USER MOD reduce.3.24.130724 H: found=0, std=0, add=1497, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1498 hydrogens (22 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 93 TYR OH : rot 180:sc= -0.0563 USER MOD Set 1.2: A 192 BGC O6 : rot -18:sc= 0.34 USER MOD Set 2.1: A 191 GLC O2 : rot -125:sc= 0.0746 USER MOD Set 2.2: A 192 BGC O3 : rot 180:sc= 0 USER MOD Set 3.1: A 166 LYS NZ :NH3+ 179:sc= 0.445 (180deg=0.445) USER MOD Set 3.2: A 191 GLC O3 : rot -88:sc= 0.571 USER MOD Set 3.3: A 191 GLC O4 : rot 180:sc= 0 USER MOD Set 4.1: A 109 HIS : no HE2:sc= 0.0963 K(o=0.12,f=-0.44) USER MOD Set 4.2: A 147 SER OG : rot 30:sc= 0.0283 USER MOD Set 5.1: A 15 ASN : amide:sc= -2.53 X(o=-1.7,f=-1.3!) USER MOD Set 5.2: A 63 THR OG1 : rot -77:sc= 0.874 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.727 X(o=-0.73,f=-0.26) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HE2:sc= -1.25 K(o=-1.2,f=-2.3) USER MOD Single : A 29 TYR OH : rot 90:sc= -0.921 USER MOD Single : A 31 LYS NZ :NH3+ -129:sc= -0.129 (180deg=-0.466) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 100:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.62) USER MOD Single : A 58 GLN : amide:sc= -2.35! C(o=-2.3!,f=-3.4!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.702 K(o=-0.7,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.538 K(o=-0.54,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 1:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc=-0.00565 (180deg=-0.124) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.737 USER MOD Single : A 88 LYS NZ :NH3+ 146:sc= -2 (180deg=-4.28!) USER MOD Single : A 96 GLN : amide:sc= -0.0946 X(o=-0.095,f=-0.013) USER MOD Single : A 97 SER OG : rot 180:sc= -0.606 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= -0.0188 (180deg=-0.186) USER MOD Single : A 107 ASN : amide:sc= -3.08! C(o=-3.1!,f=-5.4!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HE2:sc= -0.0969 K(o=-0.097,f=-0.7) USER MOD Single : A 134 SER OG : rot 180:sc= -0.184 USER MOD Single : A 136 LYS NZ :NH3+ -167:sc=-0.00773 (180deg=-0.161) USER MOD Single : A 137 LYS NZ :NH3+ -158:sc= -0.0839 (180deg=-0.451) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0265 X(o=-0.026,f=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ -145:sc= -0.803 (180deg=-2.17) USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ 147:sc= 0.0434 (180deg=0) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -1.13! C(o=-1.1!,f=-3.8!) USER MOD Single : A 168 CYS SG : rot 70:sc= 0.774 USER MOD Single : A 173 MET CE :methyl 157:sc= -0.166 (180deg=-0.744) USER MOD Single : A 174 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.016) USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 186 HIS : no HE2:sc= 0.204 K(o=0.2,f=-2) USER MOD Single : A 191 GLC O6 : rot -16:sc= 0.283 USER MOD Single : A 192 BGC O1 : rot 180:sc= 0 USER MOD Single : A 192 BGC O2 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.847 -17.070 1.505 1.00 8.93 N ATOM 2 CA GLY A 1 24.903 -17.732 0.563 1.00 8.42 C ATOM 3 C GLY A 1 23.465 -17.313 0.794 1.00 7.62 C ATOM 4 O GLY A 1 22.852 -17.702 1.792 1.00 7.93 O ATOM 0 H1 GLY A 1 26.817 -17.389 1.306 1.00 8.93 H new ATOM 0 H2 GLY A 1 25.791 -16.038 1.385 1.00 8.93 H new ATOM 0 H3 GLY A 1 25.594 -17.319 2.482 1.00 8.93 H new ATOM 0 HA2 GLY A 1 25.188 -17.492 -0.461 1.00 8.42 H new ATOM 0 HA3 GLY A 1 24.985 -18.813 0.671 1.00 8.42 H new ATOM 10 N ALA A 2 22.919 -16.506 -0.150 1.00 6.82 N ATOM 11 CA ALA A 2 21.523 -16.003 -0.080 1.00 6.18 C ATOM 12 C ALA A 2 20.618 -16.648 -1.170 1.00 5.26 C ATOM 13 O ALA A 2 20.979 -16.714 -2.359 1.00 5.28 O ATOM 14 CB ALA A 2 21.500 -14.453 -0.180 1.00 6.51 C ATOM 0 H ALA A 2 23.428 -16.188 -0.974 1.00 6.82 H new ATOM 0 HA ALA A 2 21.114 -16.295 0.887 1.00 6.18 H new ATOM 0 HB1 ALA A 2 20.470 -14.100 -0.127 1.00 6.51 H new ATOM 0 HB2 ALA A 2 22.072 -14.027 0.644 1.00 6.51 H new ATOM 0 HB3 ALA A 2 21.942 -14.143 -1.127 1.00 6.51 H new ATOM 20 N MET A 3 19.441 -17.148 -0.735 1.00 4.80 N ATOM 21 CA MET A 3 18.471 -17.795 -1.641 1.00 4.18 C ATOM 22 C MET A 3 17.045 -17.232 -1.451 1.00 3.48 C ATOM 23 O MET A 3 16.518 -16.569 -2.349 1.00 3.94 O ATOM 24 CB MET A 3 18.466 -19.328 -1.428 1.00 4.96 C ATOM 25 CG MET A 3 19.766 -20.038 -1.838 1.00 5.72 C ATOM 26 SD MET A 3 19.724 -21.810 -1.493 1.00 6.64 S ATOM 27 CE MET A 3 21.381 -22.301 -1.972 1.00 7.64 C ATOM 0 H MET A 3 19.141 -17.115 0.239 1.00 4.80 H new ATOM 0 HA MET A 3 18.785 -17.576 -2.661 1.00 4.18 H new ATOM 0 HB2 MET A 3 18.272 -19.534 -0.375 1.00 4.96 H new ATOM 0 HB3 MET A 3 17.640 -19.757 -1.995 1.00 4.96 H new ATOM 0 HG2 MET A 3 19.941 -19.882 -2.903 1.00 5.72 H new ATOM 0 HG3 MET A 3 20.605 -19.588 -1.308 1.00 5.72 H new ATOM 0 HE1 MET A 3 21.503 -23.373 -1.814 1.00 7.64 H new ATOM 0 HE2 MET A 3 21.539 -22.069 -3.025 1.00 7.64 H new ATOM 0 HE3 MET A 3 22.110 -21.760 -1.368 1.00 7.64 H new ATOM 37 N SER A 4 16.429 -17.502 -0.278 1.00 2.65 N ATOM 38 CA SER A 4 15.068 -17.027 0.032 1.00 2.27 C ATOM 39 C SER A 4 14.979 -16.444 1.452 1.00 1.31 C ATOM 40 O SER A 4 15.170 -17.158 2.445 1.00 0.88 O ATOM 41 CB SER A 4 14.048 -18.168 -0.124 1.00 2.95 C ATOM 42 OG SER A 4 13.690 -18.365 -1.484 1.00 3.86 O ATOM 0 H SER A 4 16.857 -18.048 0.469 1.00 2.65 H new ATOM 0 HA SER A 4 14.834 -16.233 -0.677 1.00 2.27 H new ATOM 0 HB2 SER A 4 14.467 -19.090 0.280 1.00 2.95 H new ATOM 0 HB3 SER A 4 13.155 -17.941 0.459 1.00 2.95 H new ATOM 0 HG SER A 4 13.042 -19.098 -1.549 1.00 3.86 H new ATOM 48 N GLY A 5 14.683 -15.138 1.529 1.00 1.11 N ATOM 49 CA GLY A 5 14.568 -14.456 2.815 1.00 0.31 C ATOM 50 C GLY A 5 13.920 -13.083 2.707 1.00 0.28 C ATOM 51 O GLY A 5 14.612 -12.080 2.530 1.00 0.31 O ATOM 0 H GLY A 5 14.521 -14.541 0.718 1.00 1.11 H new ATOM 0 HA2 GLY A 5 13.984 -15.074 3.496 1.00 0.31 H new ATOM 0 HA3 GLY A 5 15.560 -14.349 3.253 1.00 0.31 H new ATOM 55 N LEU A 6 12.572 -13.050 2.814 1.00 0.23 N ATOM 56 CA LEU A 6 11.770 -11.798 2.741 1.00 0.22 C ATOM 57 C LEU A 6 11.597 -11.092 4.126 1.00 0.17 C ATOM 58 O LEU A 6 11.741 -9.860 4.234 1.00 0.16 O ATOM 59 CB LEU A 6 10.404 -12.125 2.086 1.00 0.24 C ATOM 60 CG LEU A 6 9.506 -10.926 1.663 1.00 0.27 C ATOM 61 CD1 LEU A 6 10.234 -9.890 0.802 1.00 0.33 C ATOM 62 CD2 LEU A 6 8.235 -11.369 0.926 1.00 0.35 C ATOM 0 H LEU A 6 12.006 -13.887 2.953 1.00 0.23 H new ATOM 0 HA LEU A 6 12.313 -11.079 2.128 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.592 -12.733 1.201 1.00 0.24 H new ATOM 0 HB3 LEU A 6 9.836 -12.742 2.782 1.00 0.24 H new ATOM 0 HG LEU A 6 9.231 -10.457 2.608 1.00 0.27 H new ATOM 0 HD11 LEU A 6 9.547 -9.084 0.545 1.00 0.33 H new ATOM 0 HD12 LEU A 6 11.079 -9.484 1.358 1.00 0.33 H new ATOM 0 HD13 LEU A 6 10.595 -10.364 -0.111 1.00 0.33 H new ATOM 0 HD21 LEU A 6 7.647 -10.492 0.655 1.00 0.35 H new ATOM 0 HD22 LEU A 6 8.509 -11.915 0.023 1.00 0.35 H new ATOM 0 HD23 LEU A 6 7.644 -12.015 1.575 1.00 0.35 H new ATOM 74 N ALA A 7 11.273 -11.904 5.178 1.00 0.17 N ATOM 75 CA ALA A 7 11.125 -11.470 6.616 1.00 0.16 C ATOM 76 C ALA A 7 12.418 -10.821 7.259 1.00 0.15 C ATOM 77 O ALA A 7 12.319 -10.035 8.212 1.00 0.15 O ATOM 78 CB ALA A 7 10.676 -12.691 7.450 1.00 0.20 C ATOM 0 H ALA A 7 11.102 -12.902 5.054 1.00 0.17 H new ATOM 0 HA ALA A 7 10.381 -10.674 6.624 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.563 -12.397 8.494 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.722 -13.059 7.072 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.425 -13.479 7.374 1.00 0.20 H new ATOM 84 N ASP A 8 13.623 -11.145 6.697 1.00 0.16 N ATOM 85 CA ASP A 8 14.924 -10.590 7.151 1.00 0.18 C ATOM 86 C ASP A 8 15.298 -9.229 6.470 1.00 0.17 C ATOM 87 O ASP A 8 16.248 -8.569 6.900 1.00 0.21 O ATOM 88 CB ASP A 8 16.045 -11.613 6.906 1.00 0.21 C ATOM 89 CG ASP A 8 16.540 -12.272 8.189 1.00 0.26 C ATOM 90 OD1 ASP A 8 17.356 -11.647 8.899 1.00 0.32 O ATOM 91 OD2 ASP A 8 16.112 -13.410 8.478 1.00 0.31 O ATOM 0 H ASP A 8 13.712 -11.798 5.918 1.00 0.16 H new ATOM 0 HA ASP A 8 14.815 -10.388 8.217 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.684 -12.383 6.224 1.00 0.21 H new ATOM 0 HB3 ASP A 8 16.881 -11.117 6.413 1.00 0.21 H new ATOM 96 N LYS A 9 14.539 -8.822 5.412 1.00 0.14 N ATOM 97 CA LYS A 9 14.789 -7.550 4.696 1.00 0.14 C ATOM 98 C LYS A 9 13.755 -6.443 5.030 1.00 0.10 C ATOM 99 O LYS A 9 14.090 -5.266 4.876 1.00 0.10 O ATOM 100 CB LYS A 9 14.854 -7.739 3.157 1.00 0.19 C ATOM 101 CG LYS A 9 15.476 -9.072 2.674 1.00 0.32 C ATOM 102 CD LYS A 9 16.974 -9.202 3.043 1.00 0.92 C ATOM 103 CE LYS A 9 17.607 -10.483 2.478 1.00 1.20 C ATOM 104 NZ LYS A 9 19.033 -10.615 2.885 1.00 1.73 N ATOM 0 H LYS A 9 13.754 -9.359 5.043 1.00 0.14 H new ATOM 0 HA LYS A 9 15.764 -7.222 5.056 1.00 0.14 H new ATOM 0 HB2 LYS A 9 13.843 -7.664 2.756 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.427 -6.916 2.731 1.00 0.19 H new ATOM 0 HG2 LYS A 9 14.925 -9.905 3.111 1.00 0.32 H new ATOM 0 HG3 LYS A 9 15.365 -9.149 1.592 1.00 0.32 H new ATOM 0 HD2 LYS A 9 17.515 -8.335 2.664 1.00 0.92 H new ATOM 0 HD3 LYS A 9 17.080 -9.195 4.128 1.00 0.92 H new ATOM 0 HE2 LYS A 9 17.047 -11.351 2.826 1.00 1.20 H new ATOM 0 HE3 LYS A 9 17.538 -10.475 1.390 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 19.428 -11.490 2.486 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 19.572 -9.799 2.531 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 19.096 -10.648 3.923 1.00 1.73 H new ATOM 118 N VAL A 10 12.487 -6.803 5.466 1.00 0.09 N ATOM 119 CA VAL A 10 11.416 -5.807 5.873 1.00 0.07 C ATOM 120 C VAL A 10 11.870 -4.705 6.933 1.00 0.06 C ATOM 121 O VAL A 10 12.522 -5.010 7.941 1.00 0.09 O ATOM 122 CB VAL A 10 10.061 -6.584 6.294 1.00 0.08 C ATOM 123 CG1 VAL A 10 10.090 -7.333 7.670 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.789 -5.686 6.212 1.00 0.10 C ATOM 0 H VAL A 10 12.185 -7.774 5.543 1.00 0.09 H new ATOM 0 HA VAL A 10 11.210 -5.206 4.987 1.00 0.07 H new ATOM 0 HB VAL A 10 10.007 -7.362 5.533 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.128 -7.815 7.842 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.876 -8.088 7.657 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.286 -6.618 8.469 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.914 -6.266 6.507 1.00 0.10 H new ATOM 0 HG22 VAL A 10 8.902 -4.834 6.882 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.660 -5.330 5.190 1.00 0.10 H new ATOM 134 N ILE A 11 11.505 -3.444 6.642 1.00 0.06 N ATOM 135 CA ILE A 11 11.831 -2.308 7.544 1.00 0.07 C ATOM 136 C ILE A 11 10.559 -1.578 8.044 1.00 0.07 C ATOM 137 O ILE A 11 10.558 -1.030 9.150 1.00 0.08 O ATOM 138 CB ILE A 11 12.811 -1.241 6.903 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.386 -0.869 5.439 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.298 -1.728 6.970 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.411 0.631 5.120 1.00 0.16 C ATOM 0 H ILE A 11 10.990 -3.180 5.802 1.00 0.06 H new ATOM 0 HA ILE A 11 12.346 -2.773 8.385 1.00 0.07 H new ATOM 0 HB ILE A 11 12.738 -0.329 7.495 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.047 -1.385 4.742 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.379 -1.246 5.262 1.00 0.10 H new ATOM 0 HG21 ILE A 11 14.948 -0.976 6.523 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.584 -1.882 8.010 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.399 -2.666 6.423 1.00 0.13 H new ATOM 0 HD11 ILE A 11 12.102 0.788 4.087 1.00 0.16 H new ATOM 0 HD12 ILE A 11 11.727 1.156 5.787 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.421 1.016 5.259 1.00 0.16 H new ATOM 153 N TRP A 12 9.480 -1.581 7.222 1.00 0.06 N ATOM 154 CA TRP A 12 8.226 -0.900 7.562 1.00 0.07 C ATOM 155 C TRP A 12 7.045 -1.409 6.693 1.00 0.08 C ATOM 156 O TRP A 12 7.075 -1.293 5.478 1.00 0.10 O ATOM 157 CB TRP A 12 8.451 0.606 7.355 1.00 0.10 C ATOM 158 CG TRP A 12 7.585 1.483 8.205 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.874 2.050 9.415 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.267 1.866 7.883 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.788 2.767 9.860 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.786 2.662 8.931 1.00 0.30 C ATOM 163 CE3 TRP A 12 5.453 1.596 6.795 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.506 3.196 8.914 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.194 2.115 6.776 1.00 0.51 C ATOM 166 CH2 TRP A 12 3.721 2.908 7.829 1.00 0.54 C ATOM 0 H TRP A 12 9.463 -2.052 6.318 1.00 0.06 H new ATOM 0 HA TRP A 12 7.957 -1.110 8.597 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.496 0.837 7.563 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.274 0.847 6.307 1.00 0.10 H new ATOM 0 HD1 TRP A 12 8.812 1.950 9.941 1.00 0.19 H new ATOM 0 HE1 TRP A 12 6.737 3.289 10.735 1.00 0.26 H new ATOM 0 HE3 TRP A 12 5.810 0.986 5.978 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 4.143 3.813 9.723 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 3.549 1.911 5.934 1.00 0.51 H new ATOM 0 HH2 TRP A 12 2.716 3.301 7.785 1.00 0.54 H new ATOM 177 N ALA A 13 5.991 -2.002 7.328 1.00 0.09 N ATOM 178 CA ALA A 13 4.783 -2.512 6.592 1.00 0.12 C ATOM 179 C ALA A 13 3.482 -2.243 7.395 1.00 0.16 C ATOM 180 O ALA A 13 3.395 -2.582 8.591 1.00 0.19 O ATOM 181 CB ALA A 13 4.896 -4.028 6.249 1.00 0.14 C ATOM 0 H ALA A 13 5.949 -2.140 8.338 1.00 0.09 H new ATOM 0 HA ALA A 13 4.738 -1.962 5.652 1.00 0.12 H new ATOM 0 HB1 ALA A 13 4.000 -4.349 5.718 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.770 -4.194 5.619 1.00 0.14 H new ATOM 0 HB3 ALA A 13 4.998 -4.603 7.170 1.00 0.14 H new ATOM 187 N VAL A 14 2.460 -1.621 6.739 1.00 0.20 N ATOM 188 CA VAL A 14 1.171 -1.299 7.430 1.00 0.26 C ATOM 189 C VAL A 14 -0.099 -1.536 6.549 1.00 0.27 C ATOM 190 O VAL A 14 -0.169 -1.129 5.389 1.00 0.28 O ATOM 191 CB VAL A 14 1.214 0.194 8.118 1.00 0.34 C ATOM 192 CG1 VAL A 14 -0.117 0.992 8.267 1.00 0.80 C ATOM 193 CG2 VAL A 14 1.773 0.132 9.536 1.00 1.05 C ATOM 0 H VAL A 14 2.498 -1.338 5.760 1.00 0.20 H new ATOM 0 HA VAL A 14 1.071 -2.022 8.240 1.00 0.26 H new ATOM 0 HB VAL A 14 1.831 0.719 7.389 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.086 1.954 8.738 1.00 0.80 H new ATOM 0 HG12 VAL A 14 -0.555 1.156 7.282 1.00 0.80 H new ATOM 0 HG13 VAL A 14 -0.814 0.425 8.884 1.00 0.80 H new ATOM 0 HG21 VAL A 14 1.789 1.134 9.965 1.00 1.05 H new ATOM 0 HG22 VAL A 14 1.143 -0.514 10.147 1.00 1.05 H new ATOM 0 HG23 VAL A 14 2.787 -0.268 9.510 1.00 1.05 H new ATOM 203 N ASN A 15 -1.117 -2.166 7.188 1.00 0.33 N ATOM 204 CA ASN A 15 -2.454 -2.339 6.580 1.00 0.43 C ATOM 205 C ASN A 15 -3.447 -1.546 7.449 1.00 0.46 C ATOM 206 O ASN A 15 -3.868 -2.018 8.501 1.00 0.55 O ATOM 207 CB ASN A 15 -2.911 -3.839 6.404 1.00 0.56 C ATOM 208 CG ASN A 15 -4.144 -4.020 5.504 1.00 1.40 C ATOM 209 OD1 ASN A 15 -4.958 -4.898 5.749 1.00 2.05 O ATOM 210 ND2 ASN A 15 -4.293 -3.184 4.488 1.00 2.11 N ATOM 0 H ASN A 15 -1.034 -2.562 8.124 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.418 -1.962 5.558 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -2.083 -4.413 5.987 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -3.127 -4.259 7.386 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -5.108 -3.261 3.880 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -3.593 -2.463 4.314 1.00 2.11 H new ATOM 217 N ALA A 16 -3.852 -0.344 6.964 1.00 0.47 N ATOM 218 CA ALA A 16 -4.791 0.542 7.697 1.00 0.54 C ATOM 219 C ALA A 16 -6.253 0.023 7.618 1.00 0.58 C ATOM 220 O ALA A 16 -6.948 0.158 6.588 1.00 0.63 O ATOM 221 CB ALA A 16 -4.661 1.999 7.198 1.00 0.59 C ATOM 0 H ALA A 16 -3.542 0.033 6.068 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.518 0.528 8.752 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.356 2.635 7.746 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -3.642 2.350 7.362 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -4.893 2.041 6.134 1.00 0.59 H new ATOM 227 N GLY A 17 -6.644 -0.669 8.707 1.00 0.58 N ATOM 228 CA GLY A 17 -7.992 -1.246 8.787 1.00 0.61 C ATOM 229 C GLY A 17 -8.294 -2.164 9.970 1.00 0.62 C ATOM 230 O GLY A 17 -9.432 -2.180 10.445 1.00 0.71 O ATOM 0 H GLY A 17 -6.057 -0.837 9.524 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -8.709 -0.425 8.806 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.173 -1.807 7.870 1.00 0.61 H new ATOM 234 N GLY A 18 -7.297 -2.923 10.453 1.00 0.72 N ATOM 235 CA GLY A 18 -7.554 -3.877 11.543 1.00 0.73 C ATOM 236 C GLY A 18 -6.635 -3.749 12.749 1.00 0.68 C ATOM 237 O GLY A 18 -6.662 -2.735 13.455 1.00 0.80 O ATOM 0 H GLY A 18 -6.334 -2.898 10.118 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -8.584 -3.753 11.877 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -7.467 -4.889 11.146 1.00 0.73 H new ATOM 241 N GLU A 19 -5.824 -4.798 12.982 1.00 0.59 N ATOM 242 CA GLU A 19 -4.873 -4.847 14.109 1.00 0.60 C ATOM 243 C GLU A 19 -3.852 -5.992 13.910 1.00 0.54 C ATOM 244 O GLU A 19 -4.231 -7.167 13.881 1.00 0.65 O ATOM 245 CB GLU A 19 -5.672 -4.978 15.466 1.00 0.77 C ATOM 246 CG GLU A 19 -5.181 -6.024 16.494 1.00 1.43 C ATOM 247 CD GLU A 19 -5.901 -5.914 17.825 1.00 1.39 C ATOM 248 OE1 GLU A 19 -6.997 -6.499 17.959 1.00 1.50 O ATOM 249 OE2 GLU A 19 -5.369 -5.241 18.734 1.00 1.63 O ATOM 0 H GLU A 19 -5.809 -5.633 12.396 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.299 -3.921 14.149 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -5.668 -4.003 15.953 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -6.709 -5.209 15.223 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -5.327 -7.025 16.087 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -4.110 -5.898 16.653 1.00 1.43 H new ATOM 256 N SER A 20 -2.543 -5.592 13.785 1.00 0.48 N ATOM 257 CA SER A 20 -1.307 -6.467 13.627 1.00 0.45 C ATOM 258 C SER A 20 -1.438 -7.813 12.840 1.00 0.43 C ATOM 259 O SER A 20 -2.015 -8.778 13.360 1.00 0.51 O ATOM 260 CB SER A 20 -0.724 -6.763 15.017 1.00 0.52 C ATOM 261 OG SER A 20 0.141 -5.723 15.446 1.00 1.00 O ATOM 0 H SER A 20 -2.299 -4.602 13.791 1.00 0.48 H new ATOM 0 HA SER A 20 -0.658 -5.865 12.991 1.00 0.45 H new ATOM 0 HB2 SER A 20 -1.535 -6.884 15.735 1.00 0.52 H new ATOM 0 HB3 SER A 20 -0.178 -7.706 14.991 1.00 0.52 H new ATOM 0 HG SER A 20 0.496 -5.938 16.334 1.00 1.00 H new ATOM 267 N HIS A 21 -0.877 -7.893 11.614 1.00 0.39 N ATOM 268 CA HIS A 21 -0.977 -9.160 10.835 1.00 0.40 C ATOM 269 C HIS A 21 0.352 -9.611 10.215 1.00 0.40 C ATOM 270 O HIS A 21 1.041 -8.851 9.549 1.00 0.41 O ATOM 271 CB HIS A 21 -2.062 -9.066 9.714 1.00 0.43 C ATOM 272 CG HIS A 21 -2.177 -10.301 8.821 1.00 0.41 C ATOM 273 ND1 HIS A 21 -3.002 -11.372 9.088 1.00 0.39 N ATOM 274 CD2 HIS A 21 -1.522 -10.636 7.673 1.00 0.45 C ATOM 275 CE1 HIS A 21 -2.833 -12.289 8.143 1.00 0.40 C ATOM 276 NE2 HIS A 21 -1.946 -11.861 7.293 1.00 0.43 N ATOM 0 H HIS A 21 -0.371 -7.137 11.153 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.269 -9.913 11.567 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -3.030 -8.882 10.181 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -1.841 -8.202 9.087 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -0.792 -10.029 7.158 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -3.348 -13.237 8.089 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -1.622 -12.370 6.470 1.00 0.43 H new ATOM 285 N VAL A 22 0.637 -10.916 10.381 1.00 0.41 N ATOM 286 CA VAL A 22 1.828 -11.560 9.772 1.00 0.43 C ATOM 287 C VAL A 22 1.379 -12.430 8.582 1.00 0.44 C ATOM 288 O VAL A 22 0.631 -13.404 8.745 1.00 0.48 O ATOM 289 CB VAL A 22 2.760 -12.476 10.689 1.00 0.49 C ATOM 290 CG1 VAL A 22 4.175 -11.897 10.853 1.00 1.38 C ATOM 291 CG2 VAL A 22 2.212 -12.846 12.090 1.00 1.39 C ATOM 0 H VAL A 22 0.060 -11.551 10.933 1.00 0.41 H new ATOM 0 HA VAL A 22 2.449 -10.702 9.513 1.00 0.43 H new ATOM 0 HB VAL A 22 2.783 -13.405 10.119 1.00 0.49 H new ATOM 0 HG11 VAL A 22 4.768 -12.558 11.485 1.00 1.38 H new ATOM 0 HG12 VAL A 22 4.648 -11.810 9.875 1.00 1.38 H new ATOM 0 HG13 VAL A 22 4.114 -10.912 11.315 1.00 1.38 H new ATOM 0 HG21 VAL A 22 2.938 -13.469 12.612 1.00 