USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 303 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 485 MET CE :methyl -131:sc= -4.78! (180deg=-5.58!) USER MOD Single : A 490 ASN : amide:sc=-0.00644 K(o=-0.0064,f=-1.6) USER MOD Single : A 498 HIS : no HE2:sc= -3.97! C(o=-4!,f=-6.3!) USER MOD Single : A 499 ASN : amide:sc= 1.22 K(o=1.2,f=-0.21) USER MOD Single : A 500 THR OG1 : rot 105:sc= 1.15 USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 43:sc= -0.736 USER MOD Single : A 504 THR OG1 : rot -115:sc= 1.23 USER MOD Single : B 931 TYR OH : rot 180:sc= 0 USER MOD Single : B 933 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 479 -9.703 6.898 0.433 1.00 15.00 N ATOM 22 CA LEU A 479 -8.762 6.635 1.511 1.00 15.00 C ATOM 23 C LEU A 479 -7.877 7.862 1.756 1.00 15.00 C ATOM 24 O LEU A 479 -7.429 8.511 0.805 1.00 15.00 O ATOM 25 CB LEU A 479 -7.903 5.385 1.202 1.00 15.00 C ATOM 26 CG LEU A 479 -6.836 5.523 0.102 1.00 15.00 C ATOM 27 CD1 LEU A 479 -6.037 4.234 -0.027 1.00 15.00 C ATOM 28 CD2 LEU A 479 -7.462 5.864 -1.239 1.00 15.00 C ATOM 0 HA LEU A 479 -9.328 6.433 2.420 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.403 5.082 2.122 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -8.575 4.574 0.922 1.00 15.00 H new ATOM 0 HG LEU A 479 -6.172 6.337 0.391 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -5.286 4.348 -0.809 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -5.544 4.015 0.920 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -6.708 3.414 -0.284 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -6.680 5.954 -1.993 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -8.156 5.074 -1.528 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -8.000 6.809 -1.160 1.00 15.00 H new ATOM 40 N PRO A 480 -7.660 8.197 3.046 1.00 15.00 N ATOM 41 CA PRO A 480 -6.811 9.313 3.504 1.00 15.00 C ATOM 42 C PRO A 480 -5.624 9.634 2.587 1.00 15.00 C ATOM 43 O PRO A 480 -4.972 8.734 2.067 1.00 15.00 O ATOM 44 CB PRO A 480 -6.318 8.751 4.824 1.00 15.00 C ATOM 45 CG PRO A 480 -7.522 8.086 5.388 1.00 15.00 C ATOM 46 CD PRO A 480 -8.248 7.491 4.205 1.00 15.00 C ATOM 0 HA PRO A 480 -7.351 10.259 3.543 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.500 8.045 4.680 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -5.948 9.537 5.482 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -7.244 7.314 6.106 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -8.153 8.800 5.917 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -8.093 6.414 4.139 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -9.324 7.655 4.271 1.00 15.00 H new ATOM 54 N PRO A 481 -5.305 10.932 2.424 1.00 15.00 N ATOM 55 CA PRO A 481 -4.230 11.391 1.525 1.00 15.00 C ATOM 56 C PRO A 481 -2.820 11.002 1.994 1.00 15.00 C ATOM 57 O PRO A 481 -1.830 11.364 1.363 1.00 15.00 O ATOM 58 CB PRO A 481 -4.392 12.912 1.524 1.00 15.00 C ATOM 59 CG PRO A 481 -5.079 13.225 2.806 1.00 15.00 C ATOM 60 CD PRO A 481 -5.980 12.058 3.092 1.00 15.00 C ATOM 0 HA PRO A 481 -4.319 10.929 0.542 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -3.426 13.412 1.461 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -4.980 13.246 0.669 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -4.357 13.366 3.610 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -5.652 14.149 2.726 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.085 11.885 4.163 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -6.982 12.218 2.695 1.00 15.00 H new ATOM 68 N GLY A 482 -2.731 10.295 3.114 1.00 15.00 N ATOM 69 CA GLY A 482 -1.460 9.722 3.528 1.00 15.00 C ATOM 70 C GLY A 482 -1.415 8.250 3.221 1.00 15.00 C ATOM 71 O GLY A 482 -0.415 7.581 3.475 1.00 15.00 O ATOM 0 H GLY A 482 -3.512 10.107 3.743 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -0.643 10.230 3.017 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.315 9.880 4.597 1.00 15.00 H new ATOM 75 N TRP A 483 -2.518 7.755 2.690 1.00 15.00 N ATOM 76 CA TRP A 483 -2.621 6.376 2.274 1.00 15.00 C ATOM 77 C TRP A 483 -2.418 6.286 0.778 1.00 15.00 C ATOM 78 O TRP A 483 -3.271 6.687 -0.015 1.00 15.00 O ATOM 79 CB TRP A 483 -3.966 5.780 2.686 1.00 15.00 C ATOM 80 CG TRP A 483 -4.019 5.431 4.138 1.00 15.00 C ATOM 81 CD1 TRP A 483 -3.984 6.293 5.195 1.00 15.00 C ATOM 82 CD2 TRP A 483 -4.101 4.117 4.691 1.00 15.00 C ATOM 83 NE1 TRP A 483 -4.035 5.592 6.374 1.00 15.00 N ATOM 84 CE2 TRP A 483 -4.109 4.251 6.090 1.00 15.00 C ATOM 85 CE3 TRP A 483 -4.167 2.839 4.133 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -4.178 3.148 6.940 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -4.234 1.750 4.977 1.00 15.00 C ATOM 88 