USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 GLN : amide:sc= -1.07 X(o=-1,f=-0.65) USER MOD Set 1.2: A 101 SER OG : rot -140:sc= 0.0364 USER MOD Set 2.1: A 71 ASN : amide:sc= -2.17! C(o=-2.2!,f=-5.8!) USER MOD Set 2.2: A 73 MET CE :methyl -167:sc= -0.0319 (180deg=0) USER MOD Set 3.1: A 65 ASN : amide:sc= -0.489 X(o=-3.5,f=-3.8) USER MOD Set 3.2: A 88 TYR OH : rot 102:sc= 0.494 USER MOD Set 3.3: A 99 SER OG : rot 48:sc= -2.26! USER MOD Set 3.4: A 115 GLN : amide:sc= -1.25 X(o=-3.5,f=-3.6!) USER MOD Set 4.1: A 29 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Set 4.2: A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= -0.0709 X(o=-0.071,f=-0.53) USER MOD Single : A 1 GLN N :NH3+ -152:sc= -0.125 (180deg=-1) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.248 F(o=-2.1!,f=-0.25) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -14.8! C(o=-15!,f=-19!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -140:sc= -0.919 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.05 USER MOD Single : A 36 TYR OH : rot -76:sc= -0.75 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.451 K(o=-0.45,f=-1.5) USER MOD Single : A 49 SER OG : rot 180:sc=-0.00642 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00037) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 147:sc= -3.15 (180deg=-5.05!) USER MOD Single : A 81 GLN :FLIP amide:sc= -3.89! C(o=-6!,f=-3.9!) USER MOD Single : A 84 SER OG : rot -150:sc= -3.33! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= -0.318 USER MOD Single : A 91 THR OG1 : rot 9:sc= 0.24 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 80:sc= -1.77! USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -47:sc= 0.516 USER MOD Single : A 110 THR OG1 : rot 170:sc= 1.02 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.338 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 24.214 -7.189 -16.697 1.00 0.00 N ATOM 2 CA GLN A 1 23.651 -8.531 -16.807 1.00 0.00 C ATOM 3 C GLN A 1 22.141 -8.500 -16.595 1.00 0.00 C ATOM 4 O GLN A 1 21.375 -8.609 -17.547 1.00 0.00 O ATOM 5 CB GLN A 1 24.330 -9.343 -15.746 1.00 0.00 C ATOM 6 CG GLN A 1 25.796 -9.541 -16.026 1.00 0.00 C ATOM 7 CD GLN A 1 26.491 -10.189 -14.901 1.00 0.00 C ATOM 8 OE1 GLN A 1 26.566 -11.413 -14.793 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.991 -9.344 -14.019 1.00 0.00 N ATOM 0 H1 GLN A 1 25.076 -7.126 -17.276 1.00 0.00 H new ATOM 0 H2 GLN A 1 23.519 -6.492 -17.033 1.00 0.00 H new ATOM 0 H3 GLN A 1 24.449 -6.992 -15.703 1.00 0.00 H new ATOM 0 HA GLN A 1 23.813 -8.958 -17.797 1.00 0.00 H new ATOM 0 HB2 GLN A 1 24.210 -8.849 -14.782 1.00 0.00 H new ATOM 0 HB3 GLN A 1 23.843 -10.315 -15.669 1.00 0.00 H new ATOM 0 HG2 GLN A 1 25.915 -10.148 -16.923 1.00 0.00 H new ATOM 0 HG3 GLN A 1 26.259 -8.576 -16.231 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.896 -8.339 -14.165 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.472 -9.696 -13.191 1.00 0.00 H new ATOM 18 N CYS A 2 21.731 -8.299 -15.336 1.00 0.00 N ATOM 19 CA CYS A 2 20.293 -8.215 -14.995 1.00 0.00 C ATOM 20 C CYS A 2 19.770 -6.879 -15.481 1.00 0.00 C ATOM 21 O CYS A 2 18.571 -6.684 -15.687 1.00 0.00 O ATOM 22 CB CYS A 2 20.063 -8.373 -13.503 1.00 0.00 C ATOM 23 SG CYS A 2 20.948 -9.796 -12.784 1.00 0.00 S ATOM 0 H CYS A 2 22.361 -8.192 -14.541 1.00 0.00 H new ATOM 0 HA CYS A 2 19.757 -9.029 -15.483 1.00 0.00 H new ATOM 0 HB2 CYS A 2 20.380 -7.462 -12.995 1.00 0.00 H new ATOM 0 HB3 CYS A 2 18.995 -8.486 -13.317 1.00 0.00 H new ATOM 28 N ASN A 3 20.728 -5.957 -15.666 1.00 0.00 N ATOM 29 CA ASN A 3 20.466 -4.605 -16.136 1.00 0.00 C ATOM 30 C ASN A 3 19.494 -3.868 -15.168 1.00 0.00 C ATOM 31 O ASN A 3 18.677 -3.052 -15.577 1.00 0.00 O ATOM 32 CB ASN A 3 19.853 -4.729 -17.568 1.00 0.00 C ATOM 33 CG ASN A 3 19.947 -3.461 -18.395 1.00 0.00 C ATOM 34 OD1 ASN A 3 20.060 -2.368 -17.737 1.00 0.00 O flip ATOM 35 ND2 ASN A 3 19.897 -3.495 -19.617 1.00 0.00 N flip ATOM 0 H ASN A 3 21.716 -6.141 -15.489 1.00 0.00 H new ATOM 0 HA ASN A 3 21.384 -4.018 -16.167 1.00 0.00 H new ATOM 0 HB2 ASN A 3 20.359 -5.535 -18.100 1.00 0.00 H new ATOM 0 HB3 ASN A 3 18.805 -5.015 -17.479 1.00 0.00 H new ATOM 0 HD21 ASN A 3 19.807 -4.389 -20.099 1.00 0.00 H new ATOM 0 HD22 ASN A 3 19.946 -2.629 -20.154 1.00 0.00 H new ATOM 42 N ALA A 4 19.693 -4.116 -13.853 1.00 0.00 N ATOM 43 CA ALA A 4 18.882 -3.527 -12.776 1.00 0.00 C ATOM 44 C ALA A 4 17.419 -3.932 -12.902 1.00 0.00 C ATOM 45 O ALA A 4 16.785 -3.654 -13.899 1.00 0.00 O ATOM 46 CB ALA A 4 19.040 -2.011 -12.723 1.00 0.00 C ATOM 0 H ALA A 4 20.428 -4.736 -13.513 1.00 0.00 H new ATOM 0 HA ALA A 4 19.252 -3.924 -11.831 1.00 0.00 H new ATOM 0 HB1 ALA A 4 18.427 -1.609 -11.916 1.00 0.00 H new ATOM 0 HB2 ALA A 4 20.086 -1.760 -12.544 1.00 0.00 H new ATOM 0 HB3 ALA A 4 18.720 -1.579 -13.671 1.00 0.00 H new ATOM 52 N PRO A 5 16.850 -4.557 -11.854 1.00 0.00 N ATOM 53 CA PRO A 5 15.502 -5.135 -11.920 1.00 0.00 C ATOM 54 C PRO A 5 14.443 -4.154 -12.387 1.00 0.00 C ATOM 55 O PRO A 5 13.923 -4.297 -13.496 1.00 0.00 O ATOM 56 CB PRO A 5 15.221 -5.553 -10.455 1.00 0.00 C ATOM 57 CG PRO A 5 16.268 -4.843 -9.632 1.00 0.00 C ATOM 58 CD PRO A 5 17.467 -4.712 -10.526 1.00 0.00 C ATOM 0 HA PRO A 5 15.461 -5.950 -12.642 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.216 -5.263 -10.149 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.291 -6.634 -10.334 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.913 -3.865 -9.307 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.510 -5.410 -8.733 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.081 -3.852 -10.260 1.00 0.00 H new ATOM 0 HD3 PRO A 5 18.110 -5.591 -10.476 1.00 0.00 H new ATOM 66 N GLU A 6 14.203 -3.129 -11.573 1.00 0.00 N ATOM 67 CA GLU A 6 13.254 -2.048 -11.862 1.00 0.00 C ATOM 68 C GLU A 6 12.759 -1.434 -10.555 1.00 0.00 C ATOM 69 O GLU A 6 13.358 -1.612 -9.504 1.00 0.00 O ATOM 70 CB GLU A 6 12.031 -2.503 -12.717 1.00 0.00 C ATOM 71 CG GLU A 6 11.113 -3.549 -12.049 1.00 0.00 C ATOM 72 CD GLU A 6 9.919 -3.904 -12.905 1.00 0.00 C ATOM 73 OE1 GLU A 6 9.404 -3.004 -13.622 1.00 0.00 O ATOM 74 OE2 GLU A 6 9.489 -5.080 -12.893 1.00 0.00 O ATOM 0 H GLU A 6 14.671 -3.021 -10.673 1.00 0.00 H new ATOM 0 HA GLU A 6 13.796 -1.312 -12.456 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.434 -1.625 -12.964 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.398 -2.914 -13.657 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.688 -4.452 -11.841 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.766 -3.164 -11.090 1.00 0.00 H new ATOM 81 N TRP A 7 11.640 -0.759 -10.639 1.00 0.00 N ATOM 82 CA TRP A 7 10.998 -0.153 -9.500 1.00 0.00 C ATOM 83 C TRP A 7 9.759 -0.952 -9.077 1.00 0.00 C ATOM 84 O TRP A 7 8.898 -1.264 -9.905 1.00 0.00 O ATOM 85 CB TRP A 7 10.648 1.309 -9.826 1.00 0.00 C ATOM 86 CG TRP A 7 9.887 2.010 -8.755 1.00 0.00 C ATOM 87 CD1 TRP A 7 10.371 2.624 -7.644 1.00 0.00 C ATOM 88 CD2 TRP A 7 8.472 2.229 -8.753 1.00 0.00 C ATOM 89 NE1 TRP A 7 9.318 3.154 -6.918 1.00 0.00 N ATOM 90 CE2 TRP A 7 8.150 2.924 -7.592 1.00 0.00 C ATOM 91 CE3 TRP A 7 7.444 1.856 -9.645 1.00 0.00 C ATOM 92 CZ2 TRP A 7 6.843 3.281 -7.286 1.00 0.00 C ATOM 93 CZ3 TRP A 7 6.166 2.211 -9.338 1.00 0.00 C ATOM 94 CH2 TRP A 7 5.864 2.915 -8.180 1.00 0.00 C ATOM 0 H TRP A 7 11.141 -0.613 -11.517 1.00 0.00 H new ATOM 0 HA TRP A 7 11.685 -0.163 -8.654 1.00 0.00 H new ATOM 0 HB2 TRP A 7 11.570 1.857 -10.018 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.064 1.334 -10.746 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.414 2.689 -7.370 1.00 0.00 H new ATOM 0 HE1 TRP A 7 9.400 3.638 -6.024 1.00 0.00 H new ATOM 0 HE3 TRP A 7 7.665 1.304 -10.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.605 3.824 -6.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.367 1.938 -10.012 1.00 0.00 H new ATOM 0 HH2 TRP A 7 4.837 3.181 -7.977 1.00 0.00 H new ATOM 105 N LEU A 8 9.686 -1.272 -7.782 1.00 0.00 N ATOM 106 CA LEU A 8 8.596 -2.079 -7.240 1.00 0.00 C ATOM 107 C LEU A 8 7.932 -1.325 -6.071 1.00 0.00 C ATOM 108 O LEU A 8 8.543 -1.103 -5.034 1.00 0.00 O ATOM 109 CB LEU A 8 9.170 -3.458 -6.747 1.00 0.00 C ATOM 110 CG LEU A 8 8.184 -4.644 -6.724 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.623 -4.894 -8.107 1.00 0.00 C ATOM 112 CD2 LEU A 8 8.868 -5.914 -6.219 1.00 0.00 C ATOM 0 H LEU A 8 10.375 -0.981 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 8 7.847 -2.261 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.011 -3.726 -7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.565 -3.323 -5.740 1.00 0.00 H new ATOM 0 HG LEU A 8 7.371 -4.386 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.929 -5.734 -8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.098 -4.004 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.437 -5.124 -8.794 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.151 -6.735 -6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.701 -6.164 -6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.240 -5.749 -5.208 1.00 0.00 H new ATOM 124 N PRO A 9 6.655 -0.942 -6.221 1.00 0.00 N ATOM 125 CA PRO A 9 5.921 -0.134 -5.217 1.00 0.00 C ATOM 126 C PRO A 9 5.709 -0.862 -3.864 1.00 0.00 C ATOM 127 O PRO A 9 5.525 -0.223 -2.831 1.00 0.00 O ATOM 128 CB PRO A 9 4.582 0.145 -5.901 1.00 0.00 C ATOM 129 CG PRO A 9 4.443 -0.934 -6.919 1.00 0.00 C ATOM 130 CD PRO A 9 5.829 -1.237 -7.394 1.00 0.00 C ATOM 0 HA PRO A 9 6.479 0.762 -4.946 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.760 0.122 -5.186 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.573 1.131 -6.366 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.977 -1.820 -6.487 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.810 -0.611 -7.745 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.930 -2.276 -7.707 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.106 -0.619 -8.248 1.00 0.00 H new ATOM 138 N PHE A 10 5.762 -2.196 -3.885 1.00 0.00 N ATOM 139 CA PHE A 10 5.571 -2.994 -2.681 1.00 0.00 C ATOM 140 C PHE A 10 6.905 -3.432 -2.094 1.00 0.00 C ATOM 141 O PHE A 10 6.936 -4.258 -1.171 1.00 0.00 O ATOM 142 CB PHE A 10 4.634 -4.225 -2.929 1.00 0.00 C ATOM 143 CG PHE A 10 4.753 -4.892 -4.247 1.00 0.00 C ATOM 144 CD1 PHE A 10 4.215 -4.322 -5.392 1.00 0.00 C ATOM 145 CD2 PHE A 10 5.385 -6.100 -4.350 1.00 0.00 C ATOM 146 CE1 PHE A 10 4.322 -4.957 -6.599 1.00 0.00 C ATOM 147 CE2 PHE A 10 5.496 -6.739 -5.548 1.00 0.00 C ATOM 148 CZ PHE A 10 4.963 -6.171 -6.676 1.00 0.00 C ATOM 0 H PHE A 10 5.936 -2.744 -4.728 1.00 0.00 H new ATOM 0 HA PHE A 10 5.073 -2.354 -1.952 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.831 -4.965 -2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.602 -3.899 -2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.708 -3.370 -5.330 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.804 -6.556 -3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.905 -4.507 -7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.003 -7.691 -5.609 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.047 -6.678 -7.626 1.00 0.00 H new ATOM 158 N ALA A 11 8.014 -2.870 -2.603 1.00 0.00 N ATOM 159 CA ALA A 11 9.353 -3.277 -2.166 1.00 0.00 C ATOM 160 C ALA A 11 10.368 -2.115 -2.173 1.00 0.00 C ATOM 161 O ALA A 11 10.257 -1.183 -2.960 1.00 0.00 O ATOM 162 CB ALA A 11 9.870 -4.423 -3.045 1.00 0.00 C ATOM 0 H ALA A 11 8.007 -2.138 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 11 9.257 -3.612 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.865 -4.717 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.195 -5.275 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.918 -4.092 -4.083 1.00 0.00 H new ATOM 168 N ARG A 12 11.355 -2.192 -1.263 1.00 0.00 N ATOM 169 CA ARG A 12 12.463 -1.225 -1.180 1.00 0.00 C ATOM 170 C ARG A 12 13.782 -1.983 -0.981 1.00 0.00 C ATOM 171 O ARG A 12 14.156 -2.279 0.149 1.00 0.00 O ATOM 172 CB ARG A 12 12.247 -0.181 -0.061 1.00 0.00 C ATOM 173 CG ARG A 12 11.572 1.110 -0.507 1.00 0.00 C ATOM 174 CD ARG A 12 12.375 1.789 -1.629 1.00 0.00 C ATOM 175 NE ARG A 12 12.484 3.243 -1.459 1.00 0.00 N ATOM 176 CZ ARG A 12 11.861 4.154 -2.196 1.00 0.00 C ATOM 177 NH1 ARG A 12 11.048 3.772 -3.186 1.00 0.00 N ATOM 178 NH2 ARG A 12 12.069 5.450 -1.948 1.00 0.00 N ATOM 0 H ARG A 12 11.406 -2.930 -0.561 1.00 0.00 H new ATOM 0 HA ARG A 12 12.501 -0.667 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.646 -0.634 0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.214 0.065 0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.562 0.895 -0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.479 1.788 0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.375 1.357 -1.665 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.901 1.576 -2.587 1.00 0.00 H new ATOM 0 HE ARG A 12 13.090 3.582 -0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.906 2.780 -3.375 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.569 4.473 -3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.701 5.731 -1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.596 6.159 -2.508 1.00 0.00 H new ATOM 192 N PRO A 13 14.444 -2.364 -2.099 1.00 0.00 N ATOM 193 CA PRO A 13 15.702 -3.153 -2.077 1.00 0.00 C ATOM 194 C PRO A 13 16.929 -2.380 -1.565 1.00 0.00 C ATOM 195 O PRO A 13 17.032 -1.160 -1.715 1.00 0.00 O ATOM 196 CB PRO A 13 15.845 -3.579 -3.526 1.00 0.00 C ATOM 197 CG PRO A 13 15.218 -2.464 -4.303 1.00 0.00 C ATOM 198 CD PRO A 13 14.053 -1.967 -3.461 1.00 0.00 C ATOM 0 HA PRO A 13 15.652 -3.984 -1.374 1.00 0.00 H new ATOM 0 HB2 PRO A 13 16.891 -3.715 -3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.341 -4.527 -3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.936 -1.664 -4.486 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.874 -2.813 -5.277 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.923 -0.888 -3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.111 -2.426 -3.762 1.00 0.00 H new ATOM 206 N THR A 14 17.861 -3.124 -0.952 1.00 0.00 N ATOM 207 CA THR A 14 19.000 -2.527 -0.275 1.00 0.00 C ATOM 208 C THR A 14 20.352 -2.783 -1.005 1.00 0.00 C ATOM 209 O THR A 14 21.362 -2.163 -0.687 1.00 0.00 O ATOM 210 CB THR A 14 19.106 -3.192 1.117 1.00 0.00 C ATOM 211 OG1 THR A 14 19.799 -4.445 1.006 1.00 0.00 O ATOM 212 CG2 THR A 14 17.726 -3.515 1.635 1.00 0.00 C ATOM 0 H THR A 14 17.840 -4.143 -0.916 1.00 0.00 H new ATOM 0 HA THR A 14 18.836 -1.450 -0.238 1.00 0.00 H new ATOM 0 HB THR A 14 19.630 -2.505 1.781 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.865 -4.862 1.891 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.806 -3.983 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.144 -2.597 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 