USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 ASN : amide:sc= -1.37 K(o=-1.4,f=-4.9!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.471 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -3.55! C(o=-3.5!,f=-3.6!) USER MOD Single : A 40 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-0.74) USER MOD Single : A 41 TYR OH : rot -76:sc= 0.65 USER MOD Single : A 44 LYS NZ :NH3+ -111:sc= -4.99! (180deg=-6.73!) USER MOD Single : A 45 HIS : no HE2:sc= -1.36! C(o=-1.4!,f=-1.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -14.6! C(o=-15!,f=-19!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -5.99! C(o=-6!,f=-10!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0808 USER MOD Single : A 70 THR OG1 : rot -27:sc= -0.88 USER MOD Single : A 74 GLN : amide:sc= -1.73 K(o=-1.7,f=-5.9!) USER MOD Single : A 75 GLN : amide:sc= -0.321 X(o=-0.32,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.843 USER MOD ----------------------------------------------------------------- ATOM 21 N VAL A 5 2.545 6.296 -9.294 1.00 0.00 N ATOM 22 CA VAL A 5 1.889 6.313 -8.000 1.00 0.00 C ATOM 23 C VAL A 5 0.470 6.844 -8.073 1.00 0.00 C ATOM 24 O VAL A 5 0.124 7.653 -8.930 1.00 0.00 O ATOM 25 CB VAL A 5 2.684 7.132 -6.966 1.00 0.00 C ATOM 26 CG1 VAL A 5 3.015 8.510 -7.512 1.00 0.00 C ATOM 27 CG2 VAL A 5 1.921 7.240 -5.650 1.00 0.00 C ATOM 0 HA VAL A 5 1.850 5.272 -7.679 1.00 0.00 H new ATOM 0 HB VAL A 5 3.620 6.609 -6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.577 9.072 -6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.614 8.409 -8.417 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.092 9.040 -7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.505 7.823 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.964 7.732 -5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.748 6.242 -5.247 1.00 0.00 H new ATOM 31 N ASN A 6 -0.335 6.370 -7.141 1.00 0.00 N ATOM 32 CA ASN A 6 -1.734 6.771 -7.039 1.00 0.00 C ATOM 33 C ASN A 6 -2.363 6.186 -5.778 1.00 0.00 C ATOM 34 O ASN A 6 -2.519 6.877 -4.771 1.00 0.00 O ATOM 35 CB ASN A 6 -2.511 6.324 -8.281 1.00 0.00 C ATOM 36 CG ASN A 6 -3.976 6.712 -8.219 1.00 0.00 C ATOM 37 OD1 ASN A 6 -4.446 7.248 -7.216 1.00 0.00 O ATOM 38 ND2 ASN A 6 -4.706 6.439 -9.294 1.00 0.00 N ATOM 0 H ASN A 6 -0.043 5.697 -6.432 1.00 0.00 H new ATOM 0 HA ASN A 6 -1.779 7.858 -6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.058 6.767 -9.168 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.429 5.242 -8.387 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.698 6.675 -9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.275 5.994 -10.104 1.00 0.00 H new ATOM 43 N GLU A 7 -2.707 4.908 -5.840 1.00 0.00 N ATOM 44 CA GLU A 7 -3.304 4.209 -4.712 1.00 0.00 C ATOM 45 C GLU A 7 -2.935 2.732 -4.762 1.00 0.00 C ATOM 46 O GLU A 7 -3.189 2.056 -5.759 1.00 0.00 O ATOM 47 CB GLU A 7 -4.826 4.374 -4.724 1.00 0.00 C ATOM 48 CG GLU A 7 -5.457 4.096 -6.078 1.00 0.00 C ATOM 49 CD GLU A 7 -6.966 3.967 -6.001 1.00 0.00 C ATOM 50 OE1 GLU A 7 -7.472 3.547 -4.939 1.00 0.00 O ATOM 51 OE2 GLU A 7 -7.640 4.286 -7.003 1.00 0.00 O ATOM 0 H GLU A 7 -2.581 4.329 -6.670 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.917 4.641 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.262 3.702 -3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.075 5.390 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.199 4.900 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.038 3.178 -6.489 1.00 0.00 H new ATOM 58 N TRP A 8 -2.333 2.233 -3.689 1.00 0.00 N ATOM 59 CA TRP A 8 -1.933 0.835 -3.636 1.00 0.00 C ATOM 60 C TRP A 8 -3.058 -0.032 -3.091 1.00 0.00 C ATOM 61 O TRP A 8 -3.398 0.057 -1.920 1.00 0.00 O ATOM 62 CB TRP A 8 -0.676 0.662 -2.775 1.00 0.00 C ATOM 63 CG TRP A 8 -0.399 -0.771 -2.427 1.00 0.00 C ATOM 64 CD1 TRP A 8 0.341 -1.660 -3.150 1.00 0.00 C ATOM 65 CD2 TRP A 8 -0.873 -1.484 -1.279 1.00 0.00 C ATOM 66 NE1 TRP A 8 0.352 -2.882 -2.525 1.00 0.00 N ATOM 67 CE2 TRP A 8 -0.386 -2.800 -1.373 1.00 0.00 C ATOM 68 CE3 TRP A 8 -1.661 -1.137 -0.180 1.00 0.00 C ATOM 69 CZ2 TRP A 8 -0.668 -3.766 -0.410 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -1.937 -2.095 0.774 1.00 0.00 C ATOM 71 CH2 TRP A 8 -1.441 -3.396 0.654 1.00 0.00 C ATOM 0 H TRP A 8 -2.113 2.772 -2.851 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.709 0.515 -4.653 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.182 1.074 -3.307 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.789 1.238 -1.857 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.845 -1.435 -4.079 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.832 -3.716 -2.863 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.049 -0.134 -0.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.289 -4.773 -0.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.546 -1.835 1.627 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.673 -4.123 1.418 1.00 0.00 H new ATOM 82 N ALA A 9 -3.622 -0.878 -3.946 1.00 0.00 N ATOM 83 CA ALA A 9 -4.699 -1.772 -3.536 1.00 0.00 C ATOM 84 C ALA A 9 -4.198 -3.206 -3.449 1.00 0.00 C ATOM 85 O ALA A 9 -3.416 -3.652 -4.291 1.00 0.00 O ATOM 86 CB ALA A 9 -5.869 -1.689 -4.501 1.00 0.00 C ATOM 0 H ALA A 9 -3.352 -0.964 -4.926 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.040 -1.457 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.659 -2.365 -4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.251 -0.668 -4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.538 -1.974 -5.500 1.00 0.00 H new ATOM 92 N ALA A 10 -4.642 -3.924 -2.429 1.00 0.00 N ATOM 93 CA ALA A 10 -4.224 -5.304 -2.241 1.00 0.00 C ATOM 94 C ALA A 10 -5.290 -6.123 -1.527 1.00 0.00 C ATOM 95 O ALA A 10 -6.236 -5.578 -0.962 1.00 0.00 O ATOM 96 CB ALA A 10 -2.924 -5.348 -1.459 1.00 0.00 C ATOM 0 H ALA A 10 -5.289 -3.576 -1.722 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.073 -5.744 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.617 -6.385 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.151 -4.810 -2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.069 -4.881 -0.485 1.00 0.00 H new ATOM 102 N GLU A 11 -5.107 -7.437 -1.539 1.00 0.00 N ATOM 103 CA GLU A 11 -6.023 -8.353 -0.873 1.00 0.00 C ATOM 104 C GLU A 11 -5.237 -9.264 0.046 1.00 0.00 C ATOM 105 O GLU A 11 -4.328 -9.970 -0.396 1.00 0.00 O ATOM 106 CB GLU A 11 -6.791 -9.195 -1.887 1.00 0.00 C ATOM 107 CG GLU A 11 -7.513 -8.373 -2.942 1.00 0.00 C ATOM 108 CD GLU A 11 -8.265 -9.234 -3.940 1.00 0.00 C ATOM 109 OE1 GLU A 11 -7.633 -10.115 -4.557 1.00 0.00 O ATOM 110 OE2 GLU A 11 -9.486 -9.023 -4.103 1.00 0.00 O ATOM 0 H GLU A 11 -4.325 -7.895 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.742 -7.768 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.097 -9.875 -2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.519 -9.811 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.213 -7.695 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.789 -7.755 -3.474 1.00 0.00 H new ATOM 117 N ILE A 12 -5.569 -9.235 1.323 1.00 0.00 N ATOM 118 CA ILE A 12 -4.865 -10.051 2.291 1.00 0.00 C ATOM 119 C ILE A 12 -5.776 -10.435 3.457 1.00 0.00 C ATOM 120 O ILE A 12 -6.121 -9.596 4.285 1.00 0.00 O ATOM 121 CB ILE A 12 -3.583 -9.324 2.796 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.528 -9.226 4.334 1.00 0.00 C ATOM 123 CG2 ILE A 12 -3.458 -7.941 2.164 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.219 -8.007 4.910 1.00 0.00 C ATOM 0 H ILE A 12 -6.316 -8.659 1.711 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.559 -10.972 1.796 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.733 -9.931 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.983 -10.121 4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.484 -9.219 4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.555 -7.453 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.401 -8.040 1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.328 -7.340 2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.132 -8.019 5.996 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.751 -7.104 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.273 -8.020 4.631 1.00 0.00 H new ATOM 128 N PRO A 13 -6.187 -11.713 3.540 1.00 0.00 N ATOM 129 CA PRO A 13 -7.053 -12.184 4.623 1.00 0.00 C ATOM 130 C PRO A 13 -6.341 -12.137 5.973 1.00 0.00 C ATOM 131 O PRO A 13 -6.158 -13.162 6.630 1.00 0.00 O ATOM 132 CB PRO A 13 -7.366 -13.630 4.234 1.00 0.00 C ATOM 133 CG PRO A 13 -6.253 -14.035 3.332 