CH2 TRP A 483 -4.238 1.909 6.366 1.00 15.00 C ATOM 0 H TRP A 483 -3.366 8.301 2.537 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.844 5.794 2.771 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.760 6.491 2.458 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.160 4.886 2.094 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -3.925 7.368 5.116 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -4.020 6.001 7.308 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -4.166 2.706 3.061 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -4.184 3.268 8.013 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -4.284 0.756 4.557 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -4.290 1.035 6.998 1.00 15.00 H new ATOM 99 N GLU A 484 -1.260 5.786 0.416 1.00 15.00 N ATOM 100 CA GLU A 484 -0.817 5.759 -0.957 1.00 15.00 C ATOM 101 C GLU A 484 -0.959 4.367 -1.533 1.00 15.00 C ATOM 102 O GLU A 484 -0.460 3.407 -0.976 1.00 15.00 O ATOM 103 CB GLU A 484 0.632 6.192 -1.022 1.00 15.00 C ATOM 104 CG GLU A 484 0.838 7.492 -1.758 1.00 15.00 C ATOM 105 CD GLU A 484 0.229 8.678 -1.035 1.00 15.00 C ATOM 106 OE1 GLU A 484 0.838 9.141 -0.047 1.00 15.00 O ATOM 107 OE2 GLU A 484 -0.847 9.150 -1.455 1.00 15.00 O1- ATOM 0 H GLU A 484 -0.593 5.383 1.073 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.434 6.441 -1.542 1.00 15.00 H new ATOM 0 HB2 GLU A 484 1.019 6.292 -0.008 1.00 15.00 H new ATOM 0 HB3 GLU A 484 1.215 5.411 -1.510 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.906 7.663 -1.892 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.400 7.415 -2.753 1.00 15.00 H new ATOM 114 N MET A 485 -1.586 4.264 -2.675 1.00 15.00 N ATOM 115 CA MET A 485 -1.942 2.959 -3.200 1.00 15.00 C ATOM 116 C MET A 485 -1.360 2.751 -4.599 1.00 15.00 C ATOM 117 O MET A 485 -1.635 3.507 -5.533 1.00 15.00 O ATOM 118 CB MET A 485 -3.474 2.766 -3.161 1.00 15.00 C ATOM 119 CG MET A 485 -4.274 3.471 -4.254 1.00 15.00 C ATOM 120 SD MET A 485 -3.867 5.220 -4.473 1.00 15.00 S ATOM 121 CE MET A 485 -4.402 5.911 -2.912 1.00 15.00 C ATOM 0 H MET A 485 -1.861 5.054 -3.259 1.00 15.00 H new ATOM 0 HA MET A 485 -1.501 2.190 -2.565 1.00 15.00 H new ATOM 0 HB2 MET A 485 -3.686 1.698 -3.217 1.00 15.00 H new ATOM 0 HB3 MET A 485 -3.838 3.112 -2.194 1.00 15.00 H new ATOM 0 HG2 MET A 485 -4.110 2.952 -5.198 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.336 3.384 -4.023 1.00 15.00 H new ATOM 0 HE1 MET A 485 -5.020 6.790 -3.096 1.00 15.00 H new ATOM 0 HE2 MET A 485 -4.982 5.168 -2.365 1.00 15.00 H new ATOM 0 HE3 MET A 485 -3.531 6.197 -2.323 1.00 15.00 H new ATOM 131 N ARG A 486 -0.519 1.737 -4.727 1.00 15.00 N ATOM 132 CA ARG A 486 0.093 1.410 -6.004 1.00 15.00 C ATOM 133 C ARG A 486 0.031 -0.096 -6.213 1.00 15.00 C ATOM 134 O ARG A 486 0.066 -0.865 -5.250 1.00 15.00 O ATOM 135 CB ARG A 486 1.537 1.928 -6.068 1.00 15.00 C ATOM 136 CG ARG A 486 2.544 1.105 -5.279 1.00 15.00 C ATOM 137 CD ARG A 486 3.432 0.280 -6.204 1.00 15.00 C ATOM 138 NE ARG A 486 4.184 1.134 -7.121 1.00 15.00 N ATOM 139 CZ ARG A 486 4.088 1.079 -8.447 1.00 15.00 C ATOM 140 NH1 ARG A 486 3.377 0.120 -9.034 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 4.735 1.962 -9.187 1.00 15.00 N ATOM 0 H ARG A 486 -0.244 1.125 -3.959 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.457 1.901 -6.807 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.851 1.959 -7.111 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.557 2.953 -5.699 1.00 15.00 H new ATOM 0 HG2 ARG A 486 3.162 1.767 -4.673 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.017 0.443 -4.592 1.00 15.00 H new ATOM 0 HD2 ARG A 486 4.124 -0.317 -5.610 1.00 15.00 H new ATOM 0 HD3 ARG A 486 2.818 -0.417 -6.774 1.00 15.00 H new ATOM 0 HE ARG A 486 4.825 1.817 -6.718 1.00 15.00 H new ATOM 0 HH11 ARG A 486 2.900 -0.581 -8.467 1.00 15.00 H new ATOM 0 HH12 ARG A 486 3.309 0.086 -10.051 1.00 15.00 H new ATOM 0 HH21 ARG A 486 5.305 2.681 -8.741 1.00 15.00 H new ATOM 0 HH22 ARG A 486 4.665 1.924 -10.204 1.00 15.00 H new ATOM 155 N ILE A 487 -0.046 -0.513 -7.461 1.00 15.00 N ATOM 156 CA ILE A 487 -0.328 -1.905 -7.768 1.00 15.00 C ATOM 157 C ILE A 487 0.947 -2.729 -7.981 1.00 15.00 C ATOM 158 O ILE A 487 1.936 -2.257 -8.545 1.00 15.00 O ATOM 159 CB ILE A 487 -1.333 -2.022 -8.959 1.00 15.00 C ATOM 160 CG1 ILE A 487 -1.204 -3.349 -9.731 1.00 15.00 C ATOM 161 CG2 ILE A 487 -1.204 -0.834 -9.895 1.00 15.00 C ATOM 162 CD1 ILE A 487 -0.234 -3.310 -10.900 1.00 15.00 C ATOM 0 H ILE A 487 0.082 0.087 -8.276 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.812 -2.342 -6.895 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.331 -2.017 -8.522 