14 17.230 -4.198 0.946 1.00 0.00 H new ATOM 220 N GLN A 15 20.327 -3.660 -1.980 1.00 0.00 N ATOM 221 CA GLN A 15 21.570 -4.210 -2.603 1.00 0.00 C ATOM 222 C GLN A 15 21.772 -3.723 -4.036 1.00 0.00 C ATOM 223 O GLN A 15 22.787 -3.897 -4.629 1.00 0.00 O ATOM 224 CB GLN A 15 21.441 -5.711 -2.631 1.00 0.00 C ATOM 225 CG GLN A 15 20.060 -6.236 -2.252 1.00 0.00 C ATOM 226 CD GLN A 15 18.967 -5.772 -3.196 1.00 0.00 C ATOM 227 OE1 GLN A 15 19.210 -5.423 -4.321 1.00 0.00 O ATOM 228 NE2 GLN A 15 17.792 -5.867 -2.756 1.00 0.00 N ATOM 0 H GLN A 15 19.465 -4.029 -2.382 1.00 0.00 H new ATOM 0 HA GLN A 15 22.424 -3.873 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 15 21.688 -6.065 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.177 -6.139 -1.951 1.00 0.00 H new ATOM 0 HG2 GLN A 15 20.083 -7.326 -2.240 1.00 0.00 H new ATOM 0 HG3 GLN A 15 19.820 -5.911 -1.240 1.00 0.00 H new ATOM 0 HE21 GLN A 15 17.630 -6.167 -1.795 1.00 0.00 H new ATOM 0 HE22 GLN A 15 17.001 -5.644 -3.361 1.00 0.00 H new ATOM 237 N LEU A 16 20.722 -3.295 -4.555 1.00 0.00 N ATOM 238 CA LEU A 16 20.541 -2.640 -5.826 1.00 0.00 C ATOM 239 C LEU A 16 21.259 -1.312 -5.976 1.00 0.00 C ATOM 240 O LEU A 16 21.814 -1.002 -7.016 1.00 0.00 O ATOM 241 CB LEU A 16 19.091 -2.461 -5.963 1.00 0.00 C ATOM 242 CG LEU A 16 18.626 -1.687 -7.139 1.00 0.00 C ATOM 243 CD1 LEU A 16 18.894 -2.437 -8.402 1.00 0.00 C ATOM 244 CD2 LEU A 16 17.194 -1.348 -6.943 1.00 0.00 C ATOM 0 H LEU A 16 19.833 -3.390 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 16 20.983 -3.256 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.628 -3.447 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 16 18.722 -1.968 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 16 19.179 -0.753 -7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 16 18.546 -1.852 -9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 16 19.965 -2.616 -8.499 1.00 0.00 H new ATOM 0 HD13 LEU A 16 18.368 -3.391 -8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 16 16.835 -0.778 -7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.613 -2.265 -6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 16 17.082 -0.752 -6.037 1.00 0.00 H new ATOM 256 N THR A 17 21.230 -0.575 -4.941 1.00 0.00 N ATOM 257 CA THR A 17 21.473 0.863 -4.917 1.00 0.00 C ATOM 258 C THR A 17 22.750 1.314 -5.666 1.00 0.00 C ATOM 259 O THR A 17 22.737 2.333 -6.336 1.00 0.00 O ATOM 260 CB THR A 17 21.546 1.347 -3.437 1.00 0.00 C ATOM 261 OG1 THR A 17 21.894 2.735 -3.365 1.00 0.00 O ATOM 262 CG2 THR A 17 22.570 0.526 -2.639 1.00 0.00 C ATOM 0 H THR A 17 21.026 -0.953 -4.016 1.00 0.00 H new ATOM 0 HA THR A 17 20.637 1.318 -5.449 1.00 0.00 H new ATOM 0 HB THR A 17 20.557 1.205 -3.002 1.00 0.00 H new ATOM 0 HG1 THR A 17 21.932 3.015 -2.426 1.00 0.00 H new ATOM 0 HG21 THR A 17 22.601 0.884 -1.610 1.00 0.00 H new ATOM 0 HG22 THR A 17 22.281 -0.525 -2.649 1.00 0.00 H new ATOM 0 HG23 THR A 17 23.556 0.635 -3.091 1.00 0.00 H new ATOM 270 N ASP A 18 23.811 0.578 -5.551 1.00 0.00 N ATOM 271 CA ASP A 18 25.079 1.010 -6.170 1.00 0.00 C ATOM 272 C ASP A 18 25.582 -0.080 -7.101 1.00 0.00 C ATOM 273 O ASP A 18 26.550 0.099 -7.840 1.00 0.00 O ATOM 274 CB ASP A 18 26.112 1.250 -5.053 1.00 0.00 C ATOM 275 CG ASP A 18 27.394 1.935 -5.514 1.00 0.00 C ATOM 276 OD1 ASP A 18 27.383 3.166 -5.699 1.00 0.00 O ATOM 277 OD2 ASP A 18 28.428 1.233 -5.711 1.00 0.00 O ATOM 0 H ASP A 18 23.852 -0.310 -5.051 1.00 0.00 H new ATOM 0 HA ASP A 18 24.926 1.926 -6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 18 25.651 1.857 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 18 26.369 0.292 -4.601 1.00 0.00 H new ATOM 282 N GLU A 19 24.888 -1.181 -7.062 1.00 0.00 N ATOM 283 CA GLU A 19 25.312 -2.376 -7.683 1.00 0.00 C ATOM 284 C GLU A 19 24.612 -2.535 -9.055 1.00 0.00 C ATOM 285 O GLU A 19 25.258 -2.557 -10.101 1.00 0.00 O ATOM 286 CB GLU A 19 24.974 -3.504 -6.741 1.00 0.00 C ATOM 287 CG GLU A 19 25.745 -3.424 -5.383 1.00 0.00 C ATOM 288 CD GLU A 19 25.152 -2.473 -4.345 1.00 0.00 C ATOM 289 OE1 GLU A 19 24.185 -1.767 -4.646 1.00 0.00 O ATOM 290 OE2 GLU A 19 25.678 -2.449 -3.208 1.00 0.00 O ATOM 0 H GLU A 19 23.991 -1.261 -6.582 1.00 0.00 H new ATOM 0 HA GLU A 19 26.384 -2.371 -7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 19 23.902 -3.495 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.201 -4.454 -7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.789 -4.424 -4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 19 26.772 -3.119 -5.585 1.00 0.00 H new ATOM 297 N PHE A 20 23.279 -2.668 -8.987 1.00 0.00 N ATOM 298 CA PHE A 20 22.360 -2.718 -10.147 1.00 0.00 C ATOM 299 C PHE A 20 22.536 -3.979 -11.026 1.00 0.00 C ATOM 300 O PHE A 20 21.554 -4.518 -11.548 1.00 0.00 O ATOM 301 CB PHE A 20 22.514 -1.474 -11.038 1.00 0.00 C ATOM 302 CG PHE A 20 22.088 -0.187 -10.404 1.00 0.00 C ATOM 303 CD1 PHE A 20 20.752 0.114 -10.208 1.00 0.00 C ATOM 304 CD2 PHE A 20 23.030 0.732 -10.024 1.00 0.00 C ATOM 305 CE1 PHE A 20 20.358 1.322 -9.632 1.00 0.00 C ATOM 306 CE2 PHE A 20 22.653 1.953 -9.452 1.00 0.00 C ATOM 307 CZ PHE A 20 21.307 2.240 -9.257 1.00 0.00 C ATOM 0 H PHE A 20 22.789 -2.747 -8.096 1.00 0.00 H new ATOM 0 HA PHE A 20 21.361 -2.751 -9.711 1.00 0.00 H new ATOM 0 HB2 PHE A 20 23.559 -1.386 -11.337 1.00 0.00 H new ATOM 0 HB3 PHE A 20 21.933 -1.623 -11.948 1.00 0.00 H new ATOM 0 HD1 PHE A 20 19.999 -0.600 -10.507 1.00 0.00 H new ATOM 0 HD2 PHE A 20 24.078 0.512 -10.168 1.00 0.00 H new ATOM 0 HE1 PHE A 20 19.310 1.534 -9.482 1.00 0.00 H new ATOM 0 HE2 PHE A 20 23.407 2.671 -9.163 1.00 0.00 H new ATOM 0 HZ PHE A 20 21.010 3.179 -8.813 1.00 0.00 H new ATOM 317 N GLU A 21 23.727 -4.452 -11.141 1.00 0.00 N ATOM 318 CA GLU A 21 24.020 -5.514 -12.066 1.00 0.00 C ATOM 319 C GLU A 21 24.438 -6.773 -11.333 1.00 0.00 C ATOM 320 O GLU A 21 25.365 -6.745 -10.534 1.00 0.00 O ATOM 321 CB GLU A 21 25.114 -5.062 -12.986 1.00 0.00 C ATOM 322 CG GLU A 21 24.677 -3.935 -13.904 1.00 0.00 C ATOM 323 CD GLU A 21 25.786 -3.441 -14.778 1.00 0.00 C ATOM 324 OE1 GLU A 21 26.885 -4.001 -14.695 1.00 0.00 O ATOM 325 OE2 GLU A 21 25.533 -2.513 -15.578 1.00 0.00 O ATOM 0 H GLU A 21 24.529 -4.122 -10.604 1.00 0.00 H new ATOM 0 HA GLU A 21 23.123 -5.748 -12.640 1.00 0.00 H new ATOM 0 HB2 GLU A 21 25.968 -4.733 -12.394 1.00 0.00 H new ATOM 0 HB3 GLU A 21 25.449 -5.907 -13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 21 23.853 -4.279 -14.529 1.00 0.00 H new ATOM 0 HG3 GLU A 21 24.297 -3.109 -13.303 1.00 0.00 H new ATOM 332 N PHE A 22 23.751 -7.877 -11.624 1.00 0.00 N ATOM 333 CA PHE A 22 24.032 -9.122 -10.926 1.00 0.00 C ATOM 334 C PHE A 22 24.126 -10.347 -11.850 1.00 0.00 C ATOM 335 O PHE A 22 23.576 -10.373 -12.933 1.00 0.00 O ATOM 336 CB PHE A 22 22.994 -9.356 -9.810 1.00 0.00 C ATOM 337 CG PHE A 22 23.353 -8.713 -8.499 1.00 0.00 C ATOM 338 CD1 PHE A 22 23.315 -7.348 -8.335 1.00 0.00 C ATOM 339 CD2 PHE A 22 23.769 -9.491 -7.442 1.00 0.00 C ATOM 340 CE1 PHE A 22 23.687 -6.778 -7.126 1.00 0.00 C ATOM 341 CE2 PHE A 22 24.135 -8.932 -6.224 1.00 0.00 C ATOM 342 CZ PHE A 22 24.099 -7.572 -6.077 1.00 0.00 C ATOM 0 H PHE A 22 23.011 -7.932 -12.324 1.00 0.00 H new ATOM 0 HA PHE A 22 25.023 -9.008 -10.486 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.028 -8.972 -10.139 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.875 -10.429 -9.657 1.00 0.00 H new ATOM 0 HD1 PHE A 22 22.994 -6.717 -9.151 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.812 -10.563 -7.563 1.00 0.00 H new ATOM 0 HE1 PHE A 22 23.654 -5.705 -7.006 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.444 -9.563 -5.404 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.393 -7.121 -5.141 1.00 0.00 H new ATOM 352 N PRO A 23 24.965 -11.292 -11.445 1.00 0.00 N ATOM 353 CA PRO A 23 25.118 -12.615 -12.052 1.00 0.00 C ATOM 354 C PRO A 23 23.960 -13.581 -11.707 1.00 0.00 C ATOM 355 O PRO A 23 23.168 -13.330 -10.778 1.00 0.00 O ATOM 356 CB PRO A 23 26.420 -13.128 -11.505 1.00 0.00 C ATOM 357 CG PRO A 23 26.501 -12.525 -10.171 1.00 0.00 C ATOM 358 CD PRO A 23 25.844 -11.169 -10.276 1.00 0.00 C ATOM 0 HA PRO A 23 25.103 -12.548 -13.140 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.431 -14.217 -11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.262 -12.830 -12.130 1.00 0.00 H new ATOM 0 HG2 PRO A 23 25.994 -13.146 -9.433 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.538 -12.430 -9.850 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.279 -10.928 -9.375 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.581 -10.377 -10.412 1.00 0.00 H new ATOM 366 N ILE A 24 23.865 -14.677 -12.460 1.00 0.00 N ATOM 367 CA ILE A 24 22.850 -15.694 -12.217 1.00 0.00 C ATOM 368 C ILE A 24 23.134 -16.469 -10.935 1.00 0.00 C ATOM 369 O ILE A 24 24.271 -16.892 -10.655 1.00 0.00 O ATOM 370 CB ILE A 24 22.742 -16.698 -13.381 1.00 0.00 C ATOM 371 CG1 ILE A 24 22.250 -15.997 -14.636 1.00 0.00 C ATOM 372 CG2 ILE A 24 21.827 -17.862 -13.008 1.00 0.00 C ATOM 373 CD1 ILE A 24 22.358 -16.846 -15.906 1.00 0.00 C ATOM 0 H ILE A 24 24.483 -14.881 -13.246 1.00 0.00 H new ATOM 0 HA ILE A 24 21.906 -15.157 -12.123 1.00 0.00 H new ATOM 0 HB ILE A 24 23.733 -17.105 -13.583 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.209 -15.706 -14.493 1.00 0.00 H new ATOM 0 HG13 ILE A 24 22.821 -15.079 -14.775 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.765 -18.559 -13.844 1.00 0.00 H new ATOM 0 HG22 ILE A 24 22.230 -18.377 -12.136 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.831 -17.483 -12.777 1.00 0.00 H new ATOM 0 HD11 ILE A 24 21.987 -16.276 -16.758 1.00 0.00 H new ATOM 0 HD12 ILE A 24 23.400 -17.116 -16.076 1.00 0.00 H new ATOM 0 HD13 ILE A 24 21.763 -17.752 -15.790 1.00 0.00 H new ATOM 385 N GLY A 25 22.095 -16.633 -10.138 1.00 0.00 N ATOM 386 CA GLY A 25 22.232 -17.311 -8.866 1.00 0.00 C ATOM 387 C GLY A 25 22.619 -16.405 -7.716 1.00 0.00 C ATOM 388 O GLY A 25 23.121 -16.870 -6.700 1.00 0.00 O ATOM 0 H GLY A 25 21.152 -16.307 -10.349 1.00 0.00 H new ATOM 0 HA2 GLY A 25 21.289 -17.801 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.983 -18.095 -8.964 1.00 0.00 H new ATOM 392 N THR A 26 22.379 -15.104 -7.870 1.00 0.00 N ATOM 393 CA THR A 26 22.643 -14.181 -6.781 1.00 0.00 C ATOM 394 C THR A 26 21.334 -13.504 -6.351 1.00 0.00 C ATOM 395 O THR A 26 20.577 -12.997 -7.168 1.00 0.00 O ATOM 396 CB THR A 26 23.680 -13.136 -7.196 1.00 0.00 C ATOM 397 OG1 THR A 26 24.856 -13.831 -7.624 1.00 0.00 O ATOM 398 CG2 THR A 26 24.063 -12.299 -5.995 1.00 0.00 C ATOM 0 H THR A 26 22.011 -14.677 -8.720 1.00 0.00 H new ATOM 0 HA THR A 26 23.049 -14.737 -5.936 1.00 0.00 H new ATOM 0 HB THR A 26 23.272 -12.503 -7.984 1.00 0.00 H new ATOM 0 HG1 THR A 26 25.651 -13.358 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 26 24.802 -11.554 -6.291 1.00 0.00 H new ATOM 0 HG22 THR A 26 23.178 -11.797 -5.605 1.00 0.00 H new ATOM 0 HG23 THR A 26 24.485 -12.942 -5.223 1.00 0.00 H new ATOM 406 N TYR A 27 21.100 -13.529 -5.051 1.00 0.00 N ATOM 407 CA TYR A 27 19.854 -13.076 -4.447 1.00 0.00 C ATOM 408 C TYR A 27 19.966 -11.631 -3.960 1.00 0.00 C ATOM 409 O TYR A 27 20.906 -11.272 -3.272 1.00 0.00 O ATOM 410 CB TYR A 27 19.567 -14.000 -3.220 1.00 0.00 C ATOM 411 CG TYR A 27 19.122 -15.419 -3.527 1.00 0.00 C ATOM 412 CD1 TYR A 27 19.987 -16.352 -4.091 1.00 0.00 C ATOM 413 CD2 TYR A 27 17.845 -15.849 -3.160 1.00 0.00 C ATOM 414 CE1 TYR A 27 19.589 -17.658 -4.306 1.00 0.00 C ATOM 415 CE2 TYR A 27 17.454 -17.156 -3.375 1.00 0.00 C ATOM 416 CZ TYR A 27 18.326 -18.049 -3.947 1.00 0.00 C ATOM 417 OH TYR A 27 17.925 -19.340 -4.158 1.00 0.00 O ATOM 0 H TYR A 27 21.780 -13.870 -4.372 1.00 0.00 H new ATOM 0 HA TYR A 27 19.055 -13.122 -5.187 1.00 0.00 H new ATOM 0 HB2 TYR A 27 20.471 -14.050 -2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 27 18.798 -13.526 -2.609 1.00 0.00 H new ATOM 0 HD1 TYR A 27 20.987 -16.050 -4.366 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.157 -15.153 -2.704 1.00 0.00 H new ATOM 0 HE1 TYR A 27 20.270 -18.366 -4.754 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.462 -17.476 -3.093 1.00 0.00 H new ATOM 0 HH TYR A 27 17.003 -19.451 -3.846 1.00 0.00 H new ATOM 427 N LEU A 28 18.973 -10.818 -4.313 1.00 0.00 N ATOM 428 CA LEU A 28 18.851 -9.456 -3.798 1.00 0.00 C ATOM 429 C LEU A 28 17.744 -9.316 -2.803 1.00 0.00 C ATOM 430 O LEU A 28 16.619 -9.735 -3.037 1.00 0.00 O ATOM 431 CB LEU A 28 18.665 -8.351 -4.849 1.00 0.00 C ATOM 432 CG LEU A 28 19.787 -8.107 -5.842 1.00 0.00 C ATOM 433 CD1 LEU A 28 19.407 -7.054 -6.852 1.00 0.00 C ATOM 434 CD2 LEU A 28 21.054 -7.745 -5.137 1.00 0.00 C ATOM 0 H LEU A 28 18.232 -11.084 -4.962 1.00 0.00 H new ATOM 0 HA LEU A 28 19.826 -9.307 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.763 -8.580 -5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 28 18.480 -7.416 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 28 19.958 -9.036 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.232 -6.903 -7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 28 18.523 -7.379 -7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 28 19.191 -6.118 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 28 21.843 -7.575 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 28 20.899 -6.837 -4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 28 21.346 -8.558 -4.472 1.00 0.00 H new ATOM 446 N ASN A 29 18.083 -8.632 -1.733 1.00 0.00 N ATOM 447 CA ASN A 29 17.208 -8.412 -0.602 1.00 0.00 C ATOM 448 C ASN A 29 15.998 -7.528 -0.920 1.00 0.00 C ATOM 449 O ASN A 29 16.013 -6.328 -0.648 1.00 0.00 O ATOM 450 CB ASN A 29 18.006 -7.736 0.514 1.00 0.00 C ATOM 451 CG ASN A 29 18.989 -8.657 1.222 1.00 0.00 C ATOM 452 OD1 ASN A 29 18.873 -9.876 1.156 1.00 0.00 O ATOM 453 ND2 ASN A 29 19.938 -8.074 1.928 1.00 0.00 N ATOM 0 H ASN A 29 19.001 -8.201 -1.622 1.00 0.00 H new ATOM 0 HA ASN A 29 16.828 -9.391 -0.309 1.00 0.00 H new ATOM 0 HB2 ASN A 29 18.553 -6.892 0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.310 -7.331 1.249 1.00 0.00 H new ATOM 0 HD21 ASN A 29 20.610 -8.641 2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 29 20.000 -7.056 1.957 1.00 0.00 H new ATOM 460 N TYR A 30 15.008 -8.108 -1.550 1.00 0.00 N ATOM 461 CA TYR A 30 13.703 -7.483 -1.652 1.00 0.00 C ATOM 462 C TYR A 30 12.892 -7.719 -0.430 1.00 0.00 C ATOM 463 O TYR A 30 12.870 -8.809 0.116 1.00 0.00 O ATOM 464 CB TYR A 30 12.926 -7.866 -2.919 1.00 0.00 C ATOM 465 CG TYR A 30 13.292 -7.082 -4.175 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.594 -6.694 -4.471 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.275 -6.672 -5.038 1.00 0.00 C ATOM 468 CE1 TYR A 30 14.857 -5.929 -5.589 1.00 0.00 C ATOM 469 CE2 TYR A 30 12.530 -5.920 -6.162 1.00 0.00 C ATOM 470 CZ TYR A 30 13.813 -5.540 -6.428 1.00 0.00 C ATOM 471 OH TYR A 30 14.074 -4.780 -7.535 1.00 0.00 O ATOM 0 H TYR A 30 15.077 -9.018 -2.005 1.00 0.00 H new ATOM 0 HA TYR A 30 13.897 -6.414 -1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.084 -8.927 -3.115 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.862 -7.733 -2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.404 -6.993 -3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.256 -6.954 -4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 30 15.871 -5.632 -5.814 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.726 -5.635 -6.824 1.00 0.00 H new ATOM 0 HH TYR A 30 13.237 -4.597 -8.011 1.00 0.00 H new ATOM 481 N GLU A 31 12.228 -6.702 -0.015 1.00 0.00 N ATOM 482 CA GLU A 31 11.391 -6.763 1.157 1.00 0.00 C ATOM 483 C GLU A 31 10.023 -6.180 0.809 1.00 0.00 C ATOM 484 O GLU A 31 9.937 -5.247 0.006 1.00 0.00 O ATOM 485 CB GLU A 31 12.039 -5.912 2.275 1.00 0.00 C ATOM 486 CG GLU A 31 11.270 -5.889 3.596 1.00 0.00 C ATOM 487 CD GLU A 31 11.304 -7.220 4.316 1.00 0.00 C ATOM 488 OE1 GLU A 31 12.052 -8.129 3.879 1.00 0.00 O ATOM 489 OE2 GLU A 31 10.582 -7.364 5.326 1.00 0.00 O ATOM 0 H GLU A 31 12.241 -5.791 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 31 11.281 -7.794 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.044 -6.291 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.146 -4.888 1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.691 -5.120 4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.234 -5.611 3.403 1.00 0.00 H new ATOM 496 N CYS A 32 8.985 -6.718 1.391 1.00 0.00 N ATOM 497 CA CYS A 32 7.640 -6.197 1.185 1.00 0.00 C ATOM 498 C CYS A 32 7.391 -5.047 2.086 1.00 0.00 C ATOM 499 O CYS A 32 7.969 -4.969 3.178 1.00 0.00 O ATOM 500 CB CYS A 32 6.509 -7.256 1.445 1.00 0.00 C ATOM 501 SG CYS A 32 6.353 -8.599 0.235 1.00 0.00 S ATOM 0 H CYS A 32 9.035 -7.522 2.017 1.00 0.00 H new ATOM 0 HA CYS A 32 7.600 -5.904 0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.678 -7.700 2.426 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.556 -6.730 1.494 1.00 0.00 H new ATOM 506 N ARG A 33 6.586 -4.112 1.614 1.00 0.00 N ATOM 507 CA ARG A 33 6.134 -3.038 2.448 1.00 0.00 C ATOM 508 C ARG A 33 5.493 -3.685 3.683 1.00 0.00 C ATOM 509 O ARG A 33 5.020 -4.835 3.617 1.00 0.00 O ATOM 510 CB ARG A 33 5.153 -2.133 1.652 1.00 0.00 C ATOM 511 CG ARG A 33 4.345 -2.905 0.626 1.00 0.00 C ATOM 512 CD ARG A 33 3.403 -2.012 -0.182 1.00 0.00 C ATOM 513 NE ARG A 33 2.660 -2.820 -1.194 1.00 0.00 N ATOM 514 CZ ARG A 33 1.695 -2.386 -2.008 1.00 0.00 C ATOM 515 NH1 ARG A 33 1.382 -1.110 -2.073 1.00 0.00 N ATOM 516 NH2 ARG A 33 1.053 -3.267 -2.771 1.00 0.00 N ATOM 0 H ARG A 33 6.238 -4.084 0.656 1.00 0.00 H new ATOM 0 HA ARG A 33 6.946 -2.386 2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.474 -1.641 2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.717 -1.348 1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.025 -3.417 -0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.763 -3.674 1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.698 -1.517 0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.973 -1.228 -0.681 1.00 0.00 H new ATOM 0 HE ARG A 33 2.916 -3.804 -1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 33 1.880 -0.433 -1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.642 -0.798 -2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.301 -4.255 -2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.313 -2.954 -3.399 1.00 0.00 H new ATOM 530 N PRO A 34 5.470 -3.001 4.806 1.00 0.00 N ATOM 531 CA PRO A 34 4.988 -3.579 6.081 1.00 0.00 C ATOM 532 C PRO A 34 3.500 -4.030 6.053 1.00 0.00 C ATOM 533 O PRO A 34 2.650 -3.385 5.455 1.00 0.00 O ATOM 534 CB PRO A 34 5.151 -2.424 7.076 1.00 0.00 C ATOM 535 CG PRO A 34 6.092 -1.460 6.424 1.00 0.00 C ATOM 536 CD PRO A 34 5.926 -1.614 4.954 1.00 0.00 C ATOM 0 HA PRO A 34 5.544 -4.484 6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.192 -1.952 7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.550 -2.779 8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.871 -0.438 6.732 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.121 -1.666 6.719 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.198 -0.907 4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.862 -1.440 4.424 1.00 0.00 H new ATOM 544 N GLY A 35 3.200 -5.148 6.765 1.00 0.00 N ATOM 545 CA GLY A 35 1.816 -5.644 6.849 1.00 0.00 C ATOM 546 C GLY A 35 1.290 -6.365 5.598 1.00 0.00 C ATOM 547 O GLY A 35 0.138 -6.220 5.244 1.00 0.00 O ATOM 0 H GLY A 35 3.885 -5.706 7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.745 -6.326 7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.159 -4.801 7.063 1.00 0.00 H new ATOM 551 N TYR A 36 2.155 -7.090 4.897 1.00 0.00 N ATOM 552 CA TYR A 36 1.764 -7.835 3.678 1.00 0.00 C ATOM 553 C TYR A 36 1.778 -9.339 3.846 1.00 0.00 C ATOM 554 O TYR A 36 2.698 -9.918 4.436 1.00 0.00 O ATOM 555 CB TYR A 36 2.580 -7.350 2.507 1.00 0.00 C ATOM 556 CG TYR A 36 2.088 -6.015 2.081 1.00 0.00 C ATOM 557 CD1 TYR A 36 2.234 -4.915 2.897 1.00 0.00 C ATOM 558 CD2 TYR A 36 1.447 -5.844 0.864 1.00 0.00 C ATOM 559 CE1 TYR A 36 1.741 -3.686 2.527 1.00 0.00 C ATOM 560 CE2 TYR A 36 0.970 -4.626 0.485 1.00 0.00 C ATOM 561 CZ TYR A 36 1.109 -3.554 1.328 1.00 0.00 C ATOM 562 OH TYR A 36 0.597 -2.349 0.971 1.00 0.00 O ATOM 0 H TYR A 36 3.140 -7.186 5.144 1.00 0.00 H new ATOM 0 HA TYR A 36 0.715 -7.617 3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.633 -7.290 2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.507 -8.057 1.681 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.744 -5.020 3.843 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.324 -6.691 0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.854 -2.834 3.181 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.486 -4.506 -0.473 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.232 -2.186 1.467 1.00 0.00 H new ATOM 572 N SER A 37 0.733 -9.962 3.308 1.00 0.00 N ATOM 573 CA SER A 37 0.482 -11.402 3.445 1.00 0.00 C ATOM 574 C SER A 37 1.603 -12.250 2.867 1.00 0.00 C ATOM 575 O SER A 37 1.985 -13.260 3.457 1.00 0.00 O ATOM 576 CB SER A 37 -0.854 -11.757 2.782 1.00 0.00 C ATOM 577 OG SER A 37 -1.932 -11.033 3.348 1.00 0.00 O ATOM 0 H SER A 37 0.025 -9.478 2.756 1.00 0.00 H new ATOM 0 HA SER A 37 0.438 -11.627 4.511 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.797 -11.547 1.714 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.039 -12.826 2.887 1.00 0.00 H new ATOM 0 HG SER A 37 -2.766 -11.284 2.899 1.00 0.00 H new ATOM 583 N GLY A 38 2.129 -11.843 1.722 1.00 0.00 N ATOM 584 CA GLY A 38 3.186 -12.584 1.115 1.00 0.00 C ATOM 585 C GLY A 38 4.465 -12.487 1.914 1.00 0.00 C ATOM 586 O GLY A 38 4.754 -11.446 2.496 1.00 0.00 O ATOM 0 H GLY A 38 1.835 -11.011 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.892 -13.630 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.358 -12.212 0.105 1.00 0.00 H new ATOM 590 N ARG A 39 5.210 -13.560 1.923 1.00 0.00 N ATOM 591 CA ARG A 39 6.456 -13.597 2.636 1.00 0.00 C ATOM 592 C ARG A 39 7.541 -13.079 1.728 1.00 0.00 C ATOM 593 O ARG A 39 7.617 -13.503 0.572 1.00 0.00 O ATOM 594 CB ARG A 39 6.772 -15.044 3.053 1.00 0.00 C ATOM 595 CG ARG A 39 7.867 -15.159 4.105 1.00 0.00 C ATOM 596 CD ARG A 39 7.317 -14.962 5.501 1.00 0.00 C ATOM 597 NE ARG A 39 6.637 -16.162 6.018 1.00 0.00 N ATOM 598 CZ ARG A 39 5.712 -16.156 6.990 1.00 0.00 C ATOM 599 NH1 ARG A 39 5.206 -15.001 7.421 1.00 0.00 N ATOM 600 NH2 ARG A 39 5.287 -17.293 7.513 1.00 0.00 N ATOM 0 H ARG A 39 4.972 -14.426 1.440 1.00 0.00 H new ATOM 0 HA ARG A 39 6.393 -12.979 3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.863 -15.508 3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.070 -15.609 2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.340 -16.138 4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.641 -14.416 3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.131 -14.693 6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.617 -14.126 5.497 1.00 0.00 H new ATOM 0 HE ARG A 39 6.887 -17.062 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.522 -14.122 7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.503 -14.996 8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.662 -18.180 7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.584 -17.283 8.252 1.00 0.00 H new ATOM 614 N PRO A 40 8.373 -12.128 2.203 1.00 0.00 N ATOM 615 CA PRO A 40 9.432 -11.559 1.384 1.00 0.00 C ATOM 616 C PRO A 40 10.444 -12.601 0.937 1.00 0.00 C ATOM 617 O PRO A 40 10.782 -13.528 1.687 1.00 0.00 O ATOM 618 CB PRO A 40 10.133 -10.570 2.314 1.00 0.00 C ATOM 619 CG PRO A 40 9.193 -10.330 3.433 1.00 0.00 C ATOM 620 CD PRO A 40 8.319 -11.538 3.548 1.00 0.00 C ATOM 0 HA PRO A 40 9.022 -11.115 0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.077 -10.977 2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.366 -9.641 1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.737 -10.160 4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.594 -9.439 3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.688 -12.230 4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.300 -11.271 3.829 1.00 0.00 H new ATOM 628 N PHE A 41 10.906 -12.453 -0.280 1.00 0.00 N ATOM 629 CA PHE A 41 11.979 -13.271 -0.808 1.00 0.00 C ATOM 630 C PHE A 41 12.957 -12.424 -1.599 1.00 0.00 C ATOM 631 O PHE A 41 12.564 -11.442 -2.226 1.00 0.00 O ATOM 632 CB PHE A 41 11.451 -14.451 -1.667 1.00 0.00 C ATOM 633 CG PHE A 41 10.702 -15.512 -0.901 1.00 0.00 C ATOM 634 CD1 PHE A 41 11.383 -16.565 -0.294 1.00 0.00 C ATOM 635 CD2 PHE A 41 9.325 -15.471 -0.800 1.00 0.00 C ATOM 636 CE1 PHE A 41 10.692 -17.542 0.393 1.00 0.00 C ATOM 637 CE2 PHE A 41 8.624 -16.450 -0.113 1.00 0.00 C ATOM 638 CZ PHE A 41 9.315 -17.490 0.491 1.00 0.00 C ATOM 0 H PHE A 41 10.549 -11.760 -0.938 1.00 0.00 H new ATOM 0 HA PHE A 41 12.501 -13.706 0.044 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.795 -14.052 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.295 -14.918 -2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 41 12.460 -16.617 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.784 -14.660 -1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.232 -18.354 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.547 -16.403 -0.049 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.780 -18.254 1.035 1.00 0.00 H new ATOM 648 N SER A 42 14.200 -12.798 -1.582 1.00 0.00 N ATOM 649 CA SER A 42 15.198 -12.127 -2.403 1.00 0.00 C ATOM 650 C SER A 42 15.005 -12.474 -3.897 1.00 0.00 C ATOM 651 O SER A 42 14.585 -13.586 -4.226 1.00 0.00 O ATOM 652 CB SER A 42 16.580 -12.527 -1.920 1.00 0.00 C ATOM 653 OG SER A 42 16.793 -12.136 -0.574 1.00 0.00 O ATOM 0 H SER A 42 14.561 -13.563 -1.013 1.00 0.00 H new ATOM 0 HA SER A 42 15.084 -11.047 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.700 -13.607 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 42 17.336 -12.069 -2.557 1.00 0.00 H new ATOM 0 HG SER A 42 17.691 -12.409 -0.292 1.00 0.00 H new ATOM 659 N ILE A 43 15.312 -11.524 -4.791 1.00 0.00 N ATOM 660 CA ILE A 43 15.201 -11.759 -6.248 1.00 0.00 C ATOM 661 C ILE A 43 16.492 -12.292 -6.805 1.00 0.00 C ATOM 662 O ILE A 43 17.565 -11.779 -6.499 1.00 0.00 O ATOM 663 CB ILE A 43 14.765 -10.484 -7.073 1.00 0.00 C ATOM 664 CG1 ILE A 43 15.748 -9.342 -6.909 1.00 0.00 C ATOM 665 CG2 ILE A 43 13.392 -10.046 -6.705 1.00 0.00 C ATOM 666 CD1 ILE A 43 15.445 -8.175 -7.814 1.00 0.00 C ATOM 0 H ILE A 43 15.637 -10.591 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 43 14.407 -12.497 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 43 14.763 -10.773 -8.124 1.00 0.00 H new ATOM 0 HG12 ILE A 43 15.736 -9.005 -5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.755 -9.704 -7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 43 13.122 -9.167 -7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.686 -10.850 -6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.361 -9.799 -5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.182 -7.388 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 43 15.484 -8.501 -8.853 1.00 0.00 H new ATOM 0 HD13 ILE A 43 14.449 -7.791 -7.592 1.00 0.00 H new ATOM 678 N ILE A 44 16.397 -13.352 -7.581 1.00 0.00 N ATOM 679 CA ILE A 44 17.568 -14.005 -8.136 1.00 0.00 C ATOM 680 C ILE A 44 17.552 -13.905 -9.662 1.00 0.00 C ATOM 681 O ILE A 44 16.536 -14.222 -10.285 1.00 0.00 O ATOM 682 CB ILE A 44 17.626 -15.498 -7.754 1.00 0.00 C ATOM 683 CG1 ILE A 44 17.179 -15.694 -6.325 1.00 0.00 C ATOM 684 CG2 ILE A 44 19.061 -15.961 -7.876 1.00 0.00 C ATOM 685 CD1 ILE A 44 15.674 -15.926 -6.185 1.00 0.00 C ATOM 0 H ILE A 44 15.512 -13.784 -7.845 1.00 0.00 H new ATOM 0 HA ILE A 44 18.441 -13.498 -7.724 1.00 0.00 H new ATOM 0 HB ILE A 44 16.970 -16.066 -8.413 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.711 -16.545 -5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 44 17.460 -14.818 -5.741 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.127 -17.016 -7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 44 19.402 -15.823 -8.902 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.690 -15.378 -7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.423 -16.059 -5.133 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.135 -15.065 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.390 -16.819 -6.741 1.00 0.00 H new ATOM 697 N CYS A 45 18.636 -13.421 -10.255 1.00 0.00 N ATOM 698 CA CYS A 45 18.774 -13.335 -11.726 1.00 0.00 C ATOM 699 C CYS A 45 18.809 -14.754 -12.300 1.00 0.00 C ATOM 700 O CYS A 45 19.867 -15.331 -12.506 1.00 0.00 O ATOM 701 CB CYS A 45 20.075 -12.604 -12.038 1.00 0.00 C ATOM 702 SG CYS A 45 20.057 -11.483 -13.471 1.00 0.00 S ATOM 0 H CYS A 45 19.448 -13.075 -9.744 1.00 0.00 H new ATOM 0 HA CYS A 45 17.937 -12.795 -12.169 1.00 0.00 H new ATOM 0 HB2 CYS A 45 20.361 -12.028 -11.158 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.854 -13.349 -12.198 1.00 0.00 H new ATOM 707 N LEU A 46 17.628 -15.349 -12.467 1.00 0.00 N ATOM 708 CA LEU A 46 17.519 -16.750 -12.886 1.00 0.00 C ATOM 709 C LEU A 46 17.204 -16.970 -14.370 1.00 0.00 C ATOM 710 O LEU A 46 17.886 -17.707 -15.056 1.00 0.00 O ATOM 711 CB LEU A 46 16.471 -17.445 -12.040 1.00 0.00 C ATOM 712 CG LEU A 46 16.748 -17.438 -10.536 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.599 -18.067 -9.777 1.00 0.00 C ATOM 714 CD2 LEU A 46 18.064 -18.156 -10.228 1.00 0.00 C ATOM 0 H LEU A 46 16.732 -14.884 -12.319 1.00 0.00 H new ATOM 0 HA LEU A 46 18.511 -17.176 -12.736 1.00 0.00 H new ATOM 0 HB2 LEU A 46 15.507 -16.969 -12.219 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.383 -18.479 -12.374 1.00 0.00 H new ATOM 0 HG LEU A 46 16.841 -16.402 -10.209 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.817 -18.052 -8.709 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.685 -17.505 -9.969 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.467 -19.098 -10.106 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.244 -18.141 -9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.004 -19.189 -10.571 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.883 -17.651 -10.740 1.00 0.00 H new ATOM 726 N LYS A 47 16.134 -16.308 -14.848 1.00 0.00 N ATOM 727 CA LYS A 47 15.619 -16.549 -16.208 1.00 0.00 C ATOM 728 C LYS A 47 16.512 -16.207 -17.381 1.00 0.00 C ATOM 729 O LYS A 47 17.365 -16.982 -17.762 1.00 0.00 O ATOM 730 CB LYS A 47 14.195 -16.073 -16.381 1.00 0.00 C ATOM 731 CG LYS A 47 13.655 -16.374 -17.758 1.00 0.00 C ATOM 732 CD LYS A 47 12.220 -16.112 -17.820 1.00 0.00 C ATOM 733 CE LYS A 47 11.638 -17.306 -17.105 1.00 0.00 C ATOM 734 NZ LYS A 47 10.150 -17.438 -17.233 1.00 0.00 N ATOM 0 H LYS A 47 15.614 -15.609 -14.318 1.00 0.00 H new ATOM 0 HA LYS A 47 15.623 -17.638 -16.259 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.561 -16.549 -15.632 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.149 -14.999 -16.202 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.173 -15.764 -18.498 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.850 -17.416 -18.011 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.957 -15.176 -17.327 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.864 -16.042 -18.848 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.106 -18.211 -17.493 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.896 -17.243 -16.