -4.024 -5.743 1.00 0.00 C ATOM 657 O ALA A 42 -0.123 -2.969 -6.347 1.00 0.00 O ATOM 658 CB ALA A 42 2.035 -5.394 -6.440 1.00 0.00 C ATOM 0 H ALA A 42 1.685 -6.169 -4.152 1.00 0.00 H new ATOM 0 HA ALA A 42 2.115 -3.581 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.032 -4.877 -7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.055 -5.684 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.410 -6.285 -6.506 1.00 0.00 H new ATOM 664 N ASN A 43 -0.900 -4.842 -5.369 1.00 0.00 N ATOM 665 CA ASN A 43 -2.300 -4.565 -5.627 1.00 0.00 C ATOM 666 C ASN A 43 -2.769 -3.423 -4.736 1.00 0.00 C ATOM 667 O ASN A 43 -3.517 -2.555 -5.149 1.00 0.00 O ATOM 668 CB ASN A 43 -3.126 -5.818 -5.355 1.00 0.00 C ATOM 669 CG ASN A 43 -4.502 -5.730 -6.012 1.00 0.00 C ATOM 670 OD1 ASN A 43 -4.939 -4.659 -6.436 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.213 -6.813 -6.121 1.00 0.00 N ATOM 0 H ASN A 43 -0.737 -5.720 -4.876 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.428 -4.274 -6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.597 -6.694 -5.731 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.242 -5.953 -4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.134 -6.777 -6.558 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.850 -7.699 -5.770 1.00 0.00 H new ATOM 678 N LEU A 44 -2.281 -3.447 -3.507 1.00 0.00 N ATOM 679 CA LEU A 44 -2.581 -2.435 -2.512 1.00 0.00 C ATOM 680 C LEU A 44 -2.013 -1.148 -3.025 1.00 0.00 C ATOM 681 O LEU A 44 -2.630 -0.095 -2.936 1.00 0.00 O ATOM 682 CB LEU A 44 -1.975 -2.874 -1.170 1.00 0.00 C ATOM 683 CG LEU A 44 -2.416 -4.323 -0.933 1.00 0.00 C ATOM 684 CD1 LEU A 44 -1.965 -4.862 0.398 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.917 -4.429 -1.046 1.00 0.00 C ATOM 0 H LEU A 44 -1.657 -4.180 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.649 -2.300 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.888 -2.801 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.319 -2.229 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.938 -4.930 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.307 -5.891 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.877 -4.833 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.384 -4.252 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.223 -5.461 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.384 -3.785 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.230 -4.117 -2.042 1.00 0.00 H new ATOM 697 N LEU A 45 -0.857 -1.296 -3.656 1.00 0.00 N ATOM 698 CA LEU A 45 -0.196 -0.196 -4.319 1.00 0.00 C ATOM 699 C LEU A 45 -1.104 0.294 -5.422 1.00 0.00 C ATOM 700 O LEU A 45 -1.280 1.482 -5.631 1.00 0.00 O ATOM 701 CB LEU A 45 1.074 -0.701 -5.009 1.00 0.00 C ATOM 702 CG LEU A 45 2.336 -0.163 -4.389 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.235 1.354 -4.157 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.516 -0.960 -3.113 1.00 0.00 C ATOM 0 H LEU A 45 -0.357 -2.183 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 45 0.036 0.580 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.093 -1.790 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.045 -0.420 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 45 3.207 -0.277 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.160 1.716 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.073 1.858 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.401 1.565 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.418 -0.627 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.653 -0.809 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.607 -2.019 -3.355 1.00 0.00 H new ATOM 716 N ALA A 46 -1.656 -0.689 -6.128 1.00 0.00 N ATOM 717 CA ALA A 46 -2.544 -0.448 -7.253 1.00 0.00 C ATOM 718 C ALA A 46 -3.769 0.297 -6.788 1.00 0.00 C ATOM 719 O ALA A 46 -4.180 1.298 -7.374 1.00 0.00 O ATOM 720 CB ALA A 46 -2.981 -1.790 -7.840 1.00 0.00 C ATOM 0 H ALA A 