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.886 -4.128 -9.038 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -2.188 -3.635 -10.102 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -1.914 -0.939 -10.716 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -1.415 0.085 -9.348 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -0.191 -0.794 -10.295 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -0.208 -4.286 -11.384 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -0.560 -2.558 -11.618 1.00 15.00 H new ATOM 0 HD13 ILE A 487 0.763 -3.058 -10.538 1.00 15.00 H new ATOM 174 N ALA A 488 0.890 -3.955 -7.471 1.00 15.00 N ATOM 175 CA ALA A 488 1.949 -4.939 -7.574 1.00 15.00 C ATOM 176 C ALA A 488 1.742 -5.757 -8.843 1.00 15.00 C ATOM 177 O ALA A 488 0.602 -5.930 -9.268 1.00 15.00 O ATOM 178 CB ALA A 488 1.930 -5.847 -6.350 1.00 15.00 C ATOM 0 H ALA A 488 0.077 -4.297 -6.959 1.00 15.00 H new ATOM 0 HA ALA A 488 2.917 -4.440 -7.620 1.00 15.00 H new ATOM 0 HB1 ALA A 488 2.728 -6.585 -6.432 1.00 15.00 H new ATOM 0 HB2 ALA A 488 2.080 -5.249 -5.451 1.00 15.00 H new ATOM 0 HB3 ALA A 488 0.969 -6.357 -6.290 1.00 15.00 H new ATOM 184 N PRO A 489 2.824 -6.267 -9.465 1.00 15.00 N ATOM 185 CA PRO A 489 2.754 -6.990 -10.754 1.00 15.00 C ATOM 186 C PRO A 489 1.782 -8.183 -10.766 1.00 15.00 C ATOM 187 O PRO A 489 1.537 -8.774 -11.817 1.00 15.00 O ATOM 188 CB PRO A 489 4.191 -7.478 -10.967 1.00 15.00 C ATOM 189 CG PRO A 489 5.031 -6.540 -10.176 1.00 15.00 C ATOM 190 CD PRO A 489 4.211 -6.165 -8.974 1.00 15.00 C ATOM 0 HA PRO A 489 2.372 -6.336 -11.537 1.00 15.00 H new ATOM 0 HB2 PRO A 489 4.315 -8.505 -10.624 1.00 15.00 H new ATOM 0 HB3 PRO A 489 4.463 -7.459 -12.022 1.00 15.00 H new ATOM 0 HG2 PRO A 489 5.968 -7.011 -9.878 1.00 15.00 H new ATOM 0 HG3 PRO A 489 5.290 -5.658 -10.762 1.00 15.00 H new ATOM 0 HD2 PRO A 489 4.392 -6.839 -8.137 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.442 -5.158 -8.628 1.00 15.00 H new ATOM 198 N ASN A 490 1.242 -8.544 -9.607 1.00 15.00 N ATOM 199 CA ASN A 490 0.267 -9.633 -9.523 1.00 15.00 C ATOM 200 C ASN A 490 -1.160 -9.089 -9.520 1.00 15.00 C ATOM 201 O ASN A 490 -2.123 -9.851 -9.430 1.00 15.00 O ATOM 202 CB ASN A 490 0.502 -10.488 -8.271 1.00 15.00 C ATOM 203 CG ASN A 490 1.740 -11.364 -8.378 1.00 15.00 C ATOM 204 OD1 ASN A 490 2.719 -11.004 -9.030 1.00 15.00 O ATOM 205 ND2 ASN A 490 1.705 -12.527 -7.743 1.00 15.00 N ATOM 0 H ASN A 490 1.460 -8.102 -8.714 1.00 15.00 H new ATOM 0 HA ASN A 490 0.400 -10.261 -10.404 1.00 15.00 H new ATOM 0 HB2 ASN A 490 0.599 -9.835 -7.404 1.00 15.00 H new ATOM 0 HB3 ASN A 490 -0.370 -11.119 -8.099 1.00 15.00 H new ATOM 0 HD21 ASN A 490 2.507 -13.156 -7.786 1.00 15.00 H new ATOM 0 HD22 ASN A 490 0.876 -12.793 -7.212 1.00 15.00 H new ATOM 212 N GLY A 491 -1.291 -7.772 -9.635 1.00 15.00 N ATOM 213 CA GLY A 491 -2.604 -7.150 -9.640 1.00 15.00 C ATOM 214 C GLY A 491 -3.043 -6.731 -8.251 1.00 15.00 C ATOM 215 O GLY A 491 -4.223 -6.803 -7.916 1.00 15.00 O ATOM 0 H GLY A 491 -0.510 -7.122 -9.725 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -2.589 -6.278 -10.293 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -3.333 -7.846 -10.055 1.00 15.00 H new ATOM 219 N ARG A 492 -2.091 -6.282 -7.445 1.00 15.00 N ATOM 220 CA ARG A 492 -2.365 -5.924 -6.057 1.00 15.00 C ATOM 221 C ARG A 492 -2.092 -4.450 -5.782 1.00 15.00 C ATOM 222 O ARG A 492 -0.956 -4.022 -5.808 1.00 15.00 O ATOM 223 CB ARG A 492 -1.493 -6.761 -5.113 1.00 15.00 C ATOM 224 CG ARG A 492 -1.223 -6.086 -3.782 1.00 15.00 C ATOM 225 CD ARG A 492 -2.205 -6.519 -2.701 1.00 15.00 C ATOM 226 NE ARG A 492 -3.516 -5.889 -2.868 1.00 15.00 N ATOM 227 CZ ARG A 492 -4.674 -6.489 -2.587 1.00 15.00 C ATOM 228 NH1 ARG A 492 -4.684 -7.729 -2.117 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 -5.820 -5.838 -2.762 1.00 15.00 N ATOM 0 H ARG A 492 -1.119 -6.156 -7.728 1.00 15.00 H new ATOM 0 HA ARG A 492 -3.422 -6.123 -5.882 1.00 15.00 H new ATOM 0 HB2 ARG A 492 -1.981 -7.719 -4.933 1.00 15.00 H new ATOM 0 HB3 ARG A 492 -0.543 -6.975 -5.603 1.00 15.00 H new ATOM 0 HG2 ARG A 492 -0.208 -6.317 -3.460 1.00 15.00 H new ATOM 0 HG3 ARG A 492 -1.279 -5.005 -3.908 1.00 15.00 H new ATOM 0 HD2 ARG A 492 -2.318 -7.603 -2.726 1.00 15.00 H new ATOM 0 HD3 ARG A 492 -1.802 -6.263 -1.721 1.00 15.00 H new ATOM 0 HE ARG A 492 -3.546 -4.932 -3.221 1.00 15.00 H new ATOM 0 HH11 ARG A 492 -3.805 -8.226 -1.970 1.00 15.00 H new ATOM 0 HH12 ARG A 492 -5.570 -8.186 -1.903 1.00 15.00 H new ATOM 0 HH21 ARG A 492 -5.814 -4.880 -3.111 1.00 15.00 H new ATOM 0 HH22 ARG A 492 -6.705 -6.297 -2.547 1.00 15.00 H new ATOM 243 N PRO A 493 -3.106 -3.655 -5.477 1.00 15.00 N ATOM 244 CA PRO A 493 -2.886 -2.311 -4.989 1.00 15.00 C ATOM 245 C PRO A 493 -2.770 -2.312 -3.469 1.00 15.00 C ATOM 246 O PRO A 493 -3.753 -2.526 -2.759 1.00 15.00 O ATOM 247 CB PRO A 493 -4.140 -1.546 -5.445 1.00 15.00 C ATOM 248 CG PRO A 493 -5.064 -2.573 -6.042 1.00 15.00 C ATOM 249 CD PRO A 493 -4.524 -3.928 -5.667 1.00 15.00 C ATOM 0 HA PRO A 493 -1.965 -1.864 -5.364 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -4.613 -1.038 -4.605 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -3.884 -0.780 -6.177 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -6.078 -2.445 -5.664 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -5.112 -2.464 -7.125 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -4.989 -4.314 -4.760 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -4.695 -4.665 -6.452 1.00 15.00 H new ATOM 257 N PHE A 494 -1.542 -2.169 -2.983 1.00 15.00 N ATOM 258 CA PHE A 494 -1.282 -2.155 -1.552 1.00 15.00 C ATOM 259 C PHE A 494 -1.323 -0.730 -1.028 1.00 15.00 C ATOM 260 O PHE A 494 -1.011 0.219 -1.752 1.00 15.00 O ATOM 261 CB PHE A 494 0.051 -2.843 -1.197 1.00 15.00 C ATOM 262 CG PHE A 494 1.278 -2.319 -1.902 1.00 15.00 C ATOM 263 CD1 PHE A 494 1.686 -1.001 -1.755 1.00 15.00 C ATOM 264 CD2 PHE A 494 2.041 -3.163 -2.691 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.824 -0.536 -2.385 1.00 15.00 C ATOM 266 CE2 PHE A 494 3.183 -2.707 -3.318 1.00 15.00 C ATOM 267 CZ PHE A 494 3.575 -1.393 -3.167 1.00 15.00 C ATOM 0 H PHE A 494 -0.710 -2.061 -3.563 1.00 15.00 H new ATOM 0 HA PHE A 494 -2.069 -2.731 -1.064 1.00 15.00 H new ATOM 0 HB2 PHE A 494 0.208 -2.752 -0.122 1.00 15.00 H new ATOM 0 HB3 PHE A 494 -0.043 -3.906 -1.417 1.00 15.00 H new ATOM 0 HD1 PHE A 494 1.106 -0.329 -1.140 1.00 15.00 H new ATOM 0 HD2 PHE A 494 1.739 -4.192 -2.818 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.126 0.494 -2.267 1.00 15.00 H new ATOM 0 HE2 PHE A 494 3.770 -3.379 -3.927 1.00 15.00 H new ATOM 0 HZ PHE A 494 4.467 -1.035 -3.659 1.00 15.00 H new ATOM 277 N PHE A 495 -1.711 -0.588 0.224 1.00 15.00 N ATOM 278 CA PHE A 495 -1.947 0.719 0.797 1.00 15.00 C ATOM 279 C PHE A 495 -0.862 1.084 1.801 1.00 15.00 C ATOM 280 O PHE A 495 -0.739 0.479 2.866 1.00 15.00 O ATOM 281 CB PHE A 495 -3.328 0.750 1.441 1.00 15.00 C ATOM 282 CG PHE A 495 -4.384 0.148 0.559 1.00 15.00 C ATOM 283 CD1 PHE A 495 -4.922 0.870 -0.491 1.00 15.00 C ATOM 284 CD2 PHE A 495 -4.820 -1.150 0.769 1.00 15.00 C ATOM 285 CE1 PHE A 495 -5.877 0.310 -1.317 1.00 15.00 C ATOM 286 CE2 PHE A 495 -5.775 -1.715 -0.049 1.00 15.00 C ATOM 287 CZ PHE A 495 -6.305 -0.984 -1.095 1.00 15.00 C ATOM 0 H PHE A 495 -1.870 -1.366 0.865 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.912 1.464 0.003 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -3.297 0.210 2.387 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.595 1.781 1.672 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -4.592 1.883 -0.667 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -4.407 -1.726 1.584 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -6.288 0.883 -2.135 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -6.108 -2.727 0.127 1.00 15.00 H new ATOM 0 HZ PHE A 495 -7.053 -1.424 -1.738 1.00 15.00 H new ATOM 297 N ILE A 496 -0.068 2.066 1.420 1.00 15.00 N ATOM 298 CA ILE A 496 1.031 2.556 2.223 1.00 15.00 C ATOM 299 C ILE A 496 0.613 3.784 2.992 1.00 15.00 C ATOM 300 O ILE A 496 0.456 4.852 2.408 1.00 15.00 O ATOM 301 CB ILE A 496 2.248 2.937 1.346 1.00 15.00 C ATOM 302 CG1 ILE A 496 2.659 1.760 0.461 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.411 3.373 2.228 1.00 15.00 C ATOM 304 CD1 ILE A 496 3.948 1.984 -0.298 1.00 15.00 C ATOM 0 H ILE A 496 -0.172 2.552 0.529 1.00 15.00 H new ATOM 0 HA ILE A 496 1.310 1.752 2.904 1.00 15.00 H new ATOM 0 HB ILE A 496 1.968 3.769 0.700 1.00 15.00 H new ATOM 0 HG12 ILE A 496 2.765 0.871 1.082 1.00 15.00 H new ATOM 0 HG13 ILE A 496 1.860 1.558 -0.252 1.00 15.00 H new ATOM 0 HG21 ILE A 496 4.263 3.639 1.602 1.00 15.00 H new ATOM 0 HG22 ILE A 496 3.113 4.237 2.822 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.690 2.555 2.892 1.00 15.00 H new ATOM 0 HD11 ILE A 496 4.172 1.105 -0.902 1.00 15.00 H new ATOM 0 HD12 ILE A 496 3.842 2.853 -0.947 1.00 15.00 H new ATOM 0 HD13 ILE A 496 4.761 2.155 0.408 1.00 15.00 H new ATOM 316 N ASP A 497 0.427 3.656 4.287 1.00 15.00 N ATOM 317 CA ASP A 497 0.180 4.833 5.071 1.00 15.00 C ATOM 318 C ASP A 497 1.456 5.414 5.569 1.00 15.00 C ATOM 319 O ASP A 497 2.275 4.788 6.244 1.00 15.00 O ATOM 320 CB ASP A 497 -0.806 4.650 6.191 1.00 15.00 C ATOM 321 CG ASP A 497 -0.406 5.379 7.454 1.00 15.00 