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.830 -18.281 -16.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.691 -16.593 -16.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.895 -17.531 -18.237 1.00 0.00 H new ATOM 748 N ASN A 48 16.309 -15.074 -17.917 1.00 0.00 N ATOM 749 CA ASN A 48 17.065 -14.615 -19.080 1.00 0.00 C ATOM 750 C ASN A 48 18.156 -13.683 -18.620 1.00 0.00 C ATOM 751 O ASN A 48 18.519 -12.754 -19.329 1.00 0.00 O ATOM 752 CB ASN A 48 16.152 -13.915 -20.081 1.00 0.00 C ATOM 753 CG ASN A 48 15.183 -14.882 -20.792 1.00 0.00 C ATOM 754 OD1 ASN A 48 15.399 -16.082 -20.841 1.00 0.00 O ATOM 755 ND2 ASN A 48 14.096 -14.340 -21.322 1.00 0.00 N ATOM 0 H ASN A 48 15.613 -14.407 -17.582 1.00 0.00 H new ATOM 0 HA ASN A 48 17.507 -15.476 -19.582 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.576 -13.147 -19.564 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.762 -13.407 -20.828 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.408 -14.930 -21.789 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.948 -13.333 -21.263 1.00 0.00 H new ATOM 762 N SER A 49 18.685 -13.961 -17.431 1.00 0.00 N ATOM 763 CA SER A 49 19.572 -13.065 -16.738 1.00 0.00 C ATOM 764 C SER A 49 18.870 -11.758 -16.431 1.00 0.00 C ATOM 765 O SER A 49 19.488 -10.707 -16.341 1.00 0.00 O ATOM 766 CB SER A 49 20.878 -12.842 -17.500 1.00 0.00 C ATOM 767 OG SER A 49 21.431 -14.083 -17.919 1.00 0.00 O ATOM 0 H SER A 49 18.500 -14.828 -16.926 1.00 0.00 H new ATOM 0 HA SER A 49 19.846 -13.534 -15.793 1.00 0.00 H new ATOM 0 HB2 SER A 49 20.695 -12.208 -18.367 1.00 0.00 H new ATOM 0 HB3 SER A 49 21.591 -12.316 -16.865 1.00 0.00 H new ATOM 0 HG SER A 49 22.266 -13.921 -18.407 1.00 0.00 H new ATOM 773 N VAL A 50 17.549 -11.842 -16.276 1.00 0.00 N ATOM 774 CA VAL A 50 16.801 -10.727 -15.806 1.00 0.00 C ATOM 775 C VAL A 50 16.582 -10.925 -14.295 1.00 0.00 C ATOM 776 O VAL A 50 17.461 -10.688 -13.527 1.00 0.00 O ATOM 777 CB VAL A 50 15.435 -10.559 -16.540 1.00 0.00 C ATOM 778 CG1 VAL A 50 14.709 -9.283 -16.094 1.00 0.00 C ATOM 779 CG2 VAL A 50 15.656 -10.534 -18.034 1.00 0.00 C ATOM 0 H VAL A 50 16.997 -12.676 -16.474 1.00 0.00 H new ATOM 0 HA VAL A 50 17.360 -9.814 -16.011 1.00 0.00 H new ATOM 0 HB VAL A 50 14.805 -11.409 -16.278 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.761 -9.199 -16.626 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.520 -9.328 -15.021 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.329 -8.415 -16.317 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.699 -10.416 -18.542 1.00 0.00 H new ATOM 0 HG22 VAL A 50 16.308 -9.699 -18.291 1.00 0.00 H new ATOM 0 HG23 VAL A 50 16.121 -11.468 -18.349 1.00 0.00 H new ATOM 789 N TRP A 51 15.404 -11.399 -13.893 1.00 0.00 N ATOM 790 CA TRP A 51 15.124 -11.693 -12.480 1.00 0.00 C ATOM 791 C TRP A 51 14.055 -12.743 -12.352 1.00 0.00 C ATOM 792 O TRP A 51 13.367 -13.051 -13.324 1.00 0.00 O ATOM 793 CB TRP A 51 14.746 -10.435 -11.681 1.00 0.00 C ATOM 794 CG TRP A 51 15.895 -9.464 -11.515 1.00 0.00 C ATOM 795 CD1 TRP A 51 16.089 -8.304 -12.196 1.00 0.00 C ATOM 796 CD2 TRP A 51 17.018 -9.606 -10.630 1.00 0.00 C ATOM 797 NE1 TRP A 51 17.257 -7.718 -11.795 1.00 0.00 N ATOM 798 CE2 TRP A 51 17.841 -8.491 -10.827 1.00 0.00 C ATOM 799 CE3 TRP A 51 17.392 -10.554 -9.697 1.00 0.00 C ATOM 800 CZ2 TRP A 51 19.024 -8.298 -10.127 1.00 0.00 C ATOM 801 CZ3 TRP A 51 18.568 -10.377 -8.996 1.00 0.00 C ATOM 802 CH2 TRP A 51 19.368 -9.260 -9.209 1.00 0.00 C ATOM 0 H TRP A 51 14.625 -11.589 -14.523 1.00 0.00 H new ATOM 0 HA TRP A 51 16.048 -12.079 -12.050 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.921 -9.929 -12.182 1.00 0.00 H new ATOM 0 HB3 TRP A 51 14.386 -10.733 -10.696 1.00 0.00 H new ATOM 0 HD1 TRP A 51 15.419 -7.904 -12.943 1.00 0.00 H new ATOM 0 HE1 TRP A 51 17.634 -6.843 -12.159 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.773 -11.421 -9.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 19.645 -7.431 -10.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.871 -11.118 -8.271 1.00 0.00 H new ATOM 0 HH2 TRP A 51 20.279 -9.146 -8.641 1.00 0.00 H new ATOM 813 N THR A 52 13.937 -13.313 -11.165 1.00 0.00 N ATOM 814 CA THR A 52 12.833 -14.209 -10.867 1.00 0.00 C ATOM 815 C THR A 52 11.527 -13.415 -10.919 1.00 0.00 C ATOM 816 O THR A 52 10.480 -13.938 -11.311 1.00 0.00 O ATOM 817 CB THR A 52 13.003 -14.923 -9.501 1.00 0.00 C ATOM 818 OG1 THR A 52 11.983 -15.910 -9.347 1.00 0.00 O ATOM 819 CG2 THR A 52 12.981 -13.956 -8.318 1.00 0.00 C ATOM 0 H THR A 52 14.590 -13.172 -10.394 1.00 0.00 H new ATOM 0 HA THR A 52 12.815 -14.999 -11.618 1.00 0.00 H new ATOM 0 HB THR A 52 13.986 -15.394 -9.502 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.092 -16.362 -8.484 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.104 -14.514 -7.390 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.794 -13.237 -8.420 1.00 0.00 H new ATOM 0 HG23 THR A 52 12.029 -13.426 -8.299 1.00 0.00 H new ATOM 827 N GLY A 53 11.611 -12.159 -10.491 1.00 0.00 N ATOM 828 CA GLY A 53 10.486 -11.263 -10.549 1.00 0.00 C ATOM 829 C GLY A 53 10.101 -10.700 -9.204 1.00 0.00 C ATOM 830 O GLY A 53 10.155 -9.496 -9.010 1.00 0.00 O ATOM 0 H GLY A 53 12.458 -11.747 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.720 -10.441 -11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.631 -11.791 -10.972 1.00 0.00 H new ATOM 834 N ALA A 54 9.748 -11.571 -8.272 1.00 0.00 N ATOM 835 CA ALA A 54 9.250 -11.164 -6.954 1.00 0.00 C ATOM 836 C ALA A 54 8.220 -10.056 -7.066 1.00 0.00 C ATOM 837 O ALA A 54 8.170 -9.161 -6.235 1.00 0.00 O ATOM 838 CB ALA A 54 10.394 -10.752 -6.041 1.00 0.00 C ATOM 0 H ALA A 54 9.796 -12.582 -8.401 1.00 0.00 H new ATOM 0 HA ALA A 54 8.757 -12.029 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.996 -10.455 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.077 -11.592 -5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.930 -9.913 -6.485 1.00 0.00 H new ATOM 844 N LYS A 55 7.343 -10.158 -8.045 1.00 0.00 N ATOM 845 CA LYS A 55 6.330 -9.154 -8.235 1.00 0.00 C ATOM 846 C LYS A 55 4.995 -9.768 -7.843 1.00 0.00 C ATOM 847 O LYS A 55 4.859 -10.993 -7.830 1.00 0.00 O ATOM 848 CB LYS A 55 6.225 -8.708 -9.676 1.00 0.00 C ATOM 849 CG LYS A 55 5.570 -9.739 -10.508 1.00 0.00 C ATOM 850 CD LYS A 55 5.454 -9.314 -11.920 1.00 0.00 C ATOM 851 CE LYS A 55 4.768 -10.399 -12.699 1.00 0.00 C ATOM 852 NZ LYS A 55 4.603 -10.039 -14.146 1.00 0.00 N ATOM 0 H LYS A 55 7.316 -10.926 -8.716 1.00 0.00 H new ATOM 0 HA LYS A 55 6.592 -8.286 -7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.659 -7.778 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.220 -8.499 -10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.140 -10.666 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.578 -9.951 -10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.888 -8.385 -11.989 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.442 -9.117 -12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.344 -11.321 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.789 -10.595 -12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.125 -10.816 -14.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.032 -9.174 -14.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.538 -9.877 -14.572 1.00 0.00 H new ATOM 866 N ASP A 56 4.049 -8.913 -7.506 1.00 0.00 N ATOM 867 CA ASP A 56 2.726 -9.296 -7.036 1.00 0.00 C ATOM 868 C ASP A 56 2.843 -10.241 -5.846 1.00 0.00 C ATOM 869 O ASP A 56 1.866 -10.903 -5.452 1.00 0.00 O ATOM 870 CB ASP A 56 1.920 -9.940 -8.207 1.00 0.00 C ATOM 871 CG ASP A 56 1.497 -8.917 -9.243 1.00 0.00 C ATOM 872 OD1 ASP A 56 1.557 -7.717 -8.943 1.00 0.00 O ATOM 873 OD2 ASP A 56 1.105 -9.326 -10.375 1.00 0.00 O ATOM 0 H ASP A 56 4.181 -7.903 -7.552 1.00 0.00 H new ATOM 0 HA ASP A 56 2.186 -8.411 -6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.528 -10.708 -8.685 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.036 -10.436 -7.807 1.00 0.00 H new ATOM 878 N ARG A 57 4.042 -10.276 -5.262 1.00 0.00 N ATOM 879 CA ARG A 57 4.334 -11.143 -4.129 1.00 0.00 C ATOM 880 C ARG A 57 3.563 -10.744 -2.890 1.00 0.00 C ATOM 881 O ARG A 57 3.084 -11.572 -2.144 1.00 0.00 O ATOM 882 CB ARG A 57 5.797 -11.082 -3.751 1.00 0.00 C ATOM 883 CG ARG A 57 6.743 -11.522 -4.826 1.00 0.00 C ATOM 884 CD ARG A 57 6.547 -12.947 -5.236 1.00 0.00 C ATOM 885 NE ARG A 57 6.936 -13.917 -4.221 1.00 0.00 N ATOM 886 CZ ARG A 57 6.788 -15.240 -4.391 1.00 0.00 C ATOM 887 NH1 ARG A 57 6.153 -15.715 -5.456 1.00 0.00 N ATOM 888 NH2 ARG A 57 7.243 -16.087 -3.481 1.00 0.00 N ATOM 0 H ARG A 57 4.832 -9.705 -5.563 1.00 0.00 H new ATOM 0 HA ARG A 57 4.048 -12.144 -4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.042 -10.058 -3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.956 -11.703 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.617 -10.879 -5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.767 -11.389 -4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.497 -13.101 -5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.122 -13.135 -6.143 1.00 0.00 H new ATOM 0 HE ARG A 57 7.337 -13.577 -3.347 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.774 -15.073 -6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.045 -16.722 -5.578 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.709 -15.735 -2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.127 -17.091 -3.616 1.00 0.00 H new ATOM 902 N CYS A 58 3.472 -9.445 -2.701 1.00 0.00 N ATOM 903 CA CYS A 58 2.983 -8.876 -1.454 1.00 0.00 C ATOM 904 C CYS A 58 1.509 -8.581 -1.637 1.00 0.00 C ATOM 905 O CYS A 58 1.094 -8.118 -2.702 1.00 0.00 O ATOM 906 CB CYS A 58 3.714 -7.565 -1.203 1.00 0.00 C ATOM 907 SG CYS A 58 5.569 -7.643 -1.372 1.00 0.00 S ATOM 0 H CYS A 58 3.733 -8.752 -3.402 1.00 0.00 H new ATOM 0 HA CYS A 58 3.144 -9.559 -0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.333 -6.817 -1.898 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.471 -7.219 -0.198 1.00 0.00 H new ATOM 912 N ARG A 59 0.719 -8.820 -0.624 1.00 0.00 N ATOM 913 CA ARG A 59 -0.696 -8.664 -0.806 1.00 0.00 C ATOM 914 C ARG A 59 -1.292 -7.741 0.264 1.00 0.00 C ATOM 915 O ARG A 59 -0.993 -7.861 1.442 1.00 0.00 O ATOM 916 CB ARG A 59 -1.309 -10.056 -0.715 1.00 0.00 C ATOM 917 CG ARG A 59 -0.807 -10.946 -1.861 1.00 0.00 C ATOM 918 CD ARG A 59 -1.284 -12.372 -1.778 1.00 0.00 C ATOM 919 NE ARG A 59 -2.730 -12.506 -1.921 1.00 0.00 N ATOM 920 CZ ARG A 59 -3.350 -12.637 -3.117 1.00 0.00 C ATOM 921 NH1 ARG A 59 -2.653 -12.569 -4.254 1.00 0.00 N ATOM 922 NH2 ARG A 59 -4.672 -12.834 -3.174 1.00 0.00 N ATOM 0 H ARG A 59 1.019 -9.114 0.306 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.909 -8.205 -1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.054 -10.509 0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.396 -9.983 -0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.132 -10.519 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.283 -10.937 -1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.793 -12.958 -2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.980 -12.794 -0.820 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.303 -12.501 -1.077 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.645 -12.417 -4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.129 -12.669 -5.151 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.217 -12.886 -2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.135 -12.932 -4.078 1.00 0.00 H new ATOM 936 N ARG A 60 -2.145 -6.847 -0.197 1.00 0.00 N ATOM 937 CA ARG A 60 -2.899 -5.918 0.611 1.00 0.00 C ATOM 938 C ARG A 60 -4.315 -6.500 0.837 1.00 0.00 C ATOM 939 O ARG A 60 -4.697 -7.484 0.197 1.00 0.00 O ATOM 940 CB ARG A 60 -3.073 -4.613 -0.164 1.00 0.00 C ATOM 941 CG ARG A 60 -3.925 -4.819 -1.416 1.00 0.00 C ATOM 942 CD ARG A 60 -4.107 -3.553 -2.195 1.00 0.00 C ATOM 943 NE ARG A 60 -4.974 -3.730 -3.395 1.00 0.00 N ATOM 944 CZ ARG A 60 -4.563 -3.716 -4.683 1.00 0.00 C ATOM 945 NH1 ARG A 60 -3.298 -3.465 -5.002 1.00 0.00 N ATOM 946 NH2 ARG A 60 -5.446 -3.945 -5.651 1.00 0.00 N ATOM 0 H ARG A 60 -2.338 -6.747 -1.194 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.380 -5.749 1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.541 -3.866 0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.095 -4.223 -0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.456 -5.570 -2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.901 -5.209 -1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.543 -2.793 -1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.131 -3.182 -2.509 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.970 -3.875 -3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.615 -3.278 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.010 -3.460 -5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.422 -4.129 -5.418 