1.39 H new ATOM 0 HG22 VAL A 22 2.036 -11.936 12.664 1.00 1.39 H new ATOM 0 HG23 VAL A 22 1.276 -13.393 11.982 1.00 1.39 H new ATOM 301 N ASP A 23 1.864 -12.059 7.391 1.00 0.41 N ATOM 302 CA ASP A 23 1.552 -12.771 6.137 1.00 0.44 C ATOM 303 C ASP A 23 2.531 -13.968 5.897 1.00 0.43 C ATOM 304 O ASP A 23 3.611 -14.011 6.491 1.00 0.41 O ATOM 305 CB ASP A 23 1.534 -11.738 4.987 1.00 0.49 C ATOM 306 CG ASP A 23 0.577 -12.089 3.854 1.00 1.04 C ATOM 307 OD1 ASP A 23 -0.627 -12.243 4.131 1.00 1.85 O ATOM 308 OD2 ASP A 23 1.038 -12.215 2.700 1.00 1.46 O ATOM 0 H ASP A 23 2.483 -11.258 7.265 1.00 0.41 H new ATOM 0 HA ASP A 23 0.566 -13.232 6.194 1.00 0.44 H new ATOM 0 HB2 ASP A 23 1.260 -10.764 5.392 1.00 0.49 H new ATOM 0 HB3 ASP A 23 2.541 -11.643 4.582 1.00 0.49 H new ATOM 313 N VAL A 24 2.113 -14.888 4.974 1.00 0.47 N ATOM 314 CA VAL A 24 2.793 -16.218 4.596 1.00 0.50 C ATOM 315 C VAL A 24 4.350 -16.265 4.391 1.00 0.47 C ATOM 316 O VAL A 24 4.947 -17.335 4.551 1.00 0.51 O ATOM 317 CB VAL A 24 2.097 -16.974 3.359 1.00 0.57 C ATOM 318 CG1 VAL A 24 0.904 -17.833 3.817 1.00 0.72 C ATOM 319 CG2 VAL A 24 1.613 -16.047 2.199 1.00 0.58 C ATOM 0 H VAL A 24 1.259 -14.739 4.437 1.00 0.47 H new ATOM 0 HA VAL A 24 2.625 -16.741 5.538 1.00 0.50 H new ATOM 0 HB VAL A 24 2.899 -17.596 2.961 1.00 0.57 H new ATOM 0 HG11 VAL A 24 0.460 -18.328 2.954 1.00 0.72 H new ATOM 0 HG12 VAL A 24 1.248 -18.584 4.529 1.00 0.72 H new ATOM 0 HG13 VAL A 24 0.159 -17.196 4.293 1.00 0.72 H new ATOM 0 HG21 VAL A 24 1.159 -16.653 1.415 1.00 0.58 H new ATOM 0 HG22 VAL A 24 0.878 -15.339 2.582 1.00 0.58 H new ATOM 0 HG23 VAL A 24 2.464 -15.502 1.790 1.00 0.58 H new ATOM 329 N HIS A 25 4.985 -15.136 4.048 1.00 0.42 N ATOM 330 CA HIS A 25 6.462 -15.071 3.901 1.00 0.40 C ATOM 331 C HIS A 25 7.141 -14.495 5.189 1.00 0.36 C ATOM 332 O HIS A 25 8.366 -14.537 5.332 1.00 0.39 O ATOM 333 CB HIS A 25 6.848 -14.208 2.687 1.00 0.38 C ATOM 334 CG HIS A 25 6.055 -14.486 1.436 1.00 0.42 C ATOM 335 ND1 HIS A 25 6.353 -15.512 0.563 1.00 0.45 N ATOM 336 CD2 HIS A 25 4.969 -13.857 0.915 1.00 0.48 C ATOM 337 CE1 HIS A 25 5.487 -15.502 -0.437 1.00 0.49 C ATOM 338 NE2 HIS A 25 4.639 -14.509 -0.245 1.00 0.51 N ATOM 0 H HIS A 25 4.509 -14.253 3.866 1.00 0.42 H new ATOM 0 HA HIS A 25 6.818 -16.090 3.748 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.726 -13.158 2.952 1.00 0.38 H new ATOM 0 HB3 HIS A 25 7.905 -14.361 2.472 1.00 0.38 H new ATOM 0 HD2 HIS A 25 4.460 -13.002 1.336 1.00 0.48 H new ATOM 0 HE1 HIS A 25 5.476 -16.190 -1.270 1.00 0.49 H new ATOM 0 HE2 HIS A 25 3.863 -14.266 -0.861 1.00 0.51 H new ATOM 347 N GLY A 26 6.294 -13.965 6.111 1.00 0.34 N ATOM 348 CA GLY A 26 6.707 -13.377 7.380 1.00 0.32 C ATOM 349 C GLY A 26 6.720 -11.847 7.383 1.00 0.27 C ATOM 350 O GLY A 26 7.620 -11.232 7.958 1.00 0.26 O ATOM 0 H GLY A 26 5.284 -13.942 5.973 1.00 0.34 H new ATOM 0 HA2 GLY A 26 6.036 -13.726 8.165 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.705 -13.739 7.629 1.00 0.32 H new ATOM 354 N ILE A 27 5.696 -11.236 6.745 1.00 0.26 N ATOM 355 CA ILE A 27 5.582 -9.761 6.664 1.00 0.23 C ATOM 356 C ILE A 27 4.462 -9.275 7.649 1.00 0.26 C ATOM 357 O ILE A 27 3.287 -9.596 7.486 1.00 0.33 O ATOM 358 CB ILE A 27 5.410 -9.301 5.131 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.694 -9.597 4.245 1.00 0.18 C ATOM 360 CG2 ILE A 27 5.012 -7.803 4.896 1.00 0.26 C ATOM 361 CD1 ILE A 27 8.086 -9.240 4.791 1.00 0.55 C ATOM 0 H ILE A 27 4.940 -11.739 6.280 1.00 0.26 H new ATOM 0 HA ILE A 27 6.497 -9.269 6.996 1.00 0.23 H new ATOM 0 HB ILE A 27 4.567 -9.917 4.819 1.00 0.22 H new ATOM 0 HG12 ILE A 27 6.696 -10.663 4.017 1.00 0.18 H new ATOM 0 HG13 ILE A 27 6.568 -9.069 3.300 1.00 0.18 H new ATOM 0 HG21 ILE A 27 4.926 -7.613 3.826 1.00 0.26 H new ATOM 0 HG22 ILE A 27 4.056 -7.601 5.378 1.00 0.26 H new ATOM 0 HG23 ILE A 27 5.777 -7.152 5.320 1.00 0.26 H new ATOM 0 HD11 ILE A 27 8.845 -9.510 4.057 1.00 0.55 H new ATOM 0 HD12 ILE A 27 8.136 -8.169 4.988 1.00 0.55 H new ATOM 0 HD13 ILE A 27 8.265 -9.788 5.716 1.00 0.55 H new ATOM 373 N HIS A 28 4.871 -8.440 8.616 1.00 0.25 N ATOM 374 CA HIS A 28 3.975 -7.955 9.681 1.00 0.30 C ATOM 375 C HIS A 28 3.515 -6.488 9.548 1.00 0.28 C ATOM 376 O HIS A 28 4.308 -5.580 9.282 1.00 0.28 O ATOM 377 CB HIS A 28 4.711 -8.114 11.020 1.00 0.40 C ATOM 378 CG HIS A 28 3.850 -8.342 12.242 1.00 0.63 C ATOM 379 ND1 HIS A 28 4.170 -9.269 13.211 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.696 -7.765 12.652 1.00 0.96 C ATOM 381 CE1 HIS A 28 3.251 -9.254 14.157 1.00 1.30 C ATOM 382 NE2 HIS A 28 2.345 -8.349 13.844 1.00 1.34 N ATOM 0 H HIS A 28 5.824 -8.083 8.684 1.00 0.25 H new ATOM 0 HA HIS A 28 3.066 -8.552 9.609 1.00 0.30 H new ATOM 0 HB2 HIS A 28 5.404 -8.950 10.931 1.00 0.40 H new ATOM 0 HB3 HIS A 28 5.311 -7.219 11.188 1.00 0.40 H new ATOM 0 HD1 HIS A 28 4.991 -9.874 13.198 1.00 0.93 H new ATOM 0 HD2 HIS A 28 2.151 -6.988 12.136 1.00 0.96 H new ATOM 0 HE1 HIS A 28 3.242 -9.878 15.039 1.00 1.30 H new ATOM 391 N TYR A 29 2.193 -6.295 9.777 1.00 0.33 N ATOM 392 CA TYR A 29 1.558 -4.948 9.815 1.00 0.38 C ATOM 393 C TYR A 29 1.489 -4.451 11.287 1.00 0.45 C ATOM 394 O TYR A 29 1.039 -5.182 12.181 1.00 0.46 O ATOM 395 CB TYR A 29 0.134 -4.926 9.096 1.00 0.45 C ATOM 396 CG TYR A 29 -1.052 -4.227 9.845 1.00 0.98 C ATOM 397 CD1 TYR A 29 -0.991 -2.896 10.278 1.00 1.31 C ATOM 398 CD2 TYR A 29 -2.228 -4.927 10.134 1.00 1.34 C ATOM 399 CE1 TYR A 29 -2.063 -2.316 10.954 1.00 1.91 C ATOM 400 CE2 TYR A 29 -3.279 -4.353 10.800 1.00 1.91 C ATOM 401 CZ TYR A 29 -3.135 -2.901 11.157 1.00 2.21 C ATOM 402 OH TYR A 29 -4.260 -2.521 11.875 1.00 2.79 O ATOM 0 H TYR A 29 1.538 -7.060 9.940 1.00 0.33 H new ATOM 0 HA TYR A 29 2.177 -4.256 9.245 1.00 0.38 H new ATOM 0 HB2 TYR A 29 0.254 -4.437 8.129 1.00 0.45 H new ATOM 0 HB3 TYR A 29 -0.157 -5.958 8.897 1.00 0.45 H new ATOM 0 HD1 TYR A 29 -0.103 -2.312 10.086 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -2.311 -5.957 9.821 1.00 1.34 H new ATOM 0 HE1 TYR A 29 -1.953 -1.306 11.319 1.00 1.91 H new ATOM 0 HE2 TYR A 29 -4.165 -4.915 11.055 1.00 1.91 H new ATOM 0 HH TYR A 29 -4.880 -2.044 11.284 1.00 2.79 H new ATOM 412 N ARG A 30 1.879 -3.165 11.476 1.00 0.54 N ATOM 413 CA ARG A 30 1.912 -2.490 12.798 1.00 0.63 C ATOM 414 C ARG A 30 0.590 -1.760 13.147 1.00 0.91 C ATOM 415 O ARG A 30 0.263 -0.726 12.569 1.00 1.87 O ATOM 416 CB ARG A 30 3.064 -1.467 12.826 1.00 0.72 C ATOM 417 CG ARG A 30 4.461 -2.054 12.537 1.00 0.68 C ATOM 418 CD ARG A 30 5.490 -0.965 12.184 1.00 0.87 C ATOM 419 NE ARG A 30 6.862 -1.457 12.311 1.00 1.70 N ATOM 420 CZ ARG A 30 7.937 -0.673 12.309 1.00 2.08 C ATOM 421 NH1 ARG A 30 7.807 0.641 12.178 1.00 1.93 N ATOM 422 NH2 ARG A 30 9.145 -1.204 12.435 1.00 3.00 N ATOM 0 H ARG A 30 2.181 -2.563 10.710 1.00 0.54 H new ATOM 0 HA ARG A 30 2.059 -3.273 13.542 1.00 0.63 H new ATOM 0 HB2 ARG A 30 2.855 -0.687 12.094 1.00 0.72 H new ATOM 0 HB3 ARG A 30 3.082 -0.989 13.805 1.00 0.72 H new ATOM 0 HG2 ARG A 30 4.807 -2.609 13.409 1.00 0.68 H new ATOM 0 HG3 ARG A 30 4.391 -2.765 11.714 1.00 0.68 H new ATOM 0 HD2 ARG A 30 5.320 -0.620 11.164 1.00 0.87 H new ATOM 0 HD3 ARG A 30 5.349 -0.105 12.839 1.00 0.87 H new ATOM 0 HE ARG A 30 7.003 -2.463 12.407 1.00 1.70 H new ATOM 0 HH11 ARG A 30 6.880 1.054 12.078 1.00 1.93 H new ATOM 0 HH12 ARG A 30 8.634 1.238 12.177 1.00 1.93 H new ATOM 0 HH21 ARG A 30 9.251 -2.214 12.533 1.00 3.00 H new ATOM 0 HH22 ARG A 30 9.969 -0.603 12.433 1.00 3.00 H new ATOM 436 N LYS A 31 -0.163 -2.382 14.083 1.00 0.57 N ATOM 437 CA LYS A 31 -1.484 -1.938 14.666 1.00 0.59 C ATOM 438 C LYS A 31 -1.669 -0.420 15.025 1.00 0.64 C ATOM 439 O LYS A 31 -1.071 0.089 15.977 1.00 0.79 O ATOM 440 CB LYS A 31 -1.714 -2.807 15.940 1.00 0.73 C ATOM 441 CG LYS A 31 -3.059 -2.595 16.706 1.00 1.15 C ATOM 442 CD LYS A 31 -2.919 -1.682 17.949 1.00 1.44 C ATOM 443 CE LYS A 31 -4.264 -1.474 18.671 1.00 1.70 C ATOM 444 NZ LYS A 31 -5.285 -0.852 17.782 1.00 2.30 N ATOM 0 H LYS A 31 0.141 -3.267 14.489 1.00 0.57 H new ATOM 0 HA LYS A 31 -2.217 -2.077 13.872 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -1.650 -3.856 15.651 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -0.895 -2.616 16.633 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -3.792 -2.161 16.026 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -3.448 -3.564 17.018 1.00 1.15 H new ATOM 0 HD2 LYS A 31 -2.201 -2.121 18.641 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -2.518 -0.715 17.645 1.00 1.44 H new ATOM 0 HE2 LYS A 31 -4.634 -2.434 19.032 1.00 1.70 H new ATOM 0 HE3 LYS A 31 -4.112 -0.842 19.546 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 -5.706 -0.029 18.259 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -4.834 -0.545 16.897 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 -6.029 -1.547 17.569 1.00 2.30 H new ATOM 458 N ASP A 32 -2.535 0.251 14.209 1.00 0.61 N ATOM 459 CA ASP A 32 -2.984 1.706 14.340 1.00 0.72 C ATOM 460 C ASP A 32 -1.882 2.812 14.564 1.00 0.75 C ATOM 461 O ASP A 32 -1.919 3.515 15.578 1.00 1.00 O ATOM 462 CB ASP A 32 -4.041 1.815 15.467 1.00 0.86 C ATOM 463 CG ASP A 32 -5.459 1.495 15.007 1.00 0.95 C ATOM 464 OD1 ASP A 32 -5.659 0.426 14.392 1.00 1.01 O ATOM 465 OD2 ASP A 32 -6.363 2.320 15.255 1.00 1.17 O ATOM 0 H ASP A 32 -2.966 -0.208 13.406 1.00 0.61 H new ATOM 0 HA ASP A 32 -3.376 1.934 13.349 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -3.769 1.137 16.276 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -4.020 2.825 15.877 1.00 0.86 H new ATOM 470 N PRO A 33 -0.895 2.986 13.633 1.00 0.59 N ATOM 471 CA PRO A 33 0.171 4.013 13.766 1.00 0.66 C ATOM 472 C PRO A 33 0.030 5.262 12.833 1.00 0.83 C ATOM 473 O PRO A 33 0.944 5.569 12.057 1.00 1.45 O ATOM 474 CB PRO A 33 1.381 3.170 13.356 1.00 0.59 C ATOM 475 CG PRO A 33 0.857 2.341 12.202 1.00 0.57 C ATOM 476 CD PRO A 33 -0.648 2.144 12.447 1.00 0.49 C ATOM 0 HA PRO A 33 0.188 4.473 14.754 1.00 0.66 H new ATOM 0 HB2 PRO A 33 2.222 3.794 13.053 1.00 0.59 H new ATOM 0 HB3 PRO A 33 1.730 2.542 14.176 1.00 0.59 H new ATOM 0 HG2 PRO A 33 1.032 2.846 11.252 1.00 0.57 H new ATOM 0 HG3 PRO A 33 1.370 1.381 12.151 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -1.243 2.464 11.592 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -0.895 1.099 12.634 1.00 0.49 H new ATOM 484 N LEU A 34 -1.108 5.974 12.916 1.00 0.72 N ATOM 485 CA LEU A 34 -1.340 7.160 12.071 1.00 0.91 C ATOM 486 C LEU A 34 -2.005 8.338 12.841 1.00 1.43 C ATOM 487 O LEU A 34 -1.354 9.368 13.042 1.00 1.91 O ATOM 488 CB LEU A 34 -2.145 6.730 10.811 1.00 1.02 C ATOM 489 CG LEU A 34 -2.504 7.822 9.778 1.00 0.88 C ATOM 490 CD1 LEU A 34 -2.010 7.432 8.396 1.00 1.67 C ATOM 491 CD2 LEU A 34 -4.005 8.074 9.713 1.00 1.33 C ATOM 0 H LEU A 34 -1.874 5.753 13.552 1.00 0.72 H new ATOM 0 HA LEU A 34 -0.375 7.557 11.755 1.00 0.91 H new ATOM 0 HB2 LEU A 34 -1.574 5.957 10.297 1.00 1.02 H new ATOM 0 HB3 LEU A 34 -3.074 6.269 11.148 1.00 1.02 H new ATOM 0 HG LEU A 34 -2.013 8.739 10.105 1.00 0.88 H new ATOM 0 HD11 LEU A 34 -2.272 8.213 7.682 1.00 1.67 H new ATOM 0 HD12 LEU A 34 -0.927 7.309 8.418 1.00 1.67 H new ATOM 0 HD13 LEU A 34 -2.476 6.494 8.094 1.00 1.67 H new ATOM 0 HD21 LEU A 34 -4.212 8.849 8.975 1.00 1.33 H new ATOM 0 HD22 LEU A 34 -4.516 7.155 9.428 1.00 1.33 H new ATOM 0 HD23 LEU A 34 -4.362 8.399 10.690 1.00 1.33 H new ATOM 503 N GLU A 35 -3.291 8.199 13.271 1.00 1.77 N ATOM 504 CA GLU A 35 -4.001 9.292 13.999 1.00 2.54 C ATOM 505 C GLU A 35 -4.009 9.090 15.534 1.00 2.66 C ATOM 506 O GLU A 35 -4.915 8.466 16.099 1.00 3.33 O ATOM 507 CB GLU A 35 -5.452 9.474 13.466 1.00 3.34 C ATOM 508 CG GLU A 35 -6.320 8.202 13.466 1.00 3.49 C ATOM 509 CD GLU A 35 -7.806 8.517 13.430 1.00 4.38 C ATOM 510 OE1 GLU A 35 -8.219 9.338 12.583 1.00 4.80 O ATOM 511 OE2 GLU A 35 -8.554 7.942 14.246 1.00 4.84 O ATOM 0 H GLU A 35 -3.849 7.357 13.130 1.00 1.77 H new ATOM 0 HA GLU A 35 -3.437 10.203 13.802 1.00 2.54 H new ATOM 0 HB2 GLU A 35 -5.950 10.233 14.069 1.00 3.34 H new ATOM 0 HB3 GLU A 35 -5.401 9.859 12.447 1.00 3.34 H new ATOM 0 HG2 GLU A 35 -6.060 7.588 12.604 1.00 3.49 H new ATOM 0 HG3 GLU A 35 -6.097 7.613 14.356 1.00 3.49 H new ATOM 518 N GLY A 36 -2.961 9.625 16.195 1.00 2.22 N ATOM 519 CA GLY A 36 -2.810 9.508 17.659 1.00 2.37 C ATOM 520 C GLY A 36 -1.833 8.402 18.116 1.00 1.99 C ATOM 521 O GLY A 36 -1.216 8.519 19.177 1.00 2.30 O ATOM 0 H GLY A 36 -2.209 10.141 15.738 1.00 2.22 H new ATOM 0 HA2 GLY A 36 -2.467 10.464 18.054 1.00 2.37 H new ATOM 0 HA3 GLY A 36 -3.789 9.315 18.098 1.00 2.37 H new ATOM 525 N ARG A 37 -1.722 7.314 17.288 1.00 1.73 N ATOM 526 CA ARG A 37 -0.846 6.109 17.502 1.00 2.21 C ATOM 527 C ARG A 37 -1.432 5.035 18.484 1.00 2.05 C ATOM 528 O ARG A 37 -0.777 4.024 18.756 1.00 2.64 O ATOM 529 CB ARG A 37 0.608 6.485 17.909 1.00 3.16 C ATOM 530 CG ARG A 37 1.282 7.584 17.040 1.00 3.40 C ATOM 531 CD ARG A 37 1.543 7.159 15.580 1.00 3.20 C ATOM 532 NE ARG A 37 2.399 8.130 14.897 1.00 3.69 N ATOM 533 CZ ARG A 37 3.198 7.840 13.869 1.00 3.94 C ATOM 534 NH1 ARG A 37 3.260 6.606 13.385 1.00 3.94 N ATOM 535 NH2 ARG A 37 3.942 8.793 13.324 1.00 4.50 N ATOM 0 H ARG A 37 -2.258 7.248 16.423 1.00 1.73 H new ATOM 0 HA ARG A 37 -0.818 5.638 16.520 1.00 2.21 H new ATOM 0 HB2 ARG A 37 0.602 6.819 18.946 1.00 3.16 H new ATOM 0 HB3 ARG A 37 1.223 5.586 17.868 1.00 3.16 H new ATOM 0 HG2 ARG A 37 0.650 8.472 17.041 1.00 3.40 H new ATOM 0 HG3 ARG A 37 2.229 7.866 17.500 1.00 3.40 H new ATOM 0 HD2 ARG A 37 2.015 6.177 15.562 1.00 3.20 H new ATOM 0 HD3 ARG A 37 0.595 7.067 15.049 1.00 3.20 H new ATOM 0 HE ARG A 37 2.384 9.094 15.230 1.00 3.69 H new ATOM 0 HH11 ARG A 37 2.693 5.867 13.799 1.00 3.94 H new ATOM 0 HH12 ARG A 37 3.875 6.397 12.599 1.00 3.94 H new ATOM 0 HH21 ARG A 37 3.902 9.744 13.691 1.00 4.50 H new ATOM 0 HH22 ARG A 37 4.554 8.575 12.538 1.00 4.50 H new ATOM 549 N VAL A 38 -2.670 5.263 18.989 1.00 1.67 N ATOM 550 CA VAL A 38 -3.380 4.326 19.910 1.00 1.61 C ATOM 551 C VAL A 38 -4.906 4.371 19.632 1.00 1.73 C ATOM 552 O VAL A 38 -5.547 5.415 19.814 1.00 2.44 O ATOM 553 CB VAL A 38 -3.125 4.532 21.491 1.00 2.08 C ATOM 554 CG1 VAL A 38 -2.017 3.592 22.007 1.00 2.70 C ATOM 555 CG2 VAL A 38 -2.792 5.990 21.947 1.00 2.63 C ATOM 0 H VAL A 38 -3.209 6.101 18.772 1.00 1.67 H new ATOM 0 HA VAL A 38 -2.945 3.353 19.682 1.00 1.61 H new ATOM 0 HB VAL A 38 -4.092 4.288 21.932 1.00 2.08 H new ATOM 0 HG11 VAL A 38 -1.869 3.755 23.075 1.00 2.70 H new ATOM 0 HG12 VAL A 38 -2.310 2.556 21.835 1.00 2.70 H new ATOM 0 HG13 VAL A 38 -1.088 3.799 21.476 1.00 2.70 H new ATOM 0 HG21 VAL A 38 -2.641 6.008 23.026 1.00 2.63 H new ATOM 0 HG22 VAL A 38 -1.884 6.329 21.448 1.00 2.63 H new ATOM 0 HG23 VAL A 38 -3.618 6.651 21.685 1.00 2.63 H new ATOM 565 N GLY A 39 -5.471 3.233 19.200 1.00 1.64 N ATOM 566 CA GLY A 39 -6.904 3.174 18.902 1.00 1.95 C ATOM 567 C GLY A 39 -7.486 1.762 18.872 1.00 1.52 C ATOM 568 O GLY A 39 -7.139 0.911 19.702 1.00 1.67 O ATOM 0 H GLY A 39 -4.966 2.359 19.052 1.00 1.64 H new ATOM 0 HA2 GLY A 39 -7.442 3.760 19.648 1.00 1.95 H new ATOM 0 HA3 GLY A 39 -7.081 3.647 17.936 1.00 1.95 H new ATOM 572 N ARG A 40 -8.397 1.529 17.910 1.00 1.49 N ATOM 573 CA ARG A 40 -9.074 0.224 17.747 1.00 1.54 C ATOM 574 C ARG A 40 -9.236 -0.189 16.259 1.00 1.40 C ATOM 575 O ARG A 40 -8.796 0.508 15.335 1.00 1.40 O ATOM 576 CB ARG A 40 -10.469 0.271 18.424 1.00 2.19 C ATOM 577 CG ARG A 40 -10.447 0.201 19.968 1.00 2.54 C ATOM 578 CD ARG A 40 -11.860 0.237 20.581 1.00 3.29 C ATOM 579 NE ARG A 40 -12.655 -0.930 20.195 1.00 3.83 N ATOM 580 CZ ARG A 40 -13.912 -1.130 20.583 1.00 4.62 C ATOM 581 NH1 ARG A 40 -14.515 -0.252 21.374 1.00 4.94 N ATOM 582 NH2 ARG A 40 -14.566 -2.212 20.182 1.00 5.34 N ATOM 0 H ARG A 40 -8.685 2.231 17.228 1.00 1.49 H new ATOM 0 HA ARG A 40 -8.442 -0.525 18.224 1.00 1.54 H new ATOM 0 HB2 ARG A 40 -10.971 1.191 18.124 1.00 2.19 H new ATOM 0 HB3 ARG A 40 -11.068 -0.557 18.046 1.00 2.19 H new ATOM 0 HG2 ARG A 40 -9.943 -0.714 20.280 1.00 2.54 H new ATOM 0 HG3 ARG A 40 -9.864 1.035 20.358 1.00 2.54 H new ATOM 0 HD2 ARG A 40 -11.783 0.280 21.667 1.00 3.29 H new ATOM 0 HD3 ARG A 40 -12.371 1.145 20.262 1.00 3.29 H new ATOM 0 HE ARG A 40 -12.220 -1.630 19.594 1.00 3.83 H new ATOM 0 HH11 ARG A 40 -14.015 0.580 21.687 1.00 4.94 H new ATOM 0 HH12 ARG A 40 -15.479 -0.409 21.669 1.00 4.94 H new ATOM 0 HH21 ARG A 40 -14.105 -2.891 19.576 1.00 5.34 H new ATOM 0 HH22 ARG A 40 -15.530 -2.365 20.480 1.00 5.34 H new ATOM 596 N ALA A 41 -9.894 -1.362 16.049 1.00 1.35 N ATOM 597 CA ALA A 41 -10.165 -1.941 14.705 1.00 1.29 C ATOM 598 C ALA A 41 -11.609 -1.627 14.219 1.00 1.31 C ATOM 599 O ALA A 41 -12.602 -1.810 14.948 1.00 1.64 O ATOM 600 CB ALA A 41 -9.924 -3.472 14.745 1.00 1.35 C ATOM 0 H ALA A 41 -10.253 -1.935 16.813 1.00 1.35 H new ATOM 0 HA ALA A 41 -9.481 -1.482 13.991 1.00 1.29 H new ATOM 0 HB1 ALA A 41 -10.122 -3.897 13.761 1.00 1.35 H new ATOM 0 HB2 ALA A 41 -8.889 -3.670 15.024 1.00 1.35 H new ATOM 0 HB3 ALA A 41 -10.591 -3.926 15.478 1.00 1.35 H new ATOM 606 N SER A 42 -11.698 -1.114 12.979 1.00 1.13 N ATOM 607 CA SER A 42 -12.983 -0.765 12.353 1.00 1.15 C ATOM 608 C SER A 42 -13.134 -1.442 10.986 1.00 1.10 C ATOM 609 O SER A 42 -12.299 -1.270 10.097 1.00 1.57 O ATOM 610 CB SER A 42 -13.114 0.758 12.202 1.00 1.23 C ATOM 611 OG SER A 42 -13.541 1.364 13.412 1.00 1.43 O ATOM 0 H SER A 42 -10.887 -0.931 12.388 1.00 1.13 H new ATOM 0 HA SER A 42 -13.779 -1.126 13.005 1.00 1.15 H new ATOM 0 HB2 SER A 42 -12.155 1.179 11.901 1.00 1.23 H new ATOM 0 HB3 SER A 42 -13.825 0.987 11.408 1.00 1.23 H new ATOM 0 HG SER A 42 -13.613 2.333 13.285 1.00 1.43 H new ATOM 617 N ASP A 43 -14.212 -2.221 10.834 1.00 0.99 N ATOM 618 CA ASP A 43 -14.493 -2.948 9.585 1.00 0.98 C ATOM 619 C ASP A 43 -15.952 -2.750 9.134 1.00 1.13 C ATOM 620 O ASP A 43 -16.886 -3.275 9.752 1.00 1.62 O ATOM 621 CB ASP A 43 -14.183 -4.442 9.750 1.00 1.01 C ATOM 622 CG ASP A 43 -12.852 -4.838 9.125 1.00 1.65 C ATOM 623 OD1 ASP A 43 -12.780 -4.905 7.880 1.00 2.33 O ATOM 624 OD2 ASP A 43 -11.886 -5.072 9.882 1.00 1.80 O ATOM 0 H ASP A 43 -14.909 -2.366 11.564 1.00 0.99 H new ATOM 0 HA ASP A 43 -13.845 -2.538 8.810 1.00 0.98 H new ATOM 0 HB2 ASP A 43 -14.170 -4.691 10.811 1.00 1.01 H new ATOM 0 HB3 ASP A 43 -14.982 -5.027 9.295 1.00 1.01 H new ATOM 629 N TYR A 44 -16.128 -1.975 8.040 1.00 1.26 N ATOM 630 CA TYR A 44 -17.464 -1.698 7.454 1.00 1.48 C ATOM 631 C TYR A 44 -17.655 -2.505 6.148 1.00 1.68 C ATOM 632 O TYR A 44 -17.637 -1.963 5.037 1.00 2.40 O ATOM 633 CB TYR A 44 -17.630 -0.187 7.187 1.00 1.58 C ATOM 634 CG TYR A 44 -17.673 0.676 8.457 1.00 1.67 C ATOM 635 CD1 TYR A 44 -18.848 0.816 9.209 1.00 1.93 C ATOM 636 CD2 TYR A 44 -16.533 1.353 8.904 1.00 2.02 C ATOM 637 CE1 TYR A 44 -18.875 1.597 10.354 1.00 2.32 C ATOM 638 CE2 TYR A 44 -16.565 2.133 10.049 1.00 2.50 C ATOM 639 CZ TYR A 44 -17.767 2.242 10.770 1.00 2.56 C ATOM 640 OH TYR A 44 -17.765 3.024 11.903 1.00 3.16 O ATOM 0 H TYR A 44 -15.359 -1.527 7.541 1.00 1.26 H new ATOM 0 HA TYR A 44 -18.229 -2.008 8.166 1.00 1.48 H new ATOM 0 HB2 TYR A 44 -16.806 0.152 6.559 1.00 1.58 H new ATOM 0 HB3 TYR A 44 -18.548 -0.028 6.622 1.00 1.58 H new ATOM 0 HD1 TYR A 44 -19.746 0.307 8.891 1.00 1.93 H new ATOM 0 HD2 TYR A 44 -15.612 1.266 8.347 1.00 2.02 H new ATOM 0 HE1 TYR A 44 -19.792 1.689 10.918 1.00 2.32 H new ATOM 0 HE2 TYR A 44 -15.678 2.651 10.383 1.00 2.50 H new ATOM 0 HH TYR A 44 -16.871 3.404 12.037 1.00 3.16 H new ATOM 650 N GLY A 45 -17.833 -3.827 6.332 1.00 1.41 N ATOM 651 CA GLY A 45 -17.976 -4.773 5.228 1.00 1.52 C ATOM 652 C GLY A 45 -16.858 -5.814 5.260 1.00 1.29 C ATOM 653 O GLY A 45 -15.919 -5.746 4.463 1.00 1.22 O ATOM 0 H GLY A 45 -17.881 -4.261 7.254 1.00 1.41 H new ATOM 0 HA2 GLY A 45 -18.944 -5.270 5.291 1.00 1.52 H new ATOM 0 HA3 GLY A 45 -17.954 -4.238 4.279 1.00 1.52 H new ATOM 657 N MET A 46 -16.971 -6.784 6.196 1.00 1.26 N ATOM 658 CA MET A 46 -15.945 -7.840 6.397 1.00 1.14 C ATOM 659 C MET A 46 -16.169 -9.162 5.603 1.00 1.13 C ATOM 660 O MET A 46 -15.357 -10.086 5.717 1.00 