C ATOM 322 OD1 ASP A 497 -0.604 6.612 7.517 1.00 15.00 O1- ATOM 323 OD2 ASP A 497 0.123 4.736 8.373 1.00 15.00 O ATOM 0 H ASP A 497 0.442 2.776 4.802 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.297 5.537 4.389 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -1.785 5.004 5.868 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -0.908 3.587 6.408 1.00 15.00 H new ATOM 328 N HIS A 498 1.586 6.631 5.187 1.00 15.00 N ATOM 329 CA HIS A 498 2.813 7.371 5.345 1.00 15.00 C ATOM 330 C HIS A 498 2.991 7.933 6.750 1.00 15.00 C ATOM 331 O HIS A 498 4.065 8.433 7.080 1.00 15.00 O ATOM 332 CB HIS A 498 2.926 8.430 4.253 1.00 15.00 C ATOM 333 CG HIS A 498 3.180 7.798 2.913 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.441 7.438 2.491 1.00 15.00 N ATOM 335 CD2 HIS A 498 2.332 7.389 1.932 1.00 15.00 C ATOM 336 CE1 HIS A 498 4.362 6.841 1.321 1.00 15.00 C ATOM 337 NE2 HIS A 498 3.096 6.799 0.954 1.00 15.00 N ATOM 0 H HIS A 498 0.836 7.164 4.746 1.00 15.00 H new ATOM 0 HA HIS A 498 3.645 6.678 5.223 1.00 15.00 H new ATOM 0 HB2 HIS A 498 2.008 9.017 4.214 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.735 9.120 4.493 1.00 15.00 H new ATOM 0 HD1 HIS A 498 5.304 7.608 3.007 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.258 7.506 1.923 1.00 15.00 H new ATOM 0 HE1 HIS A 498 5.195 6.450 0.755 1.00 15.00 H new ATOM 346 N ASN A 499 1.950 7.861 7.579 1.00 15.00 N ATOM 347 CA ASN A 499 2.045 8.408 8.924 1.00 15.00 C ATOM 348 C ASN A 499 2.765 7.429 9.821 1.00 15.00 C ATOM 349 O ASN A 499 3.706 7.776 10.534 1.00 15.00 O ATOM 350 CB ASN A 499 0.651 8.647 9.509 1.00 15.00 C ATOM 351 CG ASN A 499 -0.155 9.689 8.753 1.00 15.00 C ATOM 352 OD1 ASN A 499 -0.096 10.881 9.051 1.00 15.00 O ATOM 353 ND2 ASN A 499 -0.922 9.239 7.769 1.00 15.00 N ATOM 0 H ASN A 499 1.051 7.438 7.347 1.00 15.00 H new ATOM 0 HA ASN A 499 2.588 9.352 8.868 1.00 15.00 H new ATOM 0 HB2 ASN A 499 0.101 7.706 9.512 1.00 15.00 H new ATOM 0 HB3 ASN A 499 0.751 8.961 10.548 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.491 9.890 7.228 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.943 8.242 7.553 1.00 15.00 H new ATOM 360 N THR A 500 2.290 6.199 9.785 1.00 15.00 N ATOM 361 CA THR A 500 2.891 5.117 10.524 1.00 15.00 C ATOM 362 C THR A 500 4.112 4.542 9.805 1.00 15.00 C ATOM 363 O THR A 500 4.803 3.693 10.357 1.00 15.00 O ATOM 364 CB THR A 500 1.866 4.021 10.838 1.00 15.00 C ATOM 365 OG1 THR A 500 0.538 4.567 10.819 1.00 15.00 O ATOM 366 CG2 THR A 500 2.129 3.475 12.215 1.00 15.00 C ATOM 0 H THR A 500 1.473 5.926 9.239 1.00 15.00 H new ATOM 0 HA THR A 500 3.240 5.531 11.470 1.00 15.00 H new ATOM 0 HB THR A 500 1.953 3.234 10.089 1.00 15.00 H new ATOM 0 HG1 THR A 500 0.081 4.287 9.999 1.00 15.00 H new ATOM 0 HG21 THR A 500 1.402 2.695 12.442 1.00 15.00 H new ATOM 0 HG22 THR A 500 3.135 3.056 12.254 1.00 15.00 H new ATOM 0 HG23 THR A 500 2.041 4.277 12.947 1.00 15.00 H new ATOM 374 N LYS A 501 4.306 4.973 8.547 1.00 15.00 N ATOM 375 CA LYS A 501 5.377 4.495 7.644 1.00 15.00 C ATOM 376 C LYS A 501 5.233 2.999 7.357 1.00 15.00 C ATOM 377 O LYS A 501 6.204 2.313 7.027 1.00 15.00 O ATOM 378 CB LYS A 501 6.806 4.818 8.157 1.00 15.00 C ATOM 379 CG LYS A 501 7.308 3.947 9.303 1.00 15.00 C ATOM 380 CD LYS A 501 8.820 3.997 9.445 1.00 15.00 C ATOM 381 CE LYS A 501 9.508 3.227 8.330 1.00 15.00 C ATOM 382 NZ LYS A 501 10.978 3.154 8.532 1.00 15.00 N1+ ATOM 0 H LYS A 501 3.711 5.680 8.116 1.00 15.00 H new ATOM 0 HA LYS A 501 5.250 5.047 6.713 1.00 15.00 H new ATOM 0 HB2 LYS A 501 7.501 4.726 7.323 1.00 15.00 H new ATOM 0 HB3 LYS A 501 6.830 5.859 8.478 1.00 15.00 H new ATOM 0 HG2 LYS A 501 6.847 4.275 10.235 1.00 15.00 H new ATOM 0 HG3 LYS A 501 6.995 2.916 9.137 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.154 5.035 9.432 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.110 3.580 10.410 1.00 15.00 H new ATOM 0 HE2 LYS A 501 9.098 2.218 8.279 1.00 15.00 H new ATOM 0 HE3 LYS A 501 9.296 3.706 7.374 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 11.410 2.621 7.750 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 11.373 4.116 8.555 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 11.181 2.674 9.432 1.00 15.00 H new ATOM 396 N THR A 502 4.003 2.519 7.405 1.00 15.00 N ATOM 397 CA THR A 502 3.726 1.113 7.179 1.00 15.00 C ATOM 398 C THR A 502 2.787 0.928 5.993 1.00 15.00 C ATOM 399 O THR A 502 1.968 1.792 5.690 1.00 15.00 O ATOM 400 CB THR A 502 3.125 0.451 8.438 1.00 15.00 C ATOM 401 OG1 THR A 502 2.899 -0.946 8.218 1.00 15.00 O ATOM 402 CG2 THR A 502 1.822 1.121 8.846 1.00 15.00 C ATOM 0 H THR A 502 3.177 3.086 7.599 1.00 15.00 H new ATOM 0 HA THR A 