46 -1.497 -1.677 -5.932 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.020 0.143 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.648 -1.618 -8.685 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.104 -2.343 -8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.503 -2.368 -7.078 1.00 0.00 H new ATOM 726 N GLU A 47 -4.311 -0.203 -5.695 1.00 0.00 N ATOM 727 CA GLU A 47 -5.457 0.378 -5.069 1.00 0.00 C ATOM 728 C GLU A 47 -5.087 1.747 -4.544 1.00 0.00 C ATOM 729 O GLU A 47 -5.898 2.668 -4.507 1.00 0.00 O ATOM 730 CB GLU A 47 -5.850 -0.518 -3.920 1.00 0.00 C ATOM 731 CG GLU A 47 -6.514 -1.812 -4.419 1.00 0.00 C ATOM 732 CD GLU A 47 -7.677 -1.504 -5.368 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.574 -0.775 -4.971 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.653 -2.001 -6.482 1.00 0.00 O ATOM 0 H GLU A 47 -3.956 -1.033 -5.220 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.283 0.478 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.967 -0.764 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.536 0.014 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.776 -2.429 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.877 -2.389 -3.569 1.00 0.00 H new ATOM 741 N ALA A 48 -3.831 1.856 -4.150 1.00 0.00 N ATOM 742 CA ALA A 48 -3.303 3.095 -3.642 1.00 0.00 C ATOM 743 C ALA A 48 -3.206 4.093 -4.772 1.00 0.00 C ATOM 744 O ALA A 48 -3.615 5.242 -4.631 1.00 0.00 O ATOM 745 CB ALA A 48 -1.916 2.869 -3.059 1.00 0.00 C ATOM 0 H ALA A 48 -3.158 1.090 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.964 3.474 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.524 3.812 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.976 2.145 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.253 2.488 -3.835 1.00 0.00 H new ATOM 751 N LYS A 49 -2.693 3.622 -5.913 1.00 0.00 N ATOM 752 CA LYS A 49 -2.578 4.470 -7.088 1.00 0.00 C ATOM 753 C LYS A 49 -3.975 4.901 -7.465 1.00 0.00 C ATOM 754 O LYS A 49 -4.211 6.031 -7.862 1.00 0.00 O ATOM 755 CB LYS A 49 -1.987 3.700 -8.282 1.00 0.00 C ATOM 756 CG LYS A 49 -0.588 3.119 -7.996 1.00 0.00 C ATOM 757 CD LYS A 49 0.202 3.996 -7.021 1.00 0.00 C ATOM 758 CE LYS A 49 1.651 3.490 -6.897 1.00 0.00 C ATOM 759 NZ LYS A 49 1.695 2.004 -7.048 1.00 0.00 N ATOM 0 H LYS A 49 -2.356 2.668 -6.041 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.924 5.311 -6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.662 2.888 -8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.928 4.366 -9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.688 2.115 -7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.035 3.025 -8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.199 5.029 -7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.278 3.987 -6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.274 3.959 -7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.062 3.777 -5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.620 1.650 -6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.944 1.574 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.551 1.752 -8.047 1.00 0.00 H new ATOM 773 N LYS A 50 -4.897 3.954 -7.304 1.00 0.00 N ATOM 774 CA LYS A 50 -6.300 4.170 -7.598 1.00 0.00 C ATOM 775 C LYS A 50 -6.876 5.229 -6.677 1.00 0.00 C ATOM 776 O LYS A 50 -7.601 6.122 -7.120 1.00 0.00 O ATOM 777 CB LYS A 50 -7.051 2.841 -7.438 1.00 0.00 C ATOM 778 CG LYS A 50 -8.509 2.972 -7.891 1.00 0.00 C ATOM 779 CD LYS A 50 -9.305 1.769 -7.364 1.00 0.00 C ATOM 780 CE LYS A 50 -9.024 0.531 -8.224 1.00 0.00 C ATOM 781 NZ LYS A 50 -9.826 -0.617 -7.715 1.00 0.00 N ATOM 0 H LYS A 50 -4.685 3.016 -6.965 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.411 4.525 -8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.554 2.066 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.018 2.525 -6.395 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.938 3.901 -7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.563 3.012 -8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.034 1.570 -6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.371 1.995 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.277 0.733 -9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.962 0.288 -8.