1.13 O ATOM 661 CB MET A 46 -15.836 -8.159 7.902 1.00 1.28 C ATOM 662 CG MET A 46 -14.404 -8.156 8.459 1.00 1.04 C ATOM 663 SD MET A 46 -14.301 -8.851 10.122 1.00 1.58 S ATOM 664 CE MET A 46 -12.531 -8.823 10.405 1.00 1.67 C ATOM 0 H MET A 46 -17.767 -6.859 6.829 1.00 1.26 H new ATOM 0 HA MET A 46 -15.021 -7.423 5.996 1.00 1.14 H new ATOM 0 HB2 MET A 46 -16.428 -7.432 8.457 1.00 1.28 H new ATOM 0 HB3 MET A 46 -16.280 -9.138 8.085 1.00 1.28 H new ATOM 0 HG2 MET A 46 -13.758 -8.726 7.791 1.00 1.04 H new ATOM 0 HG3 MET A 46 -14.026 -7.134 8.473 1.00 1.04 H new ATOM 0 HE1 MET A 46 -12.314 -9.224 11.395 1.00 1.67 H new ATOM 0 HE2 MET A 46 -12.032 -9.431 9.650 1.00 1.67 H new ATOM 0 HE3 MET A 46 -12.169 -7.797 10.342 1.00 1.67 H new ATOM 674 N LYS A 47 -17.253 -9.249 4.801 1.00 1.20 N ATOM 675 CA LYS A 47 -17.537 -10.453 3.996 1.00 1.24 C ATOM 676 C LYS A 47 -17.523 -10.153 2.466 1.00 1.33 C ATOM 677 O LYS A 47 -18.406 -10.579 1.714 1.00 1.68 O ATOM 678 CB LYS A 47 -18.873 -11.111 4.453 1.00 1.34 C ATOM 679 CG LYS A 47 -20.148 -10.234 4.289 1.00 2.03 C ATOM 680 CD LYS A 47 -20.392 -9.286 5.488 1.00 2.90 C ATOM 681 CE LYS A 47 -21.580 -8.340 5.253 1.00 3.65 C ATOM 682 NZ LYS A 47 -21.841 -7.484 6.443 1.00 4.18 N ATOM 0 H LYS A 47 -17.941 -8.503 4.695 1.00 1.20 H new ATOM 0 HA LYS A 47 -16.734 -11.170 4.170 1.00 1.24 H new ATOM 0 HB2 LYS A 47 -19.014 -12.033 3.889 1.00 1.34 H new ATOM 0 HB3 LYS A 47 -18.779 -11.390 5.502 1.00 1.34 H new ATOM 0 HG2 LYS A 47 -20.060 -9.642 3.378 1.00 2.03 H new ATOM 0 HG3 LYS A 47 -21.015 -10.883 4.165 1.00 2.03 H new ATOM 0 HD2 LYS A 47 -20.574 -9.878 6.385 1.00 2.90 H new ATOM 0 HD3 LYS A 47 -19.493 -8.698 5.672 1.00 2.90 H new ATOM 0 HE2 LYS A 47 -21.378 -7.709 4.387 1.00 3.65 H new ATOM 0 HE3 LYS A 47 -22.471 -8.924 5.021 1.00 3.65 H new ATOM 0 HZ1 LYS A 47 -22.649 -6.858 6.250 1.00 4.18 H new ATOM 0 HZ2 LYS A 47 -22.058 -8.086 7.263 1.00 4.18 H new ATOM 0 HZ3 LYS A 47 -20.999 -6.909 6.649 1.00 4.18 H new ATOM 696 N LEU A 48 -16.470 -9.419 2.038 1.00 1.18 N ATOM 697 CA LEU A 48 -16.239 -9.028 0.638 1.00 1.29 C ATOM 698 C LEU A 48 -14.785 -9.399 0.261 1.00 1.00 C ATOM 699 O LEU A 48 -13.934 -8.511 0.133 1.00 1.21 O ATOM 700 CB LEU A 48 -16.448 -7.494 0.476 1.00 1.76 C ATOM 701 CG LEU A 48 -17.751 -6.963 -0.239 1.00 1.96 C ATOM 702 CD1 LEU A 48 -17.906 -7.489 -1.674 1.00 2.24 C ATOM 703 CD2 LEU A 48 -19.026 -7.255 0.563 1.00 2.63 C ATOM 0 H LEU A 48 -15.747 -9.078 2.672 1.00 1.18 H new ATOM 0 HA LEU A 48 -16.941 -9.547 -0.015 1.00 1.29 H new ATOM 0 HB2 LEU A 48 -16.418 -7.052 1.472 1.00 1.76 H new ATOM 0 HB3 LEU A 48 -15.591 -7.103 -0.072 1.00 1.76 H new ATOM 0 HG LEU A 48 -17.619 -5.882 -0.291 1.00 1.96 H new ATOM 0 HD11 LEU A 48 -18.820 -7.088 -2.112 1.00 2.24 H new ATOM 0 HD12 LEU A 48 -17.050 -7.175 -2.271 1.00 2.24 H new ATOM 0 HD13 LEU A 48 -17.958 -8.578 -1.659 1.00 2.24 H new ATOM 0 HD21 LEU A 48 -19.891 -6.868 0.025 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -19.133 -8.331 0.696 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -18.961 -6.773 1.539 1.00 2.63 H new ATOM 715 N PRO A 49 -14.466 -10.734 0.080 1.00 0.82 N ATOM 716 CA PRO A 49 -13.079 -11.235 -0.238 1.00 0.89 C ATOM 717 C PRO A 49 -12.493 -10.864 -1.619 1.00 0.75 C ATOM 718 O PRO A 49 -13.223 -10.530 -2.556 1.00 0.78 O ATOM 719 CB PRO A 49 -13.233 -12.773 -0.188 1.00 1.31 C ATOM 720 CG PRO A 49 -14.485 -13.009 0.599 1.00 1.37 C ATOM 721 CD PRO A 49 -15.406 -11.879 0.204 1.00 1.05 C ATOM 0 HA PRO A 49 -12.385 -10.777 0.467 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -13.311 -13.195 -1.190 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -12.372 -13.241 0.289 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -14.924 -13.978 0.363 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -14.286 -13.001 1.671 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -15.923 -12.084 -0.733 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -16.172 -11.696 0.957 1.00 1.05 H new ATOM 729 N ILE A 50 -11.147 -10.947 -1.702 1.00 0.67 N ATOM 730 CA ILE A 50 -10.389 -10.672 -2.935 1.00 0.60 C ATOM 731 C ILE A 50 -10.003 -12.034 -3.627 1.00 0.64 C ATOM 732 O ILE A 50 -9.565 -12.993 -2.980 1.00 0.69 O ATOM 733 CB ILE A 50 -9.153 -9.645 -2.607 1.00 0.57 C ATOM 734 CG1 ILE A 50 -9.624 -8.158 -2.678 1.00 0.54 C ATOM 735 CG2 ILE A 50 -7.891 -9.731 -3.526 1.00 0.59 C ATOM 736 CD1 ILE A 50 -10.042 -7.531 -1.373 1.00 0.59 C ATOM 0 H ILE A 50 -10.557 -11.208 -0.912 1.00 0.67 H new ATOM 0 HA ILE A 50 -10.989 -10.145 -3.676 1.00 0.60 H new ATOM 0 HB ILE A 50 -8.856 -9.970 -1.610 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -8.815 -7.562 -3.101 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -10.462 -8.097 -3.372 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -7.152 -8.999 -3.199 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -7.463 -10.731 -3.463 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -8.177 -9.523 -4.557 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -10.348 -6.499 -1.547 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -10.876 -8.091 -0.951 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -9.204 -7.548 -0.676 1.00 0.59 H new ATOM 748 N LEU A 51 -10.172 -12.048 -4.970 1.00 0.65 N ATOM 749 CA LEU A 51 -9.894 -13.224 -5.844 1.00 0.71 C ATOM 750 C LEU A 51 -8.397 -13.449 -6.196 1.00 0.78 C ATOM 751 O LEU A 51 -8.026 -14.542 -6.631 1.00 1.26 O ATOM 752 CB LEU A 51 -10.672 -13.051 -7.155 1.00 0.74 C ATOM 753 CG LEU A 51 -12.131 -13.587 -7.192 1.00 0.86 C ATOM 754 CD1 LEU A 51 -12.987 -12.767 -8.155 1.00 1.22 C ATOM 755 CD2 LEU A 51 -12.182 -15.066 -7.592 1.00 1.28 C ATOM 0 H LEU A 51 -10.509 -11.236 -5.488 1.00 0.65 H new ATOM 0 HA LEU A 51 -10.206 -14.098 -5.272 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -10.697 -11.988 -7.395 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -10.111 -13.544 -7.948 1.00 0.74 H new ATOM 0 HG LEU A 51 -12.532 -13.490 -6.183 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -14.003 -13.161 -8.164 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -13.004 -11.726 -7.831 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -12.566 -12.828 -9.158 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -13.218 -15.403 -7.606 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -11.746 -15.190 -8.583 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -11.618 -15.658 -6.871 1.00 1.28 H new ATOM 767 N ARG A 52 -7.548 -12.413 -6.003 1.00 0.58 N ATOM 768 CA ARG A 52 -6.105 -12.514 -6.276 1.00 0.58 C ATOM 769 C ARG A 52 -5.238 -12.712 -4.986 1.00 0.57 C ATOM 770 O ARG A 52 -4.005 -12.687 -5.062 1.00 0.65 O ATOM 771 CB ARG A 52 -5.621 -11.256 -7.034 1.00 0.57 C ATOM 772 CG ARG A 52 -5.212 -11.476 -8.516 1.00 0.70 C ATOM 773 CD ARG A 52 -6.414 -11.729 -9.444 1.00 0.64 C ATOM 774 NE ARG A 52 -5.986 -12.074 -10.799 1.00 0.87 N ATOM 775 CZ ARG A 52 -6.801 -12.101 -11.850 1.00 1.19 C ATOM 776 NH1 ARG A 52 -8.082 -11.783 -11.713 1.00 1.34 N ATOM 777 NH2 ARG A 52 -6.334 -12.442 -13.043 1.00 1.51 N ATOM 0 H ARG A 52 -7.843 -11.499 -5.659 1.00 0.58 H new ATOM 0 HA ARG A 52 -5.971 -13.406 -6.888 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -6.414 -10.509 -7.003 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -4.768 -10.838 -6.499 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -4.666 -10.601 -8.869 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -4.530 -12.324 -8.576 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -7.024 -12.536 -9.038 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -7.043 -10.839 -9.476 1.00 0.64 H new ATOM 0 HE ARG A 52 -5.004 -12.308 -10.947 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -8.446 -11.516 -10.798 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -8.702 -11.805 -12.522 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -5.349 -12.684 -13.155 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -6.959 -12.463 -13.849 1.00 1.51 H new ATOM 791 N SER A 53 -5.892 -12.922 -3.812 1.00 0.53 N ATOM 792 CA SER A 53 -5.200 -13.117 -2.528 1.00 0.54 C ATOM 793 C SER A 53 -5.470 -14.506 -1.860 1.00 0.57 C ATOM 794 O SER A 53 -6.172 -15.374 -2.394 1.00 0.67 O ATOM 795 CB SER A 53 -5.616 -11.960 -1.563 1.00 0.53 C ATOM 796 OG SER A 53 -7.007 -11.978 -1.224 1.00 1.09 O ATOM 0 H SER A 53 -6.909 -12.959 -3.739 1.00 0.53 H new ATOM 0 HA SER A 53 -4.129 -13.099 -2.730 1.00 0.54 H new ATOM 0 HB2 SER A 53 -5.026 -12.028 -0.649 1.00 0.53 H new ATOM 0 HB3 SER A 53 -5.375 -11.004 -2.028 1.00 0.53 H new ATOM 0 HG SER A 53 -7.123 -12.385 -0.340 1.00 1.09 H new ATOM 802 N ASN A 54 -4.867 -14.662 -0.662 1.00 0.59 N ATOM 803 CA ASN A 54 -4.997 -15.851 0.228 1.00 0.64 C ATOM 804 C ASN A 54 -6.083 -15.566 1.335 1.00 0.63 C ATOM 805 O ASN A 54 -6.748 -14.534 1.261 1.00 0.66 O ATOM 806 CB ASN A 54 -3.612 -16.056 0.887 1.00 0.80 C ATOM 807 CG ASN A 54 -3.039 -17.467 0.814 1.00 0.85 C ATOM 808 OD1 ASN A 54 -3.289 -18.220 -0.129 1.00 1.27 O ATOM 809 ND2 ASN A 54 -2.254 -17.814 1.833 1.00 1.12 N ATOM 0 H ASN A 54 -4.256 -13.946 -0.269 1.00 0.59 H new ATOM 0 HA ASN A 54 -5.304 -16.737 -0.328 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -2.904 -15.373 0.418 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -3.685 -15.769 1.936 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -1.828 -18.741 1.856 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -2.079 -17.153 2.590 1.00 1.12 H new ATOM 816 N PRO A 55 -6.356 -16.477 2.353 1.00 0.71 N ATOM 817 CA PRO A 55 -7.304 -16.171 3.495 1.00 0.75 C ATOM 818 C PRO A 55 -6.685 -15.143 4.488 1.00 0.74 C ATOM 819 O PRO A 55 -7.300 -14.117 4.866 1.00 0.80 O ATOM 820 CB PRO A 55 -7.498 -17.540 4.190 1.00 0.89 C ATOM 821 CG PRO A 55 -7.015 -18.550 3.184 1.00 0.95 C ATOM 822 CD PRO A 55 -5.873 -17.869 2.453 1.00 0.83 C ATOM 0 HA PRO A 55 -8.237 -15.727 3.149 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -6.926 -17.599 5.116 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -8.543 -17.708 4.450 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -6.679 -19.464 3.674 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -7.811 -18.831 2.495 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -4.937 -17.937 3.007 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -5.696 -18.310 1.472 1.00 0.83 H new ATOM 830 N GLU A 56 -5.382 -15.407 4.784 1.00 0.71 N ATOM 831 CA GLU A 56 -4.507 -14.574 5.657 1.00 0.73 C ATOM 832 C GLU A 56 -4.167 -13.211 4.993 1.00 0.65 C ATOM 833 O GLU A 56 -4.362 -12.132 5.582 1.00 0.67 O ATOM 834 CB GLU A 56 -3.194 -15.350 5.929 1.00 0.80 C ATOM 835 CG GLU A 56 -3.317 -16.513 6.933 1.00 0.97 C ATOM 836 CD GLU A 56 -3.537 -16.048 8.365 1.00 1.48 C ATOM 837 OE1 GLU A 56 -2.539 -15.766 9.060 1.00 1.63 O ATOM 838 OE2 GLU A 56 -4.710 -15.967 8.789 1.00 2.04 O ATOM 0 H GLU A 56 -4.899 -16.225 4.413 1.00 0.71 H new ATOM 0 HA GLU A 56 -5.039 -14.371 6.587 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -2.821 -15.745 4.984 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -2.446 -14.649 6.299 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.146 -17.155 6.635 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -2.412 -17.119 6.890 1.00 0.97 H new ATOM 845 N ASP A 57 -3.755 -13.281 3.700 1.00 0.62 N ATOM 846 CA ASP A 57 -3.436 -12.093 2.882 1.00 0.58 C ATOM 847 C ASP A 57 -4.735 -11.330 2.395 1.00 0.52 C ATOM 848 O ASP A 57 -4.642 -10.205 1.927 1.00 0.53 O ATOM 849 CB ASP A 57 -2.530 -12.545 1.723 1.00 0.60 C ATOM 850 CG ASP A 57 -1.696 -11.443 1.051 1.00 1.08 C ATOM 851 OD1 ASP A 57 -1.245 -10.521 1.761 1.00 1.62 O ATOM 852 OD2 ASP A 57 -1.510 -11.508 -0.183 1.00 1.62 O ATOM 0 H ASP A 57 -3.637 -14.163 3.201 1.00 0.62 H new ATOM 0 HA ASP A 57 -2.903 -11.359 3.486 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -1.850 -13.311 2.097 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -3.154 -13.016 0.963 1.00 0.60 H new ATOM 857 N GLN A 58 -5.944 -11.974 2.550 1.00 0.52 N ATOM 858 CA GLN A 58 -7.287 -11.371 2.289 1.00 0.51 C ATOM 859 C GLN A 58 -7.563 -10.260 3.345 1.00 0.50 C ATOM 860 O GLN A 58 -7.984 -9.161 3.008 1.00 0.49 O ATOM 861 CB GLN A 58 -8.365 -12.464 2.407 1.00 0.60 C ATOM 862 CG GLN A 58 -9.734 -12.118 1.812 1.00 0.84 C ATOM 863 CD GLN A 58 -10.799 -13.100 2.259 1.00 0.91 C ATOM 864 OE1 GLN A 58 -11.016 -14.131 1.621 1.00 1.16 O ATOM 865 NE2 GLN A 58 -11.469 -12.786 3.362 1.00 1.77 N ATOM 0 H GLN A 58 -6.004 -12.942 2.865 1.00 0.52 H new ATOM 0 HA GLN A 58 -7.310 -10.940 1.288 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -7.996 -13.366 1.919 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -8.499 -12.704 3.462 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -10.018 -11.110 2.113 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -9.670 -12.120 0.724 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -11.256 -11.921 3.859 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -12.196 -13.410 3.712 1.00 1.77 H new ATOM 874 N VAL A 59 -7.219 -10.579 4.637 1.00 0.52 N ATOM 875 CA VAL A 59 -7.289 -9.607 5.811 1.00 0.54 C ATOM 876 C VAL A 59 -6.260 -8.429 5.594 1.00 0.52 C ATOM 877 O VAL A 59 -6.611 -7.268 5.782 1.00 0.55 O ATOM 878 CB VAL A 59 -7.010 -10.326 7.238 1.00 0.55 C ATOM 879 CG1 VAL A 59 -7.097 -9.386 8.479 1.00 0.80 C ATOM 880 CG2 VAL A 59 -7.976 -11.476 7.510 1.00 0.81 C ATOM 0 H VAL A 59 -6.887 -11.506 4.904 1.00 0.52 H new ATOM 0 HA VAL A 59 -8.306 -9.216 5.843 1.00 0.54 H new ATOM 0 HB VAL A 59 -5.984 -10.675 7.125 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -6.895 -9.959 9.384 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -6.361 -8.588 8.383 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -8.096 -8.953 8.538 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -7.746 -11.923 8.477 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -8.998 -11.098 7.518 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -7.874 -12.229 6.729 1.00 0.81 H new ATOM 890 N LEU A 60 -5.006 -8.765 5.175 1.00 0.49 N ATOM 891 CA LEU A 60 -3.945 -7.751 4.888 1.00 0.48 C ATOM 892 C LEU A 60 -4.107 -7.022 3.506 1.00 0.49 C ATOM 893 O LEU A 60 -3.332 -6.139 3.191 1.00 0.65 O ATOM 894 CB LEU A 60 -2.576 -8.457 4.932 1.00 0.52 C ATOM 895 CG LEU A 60 -1.288 -7.572 4.990 1.00 0.71 C ATOM 896 CD1 LEU A 60 -0.996 -7.020 6.383 1.00 1.15 C ATOM 897 CD2 LEU A 60 -0.049 -8.316 4.492 1.00 0.90 C ATOM 0 H LEU A 60 -4.705 -9.728 5.028 1.00 0.49 H new ATOM 0 HA LEU A 60 -4.032 -6.975 5.649 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -2.568 -9.113 5.802 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -2.502 -9.095 4.051 1.00 0.52 H new ATOM 0 HG LEU A 60 -1.504 -6.736 4.325 1.00 0.71 H new ATOM 0 HD11 LEU A 60 -0.090 -6.415 6.352 1.00 1.15 H new ATOM 0 HD12 LEU A 60 -1.832 -6.404 6.713 1.00 1.15 H new ATOM 0 HD13 LEU A 60 -0.857 -7.846 7.080 1.00 1.15 H new ATOM 0 HD21 LEU A 60 0.819 -7.659 4.552 1.00 0.90 H new ATOM 0 HD22 LEU A 60 0.120 -9.197 5.111 1.00 0.90 H new ATOM 0 HD23 LEU A 60 -0.200 -8.623 3.457 1.00 0.90 H new ATOM 909 N TYR A 61 -5.087 -7.450 2.705 1.00 0.44 N ATOM 910 CA TYR A 61 -5.414 -6.856 1.387 1.00 0.45 C ATOM 911 C TYR A 61 -6.911 -6.385 1.297 1.00 0.47 C ATOM 912 O TYR A 61 -7.375 -6.029 0.212 1.00 0.52 O ATOM 913 CB TYR A 61 -5.147 -7.903 0.274 1.00 0.44 C ATOM 914 CG TYR A 61 -3.681 -8.092 -0.201 1.00 0.46 C ATOM 915 CD1 TYR A 61 -2.576 -7.784 0.607 1.00 0.70 C ATOM 916 CD2 TYR A 61 -3.411 -8.595 -1.483 1.00 0.76 C ATOM 917 CE1 TYR A 61 -1.278 -7.964 0.153 1.00 0.72 C ATOM 918 CE2 TYR A 61 -2.112 -8.773 -1.932 1.00 0.92 C ATOM 919 CZ TYR A 61 -1.055 -8.455 -1.113 1.00 0.72 C ATOM 920 OH TYR A 61 0.233 -8.631 -1.560 1.00 0.88 O ATOM 0 H TYR A 61 -5.692 -8.233 2.951 1.00 0.44 H new ATOM 0 HA TYR A 61 -4.781 -5.978 1.258 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -5.513 -8.868 0.626 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -5.748 -7.631 -0.594 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -2.740 -7.399 1.603 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -4.234 -8.849 -2.134 1.00 0.76 H new ATOM 0 HE1 TYR A 61 -0.443 -7.719 0.793 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.931 -9.161 -2.924 1.00 0.92 H new ATOM 0 HH TYR A 61 0.217 -8.986 -2.473 1.00 0.88 H new ATOM 930 N GLN A 62 -7.648 -6.364 2.442 1.00 0.50 N ATOM 931 CA GLN A 62 -9.108 -5.996 2.454 1.00 0.57 C ATOM 932 C GLN A 62 -9.576 -5.043 3.596 1.00 0.70 C ATOM 933 O GLN A 62 -10.542 -4.301 3.394 1.00 1.33 O ATOM 934 CB GLN A 62 -9.973 -7.283 2.546 1.00 0.57 C ATOM 935 CG GLN A 62 -11.498 -7.071 2.362 1.00 0.75 C ATOM 936 CD GLN A 62 -12.335 -8.097 3.104 1.00 0.77 C ATOM 937 OE1 GLN A 62 -13.418 -7.788 3.599 1.00 1.26 O ATOM 938 NE2 GLN A 62 -11.848 -9.328 3.170 1.00 1.02 N ATOM 0 H GLN A 62 -7.269 -6.593 3.361 1.00 0.50 H new ATOM 0 HA GLN A 62 -9.242 -5.447 1.522 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -9.627 -7.988 1.790 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -9.802 -7.747 3.517 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -11.765 -6.073 2.710 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -11.739 -7.113 1.300 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -10.945 -9.543 2.746 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -12.376 -10.061 3.645 1.00 1.02 H new ATOM 947 N THR A 63 -8.917 -5.053 4.779 1.00 0.58 N ATOM 948 CA THR A 63 -9.345 -4.219 5.974 1.00 0.62 C ATOM 949 C THR A 63 -9.010 -2.683 5.838 1.00 0.76 C ATOM 950 O THR A 63 -7.887 -2.316 5.484 1.00 1.28 O ATOM 951 CB THR A 63 -8.777 -4.815 7.337 1.00 0.59 C ATOM 952 OG1 THR A 63 -7.350 -4.960 7.304 1.00 0.63 O ATOM 953 CG2 THR A 63 -9.407 -6.180 7.704 1.00 0.60 C ATOM 0 H THR A 63 -8.087 -5.621 4.951 1.00 0.58 H new ATOM 0 HA THR A 63 -10.433 -4.283 5.996 1.00 0.62 H new ATOM 0 HB THR A 63 -9.052 -4.089 8.102 1.00 0.59 H new ATOM 0 HG1 THR A 63 -7.114 -5.754 6.781 1.00 0.63 H new ATOM 0 HG21 THR A 63 -8.981 -6.537 8.642 1.00 0.60 H new ATOM 0 HG22 THR A 63 -10.485 -6.065 7.815 1.00 0.60 H new ATOM 0 HG23 THR A 63 -9.199 -6.901 6.914 1.00 0.60 H new ATOM 961 N GLU A 64 -10.021 -1.813 6.130 1.00 0.57 N ATOM 962 CA GLU A 64 -9.903 -0.319 5.992 1.00 0.60 C ATOM 963 C GLU A 64 -10.296 0.488 7.257 1.00 0.64 C ATOM 964 O GLU A 64 -11.230 0.131 7.974 1.00 0.69 O ATOM 965 CB GLU A 64 -10.825 0.182 4.854 1.00 0.67 C ATOM 966 CG GLU A 64 -12.215 -0.487 4.813 1.00 0.84 C ATOM 967 CD GLU A 64 -13.174 0.205 3.865 1.00 1.07 C ATOM 968 OE1 GLU A 64 -13.777 1.224 4.267 1.00 1.50 O ATOM 969 OE2 GLU A 64 -13.319 -0.267 2.719 1.00 1.53 O ATOM 0 H GLU A 64 -10.935 -2.118 6.465 1.00 0.57 H new ATOM 0 HA GLU A 64 -8.844 -0.149 5.796 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -10.957 1.259 4.959 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -10.327 0.013 3.899 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -12.103 -1.529 4.512 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -12.642 -0.489 5.816 1.00 0.84 H new ATOM 976 N ARG A 65 -9.576 1.617 7.483 1.00 0.74 N ATOM 977 CA ARG A 65 -9.843 2.551 8.618 1.00 0.91 C ATOM 978 C ARG A 65 -10.693 3.790 8.191 1.00 1.19 C ATOM 979 O ARG A 65 -11.036 3.964 7.013 1.00 2.12 O ATOM 980 CB ARG A 65 -8.517 3.069 9.236 1.00 0.98 C ATOM 981 CG ARG A 65 -7.735 2.056 10.103 1.00 0.90 C ATOM 982 CD ARG A 65 -6.669 2.728 10.985 1.00 0.96 C ATOM 983 NE ARG A 65 -7.263 3.656 11.945 1.00 1.63 N ATOM 984 CZ ARG A 65 -6.558 4.415 12.777 1.00 2.39 C ATOM 985 NH1 ARG A 65 -5.231 4.386 12.751 1.00 2.86 N ATOM 986 NH2 ARG A 65 -7.182 5.206 13.636 1.00 3.22 N ATOM 0 H ARG A 65 -8.798 1.908 6.890 1.00 0.74 H new ATOM 0 HA ARG A 65 -10.407 1.973 9.350 1.00 0.91 H new ATOM 0 HB2 ARG A 65 -7.868 3.403 8.427 1.00 0.98 H new ATOM 0 HB3 ARG A 65 -8.741 3.944 9.847 1.00 0.98 H new ATOM 0 HG2 ARG A 65 -8.434 1.511 10.737 1.00 0.90 H new ATOM 0 HG3 ARG A 65 -7.255 1.323 9.454 1.00 0.90 H new ATOM 0 HD2 ARG A 65 -6.106 1.963 11.520 1.00 0.96 H new ATOM 0 HD3 ARG A 65 -5.960 3.263 10.354 1.00 0.96 H new ATOM 0 HE ARG A 65 -8.280 3.725 11.978 