502 4.674 0.625 6.954 1.00 15.00 H new ATOM 0 HB THR A 502 3.846 0.574 9.246 1.00 15.00 H new ATOM 0 HG1 THR A 502 2.520 -1.347 9.028 1.00 15.00 H new ATOM 0 HG21 THR A 502 1.424 0.632 9.735 1.00 15.00 H new ATOM 0 HG22 THR A 502 2.006 2.173 9.062 1.00 15.00 H new ATOM 0 HG23 THR A 502 1.100 1.039 8.033 1.00 15.00 H new ATOM 410 N THR A 503 2.928 -0.193 5.316 1.00 15.00 N ATOM 411 CA THR A 503 2.083 -0.506 4.176 1.00 15.00 C ATOM 412 C THR A 503 1.409 -1.856 4.371 1.00 15.00 C ATOM 413 O THR A 503 2.042 -2.827 4.793 1.00 15.00 O ATOM 414 CB THR A 503 2.857 -0.462 2.834 1.00 15.00 C ATOM 415 OG1 THR A 503 2.077 -1.056 1.789 1.00 15.00 O ATOM 416 CG2 THR A 503 4.214 -1.150 2.912 1.00 15.00 C ATOM 0 H THR A 503 3.623 -0.907 5.535 1.00 15.00 H new ATOM 0 HA THR A 503 1.317 0.267 4.120 1.00 15.00 H new ATOM 0 HB THR A 503 3.037 0.590 2.613 1.00 15.00 H new ATOM 0 HG1 THR A 503 1.146 -0.761 1.868 1.00 15.00 H new ATOM 0 HG21 THR A 503 4.710 -1.088 1.943 1.00 15.00 H new ATOM 0 HG22 THR A 503 4.828 -0.659 3.666 1.00 15.00 H new ATOM 0 HG23 THR A 503 4.076 -2.197 3.182 1.00 15.00 H new ATOM 424 N THR A 504 0.116 -1.905 4.093 1.00 15.00 N ATOM 425 CA THR A 504 -0.669 -3.093 4.350 1.00 15.00 C ATOM 426 C THR A 504 -0.945 -3.879 3.069 1.00 15.00 C ATOM 427 O THR A 504 -1.213 -3.310 2.005 1.00 15.00 O ATOM 428 CB THR A 504 -1.991 -2.753 5.078 1.00 15.00 C ATOM 429 OG1 THR A 504 -2.754 -3.946 5.305 1.00 15.00 O ATOM 430 CG2 THR A 504 -2.825 -1.747 4.293 1.00 15.00 C ATOM 0 H THR A 504 -0.410 -1.131 3.688 1.00 15.00 H new ATOM 0 HA THR A 504 -0.075 -3.728 5.008 1.00 15.00 H new ATOM 0 HB THR A 504 -1.731 -2.300 6.035 1.00 15.00 H new ATOM 0 HG1 THR A 504 -3.587 -3.905 4.790 1.00 15.00 H new ATOM 0 HG21 THR A 504 -3.745 -1.534 4.837 1.00 15.00 H new ATOM 0 HG22 THR A 504 -2.258 -0.825 4.165 1.00 15.00 H new ATOM 0 HG23 THR A 504 -3.069 -2.161 3.315 1.00 15.00 H new ATOM 438 N TRP A 505 -0.859 -5.196 3.203 1.00 15.00 N ATOM 439 CA TRP A 505 -1.030 -6.132 2.099 1.00 15.00 C ATOM 440 C TRP A 505 -2.503 -6.507 1.954 1.00 15.00 C ATOM 441 O TRP A 505 -2.939 -7.010 0.918 1.00 15.00 O ATOM 442 CB TRP A 505 -0.175 -7.363 2.406 1.00 15.00 C ATOM 443 CG TRP A 505 -0.001 -8.366 1.302 1.00 15.00 C ATOM 444 CD1 TRP A 505 -0.189 -9.709 1.414 1.00 15.00 C ATOM 445 CD2 TRP A 505 0.433 -8.132 -0.049 1.00 15.00 C ATOM 446 NE1 TRP A 505 0.110 -10.331 0.233 1.00 15.00 N ATOM 447 CE2 TRP A 505 0.479 -9.387 -0.688 1.00 15.00 C ATOM 448 CE3 TRP A 505 0.782 -6.995 -0.782 1.00 15.00 C ATOM 449 CZ2 TRP A 505 0.861 -9.535 -2.020 1.00 15.00 C ATOM 450 CZ3 TRP A 505 1.156 -7.146 -2.108 1.00 15.00 C ATOM 451 CH2 TRP A 505 1.191 -8.405 -2.712 1.00 15.00 C ATOM 0 H TRP A 505 -0.666 -5.651 4.095 1.00 15.00 H new ATOM 0 HA TRP A 505 -0.715 -5.686 1.156 1.00 15.00 H new ATOM 0 HB2 TRP A 505 0.814 -7.021 2.711 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -0.614 -7.875 3.262 1.00 15.00 H new ATOM 0 HD1 TRP A 505 -0.526 -10.212 2.308 1.00 15.00 H new ATOM 0 HE1 TRP A 505 0.065 -11.336 0.065 1.00 15.00 H new ATOM 0 HE3 TRP A 505 0.761 -6.017 -0.324 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 0.895 -10.508 -2.488 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 1.425 -6.274 -2.685 1.00 15.00 H new ATOM 0 HH2 TRP A 505 1.485 -8.486 -3.748 1.00 15.00 H new ATOM 462 N GLU A 506 -3.250 -6.253 3.018 1.00 15.00 N ATOM 463 CA GLU A 506 -4.680 -6.515 3.054 1.00 15.00 C ATOM 464 C GLU A 506 -5.422 -5.213 3.212 1.00 15.00 C ATOM 465 O GLU A 506 -4.921 -4.276 3.840 1.00 15.00 O ATOM 466 CB GLU A 506 -5.021 -7.455 4.216 1.00 15.00 C ATOM 467 CG GLU A 506 -4.371 -8.829 4.127 1.00 15.00 C ATOM 468 CD GLU A 506 -5.021 -9.728 3.093 1.00 15.00 C ATOM 469 OE1 GLU A 506 -6.271 -9.791 3.055 1.00 15.00 O1- ATOM 470 OE2 GLU A 506 -4.291 -10.397 2.336 1.00 15.00 O ATOM 0 H GLU A 506 -2.880 -5.858 3.883 1.00 15.00 H new ATOM 0 HA GLU A 506 -4.979 -6.994 2.122 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -4.717 -6.983 5.150 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -6.103 -7.581 4.260 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -3.315 -8.710 3.884 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -4.421 -9.312 5.103 1.00 15.00 H new ATOM 477 N ASP A 507 -6.618 -5.158 2.663 1.00 15.00 N ATOM 478 CA ASP A 507 -7.380 -3.931 2.671 1.00 15.00 C ATOM 479 C ASP A 507 -7.811 -3.595 4.099 1.00 15.00 C ATOM 480 O ASP A 507 -8.433 -4.420 4.771 1.00 15.00 O ATOM 481 CB ASP A 507 -8.597 -4.043 1.749 1.00 15.00 C ATOM 482 CG ASP A 507 -9.354 -2.737 1.620 1.00 15.00 C ATOM 483 OD1 ASP A 507 -10.141 -2.407 2.527 1.00 15.00 O1- ATOM 484 OD2 ASP A 507 -9.179 -2.040 0.598 1.00 15.00 O