1.00 0.00 C ATOM 134 CD PRO A 13 -5.850 -12.791 2.594 1.00 0.00 C ATOM 0 HA PRO A 13 -7.943 -11.565 4.737 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.416 -14.273 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.330 -13.703 3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.416 -14.440 3.901 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.574 -14.813 2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.788 -12.794 2.349 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.393 -12.687 1.655 1.00 0.00 H new ATOM 142 N GLY A 14 -5.936 -10.936 6.375 1.00 0.00 N ATOM 143 CA GLY A 14 -5.243 -10.764 7.634 1.00 0.00 C ATOM 144 C GLY A 14 -4.613 -9.393 7.756 1.00 0.00 C ATOM 145 O GLY A 14 -5.323 -8.389 7.801 1.00 0.00 O ATOM 0 H GLY A 14 -6.078 -10.076 5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.943 -10.915 8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.470 -11.527 7.729 1.00 0.00 H new ATOM 149 N GLY A 15 -3.277 -9.353 7.796 1.00 0.00 N ATOM 150 CA GLY A 15 -2.551 -8.095 7.905 1.00 0.00 C ATOM 151 C GLY A 15 -3.313 -7.010 8.647 1.00 0.00 C ATOM 152 O GLY A 15 -3.224 -5.839 8.295 1.00 0.00 O ATOM 0 H GLY A 15 -2.682 -10.180 7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.605 -8.275 8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.310 -7.737 6.904 1.00 0.00 H new ATOM 156 N GLN A 16 -4.063 -7.389 9.673 1.00 0.00 N ATOM 157 CA GLN A 16 -4.830 -6.414 10.439 1.00 0.00 C ATOM 158 C GLN A 16 -3.891 -5.456 11.161 1.00 0.00 C ATOM 159 O GLN A 16 -3.702 -4.317 10.733 1.00 0.00 O ATOM 160 CB GLN A 16 -5.744 -7.119 11.444 1.00 0.00 C ATOM 161 CG GLN A 16 -7.138 -7.394 10.908 1.00 0.00 C ATOM 162 CD GLN A 16 -8.222 -7.134 11.938 1.00 0.00 C ATOM 163 OE1 GLN A 16 -8.288 -7.804 12.968 1.00 0.00 O ATOM 164 NE2 GLN A 16 -9.076 -6.156 11.662 1.00 0.00 N ATOM 0 H GLN A 16 -4.157 -8.353 9.992 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.452 -5.843 9.749 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.285 -8.062 11.741 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.823 -6.507 12.342 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.316 -6.769 10.033 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.198 -8.431 10.577 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.982 -5.627 10.795 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.826 -5.934 12.317 1.00 0.00 H new ATOM 171 N GLU A 17 -3.291 -5.928 12.247 1.00 0.00 N ATOM 172 CA GLU A 17 -2.357 -5.112 13.010 1.00 0.00 C ATOM 173 C GLU A 17 -1.122 -4.792 12.171 1.00 0.00 C ATOM 174 O GLU A 17 -0.388 -3.850 12.465 1.00 0.00 O ATOM 175 CB GLU A 17 -1.946 -5.834 14.296 1.00 0.00 C ATOM 176 CG GLU A 17 -3.103 -6.512 15.011 1.00 0.00 C ATOM 177 CD GLU A 17 -3.037 -8.024 14.925 1.00 0.00 C ATOM 178 OE1 GLU A 17 -3.061 -8.556 13.795 1.00 0.00 O ATOM 179 OE2 GLU A 17 -2.964 -8.677 15.988 1.00 0.00 O ATOM 0 H GLU A 17 -3.434 -6.868 12.617 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.852 -4.178 13.275 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.190 -6.582 14.057 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.482 -5.117 14.973 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.104 -6.211 16.059 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.043 -6.168 14.580 1.00 0.00 H new ATOM 186 N ALA A 18 -0.902 -5.588 11.126 1.00 0.00 N ATOM 187 CA ALA A 18 0.241 -5.397 10.242 1.00 0.00 C ATOM 188 C ALA A 18 -0.021 -4.289 9.226 1.00 0.00 C ATOM 189 O ALA A 18 0.700 -3.293 9.190 1.00 0.00 O ATOM 190 CB ALA A 18 0.579 -6.699 9.532 1.00 0.00 C ATOM 0 H ALA A 18 -1.503 -6.372 10.872 1.00 0.00 H new ATOM 0 HA ALA A 18 1.092 -5.094 10.852 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.434 -6.543 8.875 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.823 -7.463 10.270 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.278 -7.025 8.942 1.00 0.00 H new ATOM 196 N ALA A 19 -1.059 -4.466 8.406 1.00 0.00 N ATOM 197 CA ALA A 19 -1.420 -3.481 7.388 1.00 0.00 C ATOM 198 C ALA A 19 -1.445 -2.083 7.981 1.00 0.00 C ATOM 199 O ALA A 19 -0.872 -1.145 7.427 1.00 0.00 O ATOM 200 CB ALA A 19 -2.767 -3.824 6.773 1.00 0.00 C ATOM 0 H ALA A 19 -1.665 -5.286 8.429 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.665 -3.505 6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.022 -3.081 6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.715 -4.810 6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.531 -3.828 7.550 1.00 0.00 H new ATOM 206 N SER A 20 -2.097 -1.962 9.125 1.00 0.00 N ATOM 207 CA SER A 20 -2.188 -0.688 9.816 1.00 0.00 C ATOM 208 C SER A 20 -0.822 -0.297 10.365 1.00 0.00 C ATOM 209 O SER A 20 -0.503 0.885 10.494 1.00 0.00 O ATOM 210 CB SER A 20 -3.208 -0.767 10.952 1.00 0.00 C ATOM 211 OG SER A 20 -3.318 0.474 11.626 1.00 0.00 O ATOM 0 H SER A 20 -2.572 -2.733 9.595 1.00 0.00 H new ATOM 0 HA SER A 20 -2.518 0.071 9.107 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.180 -1.055 10.552 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.911 -1.543 11.658 1.00 0.00 H new ATOM 0 HG SER A 20 -3.978 0.397 12.347 1.00 0.00 H new ATOM 217 N ALA A 21 -0.019 -1.307 10.688 1.00 0.00 N ATOM 218 CA ALA A 21 1.312 -1.087 11.224 1.00 0.00 C ATOM 219 C ALA A 21 2.285 -0.645 10.135 1.00 0.00 C ATOM 220 O ALA A 21 3.252 0.065 10.408 1.00 0.00 O ATOM 221 CB ALA A 21 1.822 -2.345 11.908 1.00 0.00 C ATOM 0 H ALA A 21 -0.273 -2.290 10.585 1.00 0.00 H new ATOM 0 HA ALA A 21 1.247 -0.286 11.960 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.821 -2.164 12.305 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.151 -2.613 12.724 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.860 -3.161 11.187 1.00 0.00 H new ATOM 227 N ILE A 22 2.024 -1.065 8.899 1.00 0.00 N ATOM 228 CA ILE A 22 2.881 -0.702 7.781 1.00 0.00 C ATOM 229 C ILE A 22 2.769 0.785 7.495 1.00 0.00 C ATOM 230 O ILE A 22 3.753 1.518 7.568 1.00 0.00 O ATOM 231 CB ILE A 22 2.534 -1.476 6.488 1.00 0.00 C ATOM 232 CG1 ILE A 22 1.849 -2.812 6.801 1.00 0.00 C ATOM 233 CG2 ILE A 22 3.788 -1.699 5.667 1.00 0.00 C ATOM 234 CD1 ILE A 22 1.702 -3.725 5.601 1.00 0.00 C ATOM 0 H ILE A 22 1.229 -1.654 8.651 1.00 0.00 H new ATOM 0 HA ILE A 22 3.897 -0.965 8.074 1.00 0.00 H new ATOM 0 HB ILE A 22 1.832 -0.875 5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.421 -3.330 7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.861 -2.613 7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.535 -2.245 4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.226 -0.736 5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.506 -2.276 6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.209 -4.648 5.905 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.104 -3.228 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.688 -3.956 5.197 1.00 0.00 H new ATOM 238 N ALA A 23 1.553 1.222 7.178 1.00 0.00 N ATOM 239 CA ALA A 23 1.288 2.626 6.882 1.00 0.00 C ATOM 240 C ALA A 23 1.939 3.531 7.918 1.00 0.00 C ATOM 241 O ALA A 23 2.449 4.604 7.598 1.00 0.00 O ATOM 242 CB ALA A 23 -0.214 2.873 6.826 1.00 0.00 C ATOM 0 H ALA A 23 0.732 0.620 7.120 1.00 0.00 H new ATOM 0 HA ALA A 23 1.721 2.862 5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.402 3.924 6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.656 2.253 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.661 2.619 7.787 1.00 0.00 H new ATOM 248 N GLU A 24 1.920 3.083 9.163 1.00 0.00 N ATOM 249 CA GLU A 24 2.511 3.839 10.255 1.00 0.00 C ATOM 250 C GLU A 24 4.033 3.767 10.204 1.00 0.00 C ATOM 251 O GLU A 24 4.725 4.700 10.613 1.00 0.00 O ATOM 252 CB GLU A 24 2.012 3.305 11.597 1.00 0.00 C ATOM 253 CG GLU A 24 0.531 3.545 11.835 1.00 0.00 C ATOM 254 CD GLU A 24 0.084 3.108 13.216 1.00 0.00 C ATOM 255 OE1 GLU A 24 0.789 3.427 14.197 1.00 0.00 O ATOM 256 OE2 GLU A 24 -0.970 2.446 13.317 1.00 0.00 O ATOM 0 H GLU A 24 1.500 2.197 9.443 1.00 0.00 H new ATOM 0 HA GLU A 24 2.210 4.881 10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.211 2.235 11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.581 3.774 12.399 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.313 4.605 11.705 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.046 3.007 11.083 1.00 0.00 H new ATOM 263 N GLU A 25 4.547 2.645 9.711 1.00 0.00 N ATOM 264 CA GLU A 25 5.988 2.432 9.618 1.00 0.00 C ATOM 265 C GLU A 25 6.597 3.126 8.398 1.00 0.00 C ATOM 266 O GLU A 25 7.388 4.058 8.537 1.00 0.00 O ATOM 267 CB GLU A 25 6.294 0.932 9.568 1.00 0.00 C ATOM 268 CG GLU A 25 7.401 0.505 