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.187 -1.352 -7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.452 -0.292 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.400 -1.010 -8.488 1.00 0.00 H new ATOM 795 N LEU A 51 -6.529 5.136 -5.396 1.00 0.00 N ATOM 796 CA LEU A 51 -7.008 6.112 -4.424 1.00 0.00 C ATOM 797 C LEU A 51 -6.329 7.449 -4.666 1.00 0.00 C ATOM 798 O LEU A 51 -6.973 8.496 -4.643 1.00 0.00 O ATOM 799 CB LEU A 51 -6.778 5.623 -2.984 1.00 0.00 C ATOM 800 CG LEU A 51 -8.127 5.205 -2.359 1.00 0.00 C ATOM 801 CD1 LEU A 51 -9.105 6.395 -2.335 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.743 4.054 -3.175 1.00 0.00 C ATOM 0 H LEU A 51 -5.928 4.407 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.083 6.236 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.087 4.780 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.319 6.413 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.947 4.876 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.050 6.081 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.678 7.205 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.280 6.742 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.695 3.762 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.907 4.383 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.064 3.201 -3.171 1.00 0.00 H new ATOM 814 N ASN A 52 -5.028 7.394 -4.929 1.00 0.00 N ATOM 815 CA ASN A 52 -4.256 8.594 -5.223 1.00 0.00 C ATOM 816 C ASN A 52 -4.792 9.258 -6.481 1.00 0.00 C ATOM 817 O ASN A 52 -4.993 10.466 -6.518 1.00 0.00 O ATOM 818 CB ASN A 52 -2.805 8.202 -5.441 1.00 0.00 C ATOM 819 CG ASN A 52 -1.967 9.404 -5.852 1.00 0.00 C ATOM 820 OD1 ASN A 52 -1.498 10.149 -5.002 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.750 9.635 -7.117 1.00 0.00 N ATOM 0 H ASN A 52 -4.486 6.530 -4.944 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.335 9.292 -4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.401 7.769 -4.526 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.745 7.433 -6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.188 10.438 -7.400 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.142 9.013 -7.824 1.00 0.00 H new ATOM 828 N ASP A 53 -5.031 8.435 -7.500 1.00 0.00 N ATOM 829 CA ASP A 53 -5.563 8.904 -8.769 1.00 0.00 C ATOM 830 C ASP A 53 -6.924 9.533 -8.543 1.00 0.00 C ATOM 831 O ASP A 53 -7.257 10.570 -9.121 1.00 0.00 O ATOM 832 CB ASP A 53 -5.668 7.726 -9.755 1.00 0.00 C ATOM 833 CG ASP A 53 -4.282 7.279 -10.254 1.00 0.00 C ATOM 834 OD1 ASP A 53 -3.309 7.985 -10.019 1.00 0.00 O ATOM 835 OD2 ASP A 53 -4.214 6.222 -10.857 1.00 0.00 O ATOM 0 H ASP A 53 -4.861 7.430 -7.466 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.895 9.653 -9.194 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.168 6.888 -9.270 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.285 8.016 -10.605 1.00 0.00 H new ATOM 840 N ALA A 54 -7.682 8.901 -7.663 1.00 0.00 N ATOM 841 CA ALA A 54 -8.999 9.380 -7.296 1.00 0.00 C ATOM 842 C ALA A 54 -8.871 10.677 -6.503 1.00 0.00 C ATOM 843 O ALA A 54 -9.711 11.571 -6.620 1.00 0.00 O ATOM 844 CB ALA A 54 -9.721 8.324 -6.458 1.00 0.00 C ATOM 0 H ALA A 54 -7.401 8.045 -7.186 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.577 9.570 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.711 8.690 -6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.821 7.406 -7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.147 8.122 -5.554 1.00 0.00 H new ATOM 850 N GLN A 55 -7.802 10.769 -5.702 1.00 0.00 N ATOM 851 CA GLN A 55 -7.553 11.961 -4.894 