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.147 -3.937 -6.626 1.00 0.00 H new ATOM 960 N LYS A 61 -5.066 -5.918 1.733 1.00 0.00 N ATOM 961 CA LYS A 61 -6.437 -6.329 1.966 1.00 0.00 C ATOM 962 C LYS A 61 -7.404 -5.234 1.544 1.00 0.00 C ATOM 963 O LYS A 61 -7.036 -4.069 1.441 1.00 0.00 O ATOM 964 CB LYS A 61 -6.691 -6.633 3.421 1.00 0.00 C ATOM 965 CG LYS A 61 -8.101 -7.076 3.659 1.00 0.00 C ATOM 966 CD LYS A 61 -8.366 -7.376 5.084 1.00 0.00 C ATOM 967 CE LYS A 61 -9.804 -7.807 5.242 1.00 0.00 C ATOM 968 NZ LYS A 61 -10.021 -9.227 4.835 1.00 0.00 N ATOM 0 H LYS A 61 -4.752 -5.148 2.323 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.596 -7.230 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.004 -7.411 3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.483 -5.746 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.785 -6.298 3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.306 -7.963 3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.698 -8.163 5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.168 -6.496 5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.106 -7.680 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.443 -7.158 4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.020 -9.480 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.775 -9.342 3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.420 -9.849 5.412 1.00 0.00 H new ATOM 982 N SER A 62 -8.620 -5.651 1.224 1.00 0.00 N ATOM 983 CA SER A 62 -9.687 -4.754 0.944 1.00 0.00 C ATOM 984 C SER A 62 -10.106 -4.041 2.231 1.00 0.00 C ATOM 985 O SER A 62 -10.131 -4.635 3.318 1.00 0.00 O ATOM 986 CB SER A 62 -10.866 -5.518 0.348 1.00 0.00 C ATOM 987 OG SER A 62 -11.950 -4.652 0.054 1.00 0.00 O ATOM 0 H SER A 62 -8.877 -6.636 1.156 1.00 0.00 H new ATOM 0 HA SER A 62 -9.356 -4.010 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.549 -6.027 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.193 -6.288 1.047 1.00 0.00 H new ATOM 0 HG SER A 62 -12.689 -5.171 -0.328 1.00 0.00 H new ATOM 993 N CYS A 63 -10.437 -2.783 2.099 1.00 0.00 N ATOM 994 CA CYS A 63 -10.817 -1.938 3.218 1.00 0.00 C ATOM 995 C CYS A 63 -12.317 -2.022 3.464 1.00 0.00 C ATOM 996 O CYS A 63 -13.067 -2.468 2.595 1.00 0.00 O ATOM 997 CB CYS A 63 -10.364 -0.509 2.953 1.00 0.00 C ATOM 998 SG CYS A 63 -8.929 -0.008 3.958 1.00 0.00 S ATOM 0 H CYS A 63 -10.453 -2.302 1.200 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.323 -2.288 4.125 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.113 -0.405 1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.193 0.170 3.152 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.756 -1.671 4.666 1.00 0.00 N ATOM 1004 CA ARG A 64 -14.184 -1.717 4.997 1.00 0.00 C ATOM 1005 C ARG A 64 -14.562 -0.447 5.706 1.00 0.00 C ATOM 1006 O ARG A 64 -13.767 0.074 6.494 1.00 0.00 O ATOM 1007 CB ARG A 64 -14.531 -2.916 5.870 1.00 0.00 C ATOM 1008 CG ARG A 64 -13.921 -2.948 7.274 1.00 0.00 C ATOM 1009 CD ARG A 64 -12.451 -3.249 7.252 1.00 0.00 C ATOM 1010 NE ARG A 64 -11.922 -3.380 8.593 1.00 0.00 N ATOM 1011 CZ ARG A 64 -10.835 -4.063 8.881 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -10.099 -4.570 7.902 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -10.494 -4.266 10.147 1.00 0.00 N ATOM 0 H ARG A 64 -12.154 -1.353 5.426 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.745 -1.818 4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.615 -2.961 5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.222 -3.820 5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.085 -1.986 7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.434 -3.700 7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.274 -4.170 6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.922 -2.454 6.726 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.418 -2.918 9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.376 -4.430 6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.255 -5.100 8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.075 -3.892 10.898 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.651 -4.796 10.370 1.00 0.00 H new ATOM 1027 N ASN A 65 -15.763 0.019 5.489 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.156 1.318 6.002 1.00 0.00 C ATOM 1029 C ASN A 65 -17.628 1.378 6.417 1.00 0.00 C ATOM 1030 O ASN A 65 -18.500 1.695 5.610 1.00 0.00 O ATOM 1031 CB ASN A 65 -15.828 2.383 4.925 1.00 0.00 C ATOM 1032 CG ASN A 65 -16.476 3.741 5.139 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -16.011 4.539 5.918 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -17.556 3.994 4.414 1.00 0.00 N ATOM 0 H ASN A 65 -16.487 -0.472 4.965 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.594 1.516 6.914 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.747 2.516 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.137 2.000 3.952 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.030 4.893 4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.913 3.290 3.768 1.00 0.00 H new ATOM 1041 N PRO A 66 -17.935 0.974 7.670 1.00 0.00 N ATOM 1042 CA PRO A 66 -19.255 1.176 8.230 1.00 0.00 C ATOM 1043 C PRO A 66 -19.402 2.369 9.272 1.00 0.00 C ATOM 1044 O PRO A 66 -20.415 2.402 9.964 1.00 0.00 O ATOM 1045 CB PRO A 66 -19.485 -0.165 8.944 1.00 0.00 C ATOM 1046 CG PRO A 66 -18.116 -0.645 9.348 1.00 0.00 C ATOM 1047 CD PRO A 66 -17.097 0.156 8.543 1.00 0.00 C ATOM 0 HA PRO A 66 -19.966 1.454 7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.130 -0.041 9.814 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.974 -0.882 8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.959 -0.502 10.417 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -18.009 -1.712 9.150 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -16.466 0.769 9.187 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.433 -0.494 7.972 1.00 0.00 H new ATOM 1055 N PRO A 67 -18.367 3.315 9.474 1.00 0.00 N ATOM 1056 CA PRO A 67 -18.508 4.397 10.454 1.00 0.00 C ATOM 1057 C PRO A 67 -19.771 5.202 10.177 1.00 0.00 C ATOM 1058 O PRO A 67 -20.545 5.524 11.086 1.00 0.00 O ATOM 1059 CB PRO A 67 -17.345 5.319 10.149 1.00 0.00 C ATOM 1060 CG PRO A 67 -16.354 4.503 9.447 1.00 0.00 C ATOM 1061 CD PRO A 67 -17.073 3.394 8.786 1.00 0.00 C ATOM 0 HA PRO A 67 -18.541 4.010 11.473 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -17.665 6.159 9.533 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -16.928 5.736 11.065 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.816 5.102 8.712 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.613 4.116 10.146 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -17.204 3.588 7.721 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.521 2.458 8.874 1.00 0.00 H new ATOM 1069 N ASP A 68 -19.966 5.437 8.853 1.00 0.00 N ATOM 1070 CA ASP A 68 -21.034 6.272 8.250 1.00 0.00 C ATOM 1071 C ASP A 68 -21.328 7.598 8.978 1.00 0.00 C ATOM 1072 O ASP A 68 -21.486 7.662 10.192 1.00 0.00 O ATOM 1073 CB ASP A 68 -22.318 5.496 7.940 1.00 0.00 C ATOM 1074 CG ASP A 68 -23.152 5.071 9.155 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -23.787 5.944 9.803 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -23.221 3.844 9.427 1.00 0.00 O ATOM 0 H ASP A 68 -19.354 5.030 8.146 1.00 0.00 H new ATOM 0 HA ASP A 68 -20.598 6.567 7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.943 6.109 7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -22.052 4.602 7.375 1.00 0.00 H new ATOM 1081 N PRO A 69 -21.389 8.682 8.218 1.00 0.00 N ATOM 1082 CA PRO A 69 -21.701 9.995 8.738 1.00 0.00 C ATOM 1083 C PRO A 69 -23.166 10.049 9.134 1.00 0.00 C ATOM 1084 O PRO A 69 -23.971 9.318 8.560 1.00 0.00 O ATOM 1085 CB PRO A 69 -21.386 10.921 7.560 1.00 0.00 C ATOM 1086 CG PRO A 69 -21.678 10.089 6.375 1.00 0.00 C ATOM 1087 CD PRO A 69 -21.263 8.682 6.764 1.00 0.00 C ATOM 0 HA PRO A 69 -21.142 10.270 9.632 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.003 11.820 7.581 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.346 11.248 7.574 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -22.736 10.130 6.116 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -21.123 10.436 5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.907 7.932 6.305 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.243 8.462 6.449 1.00 0.00 H new ATOM 1095 N VAL A 70 -23.503 10.908 10.066 1.00 0.00 N ATOM 1096 CA VAL A 70 -24.878 10.935 10.565 1.00 0.00 C ATOM 1097 C VAL A 70 -25.852 11.289 9.435 1.00 0.00 C ATOM 1098 O VAL A 70 -26.885 10.658 9.286 1.00 0.00 O ATOM 1099 CB VAL A 70 -25.038 11.981 11.701 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -26.494 12.096 12.124 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -24.135 11.642 12.882 1.00 0.00 C ATOM 0 H VAL A 70 -22.871 11.586 10.492 1.00 0.00 H new ATOM 0 HA VAL A 70 -25.104 9.942 10.953 1.00 0.00 H new ATOM 0 HB VAL A 70 -24.727 12.954 11.320 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -26.584 12.834 12.921 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -27.097 12.407 11.271 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -26.846 11.129 12.484 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -24.265 12.389 13.665 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -24.399 10.659 13.271 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -23.095 11.636 12.555 1.00 0.00 H new ATOM 1111 N ASN A 71 -25.517 12.326 8.651 1.00 0.00 N ATOM 1112 CA ASN A 71 -26.339 12.663 7.493 1.00 0.00 C ATOM 1113 C ASN A 71 -26.301 11.527 6.474 1.00 0.00 C ATOM 1114 O ASN A 71 -27.316 11.143 5.905 1.00 0.00 O ATOM 1115 CB ASN A 71 -25.926 13.966 6.824 1.00 0.00 C ATOM 1116 CG ASN A 71 -26.778 14.263 5.607 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -26.426 13.918 4.488 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -27.927 14.866 5.830 1.00 0.00 N ATOM 0 H ASN A 71 -24.705 12.927 8.796 1.00 0.00 H new ATOM 0 HA ASN A 71 -27.354 12.803 7.864 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -26.012 14.785 7.538 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -24.878 13.908 6.530 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -28.560 15.061 5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -28.184 15.138 6.779 1.00 0.00 H new ATOM 1125 N GLY A 72 -25.116 10.961 6.302 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.943 9.880 5.350 1.00 0.00 C ATOM 1127 C GLY A 72 -24.224 10.312 4.090 1.00 0.00 C ATOM 1128 O GLY A 72 -24.439 9.725 3.025 1.00 0.00 O ATOM 0 H GLY A 72 -24.270 11.230 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -24.383 9.073 5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.920 9.477 5.084 1.00 0.00 H new ATOM 1132 N MET A 73 -23.352 11.323 4.195 1.00 0.00 N ATOM 1133 CA MET A 73 -22.621 11.812 3.024 1.00 0.00 C ATOM 1134 C MET A 73 -21.162 11.333 3.033 1.00 0.00 C ATOM 1135 O MET A 73 -20.285 11.972 3.595 1.00 0.00 O ATOM 1136 CB MET A 73 -22.571 13.332 2.991 1.00 0.00 C ATOM 1137 CG MET A 73 -23.888 14.050 2.790 1.00 0.00 C ATOM 1138 SD MET A 73 -23.661 15.850 2.752 1.00 0.00 S ATOM 1139 CE MET A 73 -25.341 16.429 2.833 1.00 0.00 C ATOM 0 H MET A 73 -23.139 11.810 5.065 1.00 0.00 H new ATOM 0 HA MET A 73 -23.156 11.422 2.158 1.00 0.00 H new ATOM 0 HB2 MET A 73 -22.134 13.679 3.927 1.00 0.00 H new ATOM 0 HB3 MET A 73 -21.894 13.633 2.192 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.346 13.720 1.858 1.00 0.00 H new ATOM 0 HG3 MET A 73 -24.575 13.785 3.594 1.00 0.00 H new ATOM 0 HE1 MET A 73 -25.372 17.491 2.588 1.00 0.00 H new ATOM 0 HE2 MET A 73 -25.952 15.874 2.121 1.00 0.00 H new ATOM 0 HE3 MET A 73 -25.730 16.278 3.840 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.943 10.166 2.446 1.00 0.00 N ATOM 1150 CA VAL A 74 -19.597 9.670 2.164 1.00 0.00 C ATOM 1151 C VAL A 74 -19.415 9.432 0.682 1.00 0.00 C ATOM 1152 O VAL A 74 -20.243 8.789 0.025 1.00 0.00 O ATOM 1153 CB VAL A 74 -19.248 8.369 2.940 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -17.964 7.724 2.407 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -19.061 8.704 4.382 1.00 0.00 C ATOM 0 H VAL A 74 -21.688 9.535 2.151 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.914 10.447 2.506 1.00 0.00 H new ATOM 0 HB VAL A 74 -20.065 7.660 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -17.751 6.817 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -18.093 7.473 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.134 8.422 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -18.816 7.799 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -18.250 9.424 4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -19.981 9.134 4.778 1.00 0.00 H new ATOM 1165 N HIS A 75 -18.319 9.938 0.181 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.903 9.714 -1.188 1.00 0.00 C ATOM 1167 C HIS A 75 -16.622 8.939 -1.153 1.00 0.00 C ATOM 1168 O HIS A 75 -15.749 9.235 -0.333 1.00 0.00 O ATOM 1169 CB HIS A 75 -17.667 11.064 -1.882 1.00 0.00 C ATOM 1170 CG HIS A 75 -18.905 11.711 -2.428 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -19.289 11.637 -3.759 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -19.864 12.431 -1.803 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -20.435 12.278 -3.928 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -20.806 12.772 -2.757 1.00 0.00 N ATOM 0 H HIS A 75 -17.679 10.525 0.715 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.669 9.166 -1.737 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -17.200 11.746 -1.172 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.959 10.919 -2.698 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -19.890 12.691 -0.755 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -20.973 12.380 -4.859 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -21.651 13.317 -2.586 1.00 0.00 H new ATOM 1182 N VAL A 76 -16.466 7.997 -2.048 1.00 0.00 N ATOM 1183 CA VAL A 76 -15.275 7.205 -2.001 1.00 0.00 C ATOM 1184 C VAL A 76 -14.477 7.335 -3.318 1.00 0.00 C ATOM 1185 O VAL A 76 -14.968 7.021 -4.397 1.00 0.00 O ATOM 1186 CB VAL A 76 -15.687 5.728 -1.792 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -16.745 5.297 -2.809 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -14.501 4.826 -1.812 1.00 0.00 C ATOM 0 H VAL A 76 -17.126 7.768 -2.792 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.641 7.550 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.137 5.646 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.013 4.255 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.631 5.923 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.346 5.406 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.825 3.796 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.995 