10.517 1.00 0.00 C ATOM 269 CD GLU A 25 6.868 -0.115 11.792 1.00 0.00 C ATOM 270 OE1 GLU A 25 5.888 0.422 12.349 1.00 0.00 O ATOM 271 OE2 GLU A 25 7.431 -1.139 12.235 1.00 0.00 O ATOM 0 H GLU A 25 3.985 1.866 9.368 1.00 0.00 H new ATOM 0 HA GLU A 25 6.440 2.872 10.507 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.387 0.377 9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.575 0.661 8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.050 -0.211 10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.014 1.371 10.767 1.00 0.00 H new ATOM 278 N LEU A 26 6.250 2.649 7.203 1.00 0.00 N ATOM 279 CA LEU A 26 6.792 3.210 5.969 1.00 0.00 C ATOM 280 C LEU A 26 6.245 4.613 5.674 1.00 0.00 C ATOM 281 O LEU A 26 6.772 5.322 4.817 1.00 0.00 O ATOM 282 CB LEU A 26 6.548 2.247 4.802 1.00 0.00 C ATOM 283 CG LEU A 26 5.184 2.313 4.116 1.00 0.00 C ATOM 284 CD1 LEU A 26 4.964 1.067 3.286 1.00 0.00 C ATOM 285 CD2 LEU A 26 4.046 2.480 5.113 1.00 0.00 C ATOM 0 H LEU A 26 5.598 1.877 7.065 1.00 0.00 H new ATOM 0 HA LEU A 26 7.867 3.329 6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.314 2.428 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.694 1.230 5.167 1.00 0.00 H new ATOM 0 HG LEU A 26 5.185 3.192 3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.990 1.121 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.744 0.992 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.000 0.189 3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.097 2.522 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.038 1.635 5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.187 3.403 5.675 1.00 0.00 H new ATOM 291 N GLY A 27 5.219 5.027 6.409 1.00 0.00 N ATOM 292 CA GLY A 27 4.666 6.363 6.231 1.00 0.00 C ATOM 293 C GLY A 27 3.609 6.475 5.145 1.00 0.00 C ATOM 294 O GLY A 27 3.812 7.168 4.147 1.00 0.00 O ATOM 0 H GLY A 27 4.759 4.465 7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.232 6.690 7.176 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.480 7.050 5.999 1.00 0.00 H new ATOM 298 N TYR A 28 2.469 5.825 5.348 1.00 0.00 N ATOM 299 CA TYR A 28 1.366 5.888 4.389 1.00 0.00 C ATOM 300 C TYR A 28 0.027 5.724 5.099 1.00 0.00 C ATOM 301 O TYR A 28 -0.025 5.555 6.317 1.00 0.00 O ATOM 302 CB TYR A 28 1.500 4.811 3.309 1.00 0.00 C ATOM 303 CG TYR A 28 2.633 5.038 2.334 1.00 0.00 C ATOM 304 CD1 TYR A 28 3.943 4.831 2.724 1.00 0.00 C ATOM 305 CD2 TYR A 28 2.392 5.438 1.023 1.00 0.00 C ATOM 306 CE1 TYR A 28 4.991 5.010 1.845 1.00 0.00 C ATOM 307 CE2 TYR A 28 3.436 5.622 0.131 1.00 0.00 C ATOM 308 CZ TYR A 28 4.733 5.404 0.549 1.00 0.00 C ATOM 309 OH TYR A 28 5.775 5.585 -0.332 1.00 0.00 O ATOM 0 H TYR A 28 2.282 5.247 6.168 1.00 0.00 H new ATOM 0 HA TYR A 28 1.408 6.867 3.912 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.642 3.845 3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.565 4.754 2.752 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.150 4.523 3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.377 5.607 0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.007 4.843 2.170 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.236 5.934 -0.884 1.00 0.00 H new ATOM 0 HH TYR A 28 5.422 5.862 -1.203 1.00 0.00 H new ATOM 319 N ASP A 29 -1.053 5.760 4.326 1.00 0.00 N ATOM 320 CA ASP A 29 -2.393 5.599 4.876 1.00 0.00 C ATOM 321 C ASP A 29 -2.976 4.257 4.457 1.00 0.00 C ATOM 322 O ASP A 29 -3.388 4.080 3.312 1.00 0.00 O ATOM 323 CB ASP A 29 -3.306 6.735 4.410 1.00 0.00 C ATOM 324 CG ASP A 29 -2.789 8.099 4.820 1.00 0.00 C ATOM 325 OD1 ASP A 29 -2.061 8.179 5.832 1.00 0.00 O ATOM 326 OD2 ASP A 29 -3.109 9.089 4.128 1.00 0.00 O ATOM 0 H ASP A 29 -1.026 5.899 3.316 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.325 5.632 5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.403 6.698 3.325 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.304 6.588 4.824 1.00 0.00 H new ATOM 331 N LEU A 30 -2.999 3.310 5.388 1.00 0.00 N ATOM 332 CA LEU A 30 -3.520 1.978 5.108 1.00 0.00 C ATOM 333 C LEU A 30 -5.012 1.908 5.373 1.00 0.00 C ATOM 334 O LEU A 30 -5.470 2.239 6.465 1.00 0.00 O ATOM 335 CB LEU A 30 -2.803 0.939 5.970 1.00 0.00 C ATOM 336 CG LEU A 30 -3.349 -0.496 5.898 1.00 0.00 C ATOM 337 CD1 LEU A 30 -4.271 -0.784 7.069 1.00 0.00 C ATOM 338 CD2 LEU A 30 -4.056 -0.772 4.577 1.00 0.00 C ATOM 0 H LEU A 30 -2.663 3.440 6.342 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.342 1.765 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.752 0.921 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.843 1.269 7.008 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.493 -1.168 5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.644 -1.805 6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.721 -0.665 8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.110 -0.089 7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.426 -1.797 4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.893 -0.083 4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.356 -0.633 3.753 1.00 0.00 H new ATOM 344 N LEU A 31 -5.767 1.449 4.379 1.00 0.00 N ATOM 345 CA LEU A 31 -7.199 1.319 4.528 1.00 0.00 C ATOM 346 C LEU A 31 -7.721 0.114 3.774 1.00 0.00 C ATOM 347 O LEU A 31 -7.945 0.159 2.565 1.00 0.00 O ATOM 348 CB LEU A 31 -7.942 2.578 4.062 1.00 0.00 C ATOM 349 CG LEU A 31 -7.520 3.901 4.711 1.00 0.00 C ATOM 350 CD1 LEU A 31 -7.561 3.803 6.228 1.00 0.00 C ATOM 351 CD2 LEU A 31 -6.138 4.323 4.228 1.00 0.00 C ATOM 0 H LEU A 31 -5.406 1.164 3.469 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.389 1.184 5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.813 2.671 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.007 2.433 4.244 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.233 4.668 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.257 4.755 6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.575 3.564 6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.881 3.019 6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.859 5.264 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.411 3.555 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.155 4.452 3.146 1.00 0.00 H new ATOM 357 N GLY A 32 -7.915 -0.959 4.514 1.00 0.00 N ATOM 358 CA GLY A 32 -8.417 -2.185 3.933 1.00 0.00 C ATOM 359 C GLY A 32 -9.715 -2.657 4.550 1.00 0.00 C ATOM 360 O GLY A 32 -9.739 -3.122 5.689 1.00 0.00 O ATOM 0 H GLY A 32 -7.733 -1.006 5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.565 -2.037 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.665 -2.966 4.046 1.00 0.00 H new ATOM 364 N GLN A 33 -10.797 -2.545 3.789 1.00 0.00 N ATOM 365 CA GLN A 33 -12.104 -2.973 4.258 1.00 0.00 C ATOM 366 C GLN A 33 -12.995 -3.403 3.095 1.00 0.00 C ATOM 367 O GLN A 33 -13.925 -2.686 2.726 1.00 0.00 O ATOM 368 CB GLN A 33 -12.776 -1.845 5.045 1.00 0.00 C ATOM 369 CG GLN A 33 -14.143 -2.217 5.596 1.00 0.00 C ATOM 370 CD GLN A 33 -15.022 -1.006 5.840 1.00 0.00 C ATOM 371 OE1 GLN A 33 -14.527 0.098 6.070 1.00 0.00 O ATOM 372 NE2 GLN A 33 -16.332 -1.206 5.792 1.00 0.00 N ATOM 0 H GLN A 33 -10.792 -2.161 2.844 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.963 -3.833 4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.128 -1.554 5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.879 -0.974 4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -14.642 -2.889 4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -14.018 -2.765 6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -16.699 -2.138 5.598 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.973 -0.428 5.949 1.00 0.00 H new ATOM 379 N ILE A 34 -12.713 -4.578 2.518 1.00 0.00 N ATOM 380 CA ILE A 34 -13.515 -5.087 1.395 1.00 0.00 C ATOM 381 C ILE A 34 -14.991 -4.847 1.644 1.00 0.00 C ATOM 382 O ILE A 34 -15.731 -4.402 0.766 1.00 0.00 O ATOM 383 CB ILE A 34 -13.324 -6.607 1.127 1.00 0.00 C ATOM 384 CG1 ILE A 34 -12.380 -7.262 2.142 1.00 0.00 C ATOM 385 CG2 ILE A 34 -12.821 -6.835 -0.290 1.00 0.00 C ATOM 386 CD1 ILE A 34 -12.885 -7.213 3.569 1.00 0.00 C ATOM 0 H ILE A 34 -11.947 -5.188 2.804 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.162 -4.540 0.521 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.299 -7.081 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.222 -8.303 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.410 -6.768 2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.692 -7.903 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.545 -6.437 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.865 -6.328 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.163 -7.696 4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.016 -6.175 3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -13.841 -7.733 3.635 1.00 0.00 H new ATOM 390 N GLY A 35 -15.397 -5.160 2.855 1.00 0.00 N ATOM 391 CA GLY A 35 -16.782 -5.000 3.251 1.00 0.00 C ATOM 392 C GLY A 35 -17.374 -6.286 3.789 1.00 0.00 C ATOM 393 O GLY A 35 -18.443 -6.279 4.399 1.00 0.00 O ATOM 0 H GLY A 35 -14.787 -5.528 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.853 -4.223 4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.367 -4.663 2.395 1.00 0.00 H new ATOM 397 N SER A 36 -16.676 -7.396 3.563 1.00 0.00 N ATOM 398 CA SER A 36 -17.135 -8.695 4.028 1.00 0.00 C ATOM 399 C SER A 36 -16.254 -9.211 5.165 1.00 0.00 C ATOM 400 O SER A 36 -16.736 -9.431 6.275 1.00 0.00 O ATOM 401 CB SER A 36 -17.158 -9.695 2.871 1.00 0.00 C ATOM 402 OG SER A 36 -18.325 -9.534 2.081 1.00 0.00 O ATOM 0 H SER A 36 -15.789 -7.418 3.059 1.00 0.00 H new ATOM 0 HA SER A 36 -18.149 -8.582 4.412 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.273 -9.558 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 36 -17.118 -10.711 3.263 1.00 0.00 H new ATOM 0 HG SER A 36 -18.315 -10.183 1.347 1.00 0.00 H new ATOM 408 N LEU A 37 -14.961 -9.402 4.892 1.00 0.00 N ATOM 409 CA LEU A 37 -14.041 -9.889 5.908 1.00 0.00 C ATOM 410 C LEU A 37 -12.869 -8.923 6.076 1.00 0.00 C ATOM 411 O LEU A 37 -13.054 -7.794 6.528 1.00 0.00 O ATOM 412 CB LEU A 37 -13.570 -11.308 5.556 1.00 0.00 C ATOM 413 CG LEU A 37 -13.484 -11.622 4.059 1.00 0.00 C ATOM 414 CD1 LEU A 37 -14.870 -11.694 3.445 1.00 0.00 C ATOM 415 CD2 LEU A 37 -12.636 -10.592 3.331 1.00 0.00 C ATOM 0 H LEU A 37 -14.535 -9.227 3.982 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.558 -9.940 6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.587 -11.466 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.249 -12.023 6.021 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.005 -12.595 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.786 -11.918 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.445 -12.478 3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.376 -10.737 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.593 -10.840 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.078 -9.604 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.628 -10.592 3.745 1.00 0.00 H new ATOM 421 N GLU A 38 -11.673 -9.361 5.708 1.00 0.00 N ATOM 422 CA GLU A 38 -10.484 -8.541 5.812 1.00 0.00 C ATOM 423 C GLU A 38 -9.423 -9.044 4.852 1.00 0.00 C ATOM 424 O GLU A 38 -8.352 -9.488 5.264 1.00 0.00 O ATOM 425 CB GLU A 38 -9.941 -8.579 7.229 1.00 0.00 C ATOM 426 CG GLU A 38 -10.947 -8.176 8.295 1.00 0.00 C ATOM 427 CD GLU A 38 -11.279 -6.698 8.255 1.00 0.00 C ATOM 428 OE1 GLU A 38 -10.391 -5.899 7.890 1.00 0.00 O ATOM 429 OE2 GLU A 38 -12.428 -6.338 8.588 1.00 0.00 O ATOM 0 H GLU A 38 -11.504 -10.293 5.330 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.747 -7.514 5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.587 -9.587 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.077 -7.917 7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.862 -8.754 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.550 -8.429 9.278 1.00 0.00 H new ATOM 436 N ASN A 39 -9.735 -8.980 3.571 1.00 0.00 N ATOM 437 CA ASN A 39 -8.806 -9.440 2.548 1.00 0.00 C ATOM 438 C ASN A 39 -8.700 -8.431 1.406 1.00 0.00 C ATOM 439 O ASN A 39 -8.484 -8.779 0.249 1.00 0.00 O ATOM 440 CB ASN A 39 -9.205 -10.844 2.078 1.00 0.00 C ATOM 441 CG ASN A 39 -9.585 -10.940 0.612 1.00 0.00 C ATOM 442 OD1 ASN A 39 -8.775 -11.334 -0.225 1.00 0.00 O ATOM 443 ND2 ASN A 39 -10.820 -10.579 0.296 1.00 0.00 N ATOM 0 H ASN A 39 -10.618 -8.617 3.213 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.805 -9.513 2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.376 -11.525 2.269 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.046 -11.188 2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.131 -10.622 -0.674 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.459 -10.258 1.023 1.00 0.00 H new ATOM 448 N HIS A 40 -8.816 -7.172 1.778 1.00 0.00 N ATOM 449 CA HIS A 40 -8.701 -6.061 0.841 1.00 0.00 C ATOM 450 C HIS A 40 -8.134 -4.846 1.563 1.00 0.00 C ATOM 451 O HIS A 40 -8.819 -4.224 2.370 1.00 0.00 O ATOM 452 CB HIS A 40 -10.056 -5.721 0.223 1.00 0.00 C ATOM 453 CG HIS A 40 -9.995 -4.603 -0.771 1.00 0.00 C ATOM 454 ND1 HIS A 40 -10.498 -4.704 -2.050 1.00 0.00 N ATOM 455 CD2 HIS A 40 -9.486 -3.352 -0.666 1.00 0.00 C ATOM 456 CE1 HIS A 40 -10.303 -3.564 -2.690 1.00 0.00 C ATOM 457 NE2 HIS A 40 -9.691 -2.728 -1.872 1.00 0.00 N ATOM 0 H HIS A 40 -8.993 -6.885 2.741 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.029 -6.354 0.034 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.457 -6.609 -0.265 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.752 -5.452 1.018 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.008 -2.925 0.204 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.595 -3.353 -3.708 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.415 -1.773 -2.099 1.00 0.00 H new ATOM 466 N TYR A 41 -6.873 -4.528 1.284 1.00 0.00 N ATOM 467 CA TYR A 41 -6.207 -3.400 1.927 1.00 0.00 C ATOM 468 C TYR A 41 -5.536 -2.504 0.897 1.00 0.00 C ATOM 469 O TYR A 41 -4.988 -2.990 -0.091 1.00 0.00 O ATOM 470 CB TYR A 41 -5.182 -3.910 2.943 1.00 0.00 C ATOM 471 CG TYR A 41 -5.801 -4.443 4.222 1.00 0.00 C ATOM 472 CD1 TYR A 41 -6.401 -5.699 4.259 1.00 0.00 C ATOM 473 CD2 TYR A 41 -5.786 -3.689 5.395 1.00 0.00 C ATOM 474 CE1 TYR A 41 -6.966 -6.186 5.423 1.00 0.00 C ATOM 475 CE2 TYR A 41 -6.350 -4.174 6.560 1.00 0.00 C ATOM 476 CZ TYR A 41 -6.938 -5.420 6.569 1.00 0.00 C ATOM 477 OH TYR A 41 -7.499 -5.904 7.729 1.00 0.00 O ATOM 0 H TYR A 41 -6.292 -5.036 0.617 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.958 -2.806 2.448 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.588 -4.699 2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.497 -3.100 3.192 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.425 -6.303 3.364 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.327 -2.711 5.393 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.427 -7.162 5.435 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.330 -3.578 7.460 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.475 -5.836 7.673 1.00 0.00 H new ATOM 487 N LEU A 42 -5.589 -1.191 1.121 1.00 0.00 N ATOM 488 CA LEU A 42 -4.988 -0.253 0.182 1.00 0.00 C ATOM 489 C LEU A 42 -4.193 0.845 0.896 1.00 0.00 C ATOM 490 O LEU A 42 -4.355 1.065 2.095 1.00 0.00 O ATOM 491 CB LEU A 42 -6.071 0.326 -0.739 1.00 0.00 C ATOM 492 CG LEU A 42 -6.432 1.800 -0.532 1.00 0.00 C ATOM 493 CD1 LEU A 42 -6.312 2.563 -1.844 1.00 0.00 C ATOM 494 CD2 LEU A 42 -7.837 1.922 0.034 1.00 0.00 C ATOM 0 H LEU A 42 -6.035 -0.761 1.931 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.268 -0.794 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.745 0.197 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.977 -0.267 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.734 2.236 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.572 3.609 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.288 2.496 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.990 2.131 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.082 2.975 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.549 1.475 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.890 1.404 0.992 1.00 0.00 H new ATOM 500 N PHE A 43 -3.315 1.513 0.144 1.00 0.00 N ATOM 501 CA PHE A 43 -2.464 2.568 0.693 1.00 0.00 C ATOM 502 C PHE A 43 -2.521 3.836 -0.160 1.00 0.00 C ATOM 503 O PHE A 43 -2.668 3.770 -1.380 1.00 0.00 O ATOM 504 CB PHE A 43 -1.010 2.085 0.751 1.00 0.00 C ATOM 505 CG PHE A 43 -0.626 1.395 2.026 1.00 0.00 C ATOM 506 CD1 PHE A 43 -1.400 0.369 2.547 1.00 0.00 C ATOM 507 CD2 PHE A 43 0.527 1.764 2.696 1.00 0.00 C ATOM 508 CE1 PHE A 43 -1.032 -0.268 3.715 1.00 0.00 C ATOM 509 CE2 PHE A 43 0.900 1.130 3.863 1.00 0.00 C ATOM 510 CZ PHE A 43 0.118 0.113 4.374 1.00 0.00 C ATOM 0 H PHE A 43 -3.176 1.340 -0.851 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.832 2.799 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.835 1.403 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.352 2.941 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.300 0.065 2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.143 