ATOM 0 H ASP A 507 -7.080 -5.946 2.208 1.00 15.00 H new ATOM 0 HA ASP A 507 -6.750 -3.124 2.297 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -8.271 -4.368 0.761 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -9.269 -4.811 2.132 1.00 15.00 H new ATOM 585 N LEU B 928 3.653 -10.765 1.131 1.00 15.00 N ATOM 586 CA LEU B 928 3.851 -9.355 1.431 1.00 15.00 C ATOM 587 C LEU B 928 5.342 -9.068 1.588 1.00 15.00 C ATOM 588 O LEU B 928 6.012 -9.652 2.445 1.00 15.00 O ATOM 589 CB LEU B 928 3.063 -8.987 2.707 1.00 15.00 C ATOM 590 CG LEU B 928 3.170 -7.533 3.227 1.00 15.00 C ATOM 591 CD1 LEU B 928 4.449 -7.308 4.013 1.00 15.00 C ATOM 592 CD2 LEU B 928 3.077 -6.531 2.086 1.00 15.00 C ATOM 0 HA LEU B 928 3.477 -8.740 0.612 1.00 15.00 H new ATOM 0 HB2 LEU B 928 2.010 -9.200 2.524 1.00 15.00 H new ATOM 0 HB3 LEU B 928 3.389 -9.653 3.506 1.00 15.00 H new ATOM 0 HG LEU B 928 2.327 -7.376 3.900 1.00 15.00 H new ATOM 0 HD11 LEU B 928 4.486 -6.275 4.360 1.00 15.00 H new ATOM 0 HD12 LEU B 928 4.472 -7.980 4.871 1.00 15.00 H new ATOM 0 HD13 LEU B 928 5.309 -7.506 3.373 1.00 15.00 H new ATOM 0 HD21 LEU B 928 3.155 -5.519 2.483 1.00 15.00 H new ATOM 0 HD22 LEU B 928 3.888 -6.707 1.380 1.00 15.00 H new ATOM 0 HD23 LEU B 928 2.121 -6.648 1.576 1.00 15.00 H new ATOM 604 N PRO B 929 5.878 -8.176 0.746 1.00 15.00 N ATOM 605 CA PRO B 929 7.272 -7.749 0.820 1.00 15.00 C ATOM 606 C PRO B 929 7.478 -6.585 1.790 1.00 15.00 C ATOM 607 O PRO B 929 6.595 -5.738 1.951 1.00 15.00 O ATOM 608 CB PRO B 929 7.549 -7.300 -0.612 1.00 15.00 C ATOM 609 CG PRO B 929 6.244 -6.773 -1.106 1.00 15.00 C ATOM 610 CD PRO B 929 5.166 -7.532 -0.376 1.00 15.00 C ATOM 0 HA PRO B 929 7.931 -8.536 1.186 1.00 15.00 H new ATOM 0 HB2 PRO B 929 8.323 -6.533 -0.643 1.00 15.00 H new ATOM 0 HB3 PRO B 929 7.898 -8.130 -1.226 1.00 15.00 H new ATOM 0 HG2 PRO B 929 6.161 -5.703 -0.915 1.00 15.00 H new ATOM 0 HG3 PRO B 929 6.153 -6.912 -2.183 1.00 15.00 H new ATOM 0 HD2 PRO B 929 4.380 -6.866 -0.020 1.00 15.00 H new ATOM 0 HD3 PRO B 929 4.690 -8.269 -1.022 1.00 15.00 H new ATOM 618 N PRO B 930 8.652 -6.526 2.442 1.00 15.00 N ATOM 619 CA PRO B 930 9.042 -5.391 3.289 1.00 15.00 C ATOM 620 C PRO B 930 8.894 -4.074 2.537 1.00 15.00 C ATOM 621 O PRO B 930 8.977 -4.056 1.303 1.00 15.00 O ATOM 622 CB PRO B 930 10.514 -5.674 3.597 1.00 15.00 C ATOM 623 CG PRO B 930 10.634 -7.152 3.500 1.00 15.00 C ATOM 624 CD PRO B 930 9.692 -7.568 2.407 1.00 15.00 C ATOM 0 HA PRO B 930 8.426 -5.295 4.183 1.00 15.00 H new ATOM 0 HB2 PRO B 930 11.172 -5.174 2.886 1.00 15.00 H new ATOM 0 HB3 PRO B 930 10.788 -5.317 4.590 1.00 15.00 H new ATOM 0 HG2 PRO B 930 11.657 -7.447 3.268 1.00 15.00 H new ATOM 0 HG3 PRO B 930 10.372 -7.628 4.445 1.00 15.00 H new ATOM 0 HD2 PRO B 930 10.191 -7.606 1.439 1.00 15.00 H new ATOM 0 HD3 PRO B 930 9.276 -8.559 2.590 1.00 15.00 H new ATOM 632 N TYR B 931 8.714 -2.977 3.272 1.00 15.00 N ATOM 633 CA TYR B 931 8.384 -1.697 2.659 1.00 15.00 C ATOM 634 C TYR B 931 9.385 -1.361 1.552 1.00 15.00 C ATOM 635 O TYR B 931 10.589 -1.232 1.787 1.00 15.00 O ATOM 636 CB TYR B 931 8.383 -0.606 3.746 1.00 15.00 C ATOM 637 CG TYR B 931 7.900 0.774 3.317 1.00 15.00 C ATOM 638 CD1 TYR B 931 7.438 1.029 2.030 1.00 15.00 C ATOM 639 CD2 TYR B 931 7.911 1.829 4.224 1.00 15.00 C ATOM 640 CE1 TYR B 931 7.004 2.288 1.661 1.00 15.00 C ATOM 641 CE2 TYR B 931 7.477 3.091 3.864 1.00 15.00 C ATOM 642 CZ TYR B 931 7.025 3.316 2.581 1.00 15.00 C ATOM 643 OH TYR B 931 6.590 4.571 2.219 1.00 15.00 O ATOM 0 H TYR B 931 8.791 -2.952 4.289 1.00 15.00 H new ATOM 0 HA TYR B 931 7.394 -1.753 2.206 1.00 15.00 H new ATOM 0 HB2 TYR B 931 7.758 -0.946 4.571 1.00 15.00 H new ATOM 0 HB3 TYR B 931 9.397 -0.508 4.134 1.00 15.00 H new ATOM 0 HD1 TYR B 931 7.418 0.228 1.306 1.00 15.00 H new ATOM 0 HD2 TYR B 931 8.266 1.658 5.230 1.00 15.00 H new ATOM 0 HE1 TYR B 931 6.650 2.467 0.656 1.00 15.00 H new ATOM 0 HE2 TYR B 931 7.492 3.896 4.584 1.00 15.00 H new ATOM 0 HH TYR B 931 6.670 5.178 2.984 1.00 15.00 H new ATOM 653 N GLU B 932 8.858 -1.232 0.349 1.00 15.00 N ATOM 654 CA GLU B 932 9.630 -0.831 -0.810 1.00 15.00 C ATOM 655 C GLU B 932 9.207 0.570 -1.191 1.00 15.00 C ATOM 656 O GLU B 932 8.012 0.813 -1.364 1.00 15.00 O ATOM 657 CB GLU B 932 9.354 -1.788 -1.975 1.00 15.00 C ATOM 658 CG GLU B 932 10.438 -1.800 -3.039 1.00 15.00 C ATOM 659 CD GLU B 932 11.691 -2.510 -2.569 1.00 15.00 C ATOM 660 OE1 GLU B 932 12.518 -1.877 -1.882 1.00 15.00 O ATOM 661 OE2 GLU B 932 11.848 -3.712 -2.868 1.00 15.00 O1- ATOM 0 H GLU B 932 7.873 -1.404 0.148 1.00 15.00 H new ATOM 0 HA GLU B 932 10.696 -0.858 -0.582 1.00 15.00 H new ATOM 0 HB2 GLU B 932 9.235 -2.797 -1.581 1.00 