1.00 0.00 C ATOM 852 C GLN A 55 -6.705 12.975 -5.662 1.00 0.00 C ATOM 853 O GLN A 55 -6.404 14.059 -5.157 1.00 0.00 O ATOM 854 CB GLN A 55 -6.879 11.565 -3.573 1.00 0.00 C ATOM 855 CG GLN A 55 -7.975 11.198 -2.561 1.00 0.00 C ATOM 856 CD GLN A 55 -7.462 11.347 -1.138 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.877 12.251 -0.414 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.576 10.512 -0.696 1.00 0.00 N ATOM 0 H GLN A 55 -7.101 10.035 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.507 12.437 -4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.208 10.720 -3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.273 12.388 -3.194 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.844 11.840 -2.709 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.304 10.172 -2.729 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.235 9.764 -1.299 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.220 10.603 0.255 1.00 0.00 H new ATOM 867 N ALA A 56 -6.337 12.612 -6.891 1.00 0.00 N ATOM 868 CA ALA A 56 -5.534 13.485 -7.743 1.00 0.00 C ATOM 869 C ALA A 56 -6.386 14.611 -8.307 1.00 0.00 C ATOM 870 O ALA A 56 -7.572 14.422 -8.587 1.00 0.00 O ATOM 871 CB ALA A 56 -4.913 12.678 -8.890 1.00 0.00 C ATOM 0 H ALA A 56 -6.583 11.719 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.737 13.918 -7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.317 13.339 -9.519 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.276 11.894 -8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.705 12.226 -9.487 1.00 0.00 H new ATOM 877 N PRO A 57 -5.802 15.776 -8.468 1.00 0.00 N ATOM 878 CA PRO A 57 -6.514 16.963 -9.007 1.00 0.00 C ATOM 879 C PRO A 57 -7.199 16.668 -10.340 1.00 0.00 C ATOM 880 O PRO A 57 -6.804 15.751 -11.064 1.00 0.00 O ATOM 881 CB PRO A 57 -5.431 18.028 -9.190 1.00 0.00 C ATOM 882 CG PRO A 57 -4.126 17.429 -8.785 1.00 0.00 C ATOM 883 CD PRO A 57 -4.400 16.078 -8.138 1.00 0.00 C ATOM 0 HA PRO A 57 -7.308 17.281 -8.331 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.393 18.359 -10.228 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.653 18.906 -8.583 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.477 17.310 -9.653 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.607 18.086 -8.087 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.729 15.311 -8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.248 16.119 -7.059 1.00 0.00 H new ATOM 891 N LYS A 58 -8.223 17.459 -10.643 1.00 0.00 N ATOM 892 CA LYS A 58 -8.987 17.308 -11.885 1.00 0.00 C ATOM 893 C LYS A 58 -9.232 18.674 -12.529 1.00 0.00 C ATOM 894 O LYS A 58 -9.545 19.605 -11.804 1.00 0.00 O ATOM 895 CB LYS A 58 -10.338 16.625 -11.600 1.00 0.00 C ATOM 896 CG LYS A 58 -10.126 15.244 -10.953 1.00 0.00 C ATOM 897 CD LYS A 58 -9.533 14.261 -11.978 1.00 0.00 C ATOM 898 CE LYS A 58 -9.352 12.881 -11.335 1.00 0.00 C ATOM 899 NZ LYS A 58 -7.999 12.799 -10.713 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.104 18.768 -13.739 1.00 0.00 O ATOM 0 H LYS A 58 -8.548 18.217 -10.043 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.408 16.689 -12.570 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.936 17.253 -10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.898 16.515 -12.529 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.458 15.334 -10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.075 14.861 -10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.191 14.185 -12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.574 14.633 -12.338 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.122 12.715 -10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.467 12.099 -12.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.929 11.929 -10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.274 12.787 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.849 13.624 -10.098 1.00 0.00 H new TER 914 LYS A 58