2.558 2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.644 -1.064 4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.802 1.429 4.376 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.407 -0.383 5.289 1.00 0.00 H new ATOM 520 N LYS A 44 -2.375 4.991 0.492 1.00 0.00 N ATOM 521 CA LYS A 44 -2.381 6.276 -0.206 1.00 0.00 C ATOM 522 C LYS A 44 -1.527 7.298 0.541 1.00 0.00 C ATOM 523 O LYS A 44 -1.918 7.793 1.597 1.00 0.00 O ATOM 524 CB LYS A 44 -3.804 6.813 -0.363 1.00 0.00 C ATOM 525 CG LYS A 44 -4.803 5.772 -0.831 1.00 0.00 C ATOM 526 CD LYS A 44 -5.245 4.880 0.319 1.00 0.00 C ATOM 527 CE LYS A 44 -6.702 5.113 0.694 1.00 0.00 C ATOM 528 NZ LYS A 44 -7.573 5.290 -0.502 1.00 0.00 N ATOM 0 H LYS A 44 -2.251 5.062 1.502 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.959 6.113 -1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.137 7.219 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.794 7.639 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.671 6.267 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.357 5.163 -1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.105 3.835 0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.613 5.067 1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.063 4.269 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.775 5.997 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.905 6.275 -0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.032 5.067 -1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.391 4.652 -0.433 1.00 0.00 H new ATOM 542 N HIS A 45 -0.362 7.612 -0.017 1.00 0.00 N ATOM 543 CA HIS A 45 0.543 8.580 0.594 1.00 0.00 C ATOM 544 C HIS A 45 1.712 8.890 -0.330 1.00 0.00 C ATOM 545 O HIS A 45 2.690 8.148 -0.386 1.00 0.00 O ATOM 546 CB HIS A 45 1.059 8.062 1.934 1.00 0.00 C ATOM 547 CG HIS A 45 1.004 9.083 3.027 1.00 0.00 C ATOM 548 ND1 HIS A 45 2.122 9.516 3.710 1.00 0.00 N ATOM 549 CD2 HIS A 45 -0.042 9.759 3.556 1.00 0.00 C ATOM 550 CE1 HIS A 45 1.764 10.414 4.612 1.00 0.00 C ATOM 551 NE2 HIS A 45 0.457 10.579 4.538 1.00 0.00 N ATOM 0 H HIS A 45 -0.022 7.210 -0.891 1.00 0.00 H new ATOM 0 HA HIS A 45 -0.016 9.500 0.764 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.472 7.192 2.229 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.089 7.725 1.813 1.00 0.00 H new ATOM 0 HD1 HIS A 45 3.076 9.194 3.545 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.077 9.670 3.261 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.428 10.925 5.293 1.00 0.00 H new ATOM 560 N LYS A 46 1.601 9.992 -1.059 1.00 0.00 N ATOM 561 CA LYS A 46 2.645 10.401 -1.987 1.00 0.00 C ATOM 562 C LYS A 46 3.640 11.340 -1.308 1.00 0.00 C ATOM 563 O LYS A 46 4.732 10.924 -0.922 1.00 0.00 O ATOM 564 CB LYS A 46 2.006 11.064 -3.207 1.00 0.00 C ATOM 565 CG LYS A 46 1.394 10.060 -4.171 1.00 0.00 C ATOM 566 CD LYS A 46 -0.121 10.188 -4.231 1.00 0.00 C ATOM 567 CE LYS A 46 -0.546 11.577 -4.681 1.00 0.00 C ATOM 568 NZ LYS A 46 -1.624 12.135 -3.816 1.00 0.00 N ATOM 0 H LYS A 46 0.797 10.619 -1.025 1.00 0.00 H new ATOM 0 HA LYS A 46 3.200 9.521 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.234 11.759 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.759 11.652 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.812 10.210 -5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.662 9.049 -3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.523 9.443 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.544 9.977 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.316 12.244 -4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.894 11.534 -5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.886 13.083 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.456 11.512 -3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.283 12.200 -2.836 1.00 0.00 H new ATOM 582 N SER A 47 3.251 12.600 -1.149 1.00 0.00 N ATOM 583 CA SER A 47 4.098 13.596 -0.497 1.00 0.00 C ATOM 584 C SER A 47 5.371 13.892 -1.293 1.00 0.00 C ATOM 585 O SER A 47 6.288 14.533 -0.781 1.00 0.00 O ATOM 586 CB SER A 47 4.466 13.134 0.915 1.00 0.00 C ATOM 587 OG SER A 47 3.546 13.632 1.871 1.00 0.00 O ATOM 0 H SER A 47 2.350 12.959 -1.464 1.00 0.00 H new ATOM 0 HA SER A 47 3.522 14.520 -0.446 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.480 12.045 0.952 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.472 13.474 1.162 1.00 0.00 H new ATOM 0 HG SER A 47 3.802 13.321 2.764 1.00 0.00 H new ATOM 593 N HIS A 48 5.423 13.446 -2.545 1.00 0.00 N ATOM 594 CA HIS A 48 6.590 13.698 -3.392 1.00 0.00 C ATOM 595 C HIS A 48 6.450 13.060 -4.780 1.00 0.00 C ATOM 596 O HIS A 48 6.802 13.685 -5.779 1.00 0.00 O ATOM 597 CB HIS A 48 7.893 13.239 -2.715 1.00 0.00 C ATOM 598 CG HIS A 48 7.858 11.847 -2.171 1.00 0.00 C ATOM 599 ND1 HIS A 48 7.248 11.516 -0.980 1.00 0.00 N ATOM 600 CD2 HIS A 48 8.357 10.688 -2.668 1.00 0.00 C ATOM 601 CE1 HIS A 48 7.368 10.219 -0.769 1.00 0.00 C ATOM 602 NE2 HIS A 48 8.037 9.692 -1.778 1.00 0.00 N ATOM 0 H HIS A 48 4.679 12.913 -2.995 1.00 0.00 H new ATOM 0 HA HIS A 48 6.641 14.778 -3.531 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.707 13.312 -3.437 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.126 13.927 -1.902 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.777 12.172 -0.358 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.904 10.570 -3.592 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.984 9.680 0.084 1.00 0.00 H new ATOM 611 N PRO A 49 5.932 11.818 -4.883 1.00 0.00 N ATOM 612 CA PRO A 49 5.758 11.145 -6.158 1.00 0.00 C ATOM 613 C PRO A 49 4.369 11.391 -6.739 1.00 0.00 C ATOM 614 O PRO A 49 3.391 11.499 -6.000 1.00 0.00 O ATOM 615 CB PRO A 49 5.937 9.664 -5.795 1.00 0.00 C ATOM 616 CG PRO A 49 5.812 9.579 -4.298 1.00 0.00 C ATOM 617 CD PRO A 49 5.464 10.957 -3.798 1.00 0.00 C ATOM 0 HA PRO A 49 6.456 11.497 -6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.181 9.050 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.909 9.297 -6.126 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.040 8.862 -4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.745 9.233 -3.854 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.393 11.067 -3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.963 11.184 -2.856 1.00 0.00 H new ATOM 625 N ARG A 50 4.285 11.484 -8.061 1.00 0.00 N ATOM 626 CA ARG A 50 3.008 11.718 -8.724 1.00 0.00 C ATOM 627 C ARG A 50 2.723 10.627 -9.748 1.00 0.00 C ATOM 628 O ARG A 50 3.645 10.019 -10.293 1.00 0.00 O ATOM 629 CB ARG A 50 3.006 13.092 -9.402 1.00 0.00 C ATOM 630 CG ARG A 50 2.142 14.119 -8.689 1.00 0.00 C ATOM 631 CD ARG A 50 2.972 15.006 -7.774 1.00 0.00 C ATOM 632 NE ARG A 50 3.813 15.934 -8.526 1.00 0.00 N ATOM 633 CZ ARG A 50 4.361 17.028 -8.003 1.00 0.00 C ATOM 634 NH1 ARG A 50 4.158 17.336 -6.728 1.00 0.00 N ATOM 635 NH2 ARG A 50 5.113 17.818 -8.757 1.00 0.00 N ATOM 0 H ARG A 50 5.082 11.401 -8.692 1.00 0.00 H new ATOM 0 HA ARG A 50 2.222 11.695 -7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.029 13.464 -9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.654 12.982 -10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.626 14.735 -9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.375 13.609 -8.106 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.310 15.569 -7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.600 14.383 -7.137 1.00 0.00 H new ATOM 0 HE ARG A 50 3.991 15.731 -9.510 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.579 16.733 -6.144 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.581 18.176 -6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.271 17.587 -9.738 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.533 18.657 -8.356 1.00 0.00 H new ATOM 649 N ARG A 51 1.442 10.385 -10.012 1.00 0.00 N ATOM 650 CA ARG A 51 1.044 9.365 -10.980 1.00 0.00 C ATOM 651 C ARG A 51 1.812 9.555 -12.283 1.00 0.00 C ATOM 652 O ARG A 51 1.658 10.570 -12.962 1.00 0.00 O ATOM 653 CB ARG A 51 -0.463 9.429 -11.254 1.00 0.00 C ATOM 654 CG ARG A 51 -1.309 9.690 -10.016 1.00 0.00 C ATOM 655 CD ARG A 51 -2.028 11.029 -10.095 1.00 0.00 C ATOM 656 NE ARG A 51 -1.637 11.925 -9.011 1.00 0.00 N ATOM 657 CZ ARG A 51 -1.833 13.241 -9.030 1.00 0.00 C ATOM 658 NH1 ARG A 51 -2.415 13.818 -10.074 1.00 0.00 N ATOM 659 NH2 ARG A 51 -1.448 13.984 -8.001 1.00 0.00 N ATOM 0 H ARG A 51 0.665 10.878 -9.572 1.00 0.00 H new ATOM 0 HA ARG A 51 1.278 8.387 -10.560 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.656 