1.00 1.63 H new ATOM 0 HH11 ARG A 65 -4.747 3.779 12.090 1.00 2.86 H new ATOM 0 HH12 ARG A 65 -4.695 4.971 13.392 1.00 2.86 H new ATOM 0 HH21 ARG A 65 -8.201 5.232 13.658 1.00 3.22 H new ATOM 0 HH22 ARG A 65 -6.643 5.790 14.276 1.00 3.22 H new ATOM 1000 N TYR A 66 -11.018 4.649 9.181 1.00 0.77 N ATOM 1001 CA TYR A 66 -11.812 5.874 8.956 1.00 0.92 C ATOM 1002 C TYR A 66 -11.066 7.124 9.479 1.00 1.10 C ATOM 1003 O TYR A 66 -10.673 7.181 10.652 1.00 1.80 O ATOM 1004 CB TYR A 66 -13.187 5.734 9.653 1.00 1.58 C ATOM 1005 CG TYR A 66 -14.203 6.841 9.317 1.00 1.83 C ATOM 1006 CD1 TYR A 66 -14.880 6.869 8.086 1.00 2.21 C ATOM 1007 CD2 TYR A 66 -14.486 7.856 10.234 1.00 2.35 C ATOM 1008 CE1 TYR A 66 -15.793 7.869 7.795 1.00 2.72 C ATOM 1009 CE2 TYR A 66 -15.402 8.854 9.937 1.00 2.90 C ATOM 1010 CZ TYR A 66 -16.046 8.846 8.689 1.00 2.96 C ATOM 1011 OH TYR A 66 -16.956 9.846 8.432 1.00 3.66 O ATOM 0 H TYR A 66 -10.739 4.513 10.153 1.00 0.77 H new ATOM 0 HA TYR A 66 -11.962 6.001 7.884 1.00 0.92 H new ATOM 0 HB2 TYR A 66 -13.619 4.771 9.381 1.00 1.58 H new ATOM 0 HB3 TYR A 66 -13.031 5.720 10.732 1.00 1.58 H new ATOM 0 HD1 TYR A 66 -14.685 6.098 7.355 1.00 2.21 H new ATOM 0 HD2 TYR A 66 -13.983 7.864 11.190 1.00 2.35 H new ATOM 0 HE1 TYR A 66 -16.306 7.866 6.845 1.00 2.72 H new ATOM 0 HE2 TYR A 66 -15.618 9.629 10.658 1.00 2.90 H new ATOM 0 HH TYR A 66 -16.999 10.455 9.199 1.00 3.66 H new ATOM 1021 N ASN A 67 -10.894 8.130 8.596 1.00 1.30 N ATOM 1022 CA ASN A 67 -10.191 9.378 8.960 1.00 1.97 C ATOM 1023 C ASN A 67 -10.975 10.645 8.518 1.00 1.59 C ATOM 1024 O ASN A 67 -11.976 10.984 9.160 1.00 1.69 O ATOM 1025 CB ASN A 67 -8.754 9.362 8.405 1.00 3.06 C ATOM 1026 CG ASN A 67 -7.721 8.970 9.447 1.00 3.99 C ATOM 1027 OD1 ASN A 67 -7.489 7.786 9.690 1.00 4.39 O ATOM 1028 ND2 ASN A 67 -7.095 9.964 10.066 1.00 4.70 N ATOM 0 H ASN A 67 -11.229 8.103 7.633 1.00 1.30 H new ATOM 0 HA ASN A 67 -10.133 9.426 10.047 1.00 1.97 H new ATOM 0 HB2 ASN A 67 -8.701 8.665 7.568 1.00 3.06 H new ATOM 0 HB3 ASN A 67 -8.510 10.350 8.013 1.00 3.06 H new ATOM 0 HD21 ASN A 67 -6.390 9.760 10.775 1.00 4.70 H new ATOM 0 HD22 ASN A 67 -7.319 10.931 9.833 1.00 4.70 H new ATOM 1035 N GLU A 68 -10.534 11.348 7.436 1.00 1.31 N ATOM 1036 CA GLU A 68 -11.225 12.574 6.977 1.00 1.11 C ATOM 1037 C GLU A 68 -10.823 13.013 5.545 1.00 0.91 C ATOM 1038 O GLU A 68 -11.578 12.780 4.597 1.00 1.18 O ATOM 1039 CB GLU A 68 -10.982 13.745 7.976 1.00 1.42 C ATOM 1040 CG GLU A 68 -12.062 14.847 7.967 1.00 1.26 C ATOM 1041 CD GLU A 68 -13.300 14.462 8.763 1.00 1.99 C ATOM 1042 OE1 GLU A 68 -13.287 14.634 10.000 1.00 2.25 O ATOM 1043 OE2 GLU A 68 -14.277 13.988 8.148 1.00 2.55 O ATOM 0 H GLU A 68 -9.719 11.088 6.880 1.00 1.31 H new ATOM 0 HA GLU A 68 -12.286 12.326 6.944 1.00 1.11 H new ATOM 0 HB2 GLU A 68 -10.912 13.334 8.983 1.00 1.42 H new ATOM 0 HB3 GLU A 68 -10.018 14.201 7.750 1.00 1.42 H new ATOM 0 HG2 GLU A 68 -11.642 15.765 8.378 1.00 1.26 H new ATOM 0 HG3 GLU A 68 -12.349 15.060 6.937 1.00 1.26 H new ATOM 1050 N ASP A 69 -9.626 13.646 5.394 1.00 0.76 N ATOM 1051 CA ASP A 69 -9.148 14.190 4.088 1.00 0.75 C ATOM 1052 C ASP A 69 -7.655 14.595 4.158 1.00 0.69 C ATOM 1053 O ASP A 69 -7.266 15.399 5.015 1.00 1.33 O ATOM 1054 CB ASP A 69 -10.022 15.414 3.569 1.00 1.17 C ATOM 1055 CG ASP A 69 -10.372 16.533 4.586 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -9.466 17.319 4.937 1.00 2.15 O ATOM 1057 OD2 ASP A 69 -11.544 16.609 5.009 1.00 2.06 O ATOM 0 H ASP A 69 -8.972 13.793 6.163 1.00 0.76 H new ATOM 0 HA ASP A 69 -9.263 13.381 3.367 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -9.493 15.873 2.734 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -10.956 15.015 3.174 1.00 1.17 H new ATOM 1062 N SER A 70 -6.818 14.029 3.228 1.00 0.72 N ATOM 1063 CA SER A 70 -5.332 14.297 3.128 1.00 0.57 C ATOM 1064 C SER A 70 -4.546 13.737 4.340 1.00 0.53 C ATOM 1065 O SER A 70 -4.287 14.454 5.314 1.00 0.57 O ATOM 1066 CB SER A 70 -5.065 15.811 2.932 1.00 0.70 C ATOM 1067 OG SER A 70 -3.821 16.057 2.284 1.00 0.77 O ATOM 0 H SER A 70 -7.151 13.372 2.523 1.00 0.72 H new ATOM 0 HA SER A 70 -4.965 13.764 2.251 1.00 0.57 H new ATOM 0 HB2 SER A 70 -5.872 16.248 2.344 1.00 0.70 H new ATOM 0 HB3 SER A 70 -5.072 16.308 3.902 1.00 0.70 H new ATOM 0 HG SER A 70 -3.692 17.023 2.178 1.00 0.77 H new ATOM 1073 N PHE A 71 -4.186 12.449 4.260 1.00 0.49 N ATOM 1074 CA PHE A 71 -3.471 11.785 5.366 1.00 0.47 C ATOM 1075 C PHE A 71 -2.440 10.755 4.869 1.00 0.33 C ATOM 1076 O PHE A 71 -2.534 10.236 3.742 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.464 11.160 6.407 1.00 0.66 C ATOM 1078 CG PHE A 71 -5.731 10.487 5.849 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -6.850 11.252 5.504 1.00 0.75 C ATOM 1080 CD2 PHE A 71 -5.818 9.100 5.704 1.00 0.73 C ATOM 1081 CE1 PHE A 71 -8.007 10.655 5.025 1.00 0.81 C ATOM 1082 CE2 PHE A 71 -6.982 8.504 5.229 1.00 0.78 C ATOM 1083 CZ PHE A 71 -8.075 9.285 4.887 1.00 0.67 C ATOM 0 H PHE A 71 -4.373 11.851 3.455 1.00 0.49 H new ATOM 0 HA PHE A 71 -2.906 12.562 5.881 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -3.918 10.421 6.994 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -4.774 11.947 7.094 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -6.813 12.326 5.612 1.00 0.75 H new ATOM 0 HD2 PHE A 71 -4.971 8.483 5.964 1.00 0.73 H new ATOM 0 HE1 PHE A 71 -8.857 11.266 4.759 1.00 0.81 H new ATOM 0 HE2 PHE A 71 -7.034 7.430 5.126 1.00 0.78 H new ATOM 0 HZ PHE A 71 -8.977 8.822 4.514 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.442 10.469 5.727 1.00 0.31 N ATOM 1094 CA GLY A 72 -0.384 9.539 5.354 1.00 0.41 C ATOM 1095 C GLY A 72 0.557 9.126 6.481 1.00 0.33 C ATOM 1096 O GLY A 72 0.511 9.650 7.602 1.00 0.47 O ATOM 0 H GLY A 72 -1.355 10.865 6.663 1.00 0.31 H new ATOM 0 HA2 GLY A 72 -0.843 8.641 4.941 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.208 9.990 4.557 1.00 0.41 H new ATOM 1100 N TYR A 73 1.446 8.183 6.138 1.00 0.28 N ATOM 1101 CA TYR A 73 2.421 7.598 7.087 1.00 0.24 C ATOM 1102 C TYR A 73 3.878 8.101 6.904 1.00 0.21 C ATOM 1103 O TYR A 73 4.249 8.684 5.869 1.00 0.27 O ATOM 1104 CB TYR A 73 2.433 6.052 6.980 1.00 0.36 C ATOM 1105 CG TYR A 73 1.119 5.402 6.502 1.00 0.33 C ATOM 1106 CD1 TYR A 73 0.763 5.365 5.151 1.00 0.47 C ATOM 1107 CD2 TYR A 73 0.234 4.821 7.417 1.00 0.48 C ATOM 1108 CE1 TYR A 73 -0.420 4.774 4.740 1.00 0.63 C ATOM 1109 CE2 TYR A 73 -0.944 4.231 7.004 1.00 0.62 C ATOM 1110 CZ TYR A 73 -1.256 4.239 5.606 1.00 0.68 C ATOM 1111 OH TYR A 73 -2.439 3.621 5.265 1.00 0.89 O ATOM 0 H TYR A 73 1.514 7.800 5.195 1.00 0.28 H new ATOM 0 HA TYR A 73 2.080 7.928 8.068 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.230 5.760 6.296 1.00 0.36 H new ATOM 0 HB3 TYR A 73 2.685 5.641 7.958 1.00 0.36 H new ATOM 0 HD1 TYR A 73 1.421 5.804 4.416 1.00 0.47 H new ATOM 0 HD2 TYR A 73 0.478 4.834 8.469 1.00 0.48 H new ATOM 0 HE1 TYR A 73 -0.662 4.751 3.688 1.00 0.63 H new ATOM 0 HE2 TYR A 73 -1.614 3.775 7.718 1.00 0.62 H new ATOM 0 HH TYR A 73 -2.545 3.632 4.291 1.00 0.89 H new ATOM 1121 N ASP A 74 4.700 7.801 7.934 1.00 0.17 N ATOM 1122 CA ASP A 74 6.127 8.192 7.996 1.00 0.16 C ATOM 1123 C ASP A 74 7.065 6.964 8.117 1.00 0.15 C ATOM 1124 O ASP A 74 6.848 6.077 8.953 1.00 0.24 O ATOM 1125 CB ASP A 74 6.360 9.125 9.203 1.00 0.21 C ATOM 1126 CG ASP A 74 6.142 10.603 8.890 1.00 0.26 C ATOM 1127 OD1 ASP A 74 5.180 10.919 8.158 1.00 0.51 O ATOM 1128 OD2 ASP A 74 6.926 11.438 9.387 1.00 0.40 O ATOM 0 H ASP A 74 4.390 7.277 8.752 1.00 0.17 H new ATOM 0 HA ASP A 74 6.363 8.706 7.064 1.00 0.16 H new ATOM 0 HB2 ASP A 74 5.690 8.832 10.012 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.378 8.986 9.566 1.00 0.21 H new ATOM 1133 N ILE A 75 8.120 6.941 7.277 1.00 0.10 N ATOM 1134 CA ILE A 75 9.118 5.848 7.261 1.00 0.09 C ATOM 1135 C ILE A 75 10.557 6.436 7.461 1.00 0.08 C ATOM 1136 O ILE A 75 11.139 6.941 6.502 1.00 0.12 O ATOM 1137 CB ILE A 75 9.050 4.996 5.906 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.603 4.582 5.545 1.00 0.13 C ATOM 1139 CG2 ILE A 75 9.888 3.688 5.959 1.00 0.14 C ATOM 1140 CD1 ILE A 75 6.995 5.328 4.376 1.00 0.15 C ATOM 0 H ILE A 75 8.305 7.675 6.593 1.00 0.10 H new ATOM 0 HA ILE A 75 8.884 5.172 8.083 1.00 0.09 H new ATOM 0 HB ILE A 75 9.461 5.668 5.153 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.592 3.515 5.321 1.00 0.13 H new ATOM 0 HG13 ILE A 75 6.970 4.731 6.420 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.798 3.159 5.010 1.00 0.14 H new ATOM 0 HG22 ILE A 75 10.935 3.933 6.140 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.520 3.053 6.765 1.00 0.14 H new ATOM 0 HD11 ILE A 75 5.981 4.967 4.202 1.00 0.15 H new ATOM 0 HD12 ILE A 75 6.967 6.394 4.600 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.598 5.160 3.484 1.00 0.15 H new ATOM 1152 N PRO A 76 11.150 6.393 8.701 1.00 0.09 N ATOM 1153 CA PRO A 76 12.527 6.887 8.936 1.00 0.10 C ATOM 1154 C PRO A 76 13.658 5.874 8.590 1.00 0.09 C ATOM 1155 O PRO A 76 13.698 4.761 9.123 1.00 0.11 O ATOM 1156 CB PRO A 76 12.509 7.238 10.424 1.00 0.14 C ATOM 1157 CG PRO A 76 11.585 6.214 11.032 1.00 0.15 C ATOM 1158 CD PRO A 76 10.525 5.930 9.969 1.00 0.12 C ATOM 0 HA PRO A 76 12.765 7.724 8.279 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.507 7.182 10.859 1.00 0.14 H new ATOM 0 HB3 PRO A 76 12.145 8.252 10.590 1.00 0.14 H new ATOM 0 HG2 PRO A 76 12.127 5.306 11.297 1.00 0.15 H new ATOM 0 HG3 PRO A 76 11.130 6.592 11.947 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.277 4.870 9.927 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.599 6.466 10.176 1.00 0.12 H new ATOM 1166 N ILE A 77 14.556 6.295 7.680 1.00 0.09 N ATOM 1167 CA ILE A 77 15.693 5.464 7.214 1.00 0.10 C ATOM 1168 C ILE A 77 17.056 6.220 7.382 1.00 0.13 C ATOM 1169 O ILE A 77 17.115 7.453 7.476 1.00 0.19 O ATOM 1170 CB ILE A 77 15.514 5.012 5.695 1.00 0.12 C ATOM 1171 CG1 ILE A 77 14.019 4.879 5.297 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.202 3.635 5.383 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.475 5.891 4.312 1.00 0.19 C ATOM 0 H ILE A 77 14.518 7.217 7.245 1.00 0.09 H new ATOM 0 HA ILE A 77 15.704 4.571 7.839 1.00 0.10 H new ATOM 0 HB ILE A 77 15.994 5.802 5.117 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.868 3.884 4.878 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.421 4.936 6.206 1.00 0.11 H new ATOM 0 HG21 ILE A 77 16.046 3.380 4.335 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.271 3.709 5.584 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.767 2.860 6.014 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.422 5.684 4.122 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.578 6.894 4.726 1.00 0.19 H new ATOM 0 HD13 ILE A 77 14.032 5.825 3.378 1.00 0.19 H new ATOM 1185 N LYS A 78 18.136 5.426 7.407 1.00 0.15 N ATOM 1186 CA LYS A 78 19.524 5.917 7.528 1.00 0.20 C ATOM 1187 C LYS A 78 20.530 5.001 6.768 1.00 0.21 C ATOM 1188 O LYS A 78 21.729 5.015 7.070 1.00 0.25 O ATOM 1189 CB LYS A 78 19.937 6.011 9.017 1.00 0.27 C ATOM 1190 CG LYS A 78 19.367 7.233 9.768 1.00 0.87 C ATOM 1191 CD LYS A 78 19.719 7.223 11.271 1.00 1.32 C ATOM 1192 CE LYS A 78 19.134 8.441 12.003 1.00 1.91 C ATOM 1193 NZ LYS A 78 19.694 9.721 11.484 1.00 2.53 N ATOM 0 H LYS A 78 18.073 4.410 7.343 1.00 0.15 H new ATOM 0 HA LYS A 78 19.555 6.908 7.076 1.00 0.20 H new ATOM 0 HB2 LYS A 78 19.613 5.104 9.528 1.00 0.27 H new ATOM 0 HB3 LYS A 78 21.025 6.040 9.077 1.00 0.27 H new ATOM 0 HG2 LYS A 78 19.753 8.146 9.314 1.00 0.87 H new ATOM 0 HG3 LYS A 78 18.283 7.253 9.652 1.00 0.87 H new ATOM 0 HD2 LYS A 78 19.340 6.308 11.727 1.00 1.32 H new ATOM 0 HD3 LYS A 78 20.802 7.213 11.390 1.00 1.32 H new ATOM 0 HE2 LYS A 78 18.050 8.447 11.890 1.00 1.91 H new ATOM 0 HE3 LYS A 78 19.343 8.359 13.070 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 19.409 10.503 12.108 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 20.732 9.660 11.457 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 19.332 9.894 10.524 1.00 2.53 H new ATOM 1207 N GLU A 79 20.042 4.217 5.768 1.00 0.19 N ATOM 1208 CA GLU A 79 20.888 3.308 4.981 1.00 0.22 C ATOM 1209 C GLU A 79 20.668 3.502 3.467 1.00 0.20 C ATOM 1210 O GLU A 79 19.626 4.014 3.027 1.00 0.18 O ATOM 1211 CB GLU A 79 20.583 1.849 5.374 1.00 0.24 C ATOM 1212 CG GLU A 79 21.132 1.413 6.748 1.00 0.55 C ATOM 1213 CD GLU A 79 22.636 1.187 6.742 1.00 1.17 C ATOM 1214 OE1 GLU A 79 23.065 0.051 6.447 1.00 1.03 O ATOM 1215 OE2 GLU A 79 23.382 2.146 7.033 1.00 2.12 O ATOM 0 H GLU A 79 19.059 4.205 5.495 1.00 0.19 H new ATOM 0 HA GLU A 79 21.931 3.538 5.199 1.00 0.22 H new ATOM 0 HB2 GLU A 79 19.502 1.706 5.370 1.00 0.24 H new ATOM 0 HB3 GLU A 79 20.994 1.190 4.610 1.00 0.24 H new ATOM 0 HG2 GLU A 79 20.887 2.174 7.489 1.00 0.55 H new ATOM 0 HG3 GLU A 79 20.633 0.495 7.058 1.00 0.55 H new ATOM 1222 N GLU A 80 21.652 3.064 2.665 1.00 0.26 N ATOM 1223 CA GLU A 80 21.584 3.208 1.203 1.00 0.25 C ATOM 1224 C GLU A 80 21.609 1.867 0.446 1.00 0.27 C ATOM 1225 O GLU A 80 22.288 0.906 0.833 1.00 0.32 O ATOM 1226 CB GLU A 80 22.742 4.089 0.709 1.00 0.27 C ATOM 1227 CG GLU A 80 22.666 5.576 1.116 1.00 0.28 C ATOM 1228 CD GLU A 80 23.810 5.981 2.028 1.00 0.36 C ATOM 1229 OE1 GLU A 80 24.899 6.302 1.508 1.00 0.40 O ATOM 1230 OE2 GLU A 80 23.616 5.972 3.263 1.00 0.42 O ATOM 0 H GLU A 80 22.500 2.609 3.003 1.00 0.26 H new ATOM 0 HA GLU A 80 20.622 3.674 0.990 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.677 3.675 1.086 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.782 4.030 -0.379 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.680 6.197 0.220 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.718 5.765 1.620 1.00 0.28 H new ATOM 1237 N GLY A 81 20.857 1.853 -0.659 1.00 0.22 N ATOM 1238 CA GLY A 81 20.746 0.681 -1.528 1.00 0.23 C ATOM 1239 C GLY A 81 19.494 0.727 -2.400 1.00 0.19 C ATOM 1240 O GLY A 81 19.160 1.791 -2.945 1.00 0.18 O ATOM 0 H GLY A 81 20.309 2.654 -0.975 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.628 0.618 -2.165 1.00 0.23 H new ATOM 0 HA3 GLY A 81 20.729 -0.222 -0.917 1.00 0.23 H new ATOM 1244 N GLU A 82 18.790 -0.423 -2.571 1.00 0.20 N ATOM 1245 CA GLU A 82 17.557 -0.424 -3.369 1.00 0.17 C ATOM 1246 C GLU A 82 16.322 -0.721 -2.492 1.00 0.18 C ATOM 1247 O GLU A 82 16.120 -1.845 -2.049 1.00 0.30 O ATOM 1248 CB GLU A 82 17.653 -1.460 -4.505 1.00 0.19 C ATOM 1249 CG GLU A 82 18.786 -1.247 -5.533 1.00 0.26 C ATOM 1250 CD GLU A 82 18.702 0.081 -6.272 1.00 0.86 C ATOM 1251 OE1 GLU A 82 17.752 0.260 -7.064 1.00 0.78 O ATOM 1252 OE2 GLU A 82 19.583 0.938 -6.052 1.00 1.75 O ATOM 0 H GLU A 82 19.051 -1.327 -2.178 1.00 0.20 H new ATOM 0 HA GLU A 82 17.440 0.571 -3.799 1.00 0.17 H new ATOM 0 HB2 GLU A 82 17.778 -2.446 -4.058 1.00 0.19 H new ATOM 0 HB3 GLU A 82 16.703 -1.470 -5.040 1.00 0.19 H new ATOM 0 HG2 GLU A 82 19.746 -1.307 -5.020 1.00 0.26 H new ATOM 0 HG3 GLU A 82 18.762 -2.059 -6.260 1.00 0.26 H new ATOM 1259 N TYR A 83 15.480 0.300 -2.247 1.00 0.08 N ATOM 1260 CA TYR A 83 14.265 0.118 -1.421 1.00 0.08 C ATOM 1261 C TYR A 83 13.022 0.032 -2.305 1.00 0.08 C ATOM 1262 O TYR A 83 12.798 0.874 -3.168 1.00 0.12 O ATOM 1263 CB TYR A 83 14.102 1.227 -0.368 1.00 0.10 C ATOM 1264 CG TYR A 83 15.183 1.211 0.719 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.478 1.653 0.448 1.00 0.16 C ATOM 1266 CD2 TYR A 83 14.919 0.742 2.008 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.460 1.634 1.413 1.00 0.18 C ATOM 1268 CE2 TYR A 83 15.901 0.720 2.973 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.166 1.166 2.672 1.00 0.16 C ATOM 1270 OH TYR A 83 18.142 1.135 3.632 1.00 0.21 O ATOM 0 H TYR A 83 15.612 1.247 -2.602 1.00 0.08 H new ATOM 0 HA TYR A 83 14.383 -0.822 -0.882 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.117 2.195 -0.868 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.124 1.127 0.103 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.716 2.018 -0.540 1.00 0.16 H new ATOM 0 HD2 TYR A 83 13.927 0.391 2.252 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.455 1.985 1.182 1.00 0.18 H new ATOM 0 HE2 TYR A 83 15.678 0.353 3.964 1.00 0.19 H new ATOM 0 HH TYR A 83 17.770 0.778 4.465 1.00 0.21 H new ATOM 1280 N VAL A 84 12.212 -1.001 -2.067 1.00 0.08 N ATOM 1281 CA VAL A 84 11.008 -1.252 -2.903 1.00 0.10 C ATOM 1282 C VAL A 84 9.713 -0.971 -2.108 1.00 0.10 C ATOM 1283 O VAL A 84 9.450 -1.568 -1.056 1.00 0.10 O ATOM 1284 CB VAL A 84 10.942 -2.722 -3.569 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.174 -2.729 -4.917 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.322 -3.357 -3.840 1.00 0.20 C ATOM 0 H VAL A 84 12.354 -1.676 -1.316 1.00 0.08 H new ATOM 0 HA VAL A 84 11.095 -0.552 -3.734 1.00 0.10 H new ATOM 0 HB VAL A 84 10.418 -3.310 -2.816 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.159 -3.741 -5.322 1.00 0.13 H new ATOM 0 HG12 VAL A 84 9.152 -2.388 -4.755 1.00 0.13 H new ATOM 0 HG13 VAL A 84 10.671 -2.063 -5.622 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.188 -4.342 -4.287 1.00 0.20 H new ATOM 0 HG22 VAL A 84 12.887 -2.722 -4.523 1.00 0.20 H new ATOM 0 HG23 VAL A 84 12.868 -3.456 -2.902 1.00 0.20 H new ATOM 1296 N LEU A 85 8.916 -0.051 -2.674 1.00 0.12 N ATOM 1297 CA LEU A 85 7.627 0.351 -2.106 1.00 0.15 C ATOM 1298 C LEU A 85 6.464 -0.320 -2.887 1.00 0.16 C ATOM 1299 O LEU A 85 6.158 0.059 -4.020 1.00 0.21 O ATOM 1300 CB LEU A 85 7.510 1.891 -2.194 1.00 0.25 C ATOM 1301 CG LEU A 85 6.972 2.652 -0.947 1.00 0.43 C ATOM 1302 CD1 LEU A 85 7.452 4.097 -0.930 1.00 0.78 C ATOM 1303 CD2 LEU A 85 5.454 2.619 -0.874 1.00 0.61 C ATOM 0 H LEU A 85 9.151 0.434 -3.540 1.00 0.12 H new ATOM 0 HA LEU A 85 7.566 0.033 -1.065 1.00 0.15 H new ATOM 0 HB2 LEU A 85 8.497 2.289 -2.428 1.00 0.25 H new ATOM 0 HB3 LEU A 85 6.862 2.130 -3.037 1.00 0.25 H new ATOM 0 HG LEU A 85 7.370 2.136 -0.073 1.00 0.43 H new ATOM 0 HD11 LEU A 85 7.059 4.601 -0.047 1.00 0.78 H new ATOM 0 HD12 LEU A 85 8.542 4.118 -0.905 1.00 0.78 H new ATOM 0 HD13 LEU A 85 7.100 4.608 -1.826 1.00 0.78 H new ATOM 0 HD21 LEU A 85 5.120 3.161 0.011 1.00 0.61 H new ATOM 0 HD22 LEU A 85 5.037 3.087 -1.765 1.00 0.61 H new ATOM 0 HD23 LEU A 85 5.115 1.585 -0.815 1.00 0.61 H new ATOM 1315 N VAL A 86 5.840 -1.335 -2.264 1.00 0.17 N ATOM 1316 CA VAL A 86 4.704 -2.089 -2.883 1.00 0.21 C ATOM 1317 C VAL A 86 3.437 -1.918 -1.999 1.00 0.21 C ATOM 1318 O VAL A 86 3.464 -2.196 -0.797 1.00 0.27 O ATOM 1319 CB VAL A 86 4.960 -3.670 -3.125 1.00 0.25 C ATOM 1320 CG1 VAL A 86 4.205 -4.198 -4.375 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.448 -4.089 -3.274 1.00 0.32 C ATOM 0 H VAL A 86 6.094 -1.662 -1.332 1.00 0.17 H new ATOM 0 HA VAL A 86 4.583 -1.657 -3.876 1.00 0.21 H new ATOM 0 HB VAL A 86 4.577 -4.117 -2.208 1.00 0.25 H new ATOM 0 HG11 VAL A 86 4.406 -5.262 -4.499 1.00 0.44 H new ATOM 0 HG12 VAL A 86 3.134 -4.043 -4.245 1.00 0.44 H new ATOM 0 HG13 VAL A 86 4.545 -3.660 -5.260 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.509 -5.166 -3.432 1.00 0.32 H new ATOM 0 HG22 VAL A 86 6.888 -3.572 -4.127 1.00 0.32 H new ATOM 0 HG23 VAL A 86 6.993 -3.824 -2.368 1.00 0.32 H new ATOM 1331 N LEU A 87 2.333 -1.478 -2.620 1.00 0.20 N ATOM 1332 CA LEU A 87 1.066 -1.273 -1.876 1.00 0.22 C ATOM 1333 C LEU A 87 -0.170 -1.826 -2.602 1.00 0.22 C ATOM 1334 O LEU A 87 -0.259 -1.794 -3.841 1.00 0.26 O ATOM 1335 CB LEU A 87 0.816 0.237 -1.547 1.00 0.31 C ATOM 1336 CG LEU A 87 1.566 1.306 -2.399 1.00 0.50 C ATOM 1337 CD1 LEU A 87 0.847 1.617 -3.709 1.00 1.25 C ATOM 1338 CD2 LEU A 87 1.752 2.598 -1.605 1.00 0.88 C ATOM 0 H LEU A 87 2.283 -1.259 -3.615 1.00 0.20 H new ATOM 0 HA LEU A 87 1.199 -1.837 -0.953 1.00 0.22 H new ATOM 0 HB2 LEU A 87 -0.253 0.426 -1.640 1.00 0.31 H new ATOM 0 HB3 LEU A 87 1.079 0.399 -0.502 1.00 0.31 H new ATOM 0 HG LEU A 87 2.539 0.880 -2.643 1.00 0.50 H new ATOM 0 HD11 LEU A 87 1.411 2.367 -4.264 1.00 1.25 H new ATOM 0 HD12 LEU A 87 0.767 0.708 -4.305 1.00 1.25 H new ATOM 0 HD13 LEU A 87 -0.151 1.999 -3.494 1.00 1.25 H new ATOM 0 HD21 LEU A 87 2.277 3.330 -2.219 1.00 0.88 H new ATOM 0 HD22 LEU A 87 0.777 2.995 -1.322 1.00 0.88 H new ATOM 0 HD23 LEU A 87 2.334 2.392 -0.707 1.00 0.88 H new ATOM 1350 N LYS A 88 -1.143 -2.325 -1.795 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.425 -2.846 -2.344 1.00 0.26 C ATOM 1352 C LYS A 88 -3.583 -1.859 -2.095 1.00 0.27 C ATOM 1353 O LYS A 88 -3.900 -1.519 -0.952 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.827 -4.211 -1.715 1.00 0.31 C ATOM 1355 CG LYS A 88 -3.673 -5.188 -2.592 1.00 0.46 C ATOM 1356 CD LYS A 88 -4.937 -4.562 -3.247 1.00 1.53 C ATOM 1357 CE LYS A 88 -6.244 -5.036 -2.593 1.00 2.13 C ATOM 1358 NZ LYS A 88 -6.424 -6.510 -2.694 1.00 2.52 N ATOM 0 H LYS A 88 -1.068 -2.378 -0.779 1.00 0.23 H new ATOM 0 HA LYS A 88 -2.255 -2.975 -3.413 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.913 -4.728 -1.421 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -3.386 -4.009 -0.802 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -3.035 -5.589 -3.380 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -3.983 -6.030 -1.974 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -4.875 -3.476 -3.179 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -4.954 -4.815 -4.307 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -6.250 -4.743 -1.543 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -7.088 -4.536 -3.068 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 -6.911 -6.859 -1.844 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 -6.993 -6.733 -3.535 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 -5.494 -6.969 -2.773 1.00 2.52 H new ATOM 1372 N PHE A 89 -4.216 -1.426 -3.194 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.388 -0.548 -3.131 1.00 0.29 C ATOM 1374 C PHE A 89 -6.661 -1.343 -3.531 1.00 0.31 C ATOM 1375 O PHE A 89 -6.665 -2.117 -4.511 1.00 0.32 O ATOM 1376 CB PHE A 89 -5.233 0.680 -4.066 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.416 1.856 -3.508 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -4.730 2.472 -2.281 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.307 2.340 -4.211 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -3.960 3.516 -1.801 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.549 3.386 -3.723 1.00 0.26 C ATOM 1382 CZ PHE A 89 -2.982 4.023 -2.469 1.00 0.31 C ATOM 0 H PHE A 89 -3.932 -1.673 -4.142 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.479 -0.186 -2.107 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.767 0.348 -4.994 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -6.228 1.044 -4.322 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -5.579 2.126 -1.710 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -3.039 1.887 -5.154 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -4.188 3.923 -0.827 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.667 3.726 -4.245 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.482 4.911 -2.111 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.734 -1.154 -2.733 1.00 0.33 N ATOM 1393 CA ALA A 90 -9.057 -1.829 -2.938 1.00 0.36 C ATOM 1394 C ALA A 90 -10.227 -0.806 -2.751 1.00 0.39 C ATOM 1395 O ALA A 90 -10.123 0.150 -1.951 1.00 0.37 O ATOM 1396 CB ALA A 90 -9.243 -3.039 -1.966 1.00 0.41 C ATOM 0 H ALA A 90 -7.719 -0.531 -1.925 1.00 0.33 H new ATOM 0 HA ALA A 90 -9.076 -2.212 -3.958 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -10.213 -3.503 -2.144 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.454 -3.770 -2.140 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -9.192 -2.689 -0.935 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.349 -1.012 -3.492 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.539 -0.129 -3.412 1.00 0.53 C ATOM 1404 C GLU A 91 -13.708 -0.807 -2.652 1.00 0.63 C ATOM 1405 O GLU A 91 -14.019 -0.404 -1.529 1.00 1.23 O ATOM 1406 CB GLU A 91 -12.987 0.288 -4.841 1.00 0.78 C ATOM 1407 CG GLU A 91 -14.114 1.347 -4.902 1.00 1.80 C ATOM 1408 CD GLU A 91 -13.655 2.739 -4.499 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -13.643 3.033 -3.285 1.00 1.94 O ATOM 1410 OE2 GLU A 91 -13.307 3.534 -5.397 1.00 2.61 O ATOM 0 H GLU A 91 -11.452 -1.783 -4.151 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.259 0.761 -2.849 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -12.120 0.674 -5.377 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -13.320 -0.603 -5.373 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -14.514 1.383 -5.915 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -14.929 1.038 -4.248 1.00 1.80 H new ATOM 1417 N VAL A 92 -14.346 -1.840 -3.294 1.00 0.60 N ATOM 1418 CA VAL A 92 -15.525 -2.670 -2.768 1.00 0.76 C ATOM 1419 C VAL A 92 -16.742 -1.868 -2.163 1.00 0.66 C ATOM 1420 O VAL A 92 -17.160 -2.117 -1.024 1.00 1.19 O ATOM 1421 CB VAL A 92 -15.149 -3.931 -1.823 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -14.670 -5.129 -2.662 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -14.105 -3.681 -0.690 1.00 2.00 C ATOM 0 H VAL A 92 -14.056 -2.141 -4.225 1.00 0.60 H new ATOM 0 HA VAL A 92 -15.873 -3.081 -3.716 1.00 0.76 H new ATOM 0 HB VAL A 92 -16.092 -4.133 -1.315 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -14.425 -5.961 -2.002 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -15.461 -5.432 -3.348 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -13.785 -4.844 -3.231 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -13.944 -4.604 -0.133 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -13.163 -3.353 -1.129 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -14.478 -2.911 -0.015 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.287 -0.909 -2.945 1.00 0.76 N ATOM 1434 CA TYR A 93 -18.439 -0.087 -2.505 1.00 0.80 C ATOM 1435 C TYR A 93 -19.131 0.649 -3.675 1.00 0.86 C ATOM 1436 O TYR A 93 -20.347 0.520 -3.844 1.00 1.46 O ATOM 1437 CB TYR A 93 -18.017 0.940 -1.429 1.00 1.23 C ATOM 1438 CG TYR A 93 -18.944 0.978 -0.202 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -20.094 1.775 -0.186 1.00 1.01 C ATOM 1440 CD2 TYR A 93 -18.658 0.228 0.946 1.00 1.14 C ATOM 1441 CE1 TYR A 93 -20.921 1.819 0.925 1.00 1.43 C ATOM 1442 CE2 TYR A 93 -19.485 0.274 2.056 1.00 1.47 C ATOM 1443 CZ TYR A 93 -20.643 1.022 2.015 1.00 1.67 C ATOM 1444 OH TYR A 93 -21.432 1.116 3.141 1.00 2.27 O ATOM 0 H TYR A 93 -16.949 -0.685 -3.881 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.158 -0.786 -2.078 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -17.004 0.710 -1.099 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -17.987 1.932 -1.880 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -20.341 2.366 -1.055 1.00 1.01 H new ATOM 0 HD2 TYR A 93 -17.777 -0.397 0.966 1.00 1.14 H new ATOM 0 HE1 TYR A 93 -21.779 2.475 0.937 1.00 1.43 H new ATOM 0 HE2 TYR A 93 -19.224 -0.273 2.950 1.00 1.47 H new ATOM 0 HH TYR A 93 -21.108 0.489 3.821 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.359 1.420 -4.481 1.00 0.78 N ATOM 1455 CA PHE A 94 -18.920 2.188 -5.615 1.00 0.82 C ATOM 1456 C PHE A 94 -18.337 1.743 -6.969 1.00 0.76 C ATOM 1457 O PHE A 94 -17.131 1.495 -7.100 1.00 0.79 O ATOM 1458 CB PHE A 94 -18.662 3.699 -5.431 1.00 1.01 C ATOM 1459 CG PHE A 94 -19.199 4.273 -4.122 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -20.570 4.462 -3.917 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -18.324 4.634 -3.099 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -21.043 4.994 -2.728 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -18.798 5.165 -1.910 1.00 1.23 C ATOM 1464 CZ PHE A 94 -20.206 5.304 -1.727 1.00 1.37 C ATOM 0 H PHE A 94 -17.351 1.525 -4.365 1.00 0.78 H new ATOM 0 HA PHE A 94 -19.992 1.990 -5.622 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -17.588 3.881 -5.481 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -19.116 4.237 -6.263 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -21.268 4.190 -4.695 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -17.261 4.498 -3.235 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -22.103 5.162 -2.605 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -18.112 5.469 -1.133 1.00 1.23 H new ATOM 0 HZ PHE A 94 -20.597 5.658 -0.785 1.00 1.37 H new ATOM 1474 N ALA A 95 -19.225 1.665 -7.993 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.842 1.251 -9.362 1.00 0.73 C ATOM 1476 C ALA A 95 -18.860 2.449 -10.361 1.00 0.72 C ATOM 1477 O ALA A 95 -19.924 2.951 -10.779 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.747 0.082 -9.844 1.00 0.82 C ATOM 0 H ALA A 95 -20.216 1.885 -7.892 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.813 0.894 -9.331 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -19.455 -0.213 -10.852 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -19.634 -0.767 -9.170 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.788 0.406 -9.848 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.647 2.943 -10.685 1.00 0.65 N ATOM 1485 CA GLN A 96 -17.464 4.069 -11.630 1.00 0.66 C ATOM 1486 C GLN A 96 -16.010 4.152 -12.142 1.00 0.58 C ATOM 1487 O GLN A 96 -15.052 3.967 -11.379 1.00 0.53 O ATOM 1488 CB GLN A 96 -17.867 5.412 -10.970 1.00 0.72 C ATOM 1489 CG GLN A 96 -18.346 6.505 -11.950 1.00 1.40 C ATOM 1490 CD GLN A 96 -19.707 6.204 -12.564 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -20.746 6.550 -12.001 1.00 2.38 O ATOM 1492 NE2 GLN A 96 -19.705 5.564 -13.728 1.00 2.45 N ATOM 0 H GLN A 96 -16.774 2.578 -10.304 1.00 0.65 H new ATOM 0 HA GLN A 96 -18.115 3.882 -12.484 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -18.660 5.220 -10.248 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -17.013 5.795 -10.411 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -18.394 7.459 -11.425 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -17.611 6.617 -12.747 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -18.821 5.295 -14.161 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -20.587 5.341 -14.189 1.00 2.45 H new ATOM 1501 N SER A 97 -15.861 4.472 -13.442 1.00 0.64 N ATOM 1502 CA SER A 97 -14.535 4.573 -14.091 1.00 0.62 C ATOM 1503 C SER A 97 -14.288 5.946 -14.742 1.00 0.81 C ATOM 1504 O SER A 97 -15.045 6.387 -15.615 1.00 1.66 O ATOM 1505 CB SER A 97 -14.386 3.480 -15.159 1.00 0.68 C ATOM 1506 OG SER A 97 -14.173 2.204 -14.580 1.00 0.73 O ATOM 0 H SER A 97 -16.644 4.666 -14.067 1.00 0.64 H new ATOM 0 HA SER A 97 -13.794 4.443 -13.302 1.00 0.62 H new ATOM 0 HB2 SER A 97 -15.282 3.453 -15.779 1.00 0.68 H new ATOM 0 HB3 SER A 97 -13.551 3.725 -15.816 1.00 0.68 H new ATOM 0 HG SER A 97 -14.085 1.534 -15.289 1.00 0.73 H new ATOM 1512 N GLN A 98 -13.184 6.608 -14.287 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.715 7.969 -14.745 1.00 0.54 C ATOM 1514 C GLN A 98 -13.657 9.128 -14.297 1.00 0.56 C ATOM 1515 O GLN A 98 -14.194 9.887 -15.111 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.475 8.019 -16.278 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.012 8.271 -16.690 1.00 1.06 C ATOM 1518 CD GLN A 98 -10.822 8.402 -18.191 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -11.544 7.796 -18.986 1.00 1.89 O ATOM 1520 NE2 GLN A 98 -9.835 9.199 -18.586 1.00 1.60 N ATOM 0 H GLN A 98 -12.575 6.207 -13.574 1.00 0.55 H new ATOM 0 HA GLN A 98 -11.759 8.127 -14.246 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -12.805 7.076 -16.715 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -13.099 8.804 -16.705 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -10.658 9.181 -16.206 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -10.393 7.452 -16.323 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -9.261 9.682 -17.894 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -9.651 9.328 -19.581 1.00 1.60 H new ATOM 1529 N GLN A 99 -13.824 9.215 -12.979 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.675 10.208 -12.297 1.00 0.58 C ATOM 1531 C GLN A 99 -14.177 10.370 -10.849 1.00 0.57 C ATOM 1532 O GLN A 99 -14.119 11.485 -10.324 1.00 0.62 O ATOM 1533 CB GLN A 99 -16.161 9.778 -12.319 1.00 0.61 C ATOM 1534 CG GLN A 99 -17.168 10.914 -12.056 1.00 1.18 C ATOM 1535 CD GLN A 99 -18.617 10.453 -12.122 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -18.969 9.566 -12.899 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -19.467 11.061 -11.301 1.00 2.02 N ATOM 0 H GLN A 99 -13.360 8.580 -12.329 1.00 0.53 H new ATOM 0 HA GLN A 99 -14.607 11.162 -12.820 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -16.381 9.334 -13.290 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.310 8.999 -11.571 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -16.974 11.344 -11.073 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -17.011 11.707 -12.787 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -19.134 11.792 -10.672 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -20.452 10.797 -11.300 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.815 9.221 -10.211 1.00 0.53 N ATOM 1547 CA LYS A 100 -13.239 9.191 -8.861 1.00 0.55 C ATOM 1548 C LYS A 100 -11.717 8.945 -8.986 1.00 0.48 C ATOM 1549 O LYS A 100 -11.229 7.816 -8.864 1.00 0.49 O ATOM 1550 CB LYS A 100 -13.911 8.095 -8.005 1.00 0.64 C ATOM 1551 CG LYS A 100 -15.372 8.402 -7.608 1.00 1.11 C ATOM 1552 CD LYS A 100 -16.021 7.257 -6.800 1.00 1.52 C ATOM 1553 CE LYS A 100 -17.456 7.598 -6.360 1.00 2.14 C ATOM 1554 NZ LYS A 100 -17.493 8.786 -5.462 1.00 2.76 N ATOM 0 H LYS A 100 -13.920 8.297 -10.630 1.00 0.53 H new ATOM 0 HA LYS A 100 -13.415 10.143 -8.360 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -13.887 7.155 -8.556 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -13.324 7.948 -7.098 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -15.400 9.319 -7.019 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -15.959 8.584 -8.508 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -16.034 6.350 -7.404 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -15.413 7.045 -5.920 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -18.070 7.789 -7.240 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -17.892 6.741 -5.847 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -18.435 8.863 -5.027 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -16.775 8.681 -4.717 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -17.295 9.645 -6.014 1.00 2.76 H new ATOM 1568 N VAL A 101 -10.991 10.051 -9.241 1.00 0.45 N ATOM 1569 CA VAL A 101 -9.516 10.038 -9.461 1.00 0.40 C ATOM 1570 C VAL A 101 -8.757 10.662 -8.262 1.00 0.41 C ATOM 1571 O VAL A 101 -9.098 11.750 -7.780 1.00 0.47 O ATOM 1572 CB VAL A 101 -9.033 10.712 -10.839 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.912 9.666 -11.967 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -9.909 11.889 -11.365 1.00 0.68 C ATOM 0 H VAL A 101 -11.402 10.982 -9.302 1.00 0.45 H new ATOM 0 HA VAL A 101 -9.263 8.981 -9.543 1.00 0.40 H new ATOM 0 HB VAL A 101 -8.063 11.135 -10.577 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.584 10.156 -12.884 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -8.185 8.905 -11.682 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.882 9.197 -12.134 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -9.490 12.266 -12.298 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -10.925 11.536 -11.540 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -9.925 12.689 -10.625 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.708 9.953 -7.818 1.00 0.39 N ATOM 1585 CA PHE A 102 -6.920 10.351 -6.632 1.00 0.40 C ATOM 1586 C PHE A 102 -5.439 10.724 -6.917 1.00 0.38 C ATOM 1587 O PHE A 102 -4.946 10.592 -8.037 1.00 0.41 O ATOM 1588 CB PHE A 102 -6.971 9.167 -5.654 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.392 8.781 -5.220 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -9.190 9.651 -4.467 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -8.911 7.528 -5.527 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.454 9.274 -4.040 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -10.175 7.154 -5.106 1.00 0.70 C ATOM 1594 CZ PHE A 102 -11.017 8.130 -4.501 1.00 0.69 C ATOM 0 H PHE A 102 -7.381 9.095 -8.263 1.00 0.39 H new ATOM 0 HA PHE A 102 -7.362 11.264 -6.233 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.496 8.303 -6.119 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -6.385 9.414 -4.768 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -8.815 10.632 -4.215 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -8.317 6.835 -6.104 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -10.992 9.894 -3.338 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -10.518 6.138 -5.234 1.00 0.70 H new ATOM 0 HZ PHE A 102 -12.080 7.963 -4.411 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.735 11.207 -5.862 1.00 0.36 N ATOM 1605 CA ASP A 103 -3.308 11.587 -5.964 1.00 0.34 C ATOM 1606 C ASP A 103 -2.460 10.860 -4.879 1.00 0.32 C ATOM 1607 O ASP A 103 -2.833 10.782 -3.703 1.00 0.34 O ATOM 1608 CB ASP A 103 -3.191 13.156 -5.962 1.00 0.37 C ATOM 1609 CG ASP A 103 -1.782 13.770 -6.038 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -1.040 13.678 -5.038 1.00 1.33 O ATOM 1611 OD2 ASP A 103 -1.441 14.347 -7.091 1.00 1.30 O ATOM 0 H ASP A 103 -5.134 11.341 -4.933 1.00 0.36 H new ATOM 0 HA ASP A 103 -2.883 11.250 -6.909 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -3.768 13.536 -6.805 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -3.669 13.526 -5.055 1.00 0.37 H new ATOM 1616 N VAL A 104 -1.293 10.354 -5.331 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.355 9.579 -4.488 1.00 0.28 C ATOM 1618 C VAL A 104 1.116 10.150 -4.631 1.00 0.26 C ATOM 1619 O VAL A 104 1.684 10.184 -5.754 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.553 8.004 -4.849 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.684 7.090 -4.701 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.666 7.379 -3.981 1.00 0.48 C ATOM 0 H VAL A 104 -0.973 10.471 -6.292 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.564 9.680 -3.423 1.00 0.28 H new ATOM 0 HB VAL A 104 -0.796 8.039 -5.911 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.416 6.069 -4.972 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.478 7.443 -5.358 1.00 0.31 H new ATOM 0 HG13 VAL A 104 1.031 7.112 -3.668 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.781 6.326 -4.239 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.399 7.467 -2.928 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.605 7.902 -4.162 1.00 0.48 H new ATOM 1632 N ARG A 105 1.714 10.514 -3.452 1.00 0.26 N ATOM 1633 CA ARG A 105 3.087 11.091 -3.368 1.00 0.26 C ATOM 1634 C ARG A 105 4.077 10.271 -2.498 1.00 0.23 C ATOM 1635 O ARG A 105 3.718 9.747 -1.436 1.00 0.26 O ATOM 1636 CB ARG A 105 3.096 12.545 -2.792 1.00 0.33 C ATOM 1637 CG ARG A 105 1.729 13.252 -2.592 1.00 0.53 C ATOM 1638 CD ARG A 105 1.920 14.735 -2.199 1.00 0.51 C ATOM 1639 NE ARG A 105 0.719 15.324 -1.618 1.00 0.92 N ATOM 1640 CZ ARG A 105 0.670 16.571 -1.149 1.00 1.25 C ATOM 1641 NH1 ARG A 105 1.739 17.353 -1.221 1.00 1.15 N ATOM 1642 NH2 ARG A 105 -0.449 17.040 -0.611 1.00 1.69 N ATOM 0 H ARG A 105 1.258 10.415 -2.545 1.00 0.26 H new ATOM 0 HA ARG A 105 3.417 11.074 -4.407 1.00 0.26 H new ATOM 0 HB2 ARG A 105 3.605 12.520 -1.828 1.00 0.33 H new ATOM 0 HB3 ARG A 105 3.700 13.164 -3.455 1.00 0.33 H new ATOM 0 HG2 ARG A 105 1.146 13.189 -3.511 1.00 0.53 H new ATOM 0 HG3 ARG A 105 1.160 12.738 -1.817 1.00 0.53 H new ATOM 0 HD2 ARG A 105 2.740 14.814 -1.485 1.00 0.51 H new ATOM 0 HD3 ARG A 105 2.209 15.306 -3.081 1.00 0.51 H new ATOM 0 HE ARG A 105 -0.125 14.754 -1.568 1.00 0.92 H new ATOM 0 HH11 ARG A 105 2.602 17.001 -1.636 1.00 1.15 H new ATOM 0 HH12 ARG A 105 1.698 18.307 -0.861 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -1.276 16.446 -0.555 1.00 1.69 H new ATOM 0 HH22 ARG A 105 -0.482 17.995 -0.253 1.00 1.69 H new ATOM 1656 N VAL A 106 5.352 10.204 -2.979 1.00 0.23 N ATOM 1657 CA VAL A 106 6.480 9.507 -2.269 1.00 0.23 C ATOM 1658 C VAL A 106 7.638 10.503 -1.876 1.00 0.22 C ATOM 1659 O VAL A 106 8.474 10.876 -2.704 1.00 0.23 