15.00 H new ATOM 0 HB3 GLU B 932 8.407 -1.514 -2.440 1.00 15.00 H new ATOM 0 HG2 GLU B 932 10.059 -2.290 -3.936 1.00 15.00 H new ATOM 0 HG3 GLU B 932 10.685 -0.775 -3.316 1.00 15.00 H new ATOM 668 N THR B 933 10.129 1.501 -1.321 1.00 15.00 N ATOM 669 CA THR B 933 9.706 2.817 -1.717 1.00 15.00 C ATOM 670 C THR B 933 9.686 2.938 -3.229 1.00 15.00 C ATOM 671 O THR B 933 10.689 2.768 -3.922 1.00 15.00 O ATOM 672 CB THR B 933 10.529 3.957 -1.104 1.00 15.00 C ATOM 673 OG1 THR B 933 10.765 3.700 0.290 1.00 15.00 O ATOM 674 CG2 THR B 933 9.760 5.268 -1.265 1.00 15.00 C ATOM 0 H THR B 933 11.129 1.377 -1.166 1.00 15.00 H new ATOM 0 HA THR B 933 8.697 2.931 -1.320 1.00 15.00 H new ATOM 0 HB THR B 933 11.490 4.028 -1.614 1.00 15.00 H new ATOM 0 HG1 THR B 933 11.292 4.432 0.673 1.00 15.00 H new ATOM 0 HG21 THR B 933 10.338 6.084 -0.832 1.00 15.00 H new ATOM 0 HG22 THR B 933 9.593 5.464 -2.324 1.00 15.00 H new ATOM 0 HG23 THR B 933 8.800 5.192 -0.754 1.00 15.00 H new ATOM 682 N PHE B 934 8.503 3.220 -3.693 1.00 15.00 N ATOM 683 CA PHE B 934 8.180 3.416 -5.087 1.00 15.00 C ATOM 684 C PHE B 934 8.104 4.921 -5.340 1.00 15.00 C ATOM 685 O PHE B 934 8.405 5.703 -4.435 1.00 15.00 O ATOM 686 CB PHE B 934 6.866 2.714 -5.430 1.00 15.00 C ATOM 687 CG PHE B 934 5.693 3.391 -4.818 1.00 15.00 C ATOM 688 CD1 PHE B 934 5.422 3.262 -3.466 1.00 15.00 C ATOM 689 CD2 PHE B 934 4.894 4.210 -5.588 1.00 15.00 C ATOM 690 CE1 PHE B 934 4.370 3.937 -2.908 1.00 15.00 C ATOM 691 CE2 PHE B 934 3.852 4.894 -5.029 1.00 15.00 C ATOM 692 CZ PHE B 934 3.593 4.756 -3.691 1.00 15.00 C ATOM 0 H PHE B 934 7.693 3.326 -3.083 1.00 15.00 H new ATOM 0 HA PHE B 934 8.945 2.981 -5.729 1.00 15.00 H new ATOM 0 HB2 PHE B 934 6.743 2.685 -6.513 1.00 15.00 H new ATOM 0 HB3 PHE B 934 6.907 1.680 -5.086 1.00 15.00 H new ATOM 0 HD1 PHE B 934 6.042 2.627 -2.850 1.00 15.00 H new ATOM 0 HD2 PHE B 934 5.094 4.312 -6.644 1.00 15.00 H new ATOM 0 HE1 PHE B 934 4.152 3.826 -1.856 1.00 15.00 H new ATOM 0 HE2 PHE B 934 3.236 5.539 -5.638 1.00 15.00 H new ATOM 0 HZ PHE B 934 2.770 5.296 -3.247 1.00 15.00 H new ATOM 702 N GLU B 935 7.780 5.317 -6.564 1.00 15.00 N ATOM 703 CA GLU B 935 7.806 6.725 -6.974 1.00 15.00 C ATOM 704 C GLU B 935 7.100 7.648 -5.971 1.00 15.00 C ATOM 705 O GLU B 935 6.175 7.236 -5.265 1.00 15.00 O ATOM 706 CB GLU B 935 7.086 6.863 -8.315 1.00 15.00 C ATOM 707 CG GLU B 935 5.679 6.259 -8.322 1.00 15.00 C ATOM 708 CD GLU B 935 5.643 4.888 -8.956 1.00 15.00 C ATOM 709 OE1 GLU B 935 6.240 3.950 -8.386 1.00 15.00 O ATOM 710 OE2 GLU B 935 5.004 4.736 -10.021 1.00 15.00 O1- ATOM 0 H GLU B 935 7.491 4.676 -7.303 1.00 15.00 H new ATOM 0 HA GLU B 935 8.853 7.021 -7.035 1.00 15.00 H new ATOM 0 HB2 GLU B 935 7.020 7.919 -8.575 1.00 15.00 H new ATOM 0 HB3 GLU B 935 7.683 6.381 -9.089 1.00 15.00 H new ATOM 0 HG2 GLU B 935 5.310 6.193 -7.298 1.00 15.00 H new ATOM 0 HG3 GLU B 935 5.004 6.923 -8.862 1.00 15.00 H new ATOM 717 N ASP B 936 7.549 8.910 -5.955 1.00 15.00 N ATOM 718 CA ASP B 936 7.094 9.914 -4.990 1.00 15.00 C ATOM 719 C ASP B 936 5.573 10.004 -4.927 1.00 15.00 C ATOM 720 O ASP B 936 4.876 9.886 -5.938 1.00 15.00 O ATOM 721 CB ASP B 936 7.679 11.290 -5.329 1.00 15.00 C ATOM 722 CG ASP B 936 7.114 11.885 -6.604 1.00 15.00 C ATOM 723 OD1 ASP B 936 7.521 11.449 -7.702 1.00 15.00 O ATOM 724 OD2 ASP B 936 6.278 12.810 -6.518 1.00 15.00 O1- ATOM 0 H ASP B 936 8.242 9.263 -6.615 1.00 15.00 H new ATOM 0 HA ASP B 936 7.451 9.597 -4.010 1.00 15.00 H new ATOM 0 HB2 ASP B 936 7.486 11.973 -4.501 1.00 15.00 H new ATOM 0 HB3 ASP B 936 8.761 11.203 -5.425 1.00 15.00 H new ATOM 729 N LEU B 937 5.076 10.263 -3.727 1.00 15.00 N ATOM 730 CA LEU B 937 3.647 10.240 -3.458 1.00 15.00 C ATOM 731 C LEU B 937 3.004 11.558 -3.871 1.00 15.00 C ATOM 732 O LEU B 937 3.065 12.550 -3.141 1.00 15.00 O ATOM 733 CB LEU B 937 3.369 9.963 -1.966 1.00 15.00 C ATOM 734 CG LEU B 937 4.213 8.863 -1.301 1.00 15.00 C ATOM 735 CD1 LEU B 937 4.360 7.649 -2.205 1.00 15.00 C ATOM 736 CD2 LEU B 937 5.579 9.393 -0.886 1.00 15.00 C ATOM 0 H LEU B 937 5.649 10.494 -2.916 1.00 15.00 H new ATOM 0 HA LEU B 937 3.209 9.433 -4.046 1.00 15.00 H new ATOM 0 HB2 LEU B 937 3.521 10.890 -1.413 1.00 15.00 H new ATOM 0 HB3 LEU B 937 2.317 9.697 -1.859 1.00 15.00 H new ATOM 0 HG LEU B 937 3.683 8.547 -0.402 1.00 15.00 H new ATOM 0 HD11 LEU B 937 4.962 6.892 -1.703 1.00 15.00 H new ATOM 0 HD12 LEU B 937 3.375 7.240 -2.428 1.00 15.00 H new ATOM 0 HD13 LEU B 937 4.849 7.944 -3.134 1.00 15.00 H new ATOM 0 HD21 LEU B 937 6.153 8.593 -0.419 1.00 15.00 H new ATOM 0 HD22 LEU B 937 6.111 9.756 -1.765 1.00 15.00 H new ATOM 0 HD23 LEU B 937 5.452 10.210 -0.176 1.00 15.00 H new