10.215 -11.985 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.780 8.489 -11.706 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.041 8.891 -9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.673 9.670 -9.131 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.810 11.502 -11.053 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.105 10.865 -10.059 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.187 11.518 -8.191 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.715 13.252 -10.868 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.562 14.827 -10.082 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.002 13.547 -7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.598 14.993 -8.016 1.00 0.00 H new ATOM 673 N SER A 52 2.651 8.582 -12.621 1.00 0.00 N ATOM 674 CA SER A 52 3.453 8.663 -13.839 1.00 0.00 C ATOM 675 C SER A 52 4.477 9.788 -13.722 1.00 0.00 C ATOM 676 O SER A 52 4.216 10.922 -14.124 1.00 0.00 O ATOM 677 CB SER A 52 2.558 8.894 -15.056 1.00 0.00 C ATOM 678 OG SER A 52 2.940 8.061 -16.136 1.00 0.00 O ATOM 0 H SER A 52 2.794 7.733 -12.074 1.00 0.00 H new ATOM 0 HA SER A 52 3.979 7.717 -13.969 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.520 8.697 -14.790 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.616 9.939 -15.361 1.00 0.00 H new ATOM 0 HG SER A 52 2.351 8.227 -16.901 1.00 0.00 H new ATOM 684 N ARG A 53 5.638 9.468 -13.159 1.00 0.00 N ATOM 685 CA ARG A 53 6.698 10.452 -12.976 1.00 0.00 C ATOM 686 C ARG A 53 7.935 9.796 -12.373 1.00 0.00 C ATOM 687 O ARG A 53 9.055 10.012 -12.834 1.00 0.00 O ATOM 688 CB ARG A 53 6.211 11.586 -12.070 1.00 0.00 C ATOM 689 CG ARG A 53 5.829 12.847 -12.829 1.00 0.00 C ATOM 690 CD ARG A 53 4.436 13.328 -12.451 1.00 0.00 C ATOM 691 NE ARG A 53 4.035 14.500 -13.226 1.00 0.00 N ATOM 692 CZ ARG A 53 2.774 14.897 -13.374 1.00 0.00 C ATOM 693 NH1 ARG A 53 1.786 14.223 -12.798 1.00 0.00 N ATOM 694 NH2 ARG A 53 2.499 15.974 -14.098 1.00 0.00 N ATOM 0 H ARG A 53 5.868 8.533 -12.821 1.00 0.00 H new ATOM 0 HA ARG A 53 6.962 10.864 -13.950 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.349 11.240 -11.499 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.994 11.827 -11.351 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.555 13.632 -12.619 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.869 12.653 -13.901 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.718 12.524 -12.612 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.411 13.570 -11.388 1.00 0.00 H new ATOM 0 HE ARG A 53 4.766 15.047 -13.681 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.992 13.396 -12.238 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.821 14.533 -12.915 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.254 16.497 -14.541 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.532 16.279 -14.212 1.00 0.00 H new ATOM 708 N ARG A 54 7.718 8.996 -11.335 1.00 0.00 N ATOM 709 CA ARG A 54 8.810 8.303 -10.657 1.00 0.00 C ATOM 710 C ARG A 54 8.280 7.156 -9.798 1.00 0.00 C ATOM 711 O ARG A 54 7.274 7.300 -9.105 1.00 0.00 O ATOM 712 CB ARG A 54 9.599 9.284 -9.788 1.00 0.00 C ATOM 713 CG ARG A 54 8.718 10.180 -8.930 1.00 0.00 C ATOM 714 CD ARG A 54 9.022 10.017 -7.448 1.00 0.00 C ATOM 715 NE ARG A 54 10.350 10.518 -7.100 1.00 0.00 N ATOM 716 CZ ARG A 54 11.423 9.745 -6.936 1.00 0.00 C ATOM 717 NH1 ARG A 54 11.339 8.428 -7.088 1.00 0.00 N ATOM 718 NH2 ARG A 54 12.588 10.292 -6.616 1.00 0.00 N ATOM 0 H ARG A 54 6.795 8.810 -10.943 1.00 0.00 H new ATOM 0 HA ARG A 54 9.471 7.886 -11.417 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.272 8.723 -9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.221 9.907 -10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.866 11.220 -9.219 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.670 9.944 -9.114 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.270 10.548 -6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.950 8.964 -7.178 1.00 0.00 H new ATOM 0 HE ARG A 54 10.463 11.524 -6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.447 7.999 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.167 7.846 -6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.661 11.302 -6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.411 9.702 -6.490 1.00 0.00 H new ATOM 732 N SER A 55 8.966 6.017 -9.851 1.00 0.00 N ATOM 733 CA SER A 55 8.568 4.841 -9.080 1.00 0.00 C ATOM 734 C SER A 55 8.491 5.159 -7.589 1.00 0.00 C ATOM 735 O SER A 55 9.005 6.180 -7.134 1.00 0.00 O ATOM 736 CB SER A 55 9.556 3.696 -9.319 1.00 0.00 C ATOM 737 OG SER A 55 8.894 2.550 -9.825 1.00 0.00 O ATOM 0 H SER A 55 9.801 5.883 -10.421 1.00 0.00 H new ATOM 0 HA SER A 55 7.576 4.538 -9.415 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.325 4.016 -10.022 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.061 3.446 -8.386 1.00 0.00 H new ATOM 0 HG SER A 55 9.546 1.833 -9.971 1.00 0.00 H new ATOM 743 N ALA A 56 7.847 4.272 -6.831 1.00 0.00 N ATOM 744 CA ALA A 56 7.710 4.455 -5.390 1.00 0.00 C ATOM 745 C ALA A 56 9.085 4.498 -4.727 1.00 0.00 C ATOM 746 O ALA A 56 10.079 4.820 -5.377 1.00 0.00 O ATOM 747 CB ALA A 56 6.852 3.349 -4.792 1.00 0.00 C ATOM 0 H ALA A 56 7.414 3.422 -7.192 1.00 0.00 H new ATOM 0 HA ALA A 56 7.212 5.407 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.760 3.501 -3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.862 3.370 -5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.319 2.383 -4.983 1.00 0.00 H new ATOM 753 N LEU A 57 9.149 4.179 -3.435 1.00 0.00 N ATOM 754 CA LEU A 57 10.423 4.203 -2.728 1.00 0.00 C ATOM 755 C LEU A 57 10.297 3.695 -1.294 1.00 0.00 C ATOM 756 O LEU A 57 10.918 2.700 -0.919 1.00 0.00 O ATOM 757 CB LEU A 57 10.975 5.623 -2.709 1.00 0.00 C ATOM 758 CG LEU A 57 9.938 6.701 -2.397 1.00 0.00 C ATOM 759 CD1 LEU A 57 10.206 7.315 -1.032 1.00 0.00 C ATOM 760 CD2 LEU A 57 9.936 7.759 -3.483 1.00 0.00 C ATOM 0 H LEU A 57 8.347 3.906 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 57 11.102 3.537 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.773 5.679 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.424 5.838 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 57 8.950 6.242 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.459 8.081 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.153 6.540 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.199 7.765 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.193 8.521 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.922 8.220 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.692 7.298 -4.440 1.00 0.00 H new ATOM 766 N HIS A 58 9.505 4.399 -0.493 1.00 0.00 N ATOM 767 CA HIS A 58 9.310 4.043 0.903 1.00 0.00 C ATOM 768 C HIS A 58 8.235 2.977 1.058 1.00 0.00 C ATOM 769 O HIS A 58 8.206 2.258 2.056 1.00 0.00 O ATOM 770 CB HIS A 58 8.932 5.288 1.707 1.00 0.00 C ATOM 771 CG HIS A 58 9.546 5.329 3.070 1.00 0.00 C ATOM 772 ND1 HIS A 58 9.063 4.599 4.133 1.00 0.00 N ATOM 773 CD2 HIS A 58 10.607 6.026 3.544 1.00 0.00 C ATOM 774 CE1 HIS A 58 9.798 4.844 5.203 1.00 0.00 C ATOM 775 NE2 HIS A 58 10.742 5.705 4.872 1.00 0.00 N ATOM 0 H HIS A 58 8.986 5.225 -0.792 1.00 0.00 H new ATOM 0 HA HIS A 58 10.246 3.634 1.283 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.238 6.175 1.153 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.847 5.332 1.805 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.230 6.707 2.982 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.651 4.413 6.182 1.00 0.00 H new ATOM 0 HE2 HIS A 58 11.456 6.072 5.501 1.00 0.00 H new ATOM 784 N ILE A 59 7.349 2.877 0.074 1.00 0.00 N ATOM 785 CA ILE A 59 6.281 1.891 0.127 1.00 0.00 C ATOM 786 C ILE A 59 6.688 0.590 -0.567 1.00 0.00 C ATOM 787 O ILE A 59 5.881 -0.328 -0.714 1.00 0.00 O ATOM 788 CB ILE A 59 4.960 2.462 -0.459 1.00 0.00 C ATOM 789 CG1 ILE A 59 3.876 2.473 0.625 1.00 0.00 C ATOM 790 CG2 ILE A 59 4.482 1.695 -1.688 1.00 0.00 C ATOM 791 CD1 ILE A 59 3.245 1.124 0.866 1.00 0.00 C ATOM 0 H ILE A 59 7.350 3.461 -0.762 1.00 0.00 H new ATOM 0 HA ILE A 59 6.099 1.655 1.176 1.00 0.00 H new ATOM 0 HB ILE A 59 5.161 3.481 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.311 2.833 1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.099 3.182 0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.556 2.137 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.242 1.746 -2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.306 0.653 -1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.488 