O ATOM 1660 CB VAL A 106 7.048 8.195 -3.020 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.039 7.030 -2.963 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.463 8.402 -4.504 1.00 0.60 C ATOM 0 H VAL A 106 5.632 10.627 -3.864 1.00 0.23 H new ATOM 0 HA VAL A 106 6.031 9.130 -1.350 1.00 0.23 H new ATOM 0 HB VAL A 106 7.956 7.961 -2.464 1.00 0.29 H new ATOM 0 HG11 VAL A 106 6.454 6.164 -3.478 1.00 0.57 H new ATOM 0 HG12 VAL A 106 5.839 6.772 -1.923 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.110 7.329 -3.448 1.00 0.57 H new ATOM 0 HG21 VAL A 106 7.830 7.461 -4.914 1.00 0.60 H new ATOM 0 HG22 VAL A 106 6.600 8.737 -5.080 1.00 0.60 H new ATOM 0 HG23 VAL A 106 8.250 9.154 -4.560 1.00 0.60 H new ATOM 1672 N ASN A 107 7.633 10.937 -0.576 1.00 0.23 N ATOM 1673 CA ASN A 107 8.592 11.935 0.058 1.00 0.23 C ATOM 1674 C ASN A 107 8.484 13.372 -0.538 1.00 0.24 C ATOM 1675 O ASN A 107 9.443 14.155 -0.516 1.00 0.25 O ATOM 1676 CB ASN A 107 10.055 11.454 0.003 1.00 0.23 C ATOM 1677 CG ASN A 107 10.838 11.760 1.272 1.00 0.27 C ATOM 1678 OD1 ASN A 107 10.265 11.988 2.336 1.00 1.05 O ATOM 1679 ND2 ASN A 107 12.148 11.805 1.134 1.00 1.12 N ATOM 0 H ASN A 107 6.942 10.597 0.092 1.00 0.23 H new ATOM 0 HA ASN A 107 8.279 11.993 1.101 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.070 10.379 -0.174 1.00 0.23 H new ATOM 0 HB3 ASN A 107 10.553 11.924 -0.845 1.00 0.23 H new ATOM 0 HD21 ASN A 107 12.737 12.038 1.933 1.00 1.12 H new ATOM 0 HD22 ASN A 107 12.572 11.607 0.228 1.00 1.12 H new ATOM 1686 N GLY A 108 7.299 13.683 -1.049 1.00 0.25 N ATOM 1687 CA GLY A 108 7.052 14.955 -1.682 1.00 0.29 C ATOM 1688 C GLY A 108 6.910 14.867 -3.222 1.00 0.29 C ATOM 1689 O GLY A 108 6.352 15.769 -3.852 1.00 0.32 O ATOM 0 H GLY A 108 6.492 13.059 -1.032 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.142 15.387 -1.266 1.00 0.29 H new ATOM 0 HA3 GLY A 108 7.868 15.636 -1.440 1.00 0.29 H new ATOM 1693 N HIS A 109 7.430 13.751 -3.812 1.00 0.27 N ATOM 1694 CA HIS A 109 7.424 13.467 -5.250 1.00 0.28 C ATOM 1695 C HIS A 109 6.150 12.728 -5.733 1.00 0.30 C ATOM 1696 O HIS A 109 5.890 11.623 -5.276 1.00 0.57 O ATOM 1697 CB HIS A 109 8.609 12.529 -5.490 1.00 0.29 C ATOM 1698 CG HIS A 109 9.972 13.126 -5.261 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.625 13.891 -6.201 1.00 0.43 N ATOM 1700 CD2 HIS A 109 10.818 13.038 -4.194 1.00 0.27 C ATOM 1701 CE1 HIS A 109 11.808 14.246 -5.733 1.00 0.46 C ATOM 1702 NE2 HIS A 109 11.948 13.744 -4.520 1.00 0.36 N ATOM 0 H HIS A 109 7.875 13.011 -3.269 1.00 0.27 H new ATOM 0 HA HIS A 109 7.470 14.412 -5.791 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.499 11.661 -4.840 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.559 12.166 -6.517 1.00 0.29 H new ATOM 0 HD1 HIS A 109 10.253 14.144 -7.116 1.00 0.43 H new ATOM 0 HD2 HIS A 109 10.633 12.512 -3.269 1.00 0.27 H new ATOM 0 HE1 HIS A 109 12.538 14.846 -6.255 1.00 0.46 H new ATOM 1711 N THR A 110 5.373 13.290 -6.701 1.00 0.31 N ATOM 1712 CA THR A 110 4.150 12.569 -7.188 1.00 0.32 C ATOM 1713 C THR A 110 4.440 11.602 -8.333 1.00 0.35 C ATOM 1714 O THR A 110 5.000 11.955 -9.377 1.00 0.47 O ATOM 1715 CB THR A 110 2.893 13.428 -7.554 1.00 0.43 C ATOM 1716 OG1 THR A 110 3.250 14.682 -8.168 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.013 13.678 -6.329 1.00 0.47 C ATOM 0 H THR A 110 5.552 14.191 -7.143 1.00 0.31 H new ATOM 0 HA THR A 110 3.873 12.027 -6.284 1.00 0.32 H new ATOM 0 HB THR A 110 2.325 12.848 -8.282 1.00 0.43 H new ATOM 0 HG1 THR A 110 2.436 15.185 -8.381 1.00 0.55 H new ATOM 0 HG21 THR A 110 1.149 14.277 -6.618 1.00 0.47 H new ATOM 0 HG22 THR A 110 1.674 12.725 -5.924 1.00 0.47 H new ATOM 0 HG23 THR A 110 2.587 14.211 -5.571 1.00 0.47 H new ATOM 1725 N VAL A 111 4.012 10.373 -8.078 1.00 0.29 N ATOM 1726 CA VAL A 111 4.210 9.235 -8.994 1.00 0.35 C ATOM 1727 C VAL A 111 2.904 8.801 -9.709 1.00 0.35 C ATOM 1728 O VAL A 111 2.924 8.536 -10.914 1.00 0.39 O ATOM 1729 CB VAL A 111 4.927 7.976 -8.316 1.00 0.38 C ATOM 1730 CG1 VAL A 111 6.460 8.119 -8.380 1.00 1.06 C ATOM 1731 CG2 VAL A 111 4.503 7.654 -6.842 1.00 1.00 C ATOM 0 H VAL A 111 3.512 10.126 -7.224 1.00 0.29 H new ATOM 0 HA VAL A 111 4.895 9.617 -9.751 1.00 0.35 H new ATOM 0 HB VAL A 111 4.581 7.131 -8.911 1.00 0.38 H new ATOM 0 HG11 VAL A 111 6.926 7.251 -7.913 1.00 1.06 H new ATOM 0 HG12 VAL A 111 6.776 8.184 -9.421 1.00 1.06 H new ATOM 0 HG13 VAL A 111 6.764 9.023 -7.851 1.00 1.06 H new ATOM 0 HG21 VAL A 111 5.053 6.782 -6.487 1.00 1.00 H new ATOM 0 HG22 VAL A 111 4.727 8.509 -6.204 1.00 1.00 H new ATOM 0 HG23 VAL A 111 3.433 7.447 -6.808 1.00 1.00 H new ATOM 1741 N VAL A 112 1.775 8.730 -8.962 1.00 0.33 N ATOM 1742 CA VAL A 112 0.484 8.337 -9.581 1.00 0.35 C ATOM 1743 C VAL A 112 -0.601 9.368 -9.206 1.00 0.34 C ATOM 1744 O VAL A 112 -1.284 9.229 -8.187 1.00 0.32 O ATOM 1745 CB VAL A 112 -0.044 6.826 -9.290 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.323 6.083 -10.616 1.00 0.44 C ATOM 1747 CG2 VAL A 112 0.898 5.921 -8.452 1.00 0.40 C ATOM 0 H VAL A 112 1.729 8.932 -7.963 1.00 0.33 H new ATOM 0 HA VAL A 112 0.686 8.332 -10.652 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.943 6.988 -8.695 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -0.675 5.074 -10.401 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -1.085 6.620 -11.181 1.00 0.44 H new ATOM 0 HG13 VAL A 112 0.594 6.030 -11.203 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.441 4.940 -8.323 1.00 0.40 H new ATOM 0 HG22 VAL A 112 1.852 5.812 -8.968 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.064 6.375 -7.475 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.747 10.408 -10.069 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.746 11.465 -9.854 1.00 0.38 C ATOM 1759 C LYS A 113 -2.873 11.428 -10.893 1.00 0.43 C ATOM 1760 O LYS A 113 -2.992 12.246 -11.811 1.00 0.70 O ATOM 1761 CB LYS A 113 -1.096 12.846 -9.786 1.00 0.42 C ATOM 1762 CG LYS A 113 -0.286 13.246 -11.043 1.00 1.12 C ATOM 1763 CD LYS A 113 0.598 14.474 -10.791 1.00 1.27 C ATOM 1764 CE LYS A 113 -0.208 15.738 -10.460 1.00 1.50 C ATOM 1765 NZ LYS A 113 0.680 16.916 -10.253 1.00 2.30 N ATOM 0 H LYS A 113 -0.185 10.528 -10.912 1.00 0.36 H new ATOM 0 HA LYS A 113 -2.205 11.265 -8.886 1.00 0.38 H new ATOM 0 HB2 LYS A 113 -1.875 13.591 -9.621 1.00 0.42 H new ATOM 0 HB3 LYS A 113 -0.435 12.879 -8.920 1.00 0.42 H new ATOM 0 HG2 LYS A 113 0.338 12.408 -11.354 1.00 1.12 H new ATOM 0 HG3 LYS A 113 -0.971 13.455 -11.864 1.00 1.12 H new ATOM 0 HD2 LYS A 113 1.281 14.260 -9.969 1.00 1.27 H new ATOM 0 HD3 LYS A 113 1.210 14.661 -11.673 1.00 1.27 H new ATOM 0 HE2 LYS A 113 -0.907 15.947 -11.270 1.00 1.50 H new ATOM 0 HE3 LYS A 113 -0.802 15.567 -9.562 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 0.102 17.752 -10.031 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 1.331 16.726 -9.464 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 1.228 17.094 -11.119 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.696 10.445 -10.621 1.00 0.37 N ATOM 1780 CA ASP A 114 -4.931 10.024 -11.349 1.00 0.42 C ATOM 1781 C ASP A 114 -5.153 8.520 -11.057 1.00 0.38 C ATOM 1782 O ASP A 114 -5.172 7.679 -11.964 1.00 0.40 O ATOM 1783 CB ASP A 114 -5.005 10.357 -12.919 1.00 0.50 C ATOM 1784 CG ASP A 114 -3.876 9.818 -13.842 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -2.937 9.180 -13.319 1.00 2.48 O ATOM 1786 OD2 ASP A 114 -3.950 10.040 -15.069 1.00 2.09 O ATOM 0 H ASP A 114 -3.528 9.845 -9.813 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.744 10.640 -10.964 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -5.953 9.974 -13.296 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -5.034 11.441 -13.028 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.341 8.194 -9.759 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.490 6.810 -9.333 1.00 0.36 C ATOM 1793 C LEU A 115 -6.951 6.382 -9.121 1.00 0.38 C ATOM 1794 O LEU A 115 -7.583 6.693 -8.111 1.00 0.42 O ATOM 1795 CB LEU A 115 -4.588 6.527 -8.109 1.00 0.38 C ATOM 1796 CG LEU A 115 -4.158 5.042 -7.860 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -3.547 4.343 -9.084 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -3.170 4.966 -6.717 1.00 1.06 C ATOM 0 H LEU A 115 -5.391 8.876 -9.002 1.00 0.36 H new ATOM 0 HA LEU A 115 -5.149 6.179 -10.154 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -3.684 7.127 -8.211 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -5.107 6.881 -7.219 1.00 0.38 H new ATOM 0 HG LEU A 115 -5.082 4.515 -7.622 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -3.278 3.320 -8.822 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -4.274 4.331 -9.896 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -2.655 4.882 -9.403 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -2.880 3.928 -6.555 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -2.286 5.556 -6.960 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -3.631 5.359 -5.811 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.461 5.701 -10.166 1.00 0.39 N ATOM 1811 CA ASP A 116 -8.825 5.129 -10.215 1.00 0.43 C ATOM 1812 C ASP A 116 -8.744 3.576 -10.206 1.00 0.42 C ATOM 1813 O ASP A 116 -8.305 2.953 -11.182 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.679 5.663 -11.438 1.00 0.46 C ATOM 1815 CG ASP A 116 -8.948 5.831 -12.794 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -7.966 5.097 -13.034 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -9.367 6.694 -13.594 1.00 1.83 O ATOM 0 H ASP A 116 -6.927 5.529 -11.018 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.354 5.464 -9.323 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -10.516 4.982 -11.588 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -10.100 6.629 -11.160 1.00 0.46 H new ATOM 1822 N ILE A 117 -9.202 2.969 -9.085 1.00 0.42 N ATOM 1823 CA ILE A 117 -9.165 1.484 -8.844 1.00 0.42 C ATOM 1824 C ILE A 117 -10.143 0.644 -9.763 1.00 0.44 C ATOM 1825 O ILE A 117 -9.781 -0.462 -10.182 1.00 0.44 O ATOM 1826 CB ILE A 117 -9.396 1.157 -7.298 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -8.869 2.307 -6.376 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -8.713 -0.177 -6.856 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -9.940 3.125 -5.659 1.00 0.68 C ATOM 0 H ILE A 117 -9.613 3.489 -8.310 1.00 0.42 H new ATOM 0 HA ILE A 117 -8.164 1.164 -9.133 1.00 0.42 H new ATOM 0 HB ILE A 117 -10.475 1.056 -7.185 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -8.208 1.872 -5.626 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -8.265 2.984 -6.980 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.903 -0.349 -5.797 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -9.121 -1.004 -7.437 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.638 -0.109 -7.026 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -9.464 3.893 -5.049 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -10.590 3.598 -6.395 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -10.532 2.469 -5.020 1.00 0.68 H new ATOM 1841 N PHE A 118 -11.338 1.199 -10.114 1.00 0.48 N ATOM 1842 CA PHE A 118 -12.332 0.507 -10.994 1.00 0.51 C ATOM 1843 C PHE A 118 -11.926 0.534 -12.507 1.00 0.53 C ATOM 1844 O PHE A 118 -12.135 -0.450 -13.218 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.727 1.136 -10.805 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.893 0.215 -11.177 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -15.333 -0.788 -10.310 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -15.551 0.364 -12.399 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -16.392 -1.613 -10.653 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -16.609 -0.462 -12.743 1.00 0.75 C ATOM 1851 CZ PHE A 118 -17.013 -1.480 -11.847 1.00 0.77 C ATOM 0 H PHE A 118 -11.638 2.123 -9.802 1.00 0.48 H new ATOM 0 HA PHE A 118 -12.354 -0.540 -10.693 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.837 1.439 -9.764 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.789 2.042 -11.409 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -14.840 -0.922 -9.358 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -15.231 1.134 -13.086 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -16.725 -2.371 -9.959 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -17.120 -0.330 -13.685 1.00 0.75 H new ATOM 0 HZ PHE A 118 -17.816 -2.150 -12.116 1.00 0.77 H new ATOM 1861 N ASP A 119 -11.330 1.676 -12.971 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.817 1.855 -14.367 1.00 0.54 C ATOM 1863 C ASP A 119 -9.478 1.074 -14.647 1.00 0.53 C ATOM 1864 O ASP A 119 -9.207 0.715 -15.797 1.00 0.57 O ATOM 1865 CB ASP A 119 -10.608 3.359 -14.652 1.00 0.55 C ATOM 1866 CG ASP A 119 -11.013 3.797 -16.064 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -10.967 2.957 -16.988 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -11.365 4.983 -16.237 1.00 0.91 O ATOM 0 H ASP A 119 -11.192 2.500 -12.385 1.00 0.52 H new ATOM 0 HA ASP A 119 -11.570 1.435 -15.034 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -11.181 3.937 -13.927 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -9.557 3.604 -14.496 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.655 0.826 -13.582 1.00 0.49 N ATOM 1874 CA ARG A 120 -7.369 0.086 -13.695 1.00 0.48 C ATOM 1875 C ARG A 120 -7.549 -1.457 -13.737 1.00 0.50 C ATOM 1876 O ARG A 120 -7.110 -2.087 -14.703 1.00 0.54 O ATOM 1877 CB ARG A 120 -6.424 0.462 -12.542 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.789 1.877 -12.633 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.725 2.011 -13.746 1.00 0.52 C ATOM 1880 NE ARG A 120 -5.321 2.097 -15.080 1.00 1.23 N ATOM 1881 CZ ARG A 120 -4.616 2.084 -16.208 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -3.292 1.992 -16.169 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -5.233 2.167 -17.379 1.00 2.43 N ATOM 0 H ARG A 120 -8.867 1.133 -12.633 1.00 0.49 H new ATOM 0 HA ARG A 120 -6.933 0.385 -14.648 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -6.976 0.390 -11.605 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -5.622 -0.275 -12.497 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.578 2.609 -12.807 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.332 2.123 -11.674 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -4.121 2.900 -13.563 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -4.052 1.155 -13.706 1.00 0.52 H new ATOM 0 HE ARG A 120 -6.336 2.171 -15.149 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -2.811 1.931 -15.271 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -2.756 1.982 -17.037 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -6.250 2.241 -17.416 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -4.691 2.157 -18.243 1.00 2.43 H new ATOM 1897 N VAL A 121 -8.189 -2.071 -12.700 1.00 0.48 N ATOM 1898 CA VAL A 121 -8.425 -3.561 -12.711 1.00 0.51 C ATOM 1899 C VAL A 121 -9.805 -3.994 -13.332 1.00 0.56 C ATOM 1900 O VAL A 121 -9.864 -5.027 -14.006 1.00 0.62 O ATOM 1901 CB VAL A 121 -8.188 -4.327 -11.319 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -6.706 -4.720 -11.152 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -8.647 -3.567 -10.039 1.00 0.93 C ATOM 0 H VAL A 121 -8.541 -1.588 -11.874 1.00 0.48 H new ATOM 0 HA VAL A 121 -7.628 -3.889 -13.378 1.00 0.51 H new ATOM 0 HB VAL A 121 -8.829 -5.205 -11.397 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -6.572 -5.237 -10.202 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -6.410 -5.378 -11.969 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -6.088 -3.823 -11.167 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -8.439 -4.177 -9.160 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -8.106 -2.624 -9.962 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -9.717 -3.368 -10.098 1.00 0.93 H new ATOM 1913 N GLY A 122 -10.894 -3.211 -13.105 1.00 0.57 N ATOM 1914 CA GLY A 122 -12.220 -3.555 -13.662 1.00 0.63 C ATOM 1915 C GLY A 122 -13.228 -4.042 -12.616 1.00 0.66 C ATOM 1916 O GLY A 122 -14.187 -3.339 -12.289 1.00 0.85 O ATOM 0 H GLY A 122 -10.877 -2.355 -12.551 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -12.629 -2.679 -14.166 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -12.095 -4.329 -14.419 1.00 0.63 H new ATOM 1920 N HIS A 123 -12.987 -5.264 -12.106 1.00 0.72 N ATOM 1921 CA HIS A 123 -13.827 -5.918 -11.077 1.00 0.87 C ATOM 1922 C HIS A 123 -13.171 -5.854 -9.671 1.00 0.73 C ATOM 1923 O HIS A 123 -12.037 -5.374 -9.523 1.00 1.34 O ATOM 1924 CB HIS A 123 -14.096 -7.382 -11.469 1.00 1.38 C ATOM 1925 CG HIS A 123 -15.179 -7.557 -12.498 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -14.920 -7.801 -13.831 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -16.529 -7.521 -12.381 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -16.063 -7.906 -14.488 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -17.052 -7.740 -13.631 1.00 3.01 N ATOM 0 H HIS A 123 -12.194 -5.835 -12.399 1.00 0.72 H new ATOM 0 HA HIS A 123 -14.771 -5.376 -11.026 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -13.174 -7.819 -11.851 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -14.367 -7.942 -10.574 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -17.089 -7.352 -11.473 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -16.169 -8.095 -15.546 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -18.045 -7.770 -13.860 1.00 3.01 H new ATOM 1938 N SER A 124 -13.907 -6.320 -8.624 1.00 0.86 N ATOM 1939 CA SER A 124 -13.420 -6.311 -7.206 1.00 0.70 C ATOM 1940 C SER A 124 -12.373 -7.423 -6.892 1.00 0.99 C ATOM 1941 O SER A 124 -12.697 -8.486 -6.351 1.00 2.08 O ATOM 1942 CB SER A 124 -14.604 -6.439 -6.234 1.00 0.73 C ATOM 1943 OG SER A 124 -15.408 -5.268 -6.226 1.00 1.20 O ATOM 0 H SER A 124 -14.844 -6.709 -8.732 1.00 0.86 H new ATOM 0 HA SER A 124 -12.915 -5.354 -7.072 1.00 0.70 H new ATOM 0 HB2 SER A 124 -15.214 -7.297 -6.515 1.00 0.73 H new ATOM 0 HB3 SER A 124 -14.230 -6.630 -5.228 1.00 0.73 H new ATOM 0 HG SER A 124 -16.151 -5.386 -5.599 1.00 1.20 H new ATOM 1949 N THR A 125 -11.112 -7.131 -7.266 1.00 0.56 N ATOM 1950 CA THR A 125 -9.952 -8.039 -7.064 1.00 0.51 C ATOM 1951 C THR A 125 -8.805 -7.254 -6.340 1.00 0.48 C ATOM 1952 O THR A 125 -9.073 -6.513 -5.386 1.00 0.51 O ATOM 1953 CB THR A 125 -9.429 -8.691 -8.423 1.00 0.55 C ATOM 1954 OG1 THR A 125 -9.105 -7.684 -9.408 1.00 0.62 O ATOM 1955 CG2 THR A 125 -10.418 -9.694 -9.084 1.00 0.62 C ATOM 0 H THR A 125 -10.862 -6.253 -7.721 1.00 0.56 H new ATOM 0 HA THR A 125 -10.283 -8.871 -6.442 1.00 0.51 H new ATOM 0 HB THR A 125 -8.541 -9.244 -8.117 1.00 0.55 H new ATOM 0 HG1 THR A 125 -8.786 -8.118 -10.227 1.00 0.62 H new ATOM 0 HG21 THR A 125 -9.979 -10.087 -10.001 1.00 0.62 H new ATOM 0 HG22 THR A 125 -10.617 -10.516 -8.396 1.00 0.62 H new ATOM 0 HG23 THR A 125 -11.352 -9.183 -9.318 1.00 0.62 H new ATOM 1963 N ALA A 126 -7.525 -7.430 -6.775 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.379 -6.716 -6.163 1.00 0.43 C ATOM 1965 C ALA A 126 -5.685 -5.697 -7.114 1.00 0.38 C ATOM 1966 O ALA A 126 -5.329 -6.018 -8.262 1.00 0.41 O ATOM 1967 CB ALA A 126 -5.324 -7.734 -5.640 1.00 0.46 C ATOM 0 H ALA A 126 -7.268 -8.055 -7.539 1.00 0.46 H new ATOM 0 HA ALA A 126 -6.799 -6.139 -5.339 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -4.488 -7.195 -5.193 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -5.782 -8.380 -4.890 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -4.962 -8.341 -6.470 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.525 -4.435 -6.624 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.789 -3.383 -7.360 1.00 0.32 C ATOM 1975 C HIS A 127 -3.420 -3.168 -6.667 1.00 0.31 C ATOM 1976 O HIS A 127 -3.360 -2.927 -5.463 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.585 -2.060 -7.407 1.00 0.32 C ATOM 1978 CG HIS A 127 -5.034 -1.035 -8.379 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -4.395 -1.373 -9.560 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.984 0.321 -8.312 