4.911 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.814 5.110 -1.014 1.00 0.00 H new ATOM 1198 N ILE A 77 -13.267 7.879 -3.191 1.00 0.00 N ATOM 1199 CA ILE A 77 -12.406 8.093 -4.330 1.00 0.00 C ATOM 1200 C ILE A 77 -11.930 6.834 -5.066 1.00 0.00 C ATOM 1201 O ILE A 77 -11.988 6.750 -6.286 1.00 0.00 O ATOM 1202 CB ILE A 77 -11.152 8.846 -3.873 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -11.505 10.171 -3.184 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -10.256 9.116 -5.057 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -10.299 10.794 -2.518 1.00 0.00 C ATOM 0 H ILE A 77 -12.869 8.178 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.024 8.648 -5.036 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.633 8.217 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.914 10.865 -3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -12.283 9.998 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.366 9.652 -4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.962 8.171 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.792 9.721 -5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.590 11.730 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.905 10.111 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.531 10.991 -3.266 1.00 0.00 H new ATOM 1217 N LYS A 78 -11.504 5.824 -4.300 1.00 0.00 N ATOM 1218 CA LYS A 78 -10.883 4.647 -4.929 1.00 0.00 C ATOM 1219 C LYS A 78 -11.660 3.330 -4.744 1.00 0.00 C ATOM 1220 O LYS A 78 -11.129 2.263 -5.017 1.00 0.00 O ATOM 1221 CB LYS A 78 -9.428 4.464 -4.530 1.00 0.00 C ATOM 1222 CG LYS A 78 -8.515 5.629 -4.902 1.00 0.00 C ATOM 1223 CD LYS A 78 -8.526 5.880 -6.401 1.00 0.00 C ATOM 1224 CE LYS A 78 -7.533 6.975 -6.814 1.00 0.00 C ATOM 1225 NZ LYS A 78 -7.627 8.226 -6.021 1.00 0.00 N ATOM 0 H LYS A 78 -11.572 5.792 -3.283 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.924 4.878 -5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.377 4.310 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.048 3.557 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.837 6.529 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.498 5.416 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.282 4.955 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.530 6.167 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.521 6.581 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.693 7.214 -7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.683 8.653 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.266 8.893 -6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.998 8.010 -5.074 1.00 0.00 H new ATOM 1239 N GLY A 79 -12.906 3.387 -4.290 1.00 0.00 N ATOM 1240 CA GLY A 79 -13.705 2.153 -4.140 1.00 0.00 C ATOM 1241 C GLY A 79 -13.520 1.359 -2.799 1.00 0.00 C ATOM 1242 O GLY A 79 -13.845 0.179 -2.750 1.00 0.00 O ATOM 0 H GLY A 79 -13.386 4.246 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.759 2.414 -4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.462 1.486 -4.968 1.00 0.00 H new ATOM 1246 N ILE A 80 -13.019 2.037 -1.732 1.00 0.00 N ATOM 1247 CA ILE A 80 -12.828 1.414 -0.393 1.00 0.00 C ATOM 1248 C ILE A 80 -11.747 0.310 -0.476 1.00 0.00 C ATOM 1249 O ILE A 80 -12.037 -0.877 -0.519 1.00 0.00 O ATOM 1250 CB ILE A 80 -14.144 0.801 0.162 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -15.280 1.842 0.232 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -13.919 0.236 1.570 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -15.006 3.012 1.150 1.00 0.00 C ATOM 0 H ILE A 80 -12.739 3.017 -1.773 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.512 2.203 0.289 1.00 0.00 H new ATOM 0 HB ILE A 80 -14.435 0.007 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -15.470 2.222 -0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -16.192 1.344 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -14.850 -0.190 1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.154 -0.540 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.592 1.036 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -15.858 3.692 1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.848 2.649 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -14.115 3.540 0.811 1.00 0.00 H new ATOM 1265 N GLN A 81 -10.519 0.756 -0.538 1.00 0.00 N ATOM 1266 CA GLN A 81 -9.378 -0.121 -0.695 1.00 0.00 C ATOM 1267 C GLN A 81 -8.140 0.488 -0.004 1.00 0.00 C ATOM 1268 O GLN A 81 -8.176 1.643 0.385 1.00 0.00 O ATOM 1269 CB GLN A 81 -9.186 -0.401 -2.199 1.00 0.00 C ATOM 1270 CG GLN A 81 -7.996 -1.225 -2.588 1.00 0.00 C ATOM 1271 CD GLN A 81 -6.804 -0.374 -2.837 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -5.669 -0.933 -2.602 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -6.912 0.796 -3.209 1.00 0.00 N flip ATOM 0 H GLN A 81 -10.276 1.745 -0.481 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.540 -1.080 -0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.081 -0.902 -2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.120 0.556 -2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.774 -1.942 -1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.228 -1.800 -3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.836 1.193 -3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.078 1.367 -3.344 1.00 0.00 H new ATOM 1282 N PHE A 82 -7.083 -0.285 0.189 1.00 0.00 N ATOM 1283 CA PHE A 82 -5.876 0.254 0.798 1.00 0.00 C ATOM 1284 C PHE A 82 -5.254 1.362 -0.071 1.00 0.00 C ATOM 1285 O PHE A 82 -4.954 1.175 -1.230 1.00 0.00 O ATOM 1286 CB PHE A 82 -4.884 -0.874 1.004 1.00 0.00 C ATOM 1287 CG PHE A 82 -3.526 -0.366 1.382 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -3.347 0.465 2.482 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -2.427 -0.693 0.607 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -2.089 0.966 2.785 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -1.181 -0.208 0.910 1.00 0.00 C ATOM 1292 CZ PHE A 82 -1.005 0.624 1.980 1.00 0.00 C ATOM 0 H PHE A 82 -7.035 -1.272 -0.062 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.135 0.701 1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.251 -1.542 1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.809 -1.462 0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.192 0.722 3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.553 -1.340 -0.249 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.952 1.615 3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.334 -0.485 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.024 1.017 2.202 1.00 0.00 H new ATOM 1302 N GLY A 83 -5.015 2.507 0.551 1.00 0.00 N ATOM 1303 CA GLY A 83 -4.525 3.669 -0.150 1.00 0.00 C ATOM 1304 C GLY A 83 -5.670 4.571 -0.589 1.00 0.00 C ATOM 1305 O GLY A 83 -5.458 5.645 -1.137 1.00 0.00 O ATOM 0 H GLY A 83 -5.157 2.650 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.846 4.227 0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.951 3.356 -1.022 1.00 0.00 H new ATOM 1309 N SER A 84 -6.888 4.104 -0.362 1.00 0.00 N ATOM 1310 CA SER A 84 -8.091 4.866 -0.680 1.00 0.00 C ATOM 1311 C SER A 84 -8.324 5.979 0.316 1.00 0.00 C ATOM 1312 O SER A 84 -7.955 5.864 1.485 1.00 0.00 O ATOM 1313 CB SER A 84 -9.326 3.957 -0.721 1.00 0.00 C ATOM 1314 OG SER A 84 -9.357 3.175 -1.915 1.00 0.00 O ATOM 0 H SER A 84 -7.073 3.188 0.047 1.00 0.00 H new ATOM 0 HA SER A 84 -7.935 5.305 -1.665 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.324 3.298 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.229 4.564 -0.658 1.00 0.00 H new ATOM 0 HG SER A 84 -10.287 2.990 -2.161 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.937 7.032 -0.153 1.00 0.00 N ATOM 1321 CA GLN A 85 -9.366 8.102 0.704 1.00 0.00 C ATOM 1322 C GLN A 85 -10.827 8.383 0.396 1.00 0.00 C ATOM 1323 O GLN A 85 -11.268 8.285 -0.759 1.00 0.00 O ATOM 1324 CB GLN A 85 -8.505 9.360 0.519 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.889 10.524 1.440 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.954 11.693 1.303 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -6.847 11.547 0.818 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -8.369 12.856 1.761 1.00 0.00 N ATOM 0 H GLN A 85 -9.153 7.172 -1.140 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.250 7.808 1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.461 9.101 0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.582 9.690 -0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.905 10.846 1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.889 10.181 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.303 12.943 2.161 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.756 13.670 1.716 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.557 8.678 1.399 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.977 8.910 1.303 1.00 0.00 C ATOM 1339 C ILE A 86 -13.349 10.209 1.939 1.00 0.00 C ATOM 1340 O ILE A 86 -12.577 10.738 2.714 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.733 7.753 1.939 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -13.334 7.665 3.408 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -13.455 6.454 1.212 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -14.093 6.647 4.199 1.00 0.00 C ATOM 0 H ILE A 86 -11.191 8.772 2.346 1.00 0.00 H new ATOM 0 HA ILE A 86 -13.253 8.970 0.250 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.806 7.930 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.270 7.434 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -13.475 8.643 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.008 5.645 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.768 6.545 0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.388 6.236 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.744 6.654 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -15.156 6.886 4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.933 5.658 3.768 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.507 10.763 1.611 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.872 12.072 2.162 1.00 0.00 C ATOM 1358 C LYS A 87 -16.007 11.963 3.083 1.00 0.00 C ATOM 1359 O LYS A 87 -16.967 11.238 2.840 1.00 0.00 O ATOM 1360 CB LYS A 87 -15.319 13.055 1.095 1.00 0.00 C ATOM 1361 CG LYS A 87 -14.191 13.750 0.349 1.00 0.00 C ATOM 1362 CD LYS A 87 -13.384 12.742 -0.445 1.00 0.00 C ATOM 1363 CE LYS A 87 -12.360 13.388 -1.352 1.00 0.00 C ATOM 1364 NZ LYS A 87 -11.196 13.981 -0.608 1.00 0.00 N ATOM 0 H LYS A 87 -15.196 10.346 0.985 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.968 12.424 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.941 12.526 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.948 13.814 1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.601 14.506 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.543 14.268 1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.876 12.067 0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.061 12.134 -1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.990 12.645 -2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.845 14.170 -1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.532 14.407 -1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.539 14.712 0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.711 13.234 -0.070 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.923 12.717 4.105 1.00 0.00 N ATOM 1379 CA TYR A 88 -16.974 12.888 4.983 1.00 0.00 C ATOM 1380 C TYR A 88 -17.502 14.278 4.936 1.00 0.00 C ATOM 1381 O TYR A 88 -16.758 15.262 5.030 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.560 12.491 6.401 1.00 0.00 C ATOM 1383 CG TYR A 88 -16.409 11.001 6.569 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -17.524 10.229 6.915 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -15.207 10.375 6.382 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -17.414 8.880 7.082 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -15.093 9.006 6.549 1.00 0.00 C ATOM 1388 CZ TYR A 88 -16.202 8.268 6.904 1.00 0.00 C ATOM 1389 OH TYR A 88 -16.100 6.930 7.078 1.00 0.00 O ATOM 0 H TYR A 88 -15.085 13.245 4.350 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.785 12.229 4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.617 12.978 6.649 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -17.304 12.858 7.108 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -18.483 10.707 7.051 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.340 10.954 6.102 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -18.281 8.296 7.354 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -14.141 8.518 6.402 1.00 0.00 H new ATOM 0 HH TYR A 88 -16.078 6.487 6.204 1.00 0.00 H new ATOM 1399 N SER A 89 -18.761 14.355 4.754 1.00 0.00 N ATOM 1400 CA SER A 89 -19.462 15.598 4.851 1.00 0.00 C ATOM 1401 C SER A 89 -20.808 15.363 5.541 1.00 0.00 C ATOM 1402 O SER A 89 -21.354 14.258 5.522 1.00 0.00 O ATOM 1403 CB SER A 89 -19.633 16.219 3.450 1.00 0.00 C ATOM 1404 OG SER A 89 -20.211 15.285 2.531 1.00 0.00 O ATOM 0 H SER A 89 -19.353 13.555 4.530 1.00 0.00 H new ATOM 0 HA SER A 89 -18.891 16.306 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 89 -20.266 17.104 3.518 1.00 0.00 H new ATOM 0 HB3 SER A 89 -18.664 16.548 3.075 1.00 0.00 H new ATOM 0 HG SER A 89 -20.308 15.708 1.652 1.00 0.00 H new ATOM 1410 N CYS A 90 -21.308 16.377 6.187 1.00 0.00 N ATOM 1411 CA CYS A 90 -22.586 16.249 6.880 1.00 0.00 C ATOM 1412 C CYS A 90 -23.662 17.156 6.275 1.00 0.00 C ATOM 1413 O CYS A 90 -24.815 16.753 6.124 1.00 0.00 O ATOM 1414 CB CYS A 90 -22.374 16.683 8.356 1.00 0.00 C ATOM 1415 SG CYS A 90 -21.036 15.817 9.248 1.00 0.00 S ATOM 0 H CYS A 90 -20.868 17.295 6.256 1.00 0.00 H new ATOM 0 HA CYS A 90 -22.920 15.215 6.793 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -22.166 17.753 8.375 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -23.307 16.530 8.899 1.00 0.00 H new ATOM 1420 N THR A 91 -23.293 18.384 6.013 1.00 0.00 N ATOM 1421 CA THR A 91 -24.252 19.410 5.621 1.00 0.00 C ATOM 1422 C THR A 91 -23.543 20.571 4.870 1.00 0.00 C ATOM 1423 O THR A 91 -22.343 20.616 4.823 1.00 0.00 O ATOM 1424 CB THR A 91 -24.925 19.911 6.906 1.00 0.00 C ATOM 1425 OG1 THR A 91 -25.788 18.904 7.444 1.00 0.00 O ATOM 1426 CG2 THR A 91 -25.670 21.183 6.735 1.00 0.00 C ATOM 0 H THR A 91 -22.327 18.709 6.062 1.00 0.00 H new ATOM 0 HA THR A 91 -24.995 19.003 4.936 1.00 0.00 H new ATOM 0 HB THR A 91 -24.116 20.121 7.606 1.00 0.00 H new ATOM 0 HG1 THR A 91 -25.659 18.066 6.952 1.00 0.00 H new ATOM 0 HG21 THR A 91 -26.118 21.473 7.686 1.00 0.00 H new ATOM 0 HG22 THR A 91 -24.986 21.964 6.403 1.00 0.00 H new ATOM 0 HG23 THR A 91 -26.455 21.048 5.991 1.00 0.00 H new ATOM 1434 N LYS A 92 -24.294 21.447 4.220 1.00 0.00 N ATOM 1435 CA LYS A 92 -23.700 22.671 3.715 1.00 0.00 C ATOM 1436 C LYS A 92 -23.201 23.600 4.872 1.00 0.00 C ATOM 1437 O LYS A 92 -22.079 24.082 4.872 1.00 0.00 O ATOM 1438 CB LYS A 92 -24.718 23.449 2.904 1.00 0.00 C ATOM 1439 CG LYS A 92 -25.869 23.969 3.757 1.00 0.00 C ATOM 1440 CD LYS A 92 -26.801 24.853 2.993 1.00 0.00 C ATOM 1441 CE LYS A 92 -27.575 24.117 1.908 1.00 0.00 C ATOM 1442 NZ LYS A 92 -28.544 25.022 1.222 1.00 0.00 N ATOM 0 H LYS A 92 -25.291 21.337 4.034 1.00 0.00 H new ATOM 0 HA LYS A 92 -22.850 22.378 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -24.224 24.289 2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -25.114 22.810 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -26.426 23.124 4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -25.466 24.521 4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -27.507 25.311 3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -26.231 25.663 2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -26.879 23.706 1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -28.110 23.275 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -29.056 24.491 0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -29.223 25.394 1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -28.030 25.812 0.782 1.00 0.00 H new ATOM 1456 N GLY A 93 -24.077 23.796 5.872 1.00 0.00 N ATOM 1457 CA GLY A 93 -23.848 24.762 6.953 1.00 0.00 C ATOM 1458 C GLY A 93 -23.538 24.102 8.259 1.00 0.00 C ATOM 1459 O GLY A 93 -24.247 24.264 9.253 1.00 0.00 O ATOM 0 H GLY A 93 -24.959 23.290 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -23.024 25.420 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -24.732 25.389 7.068 1.00 0.00 H new ATOM 1463 N TYR A 94 -22.485 23.383 8.263 1.00 0.00 N ATOM 1464 CA TYR A 94 -22.052 22.628 9.447 1.00 0.00 C ATOM 1465 C TYR A 94 -20.528 22.600 9.399 1.00 0.00 C ATOM 1466 O TYR A 94 -19.945 22.973 8.379 1.00 0.00 O ATOM 1467 CB TYR A 94 -22.520 21.180 9.385 1.00 0.00 C ATOM 1468 CG TYR A 94 -21.545 20.293 8.651 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -21.315 20.417 7.307 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -20.790 19.397 9.363 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -20.364 19.643 6.677 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -19.831 18.626 8.749 1.00 0.00 C ATOM 1473 CZ TYR A 94 -19.623 18.753 7.395 1.00 0.00 C ATOM 1474 OH TYR A 94 -18.676 17.999 6.765 1.00 0.00 O ATOM 0 H TYR A 94 -21.871 23.278 7.456 1.00 0.00 H new ATOM 0 HA TYR A 94 -22.458 23.094 10.345 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -22.660 20.802 10.398 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -23.491 21.135 8.891 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -21.886 21.131 6.733 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -20.951 19.295 10.426 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -20.206 19.742 5.613 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.245 17.926 9.326 1.00 0.00 H new ATOM 0 HH TYR A 94 -17.866 18.534 6.634 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.888 22.189 10.458 1.00 0.00 N ATOM 1485 CA ARG A 95 -18.441 22.063 10.424 1.00 0.00 C ATOM 1486 C ARG A 95 -18.121 20.647 10.771 1.00 0.00 C ATOM 1487 O ARG A 95 -18.823 20.032 11.556 1.00 0.00 O ATOM 1488 CB ARG A 95 -17.782 22.940 11.482 1.00 0.00 C ATOM 1489 CG ARG A 95 -17.986 24.401 11.261 1.00 0.00 C ATOM 1490 CD ARG A 95 -17.281 25.246 12.326 1.00 0.00 C ATOM 1491 NE ARG A 95 -17.498 26.684 12.114 1.00 0.00 N ATOM 1492 CZ ARG A 95 -16.786 27.655 12.701 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -15.812 27.352 13.553 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -17.053 28.914 12.435 1.00 0.00 N ATOM 0 H ARG A 95 -20.327 21.938 11.344 1.00 0.00 H new ATOM 0 HA ARG A 95 -18.079 22.360 9.440 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -18.177 22.671 12.462 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -16.713 22.730 11.501 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -17.611 24.674 10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -19.053 24.623 11.269 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -17.647 24.965 13.314 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -16.212 25.033 12.310 1.00 0.00 H new ATOM 0 HE ARG A 95 -18.243 26.962 11.475 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -15.603 26.376 13.763 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.273 28.096 13.997 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -17.801 29.150 11.783 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -16.512 29.655 12.881 1.00 0.00 H new ATOM 1508 N LEU A 96 -17.120 20.071 10.173 1.00 0.00 N ATOM 1509 CA LEU A 96 -16.780 18.753 10.646 1.00 0.00 C ATOM 1510 C LEU A 96 -15.546 18.898 11.495 1.00 0.00 C ATOM 1511 O LEU A 96 -14.499 19.304 11.031 1.00 0.00 O ATOM 1512 CB LEU A 96 -16.545 17.809 9.477 1.00 0.00 C ATOM 1513 CG LEU A 96 -16.498 16.349 9.848 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -16.988 15.524 8.708 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -15.102 15.948 10.264 1.00 0.00 C ATOM 0 H LEU A 96 -16.558 20.453 9.412 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.593 18.324 11.232 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.336 17.958 8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -15.606 18.078 8.993 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.153 16.175 10.702 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.952 14.469 8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.015 15.803 8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -16.356 15.695 7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.091 14.890 10.528 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.412 16.124 9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.795 16.540 11.126 1.00 0.00 H new ATOM 1527 N ILE A 97 -15.706 18.568 12.764 1.00 0.00 N ATOM 1528 CA ILE A 97 -14.661 18.776 13.762 1.00 0.00 C ATOM 1529 C ILE A 97 -13.409 17.904 13.529 1.00 0.00 C ATOM 1530 O ILE A 97 -12.299 18.369 13.626 1.00 0.00 O ATOM 1531 CB ILE A 97 -15.206 18.581 15.205 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -16.429 19.475 15.422 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -14.130 18.904 16.238 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -16.144 20.951 15.256 1.00 0.00 C ATOM 0 H ILE A 97 -16.559 18.150 13.135 1.00 0.00 H new ATOM 0 HA ILE A 97 -14.344 19.812 13.646 1.00 0.00 H new ATOM 0 HB ILE A 97 -15.496 17.538 15.329 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -17.209 19.184 14.719 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -16.821 19.301 16.424 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -14.533 18.761 17.240 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.276 18.243 16.093 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -13.811 19.940 16.120 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -17.059 21.519 15.425 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -15.387 21.259 15.977 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -15.781 21.140 14.246 1.00 0.00 H new ATOM 1546 N GLY A 98 -13.632 16.632 13.224 1.00 0.00 N ATOM 1547 CA GLY A 98 -12.524 15.739 13.026 1.00 0.00 C ATOM 1548 C GLY A 98 -12.121 15.544 11.578 1.00 0.00 C ATOM 1549 O GLY A 98 -11.888 16.508 10.858 1.00 0.00 O ATOM 0 H GLY A 98 -14.555 16.212 13.112 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.665 16.118 13.580 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.776 14.768 13.453 1.00 0.00 H new ATOM 1553 N SER A 99 -12.034 14.290 11.170 1.00 0.00 N ATOM 1554 CA SER A 99 -11.607 13.937 9.847 1.00 0.00 C ATOM 1555 C SER A 99 -12.739 14.097 8.813 1.00 0.00 C ATOM 1556 O SER A 99 -13.757 13.408 8.876 1.00 0.00 O ATOM 1557 CB SER A 99 -11.146 12.473 9.886 1.00 0.00 C ATOM 1558 OG SER A 99 -12.134 11.673 10.531 1.00 0.00 O ATOM 0 H SER A 99 -12.262 13.489 11.760 1.00 0.00 H new ATOM 0 HA SER A 99 -10.800 14.603 9.541 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.975 12.109 8.873 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.198 12.395 10.418 1.00 0.00 H new ATOM 0 HG SER A 99 -13.017 11.880 10.159 1.00 0.00 H new ATOM 1564 N SER A 100 -12.513 14.972 7.853 1.00 0.00 N ATOM 1565 CA SER A 100 -13.416 15.217 6.734 1.00 0.00 C ATOM 1566 C SER A 100 -13.178 14.183 5.666 1.00 0.00 C ATOM 1567 O SER A 100 -13.842 14.148 4.646 1.00 0.00 O ATOM 1568 CB SER A 100 -13.167 16.620 6.207 1.00 0.00 C ATOM 1569 OG SER A 100 -11.844 16.735 5.685 1.00 0.00 O ATOM 0 H SER A 100 -11.674 15.551 7.825 1.00 0.00 H new ATOM 0 HA SER A 100 -14.455 15.141 7.053 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.892 16.855 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 100 -13.312 17.346 7.007 1.00 0.00 H new ATOM 0 HG SER A 100 -11.703 17.645 5.349 1.00 0.00 H new ATOM 1575 N SER A 101 -12.148 13.390 5.877 1.00 0.00 N ATOM 1576 CA SER A 101 -11.813 12.316 5.010 1.00 0.00 C ATOM 1577 C SER A 101 -11.061 11.279 5.808 1.00 0.00 C ATOM 1578 O SER A 101 -10.522 11.583 6.865 1.00 0.00 O ATOM 1579 CB SER A 101 -10.977 12.822 3.828 1.00 0.00 C ATOM 1580 OG SER A 101 -9.853 13.585 4.253 1.00 0.00 O ATOM 0 H SER A 101 -11.519 13.488 6.674 1.00 0.00 H new ATOM 0 HA SER A 101 -12.717 11.869 4.597 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.635 11.973 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.603 13.432 3.177 1.00 0.00 H new ATOM 0 HG SER A 101 -9.733 14.352 3.654 1.00 0.00 H new ATOM 1586 N ALA A 102 -11.010 10.085 5.309 1.00 0.00 N ATOM 1587 CA ALA A 102 -10.315 9.006 5.971 1.00 0.00 C ATOM 1588 C ALA A 102 -9.396 8.318 4.967 1.00 0.00 C ATOM 1589 O ALA A 102 -9.732 8.186 3.781 1.00 0.00 O ATOM 1590 CB ALA A 102 -11.314 8.021 6.557 1.00 0.00 C ATOM 0 H ALA A 102 -11.449 9.821 4.427 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.714 9.400 6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.779 7.212 7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.949 8.533 7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.932 7.611 5.758 1.00 0.00 H new ATOM 1596 N THR A 103 -8.248 7.863 5.430 1.00 0.00 N ATOM 1597 CA THR A 103 -7.262 7.239 4.552 1.00 0.00 C ATOM 1598 C THR A 103 -6.939 5.815 5.041 1.00 0.00 C ATOM 1599 O THR A 103 -6.675 5.614 6.228 1.00 0.00 O ATOM 1600 CB THR A 103 -5.961 8.053 4.548 1.00 0.00 C ATOM 1601 OG1 THR A 103 -6.247 9.395 4.127 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.975 7.450 3.580 1.00 0.00 C ATOM 0 H THR A 103 -7.969 7.911 6.410 1.00 0.00 H new ATOM 0 HA THR A 103 -7.682 7.203 3.547 1.00 0.00 H new ATOM 0 HB THR A 103 -5.538 8.048 5.552 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.420 9.920 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.056 8.035 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.754 6.425 3.877 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.401 7.453 2.577 1.00 0.00 H new ATOM 1610 N CYS A 104 -6.974 4.834 4.136 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.689 3.447 4.522 1.00 0.00 C ATOM 1612 C CYS A 104 -5.201 3.155 4.660 1.00 0.00 C ATOM 1613 O CYS A 104 -4.402 3.403 3.751 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.342 2.479 3.521 1.00 0.00 C ATOM 1615 SG CYS A 104 -9.028 2.011 3.979 1.00 0.00 S ATOM 0 H CYS A 104 -7.192 4.968 3.149 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.120 3.298 5.512 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -7.356 2.942 2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.731 1.580 3.443 1.00 0.00 H new ATOM 1620 N ILE A 105 -4.868 2.588 5.816 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.516 2.212 6.152 1.00 0.00 C ATOM 1622 C ILE A 105 -3.446 0.744 6.606 1.00 0.00 C ATOM 1623 O ILE A 105 -4.441 0.144 7.017 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.855 3.142 7.239 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.663 3.129 8.557 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.666 4.562 6.707 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.868 4.057 8.550 1.00 0.00 C ATOM 0 H ILE A 105 -5.545 2.378 6.549 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.940 2.338 5.235 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.866 2.742 7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.001 2.112 8.754 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.004 3.411 9.378 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.208 5.182 7.478 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.020 4.539 5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.635 4.980 6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.383 3.992 9.508 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.537 5.082 8.385 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.549 3.763 7.751 1.00 0.00 H new ATOM 1639 N ILE A 106 -2.252 0.192 6.533 1.00 0.00 N ATOM 1640 CA ILE A 106 -1.987 -1.206 6.883 1.00 0.00 C ATOM 1641 C ILE A 106 -1.701 -1.403 8.393 1.00 0.00 C ATOM 1642 O ILE A 106 -0.864 -0.703 8.961 1.00 0.00 O ATOM 1643 CB ILE A 106 -0.710 -1.706 6.149 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -0.842 -1.606 4.628 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -0.414 -3.134 6.544 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -1.956 -2.414 4.070 1.00 0.00 C ATOM 0 H ILE A 106 -1.422 0.700 6.226 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.884 -1.756 6.596 1.00 0.00 H new ATOM 0 HB ILE A 106 0.114 -1.059 6.451 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.990 -0.562 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.093 -1.927 4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.482 -3.477 6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.253 -3.188 7.621 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.257 -3.769 6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.987 -2.293 2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.800 -3.465 4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.900 -2.078 4.500 1.00 0.00 H new ATOM 1658 N SER A 107 -2.403 -2.343 9.027 1.00 0.00 N ATOM 1659 CA SER A 107 -2.089 -2.703 10.425 1.00 0.00 C ATOM 1660 C SER A 107 -1.351 -4.024 10.487 1.00 0.00 C ATOM 1661 O SER A 107 -0.890 -4.431 11.533 1.00 0.00 O ATOM 1662 CB SER A 107 -3.360 -2.786 11.255 1.00 0.00 C ATOM 1663 OG SER A 107 -4.235 -3.760 10.735 1.00 0.00 O ATOM 0 H SER A 107 -3.177 -2.863 8.613 1.00 0.00 H new ATOM 0 HA SER A 107 -1.448 -1.923 10.835 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.110 -3.030 12.288 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.855 -1.815 11.267 1.00 0.00 H new ATOM 0 HG SER A 107 -4.317 -3.642 9.766 1.00 0.00 H new ATOM 1669 N GLY A 108 -1.232 -4.667 9.341 1.00 0.00 N ATOM 1670 CA GLY A 108 -0.589 -5.946 9.285 1.00 0.00 C ATOM 1671 C GLY A 108 -1.381 -6.919 8.472 1.00 0.00 C ATOM 1672 O GLY A 108 -1.262 -6.971 7.272 1.00 0.00 O ATOM 0 H GLY A 108 -1.574 -4.319 8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.407 -5.836 8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.459 -6.334 10.295 1.00 0.00 H new ATOM 1676 N ASP A 109 -2.210 -7.681 9.135 1.00 0.00 N ATOM 1677 CA ASP A 109 -3.011 -8.686 8.435 1.00 0.00 C ATOM 1678 C ASP A 109 -4.318 -8.099 7.964 1.00 0.00 C ATOM 1679 O ASP A 109 -5.115 -8.786 7.330 1.00 0.00 O ATOM 1680 CB ASP A 109 -3.274 -9.922 9.297 1.00 0.00 C ATOM 1681 CG ASP A 109 -2.025 -10.695 9.667 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -1.265 -11.099 8.752 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -1.804 -10.917 10.878 1.00 0.00 O ATOM 0 H ASP A 109 -2.357 -7.638 10.143 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.429 -9.004 7.570 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.781 -9.613 10.211 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.954 -10.586 8.764 1.00 0.00 H new ATOM 1688 N THR A 110 -4.551 -6.833 8.280 1.00 0.00 N ATOM 1689 CA THR A 110 -5.770 -6.198 7.914 1.00 0.00 C ATOM 1690 C THR A 110 -5.554 -4.690 7.641 1.00 0.00 C ATOM 1691 O THR A 110 -4.530 -4.114 8.039 1.00 0.00 O ATOM 1692 CB THR A 110 -6.878 -6.426 8.979 1.00 0.00 C ATOM 1693 OG1 THR A 110 -8.177 -6.279 8.387 1.00 0.00 O ATOM 1694 CG2 THR A 110 -6.733 -5.452 10.155 1.00 0.00 C ATOM 0 H THR A 110 -3.898 -6.239 8.791 1.00 0.00 H new ATOM 0 HA THR A 110 -6.113 -6.659 6.988 1.00 0.00 H new ATOM 0 HB THR A 110 -6.766 -7.441 9.359 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.861 -6.581 9.020 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.524 -5.639 10.882 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.762 -5.597 10.630 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.810 -4.428 9.791 1.00 0.00 H new ATOM 1702 N VAL A 111 -6.508 -4.064 6.955 1.00 0.00 N ATOM 1703 CA VAL A 111 -6.406 -2.647 6.576 1.00 0.00 C ATOM 1704 C VAL A 111 -7.523 -1.813 7.203 1.00 0.00 C ATOM 1705 O VAL A 111 -8.696 -2.212 7.191 1.00 0.00 O ATOM 1706 CB VAL A 111 -6.449 -2.482 5.040 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -5.236 -3.128 4.396 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -7.713 -3.092 4.477 1.00 0.00 C ATOM 0 H VAL A 111 -7.369 -4.516 6.646 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.449 -2.287 6.953 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.439 -1.415 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.287 -3.000 3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.329 -2.657 4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.220 -4.191 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.727 -2.967 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -7.744 -4.154 4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.581 -2.595 4.911 1.00 0.00 H new ATOM 1718 N ILE A 112 -7.155 -0.690 7.797 1.00 0.00 N ATOM 1719 CA ILE A 112 -8.111 0.182 8.518 1.00 0.00 C ATOM 1720 C ILE A 112 -8.027 1.655 8.051 1.00 0.00 C ATOM 1721 O ILE A 112 -7.086 2.053 7.373 1.00 0.00 O ATOM 1722 CB ILE A 112 -7.947 0.132 10.074 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -6.605 0.719 10.524 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -8.122 -1.292 10.597 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -5.403 -0.169 10.301 1.00 0.00 C ATOM 0 H ILE A 112 -6.195 -0.345 7.802 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.092 -0.222 8.267 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.734 0.752 10.503 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.444 1.659 9.997 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.669 0.956 11.586 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.003 -1.299 11.680 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.117 -1.655 10.339 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.371 -1.940 10.146 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.505 0.339 10.653 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.532 -1.101 10.851 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.304 -0.386 9.238 1.00 0.00 H new ATOM 1737 N TRP A 113 -9.043 2.435 8.395 1.00 0.00 N ATOM 1738 CA TRP A 113 -9.121 3.862 8.070 1.00 0.00 C ATOM 1739 C TRP A 113 -8.557 4.692 9.238 1.00 0.00 C ATOM 1740 O TRP A 113 -8.625 4.257 10.404 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.585 4.258 7.893 1.00 0.00 C ATOM 1742 CG TRP A 113 -11.247 3.637 6.718 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -12.092 2.571 6.736 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -11.134 4.047 5.351 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -12.514 2.297 5.487 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.939 3.184 4.604 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.442 5.042 4.709 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -12.064 3.295 3.215 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.554 5.159 3.335 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -11.361 4.295 2.604 1.00 0.00 C ATOM 0 H TRP A 113 -9.851 2.094 8.916 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.552 4.047 7.159 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -11.135 3.983 8.793 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.648 5.342 7.800 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.382 2.025 7.622 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.159 1.549 5.234 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.819 5.724 5.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.689 2.619 2.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -10.005 5.935 2.822 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -11.434 4.416 1.533 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.969 5.854 8.937 1.00 0.00 N ATOM 1762 CA ASP A 114 -7.356 6.695 9.979 1.00 0.00 C ATOM 1763 C ASP A 114 -8.387 7.617 10.651 1.00 0.00 C ATOM 1764 O ASP A 114 -8.067 8.360 11.573 1.00 0.00 O ATOM 1765 CB ASP A 114 -6.194 7.559 9.437 1.00 0.00 C ATOM 1766 CG ASP A 114 -6.633 8.692 8.501 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -7.743 8.595 7.919 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -5.880 9.695 8.371 1.00 0.00 O ATOM 0 H ASP A 114 -7.903 6.234 7.993 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.958 5.998 10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -5.653 7.989 10.280 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.495 6.914 8.905 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.645 7.539 10.201 1.00 0.00 N ATOM 1774 CA GLN A 115 -10.721 8.292 10.837 1.00 0.00 C ATOM 1775 C GLN A 115 -11.017 7.872 12.267 1.00 0.00 C ATOM 1776 O GLN A 115 -11.208 6.693 12.569 1.00 0.00 O ATOM 1777 CB GLN A 115 -11.994 8.297 10.012 1.00 0.00 C ATOM 1778 CG GLN A 115 -13.146 8.905 10.761 1.00 0.00 C ATOM 1779 CD GLN A 115 -14.380 9.030 9.949 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -14.517 9.959 9.187 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -15.254 8.054 10.047 1.00 0.00 N ATOM 0 H GLN A 115 -9.936 6.968 9.408 1.00 0.00 H new ATOM 0 HA GLN A 115 -10.338 9.311 10.887 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.827 8.854 9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -12.245 7.276 9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.359 8.297 11.640 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.855 9.892 11.120 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -15.095 7.291 10.705 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -16.092 8.059 9.465 1.00 0.00 H new ATOM 1790 N GLU A 116 -11.060 8.880 13.127 1.00 0.00 N ATOM 1791 CA GLU A 116 -11.325 8.703 14.551 1.00 0.00 C ATOM 1792 C GLU A 116 -12.769 8.204 14.846 1.00 0.00 C ATOM 1793 O GLU A 116 -12.967 7.308 15.677 1.00 0.00 O ATOM 1794 CB GLU A 116 -11.098 10.036 15.277 1.00 0.00 C ATOM 1795 CG GLU A 116 -9.644 10.528 15.289 1.00 0.00 C ATOM 1796 CD GLU A 116 -8.693 9.601 16.035 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -9.173 8.784 16.853 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -7.466 9.705 15.822 1.00 0.00 O ATOM 0 H GLU A 116 -10.911 9.852 12.856 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.639 7.936 14.910 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.720 10.798 14.808 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.440 9.935 16.307 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.298 10.639 14.261 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.608 11.517 15.746 1.00 0.00 H new ATOM 1805 N THR A 117 -13.746 8.758 14.133 1.00 0.00 N ATOM 1806 CA THR A 117 -15.172 8.437 14.327 1.00 0.00 C ATOM 1807 C THR A 117 -16.010 9.466 13.542 1.00 0.00 C ATOM 1808 O THR A 117 -15.468 10.521 13.175 1.00 0.00 O ATOM 1809 CB THR A 117 -15.537 8.507 15.853 1.00 0.00 C ATOM 1810 OG1 THR A 117 -16.662 7.706 16.159 1.00 0.00 O ATOM 1811 CG2 THR A 117 -15.803 9.944 16.294 1.00 0.00 C ATOM 0 H THR A 117 -13.578 9.446 13.399 1.00 0.00 H new ATOM 0 HA THR A 117 -15.379 7.429 13.968 1.00 0.00 H new ATOM 0 HB THR A 117 -14.676 8.121 16.398 1.00 0.00 H new ATOM 0 HG1 THR A 117 -16.860 7.772 17.117 1.00 0.00 H new ATOM 0 HG21 THR A 117 -16.053 9.959 17.355 1.00 0.00 H new ATOM 0 HG22 THR A 117 -14.912 10.548 16.123 1.00 0.00 H new ATOM 0 HG23 THR A 117 -16.634 10.353 15.720 1.00 0.00 H new ATOM 1819 N PRO A 118 -17.309 9.166 13.187 1.00 0.00 N ATOM 1820 CA PRO A 118 -18.142 10.171 12.485 1.00 0.00 C ATOM 1821 C PRO A 118 -18.312 11.412 13.345 1.00 0.00 C ATOM 1822 O PRO A 118 -18.639 11.316 14.519 1.00 0.00 O ATOM 1823 CB PRO A 118 -19.499 9.450 12.333 1.00 0.00 C ATOM 1824 CG PRO A 118 -19.179 7.996 12.488 1.00 0.00 C ATOM 1825 CD PRO A 118 -18.009 7.910 13.424 1.00 0.00 C ATOM 0 HA PRO A 118 -17.711 10.501 11.540 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.210 9.781 13.090 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -19.949 9.655 11.362 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.035 7.452 12.887 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.937 7.548 11.524 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -18.328 7.815 14.462 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -17.378 7.048 13.204 1.00 0.00 H new ATOM 1833 N ILE A 119 -18.112 12.562 12.731 1.00 0.00 N ATOM 1834 CA ILE A 119 -18.175 13.810 13.429 1.00 0.00 C ATOM 1835 C ILE A 119 -18.990 14.856 12.672 1.00 0.00 C ATOM 1836 O ILE A 119 -18.780 15.058 11.493 1.00 0.00 O ATOM 1837 CB ILE A 119 -16.764 14.316 13.628 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -15.979 13.318 14.490 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -16.797 15.673 14.321 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -14.535 13.550 14.505 1.00 0.00 C ATOM 0 H ILE A 119 -17.902 12.647 11.736 1.00 0.00 H new ATOM 0 HA ILE A 119 -18.672 13.644 14.385 1.00 0.00 H new ATOM 0 HB ILE A 119 -16.278 14.420 12.658 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -16.354 13.363 15.512 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -16.171 12.309 14.125 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.778 16.034 14.463 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -17.351 16.382 13.706 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -17.285 15.575 15.291 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.053 12.803 15.136 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -14.144 13.475 13.490 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.330 14.545 14.900 1.00 0.00 H new ATOM 1852 N CYS A 120 -19.915 15.496 13.324 1.00 0.00 N ATOM 1853 CA CYS A 120 -20.611 16.620 12.703 1.00 0.00 C ATOM 1854 C CYS A 120 -20.764 17.768 13.761 1.00 0.00 C ATOM 1855 O CYS A 120 -21.320 17.556 14.833 1.00 0.00 O ATOM 1856 CB CYS A 120 -21.988 16.182 12.143 1.00 0.00 C ATOM 1857 SG CYS A 120 -21.904 14.877 10.820 1.00 0.00 S ATOM 0 H CYS A 120 -20.213 15.275 14.274 1.00 0.00 H new ATOM 0 HA CYS A 120 -20.028 16.987 11.858 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -22.598 15.809 12.965 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -22.497 17.057 11.740 1.00 0.00 H new ATOM 1862 N ASP A 121 -20.249 18.994 13.460 1.00 0.00 N ATOM 1863 CA ASP A 121 -20.307 20.128 14.448 1.00 0.00 C ATOM 1864 C ASP A 121 -21.731 20.514 14.811 1.00 0.00 C ATOM 1865 O ASP A 121 -22.059 20.591 15.994 1.00 0.00 O ATOM 1866 CB ASP A 121 -19.568 21.374 13.922 1.00 0.00 C ATOM 1867 CG ASP A 121 -19.384 22.508 14.960 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -20.138 22.588 15.924 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -18.474 23.315 14.781 1.00 0.00 O ATOM 0 H ASP A 121 -19.802 19.226 12.573 1.00 0.00 H new ATOM 0 HA ASP A 121 -19.811 19.762 15.347 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -18.586 21.070 13.559 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -20.116 21.769 13.066 1.00 0.00 H new ATOM 1874 N ARG A 122 -22.593 20.662 13.762 1.00 0.00 N ATOM 1875 CA ARG A 122 -24.005 21.107 13.906 1.00 0.00 C ATOM 1876 C ARG A 122 -24.499 21.245 15.358 1.00 0.00 C ATOM 1877 O ARG A 122 -25.005 20.226 15.920 1.00 0.00 O ATOM 1878 CB ARG A 122 -24.949 20.223 13.082 1.00 0.00 C ATOM 1879 CG ARG A 122 -26.440 20.503 13.346 1.00 0.00 C ATOM 1880 CD ARG A 122 -27.336 19.630 12.471 1.00 0.00 C ATOM 1881 NE ARG A 122 -27.222 20.005 11.075 1.00 0.00 N ATOM 1882 CZ ARG A 122 -27.977 20.998 10.538 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -29.068 21.420 11.166 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -27.650 21.506 9.368 1.00 0.00 N ATOM 0 H ARG A 122 -22.325 20.475 12.796 1.00 0.00 H new ATOM 0 HA ARG A 122 -24.022 22.121 13.508 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -24.742 20.373 12.022 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -24.739 19.176 13.303 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -26.665 20.320 14.397 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -26.654 21.554 13.153 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -27.061 18.582 12.594 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -28.372 19.727 12.794 1.00 0.00 H new ATOM 0 HE ARG A 122 -26.557 19.510 10.481 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -29.341 20.998 12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -29.633 22.166 10.761 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -26.833 21.154 8.869 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -28.214 22.252 8.960 1.00 0.00 H new