1.210 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.780 0.770 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.011 0.415 1.181 1.00 0.00 H new ATOM 795 N THR A 60 7.950 0.510 -0.972 1.00 0.00 N ATOM 796 CA THR A 60 8.464 -0.683 -1.631 1.00 0.00 C ATOM 797 C THR A 60 9.411 -1.433 -0.702 1.00 0.00 C ATOM 798 O THR A 60 10.390 -2.033 -1.148 1.00 0.00 O ATOM 799 CB THR A 60 9.187 -0.306 -2.925 1.00 0.00 C ATOM 800 OG1 THR A 60 8.501 0.736 -3.596 1.00 0.00 O ATOM 801 CG2 THR A 60 9.327 -1.462 -3.893 1.00 0.00 C ATOM 0 H THR A 60 8.635 1.257 -0.855 1.00 0.00 H new ATOM 0 HA THR A 60 7.624 -1.333 -1.876 1.00 0.00 H new ATOM 0 HB THR A 60 10.184 0.010 -2.617 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.979 0.965 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.849 -1.125 -4.789 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.895 -2.264 -3.422 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.338 -1.830 -4.166 1.00 0.00 H new ATOM 806 N LYS A 61 9.120 -1.385 0.595 1.00 0.00 N ATOM 807 CA LYS A 61 9.959 -2.052 1.589 1.00 0.00 C ATOM 808 C LYS A 61 9.135 -2.769 2.653 1.00 0.00 C ATOM 809 O LYS A 61 9.220 -3.989 2.799 1.00 0.00 O ATOM 810 CB LYS A 61 10.899 -1.040 2.262 1.00 0.00 C ATOM 811 CG LYS A 61 10.271 0.330 2.510 1.00 0.00 C ATOM 812 CD LYS A 61 9.991 0.570 3.990 1.00 0.00 C ATOM 813 CE LYS A 61 10.439 1.953 4.432 1.00 0.00 C ATOM 814 NZ LYS A 61 11.646 1.896 5.301 1.00 0.00 N ATOM 0 H LYS A 61 8.314 -0.894 0.982 1.00 0.00 H new ATOM 0 HA LYS A 61 10.544 -2.803 1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.235 -1.451 3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.785 -0.914 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.937 1.107 2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.341 0.410 1.947 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.924 0.455 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.505 -0.186 4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.653 2.563 3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.627 2.442 4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.919 2.860 5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.435 1.336 6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.429 1.452 4.779 1.00 0.00 H new ATOM 828 N ARG A 62 8.361 -2.007 3.413 1.00 0.00 N ATOM 829 CA ARG A 62 7.551 -2.571 4.484 1.00 0.00 C ATOM 830 C ARG A 62 6.254 -3.183 3.959 1.00 0.00 C ATOM 831 O ARG A 62 5.666 -4.047 4.610 1.00 0.00 O ATOM 832 CB ARG A 62 7.247 -1.501 5.535 1.00 0.00 C ATOM 833 CG ARG A 62 7.842 -1.806 6.904 1.00 0.00 C ATOM 834 CD ARG A 62 6.764 -2.100 7.937 1.00 0.00 C ATOM 835 NE ARG A 62 6.920 -3.426 8.530 1.00 0.00 N ATOM 836 CZ ARG A 62 6.099 -3.930 9.448 1.00 0.00 C ATOM 837 NH1 ARG A 62 5.063 -3.223 9.882 1.00 0.00 N ATOM 838 NH2 ARG A 62 6.314 -5.145 9.935 1.00 0.00 N ATOM 0 H ARG A 62 8.277 -0.996 3.308 1.00 0.00 H new ATOM 0 HA ARG A 62 8.127 -3.374 4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.630 -0.542 5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.166 -1.396 5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.513 -2.661 6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.442 -0.959 7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.800 -1.345 8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.783 -2.026 7.468 1.00 0.00 H new ATOM 0 HE ARG A 62 7.705 -4.000 8.222 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.893 -2.288 9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.437 -3.615 10.586 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.109 -5.693 9.606 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.685 -5.531 10.639 1.00 0.00 H new ATOM 852 N LEU A 63 5.803 -2.740 2.789 1.00 0.00 N ATOM 853 CA LEU A 63 4.571 -3.268 2.216 1.00 0.00 C ATOM 854 C LEU A 63 4.795 -4.654 1.629 1.00 0.00 C ATOM 855 O LEU A 63 4.128 -5.608 2.016 1.00 0.00 O ATOM 856 CB LEU A 63 4.008 -2.320 1.151 1.00 0.00 C ATOM 857 CG LEU A 63 2.690 -2.748 0.464 1.00 0.00 C ATOM 858 CD1 LEU A 63 2.062 -3.986 1.107 1.00 0.00 C ATOM 859 CD2 LEU A 63 1.696 -1.597 0.477 1.00 0.00 C ATOM 0 H LEU A 63 6.266 -2.026 2.226 1.00 0.00 H new ATOM 0 HA LEU A 63 3.840 -3.350 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.850 -1.346 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.766 -2.187 0.379 1.00 0.00 H new ATOM 0 HG LEU A 63 2.939 -3.012 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.140 -4.240 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.758 -4.822 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.840 -3.779 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.772 -1.909 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.485 -1.310 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.118 -0.746 -0.058 1.00 0.00 H new ATOM 865 N SER A 64 5.731 -4.768 0.694 1.00 0.00 N ATOM 866 CA SER A 64 6.017 -6.057 0.074 1.00 0.00 C ATOM 867 C SER A 64 6.377 -7.091 1.140 1.00 0.00 C ATOM 868 O SER A 64 5.877 -8.220 1.126 1.00 0.00 O ATOM 869 CB SER A 64 7.148 -5.925 -0.945 1.00 0.00 C ATOM 870 OG SER A 64 7.916 -4.758 -0.711 1.00 0.00 O ATOM 0 H SER A 64 6.299 -3.993 0.351 1.00 0.00 H new ATOM 0 HA SER A 64 5.122 -6.394 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.792 -6.803 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.732 -5.894 -1.952 1.00 0.00 H new ATOM 0 HG SER A 64 8.633 -4.700 -1.376 1.00 0.00 H new ATOM 876 N ASP A 65 7.234 -6.691 2.076 1.00 0.00 N ATOM 877 CA ASP A 65 7.647 -7.578 3.157 1.00 0.00 C ATOM 878 C ASP A 65 6.429 -8.086 3.922 1.00 0.00 C ATOM 879 O ASP A 65 6.319 -9.275 4.217 1.00 0.00 O ATOM 880 CB ASP A 65 8.596 -6.849 4.111 1.00 0.00 C ATOM 881 CG ASP A 65 9.222 -7.783 5.129 1.00 0.00 C ATOM 882 OD1 ASP A 65 8.525 -8.709 5.593 1.00 0.00 O ATOM 883 OD2 ASP A 65 10.410 -7.587 5.461 1.00 0.00 O ATOM 0 H ASP A 65 7.654 -5.762 2.107 1.00 0.00 H new ATOM 0 HA ASP A 65 8.170 -8.430 2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.384 -6.363 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.050 -6.062 4.631 1.00 0.00 H new ATOM 888 N ASP A 66 5.511 -7.174 4.225 1.00 0.00 N ATOM 889 CA ASP A 66 4.290 -7.528 4.942 1.00 0.00 C ATOM 890 C ASP A 66 3.249 -8.113 3.989 1.00 0.00 C ATOM 891 O ASP A 66 2.314 -8.791 4.410 1.00 0.00 O ATOM 892 CB ASP A 66 3.716 -6.298 5.648 1.00 0.00 C ATOM 893 CG ASP A 66 4.273 -6.123 7.047 1.00 0.00 C ATOM 894 OD1 ASP A 66 3.861 -6.882 7.950 1.00 0.00 O ATOM 895 OD2 ASP A 66 5.120 -5.226 7.240 1.00 0.00 O ATOM 0 H ASP A 66 5.589 -6.185 3.986 1.00 0.00 H new ATOM 0 HA ASP A 66 4.541 -8.284 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.936 -5.408 5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.631 -6.386 5.700 1.00 0.00 H new ATOM 900 N ASP A 67 3.422 -7.832 2.701 1.00 0.00 N ATOM 901 CA ASP A 67 2.513 -8.302 1.665 1.00 0.00 C ATOM 902 C ASP A 67 2.518 -9.827 1.551 1.00 0.00 C ATOM 903 O ASP A 67 1.669 -10.404 0.872 1.00 0.00 O ATOM 904 CB ASP A 67 2.896 -7.661 0.326 1.00 0.00 C ATOM 905 CG ASP A 67 2.533 -8.515 -0.877 1.00 0.00 C ATOM 906 OD1 ASP A 67 1.354 -8.905 -0.993 1.00 0.00 O ATOM 907 OD2 ASP A 67 3.429 -8.791 -1.702 1.00 0.00 O ATOM 0 H ASP A 67 4.197 -7.271 2.348 1.00 0.00 H new ATOM 0 HA ASP A 67 1.500 -8.006 1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.400 -6.694 0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.969 -7.470 0.317 1.00 0.00 H new ATOM 912 N ARG A 68 3.469 -10.480 2.217 1.00 0.00 N ATOM 913 CA ARG A 68 3.563 -11.939 2.177 1.00 0.00 C ATOM 914 C ARG A 68 2.186 -12.573 2.330 1.00 0.00 C ATOM 915 O ARG A 68 1.934 -13.663 1.817 1.00 0.00 O ATOM 916 CB ARG A 68 4.506 -12.445 3.269 1.00 0.00 C ATOM 917 CG ARG A 68 5.915 -12.728 2.773 1.00 0.00 C ATOM 918 CD ARG A 68 6.554 -11.488 2.169 1.00 0.00 C ATOM 919 NE ARG A 68 7.493 -11.820 1.100 1.00 0.00 N ATOM 920 CZ ARG A 68 8.738 -12.242 1.311 1.00 0.00 C ATOM 921 NH1 ARG A 68 9.196 -12.386 2.548 1.00 0.00 N ATOM 922 NH2 ARG A 68 9.525 -12.522 0.282 1.00 0.00 N ATOM 0 H ARG A 68 4.182 -10.025 2.788 1.00 0.00 H new ATOM 0 HA ARG A 68 3.968 -12.228 1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.553 -11.705 4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.092 -13.356 3.701 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.527 -13.088 3.600 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.886 -13.523 2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.775 -10.834 1.777 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.075 -10.932 2.949 1.00 0.00 