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.979 -0.276 -10.165 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -4.325 0.762 -9.431 1.00 0.38 N ATOM 0 H HIS A 127 -5.897 -4.129 -5.725 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.643 -3.704 -8.391 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.618 -2.280 -7.676 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.602 -1.624 -6.408 1.00 0.32 H new ATOM 0 HD1 HIS A 127 -4.266 -2.323 -9.909 1.00 0.35 H new ATOM 0 HD2 HIS A 127 -5.389 0.938 -7.523 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -3.445 -0.236 -11.103 1.00 0.38 H new ATOM 1991 N ASP A 128 -2.328 -3.249 -7.433 1.00 0.32 N ATOM 1992 CA ASP A 128 -0.974 -3.129 -6.852 1.00 0.33 C ATOM 1993 C ASP A 128 -0.020 -2.280 -7.697 1.00 0.30 C ATOM 1994 O ASP A 128 0.041 -2.406 -8.927 1.00 0.42 O ATOM 1995 CB ASP A 128 -0.339 -4.525 -6.658 1.00 0.45 C ATOM 1996 CG ASP A 128 -0.553 -5.119 -5.268 1.00 1.70 C ATOM 1997 OD1 ASP A 128 0.058 -4.608 -4.306 1.00 2.50 O ATOM 1998 OD2 ASP A 128 -1.333 -6.086 -5.147 1.00 2.10 O ATOM 0 H ASP A 128 -2.346 -3.395 -8.442 1.00 0.32 H new ATOM 0 HA ASP A 128 -1.112 -2.627 -5.894 1.00 0.33 H new ATOM 0 HB2 ASP A 128 -0.753 -5.207 -7.401 1.00 0.45 H new ATOM 0 HB3 ASP A 128 0.732 -4.455 -6.851 1.00 0.45 H new ATOM 2003 N GLU A 129 0.738 -1.420 -6.998 1.00 0.25 N ATOM 2004 CA GLU A 129 1.746 -0.564 -7.635 1.00 0.30 C ATOM 2005 C GLU A 129 3.155 -0.842 -7.065 1.00 0.27 C ATOM 2006 O GLU A 129 3.354 -0.945 -5.835 1.00 0.25 O ATOM 2007 CB GLU A 129 1.390 0.927 -7.468 1.00 0.43 C ATOM 2008 CG GLU A 129 1.921 1.851 -8.585 1.00 0.91 C ATOM 2009 CD GLU A 129 1.138 1.721 -9.884 1.00 0.76 C ATOM 2010 OE1 GLU A 129 0.027 2.287 -9.967 1.00 1.56 O ATOM 2011 OE2 GLU A 129 1.636 1.052 -10.814 1.00 1.12 O ATOM 0 H GLU A 129 0.670 -1.300 -5.987 1.00 0.25 H new ATOM 0 HA GLU A 129 1.753 -0.802 -8.699 1.00 0.30 H new ATOM 0 HB2 GLU A 129 0.305 1.024 -7.422 1.00 0.43 H new ATOM 0 HB3 GLU A 129 1.782 1.274 -6.512 1.00 0.43 H new ATOM 0 HG2 GLU A 129 1.880 2.885 -8.244 1.00 0.91 H new ATOM 0 HG3 GLU A 129 2.969 1.619 -8.774 1.00 0.91 H new ATOM 2018 N ILE A 130 4.120 -0.954 -8.002 1.00 0.28 N ATOM 2019 CA ILE A 130 5.544 -1.225 -7.700 1.00 0.28 C ATOM 2020 C ILE A 130 6.410 0.009 -8.087 1.00 0.29 C ATOM 2021 O ILE A 130 6.514 0.375 -9.263 1.00 0.39 O ATOM 2022 CB ILE A 130 6.096 -2.524 -8.443 1.00 0.31 C ATOM 2023 CG1 ILE A 130 4.953 -3.477 -8.920 1.00 0.37 C ATOM 2024 CG2 ILE A 130 7.088 -3.331 -7.548 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.571 -3.347 -10.395 1.00 0.45 C ATOM 0 H ILE A 130 3.932 -0.858 -9.000 1.00 0.28 H new ATOM 0 HA ILE A 130 5.613 -1.413 -6.629 1.00 0.28 H new ATOM 0 HB ILE A 130 6.624 -2.151 -9.320 1.00 0.31 H new ATOM 0 HG12 ILE A 130 5.256 -4.506 -8.729 1.00 0.37 H new ATOM 0 HG13 ILE A 130 4.067 -3.288 -8.314 1.00 0.37 H new ATOM 0 HG21 ILE A 130 7.439 -4.207 -8.093 1.00 0.37 H new ATOM 0 HG22 ILE A 130 7.938 -2.701 -7.287 1.00 0.37 H new ATOM 0 HG23 ILE A 130 6.580 -3.650 -6.638 1.00 0.37 H new ATOM 0 HD11 ILE A 130 3.770 -4.049 -10.627 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.231 -2.331 -10.595 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.439 -3.568 -11.016 1.00 0.45 H new ATOM 2037 N ILE A 131 7.025 0.620 -7.062 1.00 0.21 N ATOM 2038 CA ILE A 131 7.869 1.816 -7.228 1.00 0.26 C ATOM 2039 C ILE A 131 9.288 1.570 -6.595 1.00 0.18 C ATOM 2040 O ILE A 131 9.460 1.804 -5.389 1.00 0.18 O ATOM 2041 CB ILE A 131 7.190 3.108 -6.570 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.629 3.087 -6.688 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.716 4.436 -7.206 1.00 0.62 C ATOM 2044 CD1 ILE A 131 4.872 2.881 -5.375 1.00 0.84 C ATOM 0 H ILE A 131 6.952 0.300 -6.096 1.00 0.21 H new ATOM 0 HA ILE A 131 7.979 2.002 -8.296 1.00 0.26 H new ATOM 0 HB ILE A 131 7.469 3.074 -5.517 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.303 4.028 -7.131 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.345 2.294 -7.379 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.228 5.286 -6.729 1.00 0.62 H new ATOM 0 HG22 ILE A 131 8.794 4.507 -7.060 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.493 4.442 -8.273 1.00 0.62 H new ATOM 0 HD11 ILE A 131 3.799 2.883 -5.569 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.160 1.926 -4.935 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.117 3.687 -4.684 1.00 0.84 H new ATOM 2056 N PRO A 132 10.322 1.050 -7.375 1.00 0.13 N ATOM 2057 CA PRO A 132 11.726 0.868 -6.862 1.00 0.09 C ATOM 2058 C PRO A 132 12.513 2.193 -6.719 1.00 0.08 C ATOM 2059 O PRO A 132 12.466 3.059 -7.597 1.00 0.16 O ATOM 2060 CB PRO A 132 12.403 -0.023 -7.925 1.00 0.13 C ATOM 2061 CG PRO A 132 11.261 -0.630 -8.684 1.00 0.16 C ATOM 2062 CD PRO A 132 10.208 0.466 -8.736 1.00 0.16 C ATOM 0 HA PRO A 132 11.710 0.440 -5.860 1.00 0.09 H new ATOM 0 HB2 PRO A 132 13.050 0.561 -8.580 1.00 0.13 H new ATOM 0 HB3 PRO A 132 13.025 -0.789 -7.463 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.567 -0.933 -9.685 1.00 0.16 H new ATOM 0 HG3 PRO A 132 10.881 -1.521 -8.183 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.416 1.199 -9.516 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.212 0.069 -8.930 1.00 0.16 H new ATOM 2070 N ILE A 133 13.228 2.312 -5.593 1.00 0.07 N ATOM 2071 CA ILE A 133 14.005 3.517 -5.238 1.00 0.08 C ATOM 2072 C ILE A 133 15.527 3.183 -5.097 1.00 0.08 C ATOM 2073 O ILE A 133 15.917 2.062 -4.749 1.00 0.10 O ATOM 2074 CB ILE A 133 13.434 4.156 -3.888 1.00 0.15 C ATOM 2075 CG1 ILE A 133 11.872 4.006 -3.809 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.817 5.665 -3.736 1.00 0.30 C ATOM 2077 CD1 ILE A 133 11.288 3.711 -2.422 1.00 0.38 C ATOM 0 H ILE A 133 13.287 1.571 -4.894 1.00 0.07 H new ATOM 0 HA ILE A 133 13.901 4.246 -6.042 1.00 0.08 H new ATOM 0 HB ILE A 133 13.895 3.604 -3.069 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.421 4.925 -4.182 1.00 0.23 H new ATOM 0 HG13 ILE A 133 11.570 3.206 -4.485 1.00 0.23 H new ATOM 0 HG21 ILE A 133 13.406 6.053 -2.804 1.00 0.30 H new ATOM 0 HG22 ILE A 133 14.902 5.765 -3.724 1.00 0.30 H new ATOM 0 HG23 ILE A 133 13.410 6.230 -4.575 1.00 0.30 H new ATOM 0 HD11 ILE A 133 10.203 3.629 -2.494 1.00 0.38 H new ATOM 0 HD12 ILE A 133 11.699 2.774 -2.046 1.00 0.38 H new ATOM 0 HD13 ILE A 133 11.546 4.520 -1.739 1.00 0.38 H new ATOM 2089 N SER A 134 16.364 4.198 -5.373 1.00 0.10 N ATOM 2090 CA SER A 134 17.821 4.065 -5.266 1.00 0.12 C ATOM 2091 C SER A 134 18.454 5.270 -4.531 1.00 0.13 C ATOM 2092 O SER A 134 18.510 6.386 -5.059 1.00 0.15 O ATOM 2093 CB SER A 134 18.473 3.849 -6.667 1.00 0.15 C ATOM 2094 OG SER A 134 18.053 4.810 -7.639 1.00 1.31 O ATOM 0 H SER A 134 16.051 5.122 -5.673 1.00 0.10 H new ATOM 0 HA SER A 134 18.022 3.178 -4.665 1.00 0.12 H new ATOM 0 HB2 SER A 134 19.557 3.894 -6.566 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.227 2.849 -7.025 1.00 0.15 H new ATOM 0 HG SER A 134 18.495 4.625 -8.494 1.00 1.31 H new ATOM 2100 N ILE A 135 18.921 5.011 -3.292 1.00 0.13 N ATOM 2101 CA ILE A 135 19.590 6.025 -2.441 1.00 0.15 C ATOM 2102 C ILE A 135 21.114 5.673 -2.356 1.00 0.18 C ATOM 2103 O ILE A 135 21.485 4.566 -1.949 1.00 0.18 O ATOM 2104 CB ILE A 135 18.895 6.126 -0.994 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.357 6.314 -1.117 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.477 7.263 -0.075 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.521 5.352 -0.263 1.00 0.15 C ATOM 0 H ILE A 135 18.846 4.094 -2.851 1.00 0.13 H new ATOM 0 HA ILE A 135 19.485 7.015 -2.886 1.00 0.15 H new ATOM 0 HB ILE A 135 19.123 5.175 -0.513 1.00 0.16 H new ATOM 0 HG12 ILE A 135 17.107 7.337 -0.837 1.00 0.13 H new ATOM 0 HG13 ILE A 135 17.072 6.191 -2.162 1.00 0.13 H new ATOM 0 HG21 ILE A 135 18.953 7.262 0.881 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.539 7.087 0.093 1.00 0.25 H new ATOM 0 HG23 ILE A 135 19.342 8.229 -0.562 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.461 5.558 -0.414 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.736 4.324 -0.556 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.771 5.489 0.789 1.00 0.15 H new ATOM 2119 N LYS A 136 21.962 6.641 -2.764 1.00 0.20 N ATOM 2120 CA LYS A 136 23.433 6.479 -2.759 1.00 0.23 C ATOM 2121 C LYS A 136 24.126 7.777 -2.340 1.00 0.28 C ATOM 2122 O LYS A 136 23.807 8.864 -2.847 1.00 0.29 O ATOM 2123 CB LYS A 136 23.933 6.042 -4.148 1.00 0.22 C ATOM 2124 CG LYS A 136 23.582 4.582 -4.491 1.00 0.25 C ATOM 2125 CD LYS A 136 23.784 4.249 -5.986 1.00 0.94 C ATOM 2126 CE LYS A 136 23.513 2.765 -6.291 1.00 1.23 C ATOM 2127 NZ LYS A 136 24.475 1.869 -5.588 1.00 2.05 N ATOM 0 H LYS A 136 21.650 7.551 -3.104 1.00 0.20 H new ATOM 0 HA LYS A 136 23.681 5.705 -2.033 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.503 6.699 -4.904 1.00 0.22 H new ATOM 0 HB3 LYS A 136 25.015 6.169 -4.193 1.00 0.22 H new ATOM 0 HG2 LYS A 136 24.199 3.915 -3.889 1.00 0.25 H new ATOM 0 HG3 LYS A 136 22.544 4.390 -4.218 1.00 0.25 H new ATOM 0 HD2 LYS A 136 23.120 4.869 -6.588 1.00 0.94 H new ATOM 0 HD3 LYS A 136 24.804 4.498 -6.278 1.00 0.94 H new ATOM 0 HE2 LYS A 136 22.496 2.512 -5.991 1.00 1.23 H new ATOM 0 HE3 LYS A 136 23.579 2.597 -7.366 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 24.407 0.909 -5.982 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 25.442 2.228 -5.717 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 24.248 1.844 -4.573 1.00 2.05 H new ATOM 2141 N LYS A 137 25.059 7.653 -1.347 1.00 0.33 N ATOM 2142 CA LYS A 137 25.858 8.796 -0.754 1.00 0.40 C ATOM 2143 C LYS A 137 25.006 9.821 0.071 1.00 0.39 C ATOM 2144 O LYS A 137 25.471 10.921 0.386 1.00 0.42 O ATOM 2145 CB LYS A 137 26.655 9.545 -1.851 1.00 0.44 C ATOM 2146 CG LYS A 137 27.723 8.679 -2.563 1.00 0.99 C ATOM 2147 CD LYS A 137 28.395 9.395 -3.764 1.00 1.59 C ATOM 2148 CE LYS A 137 27.532 9.365 -5.044 1.00 2.70 C ATOM 2149 NZ LYS A 137 27.248 7.973 -5.493 1.00 3.55 N ATOM 0 H LYS A 137 25.287 6.752 -0.926 1.00 0.33 H new ATOM 0 HA LYS A 137 26.542 8.325 -0.049 1.00 0.40 H new ATOM 0 HB2 LYS A 137 25.956 9.925 -2.596 1.00 0.44 H new ATOM 0 HB3 LYS A 137 27.145 10.409 -1.402 1.00 0.44 H new ATOM 0 HG2 LYS A 137 28.490 8.396 -1.842 1.00 0.99 H new ATOM 0 HG3 LYS A 137 27.259 7.757 -2.913 1.00 0.99 H new ATOM 0 HD2 LYS A 137 28.599 10.431 -3.494 1.00 1.59 H new ATOM 0 HD3 LYS A 137 29.356 8.924 -3.969 1.00 1.59 H new ATOM 0 HE2 LYS A 137 26.592 9.885 -4.860 1.00 2.70 H new ATOM 0 HE3 LYS A 137 28.045 9.905 -5.840 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 27.008 7.977 -6.505 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 28.088 7.380 -5.338 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 26.449 7.589 -4.949 1.00 3.55 H new ATOM 2163 N GLY A 138 23.761 9.417 0.418 1.00 0.35 N ATOM 2164 CA GLY A 138 22.818 10.263 1.154 1.00 0.36 C ATOM 2165 C GLY A 138 21.764 10.983 0.277 1.00 0.33 C ATOM 2166 O GLY A 138 21.138 11.935 0.750 1.00 0.37 O ATOM 0 H GLY A 138 23.391 8.494 0.191 1.00 0.35 H new ATOM 0 HA2 GLY A 138 22.299 9.648 1.889 1.00 0.36 H new ATOM 0 HA3 GLY A 138 23.382 11.014 1.708 1.00 0.36 H new ATOM 2170 N LYS A 139 21.563 10.537 -0.999 1.00 0.29 N ATOM 2171 CA LYS A 139 20.570 11.176 -1.893 1.00 0.29 C ATOM 2172 C LYS A 139 19.571 10.174 -2.497 1.00 0.26 C ATOM 2173 O LYS A 139 19.916 9.029 -2.791 1.00 0.25 O ATOM 2174 CB LYS A 139 21.256 11.938 -3.031 1.00 0.33 C ATOM 2175 CG LYS A 139 22.248 13.030 -2.581 1.00 0.65 C ATOM 2176 CD LYS A 139 22.822 13.835 -3.769 1.00 0.67 C ATOM 2177 CE LYS A 139 23.815 14.914 -3.314 1.00 1.00 C ATOM 2178 NZ LYS A 139 24.293 15.738 -4.458 1.00 1.56 N ATOM 0 H LYS A 139 22.067 9.755 -1.417 1.00 0.29 H new ATOM 0 HA LYS A 139 20.014 11.870 -1.262 1.00 0.29 H new ATOM 0 HB2 LYS A 139 21.787 11.222 -3.658 1.00 0.33 H new ATOM 0 HB3 LYS A 139 20.489 12.399 -3.653 1.00 0.33 H new ATOM 0 HG2 LYS A 139 21.746 13.711 -1.894 1.00 0.65 H new ATOM 0 HG3 LYS A 139 23.067 12.567 -2.030 1.00 0.65 H new ATOM 0 HD2 LYS A 139 23.319 13.154 -4.460 1.00 0.67 H new ATOM 0 HD3 LYS A 139 22.004 14.304 -4.316 1.00 0.67 H new ATOM 0 HE2 LYS A 139 23.339 15.558 -2.575 1.00 1.00 H new ATOM 0 HE3 LYS A 139 24.667 14.442 -2.824 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 24.962 16.456 -4.113 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 24.769 15.126 -5.151 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 23.483 16.208 -4.910 1.00 1.56 H new ATOM 2192 N LEU A 140 18.344 10.663 -2.777 1.00 0.25 N ATOM 2193 CA LEU A 140 17.241 9.829 -3.299 1.00 0.24 C ATOM 2194 C LEU A 140 17.017 9.983 -4.820 1.00 0.26 C ATOM 2195 O LEU A 140 17.056 11.086 -5.369 1.00 0.34 O ATOM 2196 CB LEU A 140 15.939 10.210 -2.553 1.00 0.24 C ATOM 2197 CG LEU A 140 14.846 9.113 -2.376 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.327 9.065 -0.942 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.673 9.343 -3.315 1.00 0.25 C ATOM 0 H LEU A 140 18.091 11.643 -2.648 1.00 0.25 H new ATOM 0 HA LEU A 140 17.515 8.788 -3.128 1.00 0.24 H new ATOM 0 HB2 LEU A 140 16.216 10.568 -1.561 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.486 11.050 -3.080 1.00 0.24 H new ATOM 0 HG LEU A 140 15.320 8.162 -2.617 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.567 8.289 -0.856 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.151 8.842 -0.264 1.00 0.22 H new ATOM 0 HD13 LEU A 140 13.892 10.030 -0.680 1.00 0.22 H new ATOM 0 HD21 LEU A 140 12.929 8.561 -3.166 1.00 0.25 H new ATOM 0 HD22 LEU A 140 13.225 10.314 -3.106 1.00 0.25 H new ATOM 0 HD23 LEU A 140 14.023 9.319 -4.347 1.00 0.25 H new ATOM 2211 N SER A 141 16.760 8.844 -5.475 1.00 0.21 N ATOM 2212 CA SER A 141 16.486 8.801 -6.916 1.00 0.22 C ATOM 2213 C SER A 141 15.174 8.041 -7.191 1.00 0.19 C ATOM 2214 O SER A 141 15.085 6.823 -6.973 1.00 0.16 O ATOM 2215 CB SER A 141 17.653 8.142 -7.666 1.00 0.25 C ATOM 2216 OG SER A 141 17.998 8.873 -8.833 1.00 0.64 O ATOM 0 H SER A 141 16.736 7.930 -5.023 1.00 0.21 H new ATOM 0 HA SER A 141 16.377 9.824 -7.277 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.519 8.075 -7.008 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.382 7.123 -7.940 1.00 0.25 H new ATOM 0 HG SER A 141 18.745 8.430 -9.288 1.00 0.64 H new ATOM 2222 N VAL A 142 14.157 8.788 -7.670 1.00 0.21 N ATOM 2223 CA VAL A 142 12.826 8.227 -7.988 1.00 0.22 C ATOM 2224 C VAL A 142 12.613 8.192 -9.566 1.00 0.25 C ATOM 2225 O VAL A 142 12.171 9.173 -10.171 1.00 0.26 O ATOM 2226 CB VAL A 142 11.651 8.982 -7.120 1.00 0.27 C ATOM 2227 CG1 VAL A 142 11.349 10.456 -7.506 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.330 8.183 -7.097 1.00 0.41 C ATOM 0 H VAL A 142 14.234 9.790 -7.846 1.00 0.21 H new ATOM 0 HA VAL A 142 12.760 7.186 -7.672 1.00 0.22 H new ATOM 0 HB VAL A 142 12.090 9.018 -6.123 1.00 0.27 H new ATOM 0 HG11 VAL A 142 10.558 10.845 -6.865 1.00 0.46 H new ATOM 0 HG12 VAL A 142 12.249 11.057 -7.378 1.00 0.46 H new ATOM 0 HG13 VAL A 142 11.028 10.501 -8.547 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.587 8.725 -6.511 1.00 0.41 H new ATOM 0 HG22 VAL A 142 9.965 8.054 -8.116 1.00 0.41 H new ATOM 0 HG23 VAL A 142 10.504 7.205 -6.648 1.00 0.41 H new ATOM 2238 N GLN A 143 12.963 7.028 -10.201 1.00 0.31 N ATOM 2239 CA GLN A 143 12.844 6.771 -11.689 1.00 0.39 C ATOM 2240 C GLN A 143 13.779 7.670 -12.561 1.00 0.41 C ATOM 2241 O GLN A 143 14.876 7.249 -12.940 1.00 0.46 O ATOM 2242 CB GLN A 143 11.367 6.888 -12.185 1.00 0.44 C ATOM 2243 CG GLN A 143 10.450 5.678 -11.876 1.00 0.65 C ATOM 2244 CD GLN A 143 9.794 5.759 -10.509 1.00 0.87 C ATOM 2245 OE1 GLN A 143 8.692 6.288 -10.368 1.00 1.56 O ATOM 2246 NE2 GLN A 143 10.472 5.232 -9.495 1.00 1.12 N ATOM 0 H GLN A 143 13.341 6.228 -9.694 1.00 0.31 H new ATOM 0 HA GLN A 143 13.181 5.743 -11.823 1.00 0.39 H new ATOM 0 HB2 GLN A 143 10.924 7.778 -11.738 1.00 0.44 H new ATOM 0 HB3 GLN A 143 11.378 7.044 -13.264 1.00 0.44 H new ATOM 0 HG2 GLN A 143 9.676 5.613 -12.640 1.00 0.65 H new ATOM 0 HG3 GLN A 143 11.036 4.761 -11.937 1.00 0.65 H new ATOM 0 HE21 GLN A 143 11.383 4.803 -9.659 1.00 1.12 H new ATOM 0 HE22 GLN A 143 10.081 5.256 -8.553 1.00 1.12 H new ATOM 2255 N GLY A 144 13.312 8.900 -12.857 1.00 0.40 N ATOM 2256 CA GLY A 144 14.088 9.872 -13.631 1.00 0.45 C ATOM 2257 C GLY A 144 14.179 11.266 -12.972 1.00 0.42 C ATOM 2258 O GLY A 144 14.357 12.265 -13.672 1.00 0.49 O ATOM 0 H GLY A 144 12.395 9.239 -12.567 1.00 0.40 H new ATOM 0 HA2 GLY A 144 15.096 9.484 -13.778 1.00 0.45 H new ATOM 0 HA3 GLY A 144 13.640 9.976 -14.619 1.00 0.45 H new ATOM 2262 N GLU A 145 14.054 11.324 -11.621 1.00 0.33 N ATOM 2263 CA GLU A 145 14.138 12.581 -10.857 1.00 0.32 C ATOM 2264 C GLU A 145 15.079 12.405 -9.652 1.00 0.27 C ATOM 2265 O GLU A 145 14.825 11.585 -8.764 1.00 0.36 O ATOM 2266 CB GLU A 145 12.729 13.024 -10.383 1.00 0.37 C ATOM 2267 CG GLU A 145 12.545 14.546 -10.257 1.00 0.80 C ATOM 2268 CD GLU A 145 11.172 14.922 -9.735 1.00 1.16 C ATOM 2269 OE1 GLU A 145 10.171 14.609 -10.412 1.00 1.53 O ATOM 2270 OE2 GLU A 145 11.098 15.527 -8.645 1.00 1.82 O ATOM 0 H GLU A 145 13.893 10.501 -11.040 1.00 0.33 H new ATOM 0 HA GLU A 145 14.541 13.358 -11.506 1.00 0.32 H new ATOM 0 HB2 GLU A 145 11.987 12.638 -11.082 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.525 12.565 -9.416 1.00 0.37 H new ATOM 0 HG2 GLU A 145 13.307 14.947 -9.589 1.00 0.80 H new ATOM 0 HG3 GLU A 145 12.700 15.010 -11.231 1.00 0.80 H new ATOM 2277 N VAL A 146 16.161 13.204 -9.622 1.00 0.30 N ATOM 2278 CA VAL A 146 17.174 13.125 -8.546 1.00 0.27 C ATOM 2279 C VAL A 146 17.071 14.336 -7.529 1.00 0.28 C ATOM 2280 O VAL A 146 16.988 15.507 -7.919 1.00 0.32 O ATOM 2281 CB VAL A 146 18.649 12.853 -9.183 1.00 0.31 C ATOM 2282 CG1 VAL A 146 19.357 14.073 -9.856 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.620 12.176 -8.179 1.00 0.72 C ATOM 0 H VAL A 146 16.359 13.912 -10.329 1.00 0.30 H new ATOM 0 HA VAL A 146 16.967 12.261 -7.914 1.00 0.27 H new ATOM 0 HB VAL A 146 18.416 12.167 -9.997 1.00 0.31 H new ATOM 0 HG11 VAL A 146 20.329 13.763 -10.240 1.00 1.02 H new ATOM 0 HG12 VAL A 146 18.743 14.442 -10.677 1.00 1.02 H new ATOM 0 HG13 VAL A 146 19.494 14.866 -9.120 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.587 12.019 -8.657 1.00 0.72 H new ATOM 0 HG22 VAL A 146 19.747 12.817 -7.307 1.00 0.72 H new ATOM 0 HG23 VAL A 146 19.209 11.216 -7.867 1.00 0.72 H new ATOM 2293 N SER A 147 17.074 13.985 -6.232 1.00 0.27 N ATOM 2294 CA SER A 147 16.999 14.946 -5.122 1.00 0.29 C ATOM 2295 C SER A 147 17.764 14.389 -3.904 1.00 0.29 C ATOM 2296 O SER A 147 18.389 13.325 -3.981 1.00 0.30 O ATOM 2297 CB SER A 147 15.532 15.227 -4.746 1.00 0.31 C ATOM 2298 OG SER A 147 14.986 16.276 -5.532 1.00 0.56 O ATOM 0 H SER A 147 17.129 13.015 -5.923 1.00 0.27 H new ATOM 0 HA SER A 147 17.456 15.884 -5.436 1.00 0.29 H new ATOM 0 HB2 SER A 147 14.940 14.322 -4.883 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.470 15.491 -3.690 1.00 0.31 H new ATOM 0 HG SER A 147 15.425 16.291 -6.408 1.00 0.56 H new ATOM 2304 N THR A 148 17.765 15.124 -2.784 1.00 0.30 N ATOM 2305 CA THR A 148 18.456 14.649 -1.565 1.00 0.31 C ATOM 2306 C THR A 148 17.476 14.088 -0.463 1.00 0.27 C ATOM 2307 O THR A 148 16.409 14.656 -0.204 1.00 0.32 O ATOM 2308 CB THR A 148 19.545 15.702 -1.021 1.00 0.44 C ATOM 2309 OG1 THR A 148 20.296 15.154 0.078 1.00 1.25 O ATOM 2310 CG2 THR A 148 18.994 17.088 -0.596 1.00 0.99 C ATOM 0 H THR A 148 17.308 16.031 -2.690 1.00 0.30 H new ATOM 0 HA THR A 148 19.036 13.776 -1.864 1.00 0.31 H new ATOM 0 HB THR A 148 20.179 15.877 -1.890 1.00 0.44 H new ATOM 0 HG1 THR A 148 20.951 15.814 0.388 1.00 1.25 H new ATOM 0 HG21 THR A 148 19.815 17.714 -0.247 1.00 0.99 H new ATOM 0 HG22 THR A 148 18.511 17.565 -1.449 1.00 0.99 H new ATOM 0 HG23 THR A 148 18.268 16.960 0.207 1.00 0.99 H new ATOM 2318 N PHE A 149 17.896 12.957 0.169 1.00 0.26 N ATOM 2319 CA PHE A 149 17.139 12.276 1.266 1.00 0.24 C ATOM 2320 C PHE A 149 17.399 12.953 2.635 1.00 0.24 C ATOM 2321 O PHE A 149 18.552 13.046 3.077 1.00 0.29 O ATOM 