H new ATOM 0 HE ARG A 68 7.176 -11.723 0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.593 -12.173 3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.151 -12.710 2.704 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.177 -12.414 -0.671 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.479 -12.845 0.443 1.00 0.00 H new ATOM 936 N VAL A 69 1.297 -11.870 3.027 1.00 0.00 N ATOM 937 CA VAL A 69 -0.069 -12.339 3.240 1.00 0.00 C ATOM 938 C VAL A 69 -0.636 -13.012 1.994 1.00 0.00 C ATOM 939 O VAL A 69 -1.048 -14.171 2.032 1.00 0.00 O ATOM 940 CB VAL A 69 -1.014 -11.182 3.615 1.00 0.00 C ATOM 941 CG1 VAL A 69 -1.356 -11.224 5.099 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.420 -9.831 3.226 1.00 0.00 C ATOM 0 H VAL A 69 1.501 -10.967 3.456 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.013 -13.057 4.058 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.938 -11.308 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.024 -10.398 5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.847 -12.169 5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.442 -11.135 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.112 -9.036 3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.527 -9.687 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.251 -9.804 2.150 1.00 0.00 H new ATOM 946 N THR A 70 -0.661 -12.268 0.894 1.00 0.00 N ATOM 947 CA THR A 70 -1.185 -12.781 -0.360 1.00 0.00 C ATOM 948 C THR A 70 -0.597 -12.028 -1.548 1.00 0.00 C ATOM 949 O THR A 70 0.306 -12.527 -2.221 1.00 0.00 O ATOM 950 CB THR A 70 -2.706 -12.694 -0.381 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.255 -13.207 0.819 1.00 0.00 O ATOM 952 CG2 THR A 70 -3.333 -13.448 -1.535 1.00 0.00 C ATOM 0 H THR A 70 -0.323 -11.307 0.848 1.00 0.00 H new ATOM 0 HA THR A 70 -0.893 -13.828 -0.441 1.00 0.00 H new ATOM 0 HB THR A 70 -2.933 -11.634 -0.496 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.644 -13.872 1.200 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.417 -13.345 -1.491 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.968 -13.040 -2.477 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.066 -14.503 -1.469 1.00 0.00 H new ATOM 957 N TRP A 71 -1.096 -10.819 -1.798 1.00 0.00 N ATOM 958 CA TRP A 71 -0.588 -10.009 -2.904 1.00 0.00 C ATOM 959 C TRP A 71 -0.708 -8.528 -2.607 1.00 0.00 C ATOM 960 O TRP A 71 -1.623 -8.087 -1.909 1.00 0.00 O ATOM 961 CB TRP A 71 -1.297 -10.340 -4.220 1.00 0.00 C ATOM 962 CG TRP A 71 -2.662 -9.734 -4.345 1.00 0.00 C ATOM 963 CD1 TRP A 71 -3.834 -10.329 -4.012 1.00 0.00 C ATOM 964 CD2 TRP A 71 -2.997 -8.426 -4.835 1.00 0.00 C ATOM 965 NE1 TRP A 71 -4.886 -9.484 -4.271 1.00 0.00 N ATOM 966 CE2 TRP A 71 -4.399 -8.309 -4.774 1.00 0.00 C ATOM 967 CE3 TRP A 71 -2.255 -7.342 -5.320 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -5.073 -7.159 -5.177 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -2.929 -6.200 -5.719 1.00 0.00 C ATOM 970 CH2 TRP A 71 -4.324 -6.118 -5.645 1.00 0.00 C ATOM 0 H TRP A 71 -1.843 -10.382 -1.257 1.00 0.00 H new ATOM 0 HA TRP A 71 0.468 -10.255 -3.014 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.680 -9.995 -5.050 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.381 -11.423 -4.313 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.927 -11.324 -3.602 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.871 -9.698 -4.114 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.178 -7.396 -5.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.150 -7.093 -5.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.368 -5.357 -6.094 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.818 -5.213 -5.965 1.00 0.00 H new ATOM 981 N ALA A 72 0.237 -7.771 -3.139 1.00 0.00 N ATOM 982 CA ALA A 72 0.276 -6.337 -2.939 1.00 0.00 C ATOM 983 C ALA A 72 0.766 -5.611 -4.191 1.00 0.00 C ATOM 984 O ALA A 72 1.929 -5.734 -4.577 1.00 0.00 O ATOM 985 CB ALA A 72 1.169 -6.023 -1.752 1.00 0.00 C ATOM 0 H ALA A 72 0.994 -8.133 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.735 -5.984 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.202 -4.945 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.771 -6.506 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.176 -6.393 -1.946 1.00 0.00 H new ATOM 991 N GLU A 73 -0.127 -4.843 -4.809 1.00 0.00 N ATOM 992 CA GLU A 73 0.211 -4.079 -6.007 1.00 0.00 C ATOM 993 C GLU A 73 -0.342 -2.662 -5.900 1.00 0.00 C ATOM 994 O GLU A 73 -1.311 -2.422 -5.182 1.00 0.00 O ATOM 995 CB GLU A 73 -0.337 -4.766 -7.260 1.00 0.00 C ATOM 996 CG GLU A 73 0.528 -4.562 -8.493 1.00 0.00 C ATOM 997 CD GLU A 73 0.693 -5.831 -9.306 1.00 0.00 C ATOM 998 OE1 GLU A 73 -0.320 -6.522 -9.542 1.00 0.00 O ATOM 999 OE2 GLU A 73 1.838 -6.134 -9.706 1.00 0.00 O ATOM 0 H GLU A 73 -1.093 -4.733 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 73 1.297 -4.030 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.433 -5.834 -7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.339 -4.388 -7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.084 -3.789 -9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.510 -4.200 -8.188 1.00 0.00 H new ATOM 1006 N GLN A 74 0.283 -1.722 -6.603 1.00 0.00 N ATOM 1007 CA GLN A 74 -0.154 -0.331 -6.557 1.00 0.00 C ATOM 1008 C GLN A 74 -0.634 0.161 -7.919 1.00 0.00 C ATOM 1009 O GLN A 74 -0.213 -0.342 -8.961 1.00 0.00 O ATOM 1010 CB GLN A 74 0.979 0.563 -6.049 1.00 0.00 C ATOM 1011 CG GLN A 74 0.603 2.033 -5.950 1.00 0.00 C ATOM 1012 CD GLN A 74 1.558 2.824 -5.078 1.00 0.00 C ATOM 1013 OE1 GLN A 74 1.538 2.711 -3.853 1.00 0.00 O ATOM 1014 NE2 GLN A 74 2.404 3.634 -5.707 1.00 0.00 N ATOM 0 H GLN A 74 1.087 -1.896 -7.206 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.997 -0.277 -5.869 1.00 0.00 H new ATOM 0 HB2 GLN A 74 1.294 0.211 -5.067 1.00 0.00 H new ATOM 0 HB3 GLN A 74 1.836 0.461 -6.714 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.586 2.467 -6.950 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.406 2.119 -5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.387 3.698 -6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.070 4.191 -5.172 1.00 0.00 H new ATOM 1021 N GLN A 75 -1.518 1.157 -7.894 1.00 0.00 N ATOM 1022 CA GLN A 75 -2.061 1.738 -9.117 1.00 0.00 C ATOM 1023 C GLN A 75 -1.292 3.000 -9.492 1.00 0.00 C ATOM 1024 O GLN A 75 -0.821 3.732 -8.619 1.00 0.00 O ATOM 1025 CB GLN A 75 -3.546 2.060 -8.941 1.00 0.00 C ATOM 1026 CG GLN A 75 -4.465 0.899 -9.283 1.00 0.00 C ATOM 1027 CD GLN A 75 -4.930 0.929 -10.725 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -6.079 1.266 -11.012 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -4.037 0.577 -11.643 1.00 0.00 N ATOM 0 H GLN A 75 -1.873 1.579 -7.036 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.954 1.010 -9.921 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.724 2.361 -7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -3.801 2.912 -9.571 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.945 -0.040 -9.092 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -5.333 0.922 -8.625 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.095 0.305 -11.361 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.293 0.579 -12.630 1.00 0.00 H new ATOM 1036 N TYR A 76 -1.155 3.243 -10.791 1.00 0.00 N ATOM 1037 CA TYR A 76 -0.426 4.407 -11.278 1.00 0.00 C ATOM 1038 C TYR A 76 -1.053 4.950 -12.558 1.00 0.00 C ATOM 1039 O TYR A 76 -1.315 6.146 -12.663 1.00 99.99 O ATOM 1040 CB TYR A 76 1.037 4.034 -11.528 1.00 0.00 C ATOM 1041 CG TYR A 76 1.495 2.832 -10.728 1.00 0.00 C ATOM 1042 CD1 TYR A 76 1.935 2.972 -9.420 1.00 0.00 C ATOM 1043 CD2 TYR A 76 1.478 1.559 -11.282 1.00 0.00 C ATOM 1044 CE1 TYR A 76 2.349 1.878 -8.685 1.00 0.00 C ATOM 1045 CE2 TYR A 76 1.890 0.460 -10.554 1.00 0.00 C ATOM 1046 CZ TYR A 76 2.326 0.624 -9.256 1.00 0.00 C ATOM 1047 OH TYR A 76 2.738 -0.468 -8.528 1.00 0.00 O ATOM 0 H TYR A 76 -1.540 2.649 -11.525 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.477 5.187 -10.518 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.176 3.829 -12.590 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.669 4.887 -11.282 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.954 3.953 -8.969 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.137 1.426 -12.298 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.689 2.005 -7.668 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.871 -0.524 -10.999 1.00 0.00 H new ATOM 0 HH TYR A 76 2.658 -1.276 -9.077 1.00 0.00 H new