2322 CB PHE A 149 17.555 10.769 1.349 1.00 0.23 C ATOM 2323 CG PHE A 149 16.930 9.982 2.521 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.548 9.779 2.607 1.00 0.22 C ATOM 2325 CD2 PHE A 149 17.725 9.490 3.566 1.00 0.24 C ATOM 2326 CE1 PHE A 149 14.990 9.123 3.683 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.161 8.824 4.636 1.00 0.26 C ATOM 2328 CZ PHE A 149 15.795 8.645 4.696 1.00 0.25 C ATOM 0 H PHE A 149 18.771 12.488 -0.066 1.00 0.26 H new ATOM 0 HA PHE A 149 16.077 12.356 1.036 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.279 10.280 0.415 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.640 10.711 1.431 1.00 0.23 H new ATOM 0 HD1 PHE A 149 14.908 10.143 1.817 1.00 0.22 H new ATOM 0 HD2 PHE A 149 18.795 9.634 3.533 1.00 0.24 H new ATOM 0 HE1 PHE A 149 13.920 8.983 3.733 1.00 0.24 H new ATOM 0 HE2 PHE A 149 17.790 8.443 5.427 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.355 8.130 5.537 1.00 0.25 H new ATOM 2338 N THR A 150 16.322 13.409 3.300 1.00 0.25 N ATOM 2339 CA THR A 150 16.485 14.070 4.618 1.00 0.30 C ATOM 2340 C THR A 150 15.641 13.408 5.727 1.00 0.40 C ATOM 2341 O THR A 150 14.487 13.781 5.959 1.00 1.15 O ATOM 2342 CB THR A 150 16.168 15.619 4.589 1.00 0.66 C ATOM 2343 OG1 THR A 150 15.158 15.942 3.610 1.00 1.42 O ATOM 2344 CG2 THR A 150 17.426 16.475 4.316 1.00 1.18 C ATOM 0 H THR A 150 15.361 13.339 2.967 1.00 0.25 H new ATOM 0 HA THR A 150 17.542 13.941 4.850 1.00 0.30 H new ATOM 0 HB THR A 150 15.794 15.859 5.584 1.00 0.66 H new ATOM 0 HG1 THR A 150 14.987 16.907 3.622 1.00 1.42 H new ATOM 0 HG21 THR A 150 17.153 17.530 4.306 1.00 1.18 H new ATOM 0 HG22 THR A 150 18.163 16.298 5.099 1.00 1.18 H new ATOM 0 HG23 THR A 150 17.850 16.201 3.350 1.00 1.18 H new ATOM 2352 N GLY A 151 16.268 12.415 6.417 1.00 0.32 N ATOM 2353 CA GLY A 151 15.663 11.694 7.566 1.00 0.18 C ATOM 2354 C GLY A 151 14.573 10.638 7.291 1.00 0.20 C ATOM 2355 O GLY A 151 14.762 9.465 7.621 1.00 0.42 O ATOM 0 H GLY A 151 17.209 12.094 6.189 1.00 0.32 H new ATOM 0 HA2 GLY A 151 16.470 11.201 8.108 1.00 0.18 H new ATOM 0 HA3 GLY A 151 15.237 12.440 8.237 1.00 0.18 H new ATOM 2359 N LYS A 152 13.439 11.058 6.703 1.00 0.16 N ATOM 2360 CA LYS A 152 12.305 10.155 6.455 1.00 0.13 C ATOM 2361 C LYS A 152 11.723 10.267 5.024 1.00 0.13 C ATOM 2362 O LYS A 152 11.994 11.213 4.285 1.00 0.16 O ATOM 2363 CB LYS A 152 11.234 10.428 7.593 1.00 0.22 C ATOM 2364 CG LYS A 152 9.717 10.316 7.234 1.00 0.41 C ATOM 2365 CD LYS A 152 8.996 11.691 7.094 1.00 0.56 C ATOM 2366 CE LYS A 152 9.573 12.592 5.985 1.00 0.69 C ATOM 2367 NZ LYS A 152 10.819 13.287 6.414 1.00 1.10 N ATOM 0 H LYS A 152 13.285 12.017 6.391 1.00 0.16 H new ATOM 0 HA LYS A 152 12.642 9.120 6.501 1.00 0.13 H new ATOM 0 HB2 LYS A 152 11.433 9.733 8.409 1.00 0.22 H new ATOM 0 HB3 LYS A 152 11.410 11.432 7.979 1.00 0.22 H new ATOM 0 HG2 LYS A 152 9.615 9.767 6.298 1.00 0.41 H new ATOM 0 HG3 LYS A 152 9.214 9.730 8.004 1.00 0.41 H new ATOM 0 HD2 LYS A 152 7.939 11.516 6.893 1.00 0.56 H new ATOM 0 HD3 LYS A 152 9.056 12.220 8.045 1.00 0.56 H new ATOM 0 HE2 LYS A 152 9.782 11.989 5.101 1.00 0.69 H new ATOM 0 HE3 LYS A 152 8.827 13.333 5.697 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 10.853 14.234 5.986 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 10.828 13.375 7.450 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 11.647 12.738 6.106 1.00 1.10 H new ATOM 2381 N LEU A 153 10.933 9.229 4.677 1.00 0.12 N ATOM 2382 CA LEU A 153 10.189 9.107 3.393 1.00 0.13 C ATOM 2383 C LEU A 153 8.677 9.204 3.692 1.00 0.13 C ATOM 2384 O LEU A 153 8.202 8.548 4.628 1.00 0.18 O ATOM 2385 CB LEU A 153 10.504 7.745 2.735 1.00 0.15 C ATOM 2386 CG LEU A 153 10.792 7.710 1.203 1.00 0.34 C ATOM 2387 CD1 LEU A 153 11.645 6.499 0.840 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.505 7.668 0.376 1.00 0.67 C ATOM 0 H LEU A 153 10.787 8.429 5.293 1.00 0.12 H new ATOM 0 HA LEU A 153 10.487 9.904 2.712 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.370 7.322 3.245 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.663 7.080 2.930 1.00 0.15 H new ATOM 0 HG LEU A 153 11.329 8.629 0.968 1.00 0.34 H new ATOM 0 HD11 LEU A 153 11.833 6.495 -0.234 1.00 0.43 H new ATOM 0 HD12 LEU A 153 12.594 6.549 1.375 1.00 0.43 H new ATOM 0 HD13 LEU A 153 11.119 5.586 1.119 1.00 0.43 H new ATOM 0 HD21 LEU A 153 9.755 7.645 -0.685 1.00 0.67 H new ATOM 0 HD22 LEU A 153 8.935 6.775 0.634 1.00 0.67 H new ATOM 0 HD23 LEU A 153 8.907 8.554 0.588 1.00 0.67 H new ATOM 2400 N SER A 154 7.895 9.991 2.914 1.00 0.14 N ATOM 2401 CA SER A 154 6.469 10.118 3.260 1.00 0.16 C ATOM 2402 C SER A 154 5.486 9.697 2.155 1.00 0.19 C ATOM 2403 O SER A 154 5.550 10.163 1.027 1.00 0.36 O ATOM 2404 CB SER A 154 6.187 11.578 3.659 1.00 0.21 C ATOM 2405 OG SER A 154 5.059 11.702 4.521 1.00 0.24 O ATOM 0 H SER A 154 8.205 10.514 2.095 1.00 0.14 H new ATOM 0 HA SER A 154 6.297 9.422 4.081 1.00 0.16 H new ATOM 0 HB2 SER A 154 7.065 11.992 4.154 1.00 0.21 H new ATOM 0 HB3 SER A 154 6.019 12.171 2.760 1.00 0.21 H new ATOM 0 HG SER A 154 4.922 12.646 4.747 1.00 0.24 H new ATOM 2411 N VAL A 155 4.508 8.853 2.532 1.00 0.16 N ATOM 2412 CA VAL A 155 3.449 8.411 1.579 1.00 0.19 C ATOM 2413 C VAL A 155 2.146 9.158 1.981 1.00 0.25 C ATOM 2414 O VAL A 155 1.447 8.777 2.933 1.00 0.30 O ATOM 2415 CB VAL A 155 3.221 6.817 1.480 1.00 0.28 C ATOM 2416 CG1 VAL A 155 2.381 6.397 0.236 1.00 0.39 C ATOM 2417 CG2 VAL A 155 4.536 6.020 1.405 1.00 0.74 C ATOM 0 H VAL A 155 4.421 8.464 3.471 1.00 0.16 H new ATOM 0 HA VAL A 155 3.774 8.666 0.570 1.00 0.19 H new ATOM 0 HB VAL A 155 2.686 6.582 2.400 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.263 5.313 0.226 1.00 0.39 H new ATOM 0 HG12 VAL A 155 1.400 6.869 0.284 1.00 0.39 H new ATOM 0 HG13 VAL A 155 2.893 6.715 -0.673 1.00 0.39 H new ATOM 0 HG21 VAL A 155 4.313 4.955 1.340 1.00 0.74 H new ATOM 0 HG22 VAL A 155 5.098 6.327 0.523 1.00 0.74 H new ATOM 0 HG23 VAL A 155 5.130 6.213 2.299 1.00 0.74 H new ATOM 2427 N GLU A 156 1.878 10.232 1.221 1.00 0.28 N ATOM 2428 CA GLU A 156 0.724 11.109 1.441 1.00 0.36 C ATOM 2429 C GLU A 156 -0.263 11.053 0.279 1.00 0.34 C ATOM 2430 O GLU A 156 0.102 11.285 -0.877 1.00 0.38 O ATOM 2431 CB GLU A 156 1.213 12.561 1.620 1.00 0.53 C ATOM 2432 CG GLU A 156 0.634 13.304 2.827 1.00 0.73 C ATOM 2433 CD GLU A 156 1.080 14.753 2.882 1.00 1.26 C ATOM 2434 OE1 GLU A 156 2.146 15.025 3.473 1.00 1.66 O ATOM 2435 OE2 GLU A 156 0.363 15.618 2.334 1.00 1.67 O ATOM 0 H GLU A 156 2.461 10.515 0.433 1.00 0.28 H new ATOM 0 HA GLU A 156 0.209 10.764 2.337 1.00 0.36 H new ATOM 0 HB2 GLU A 156 2.300 12.553 1.707 1.00 0.53 H new ATOM 0 HB3 GLU A 156 0.970 13.122 0.718 1.00 0.53 H new ATOM 0 HG2 GLU A 156 -0.455 13.263 2.788 1.00 0.73 H new ATOM 0 HG3 GLU A 156 0.939 12.798 3.743 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.528 10.751 0.599 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.572 10.688 -0.426 1.00 0.40 C ATOM 2444 C PHE A 157 -3.656 11.757 -0.208 1.00 0.41 C ATOM 2445 O PHE A 157 -4.187 11.951 0.909 1.00 0.43 O ATOM 2446 CB PHE A 157 -3.167 9.268 -0.580 1.00 0.51 C ATOM 2447 CG PHE A 157 -3.610 8.582 0.709 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -2.703 7.860 1.475 1.00 0.99 C ATOM 2449 CD2 PHE A 157 -4.925 8.690 1.168 1.00 1.03 C ATOM 2450 CE1 PHE A 157 -3.088 7.264 2.659 1.00 1.55 C ATOM 2451 CE2 PHE A 157 -5.312 8.097 2.356 1.00 1.60 C ATOM 2452 CZ PHE A 157 -4.446 7.274 3.027 1.00 1.80 C ATOM 0 H PHE A 157 -1.848 10.549 1.546 1.00 0.35 H new ATOM 0 HA PHE A 157 -2.090 10.918 -1.376 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -4.025 9.326 -1.250 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -2.425 8.636 -1.067 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -1.681 7.764 1.139 1.00 0.99 H new ATOM 0 HD2 PHE A 157 -5.648 9.244 0.588 1.00 1.03 H new ATOM 0 HE1 PHE A 157 -2.354 6.794 3.297 1.00 1.55 H new ATOM 0 HE2 PHE A 157 -6.298 8.283 2.755 1.00 1.60 H new ATOM 0 HZ PHE A 157 -4.801 6.642 3.827 1.00 1.80 H new ATOM 2462 N VAL A 158 -3.949 12.440 -1.328 1.00 0.43 N ATOM 2463 CA VAL A 158 -4.924 13.567 -1.398 1.00 0.46 C ATOM 2464 C VAL A 158 -6.228 13.128 -2.136 1.00 0.48 C ATOM 2465 O VAL A 158 -6.199 12.358 -3.111 1.00 0.47 O ATOM 2466 CB VAL A 158 -4.354 14.912 -2.098 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -4.848 16.194 -1.381 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.810 15.011 -2.196 1.00 0.58 C ATOM 0 H VAL A 158 -3.515 12.230 -2.227 1.00 0.43 H new ATOM 0 HA VAL A 158 -5.131 13.817 -0.357 1.00 0.46 H new ATOM 0 HB VAL A 158 -4.750 14.838 -3.111 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -4.442 17.072 -1.884 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -5.937 16.231 -1.410 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -4.513 16.183 -0.344 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -2.535 15.948 -2.680 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -2.379 14.980 -1.195 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -2.428 14.175 -2.782 1.00 0.58 H new ATOM 2478 N LYS A 159 -7.361 13.677 -1.652 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.711 13.390 -2.192 1.00 0.56 C ATOM 2480 C LYS A 159 -9.195 14.428 -3.241 1.00 0.66 C ATOM 2481 O LYS A 159 -8.820 15.608 -3.201 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.758 13.274 -1.042 1.00 0.72 C ATOM 2483 CG LYS A 159 -9.642 14.332 0.095 1.00 1.06 C ATOM 2484 CD LYS A 159 -10.065 15.769 -0.328 1.00 1.48 C ATOM 2485 CE LYS A 159 -11.585 16.005 -0.271 1.00 1.63 C ATOM 2486 NZ LYS A 159 -11.936 17.392 -0.683 1.00 2.18 N ATOM 0 H LYS A 159 -7.368 14.335 -0.873 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.624 12.435 -2.709 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -10.755 13.344 -1.477 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -9.673 12.282 -0.598 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -10.260 14.016 0.935 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -8.611 14.358 0.449 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -9.569 16.491 0.321 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -9.714 15.958 -1.342 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -12.090 15.292 -0.922 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -11.945 15.823 0.741 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -12.858 17.388 -1.164 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -11.987 18.002 0.158 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -11.209 17.756 -1.331 1.00 2.18 H new ATOM 2500 N GLY A 160 -10.038 13.953 -4.178 1.00 0.74 N ATOM 2501 CA GLY A 160 -10.592 14.810 -5.243 1.00 0.93 C ATOM 2502 C GLY A 160 -12.020 15.347 -4.982 1.00 0.96 C ATOM 2503 O GLY A 160 -12.343 16.455 -5.416 1.00 1.02 O ATOM 0 H GLY A 160 -10.349 12.983 -4.219 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -9.923 15.658 -5.389 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -10.598 14.245 -6.175 1.00 0.93 H new ATOM 2507 N TYR A 161 -12.868 14.559 -4.280 1.00 0.96 N ATOM 2508 CA TYR A 161 -14.255 14.973 -3.966 1.00 1.02 C ATOM 2509 C TYR A 161 -14.560 14.913 -2.446 1.00 1.05 C ATOM 2510 O TYR A 161 -14.527 15.944 -1.770 1.00 1.11 O ATOM 2511 CB TYR A 161 -15.267 14.115 -4.759 1.00 1.14 C ATOM 2512 CG TYR A 161 -15.341 14.450 -6.257 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -16.224 15.423 -6.739 1.00 1.81 C ATOM 2514 CD2 TYR A 161 -14.524 13.799 -7.189 1.00 1.63 C ATOM 2515 CE1 TYR A 161 -16.288 15.728 -8.091 1.00 2.26 C ATOM 2516 CE2 TYR A 161 -14.589 14.107 -8.538 1.00 2.07 C ATOM 2517 CZ TYR A 161 -15.471 15.068 -8.980 1.00 2.29 C ATOM 2518 OH TYR A 161 -15.536 15.370 -10.321 1.00 2.86 O ATOM 0 H TYR A 161 -12.617 13.637 -3.922 1.00 0.96 H new ATOM 0 HA TYR A 161 -14.357 16.015 -4.270 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -15.002 13.064 -4.646 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -16.257 14.243 -4.320 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -16.867 15.946 -6.046 1.00 1.81 H new ATOM 0 HD2 TYR A 161 -13.831 13.043 -6.850 1.00 1.63 H new ATOM 0 HE1 TYR A 161 -16.977 16.481 -8.444 1.00 2.26 H new ATOM 0 HE2 TYR A 161 -13.949 13.595 -9.242 1.00 2.07 H new ATOM 0 HH TYR A 161 -14.894 14.816 -10.813 1.00 2.86 H new ATOM 2528 N TYR A 162 -14.860 13.704 -1.920 1.00 1.09 N ATOM 2529 CA TYR A 162 -15.173 13.500 -0.481 1.00 1.17 C ATOM 2530 C TYR A 162 -14.390 12.310 0.125 1.00 1.10 C ATOM 2531 O TYR A 162 -13.841 12.418 1.223 1.00 1.71 O ATOM 2532 CB TYR A 162 -16.684 13.268 -0.285 1.00 1.54 C ATOM 2533 CG TYR A 162 -17.535 14.545 -0.335 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -17.690 15.350 0.799 1.00 2.00 C ATOM 2535 CD2 TYR A 162 -18.183 14.949 -1.510 1.00 2.57 C ATOM 2536 CE1 TYR A 162 -18.457 16.505 0.761 1.00 2.64 C ATOM 2537 CE2 TYR A 162 -18.950 16.103 -1.545 1.00 3.18 C ATOM 2538 CZ TYR A 162 -19.082 16.873 -0.410 1.00 3.16 C ATOM 2539 OH TYR A 162 -19.843 18.017 -0.446 1.00 3.91 O ATOM 0 H TYR A 162 -14.893 12.847 -2.472 1.00 1.09 H new ATOM 0 HA TYR A 162 -14.867 14.407 0.040 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -17.036 12.581 -1.055 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -16.842 12.778 0.676 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -17.204 15.067 1.721 1.00 2.00 H new ATOM 0 HD2 TYR A 162 -18.083 14.351 -2.404 1.00 2.57 H new ATOM 0 HE1 TYR A 162 -18.564 17.114 1.647 1.00 2.64 H new ATOM 0 HE2 TYR A 162 -19.443 16.398 -2.460 1.00 3.18 H new ATOM 0 HH TYR A 162 -20.214 18.135 -1.345 1.00 3.91 H new ATOM 2549 N ASP A 163 -14.352 11.176 -0.614 1.00 1.04 N ATOM 2550 CA ASP A 163 -13.637 9.930 -0.218 1.00 0.99 C ATOM 2551 C ASP A 163 -12.207 9.881 -0.778 1.00 1.06 C ATOM 2552 O ASP A 163 -11.859 10.541 -1.764 1.00 1.74 O ATOM 2553 CB ASP A 163 -14.422 8.704 -0.724 1.00 1.11 C ATOM 2554 CG ASP A 163 -15.381 8.135 0.316 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -14.919 7.383 1.200 1.00 1.27 O ATOM 2556 OD2 ASP A 163 -16.589 8.441 0.241 1.00 1.34 O ATOM 0 H ASP A 163 -14.822 11.095 -1.515 1.00 1.04 H new ATOM 0 HA ASP A 163 -13.571 9.920 0.870 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -14.985 8.983 -1.614 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -13.718 7.928 -1.023 1.00 1.11 H new ATOM 2561 N ASN A 164 -11.395 9.081 -0.095 1.00 0.83 N ATOM 2562 CA ASN A 164 -9.985 8.835 -0.437 1.00 0.83 C ATOM 2563 C ASN A 164 -9.871 7.449 -1.170 1.00 1.01 C ATOM 2564 O ASN A 164 -10.913 6.925 -1.601 1.00 1.68 O ATOM 2565 CB ASN A 164 -9.214 8.906 0.901 1.00 1.02 C ATOM 2566 CG ASN A 164 -8.270 10.106 0.996 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -7.561 10.439 0.044 1.00 1.57 O ATOM 2568 ND2 ASN A 164 -8.276 10.770 2.153 1.00 0.82 N ATOM 0 H ASN A 164 -11.700 8.570 0.733 1.00 0.83 H new ATOM 0 HA ASN A 164 -9.562 9.565 -1.127 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -9.930 8.950 1.722 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -8.638 7.989 1.029 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -7.678 11.587 2.275 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -8.878 10.460 2.916 1.00 0.82 H new ATOM 2575 N PRO A 165 -8.654 6.808 -1.398 1.00 0.87 N ATOM 2576 CA PRO A 165 -8.562 5.440 -2.055 1.00 1.06 C ATOM 2577 C PRO A 165 -9.272 4.277 -1.291 1.00 0.93 C ATOM 2578 O PRO A 165 -9.427 3.175 -1.823 1.00 1.76 O ATOM 2579 CB PRO A 165 -7.048 5.188 -2.120 1.00 1.45 C ATOM 2580 CG PRO A 165 -6.464 6.570 -2.176 1.00 2.06 C ATOM 2581 CD PRO A 165 -7.295 7.366 -1.191 1.00 1.41 C ATOM 0 HA PRO A 165 -9.076 5.450 -3.016 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -6.695 4.638 -1.248 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -6.776 4.602 -2.998 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -5.410 6.568 -1.898 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.528 6.989 -3.180 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -6.951 7.229 -0.166 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -7.259 8.435 -1.399 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.694 4.581 -0.022 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.467 3.691 0.896 1.00 0.47 C ATOM 2591 C LYS A 166 -9.603 2.610 1.617 1.00 0.42 C ATOM 2592 O LYS A 166 -9.373 2.724 2.824 1.00 0.47 O ATOM 2593 CB LYS A 166 -11.701 3.090 0.164 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.770 2.435 1.086 1.00 1.30 C ATOM 2595 CD LYS A 166 -13.888 3.418 1.539 1.00 1.83 C ATOM 2596 CE LYS A 166 -15.009 3.581 0.494 1.00 2.33 C ATOM 2597 NZ LYS A 166 -16.043 4.549 0.948 1.00 3.00 N ATOM 0 H LYS A 166 -9.495 5.488 0.401 1.00 0.54 H new ATOM 0 HA LYS A 166 -10.829 4.321 1.708 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -12.180 3.880 -0.414 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -11.351 2.342 -0.547 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -13.226 1.596 0.560 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -12.276 2.028 1.968 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -14.320 3.062 2.474 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -13.445 4.393 1.744 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -14.581 3.920 -0.450 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -15.474 2.614 0.304 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -16.773 4.647 0.214 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -16.480 4.204 1.826 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -15.600 5.474 1.122 1.00 3.00 H new ATOM 2611 N VAL A 167 -9.128 1.570 0.878 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.277 0.493 1.480 1.00 0.38 C ATOM 2613 C VAL A 167 -6.794 0.675 1.017 1.00 0.34 C ATOM 2614 O VAL A 167 -6.505 0.774 -0.189 1.00 0.33 O ATOM 2615 CB VAL A 167 -8.817 -0.997 1.138 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -8.056 -2.133 1.883 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -10.324 -1.207 1.458 1.00 0.58 C ATOM 0 H VAL A 167 -9.313 1.451 -0.118 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.333 0.593 2.564 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.640 -1.062 0.064 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -8.476 -3.098 1.601 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -7.001 -2.103 1.611 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -8.157 -1.994 2.959 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -10.611 -2.227 1.203 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -10.498 -1.036 2.520 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -10.921 -0.505 0.875 1.00 0.58 H new ATOM 2627 N CYS A 168 -5.885 0.594 2.021 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.438 0.751 1.812 1.00 0.35 C ATOM 2629 C CYS A 168 -3.636 -0.340 2.560 1.00 0.36 C ATOM 2630 O CYS A 168 -3.761 -0.512 3.780 1.00 0.48 O ATOM 2631 CB CYS A 168 -4.010 2.134 2.290 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.584 2.825 1.415 1.00 0.87 S ATOM 0 H CYS A 168 -6.142 0.418 2.992 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.228 0.643 0.748 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -4.852 2.818 2.183 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -3.776 2.080 3.353 1.00 0.37 H new ATOM 0 HG CYS A 168 -2.928 3.133 0.200 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.781 -1.047 1.790 1.00 0.29 N ATOM 2639 CA ALA A 169 -1.951 -2.193 2.261 1.00 0.29 C ATOM 2640 C ALA A 169 -0.405 -2.018 2.112 1.00 0.25 C ATOM 2641 O ALA A 169 0.264 -2.782 1.376 1.00 0.26 O ATOM 2642 CB ALA A 169 -2.458 -3.559 1.761 1.00 0.34 C ATOM 0 H ALA A 169 -2.641 -0.838 0.802 1.00 0.29 H new ATOM 0 HA ALA A 169 -2.103 -2.184 3.340 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -1.809 -4.349 2.140 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -3.475 -3.722 2.118 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -2.449 -3.574 0.671 1.00 0.34 H new ATOM 2648 N LEU A 170 0.123 -0.859 2.618 1.00 0.22 N ATOM 2649 CA LEU A 170 1.589 -0.476 2.633 1.00 0.21 C ATOM 2650 C LEU A 170 2.582 -1.630 2.982 1.00 0.19 C ATOM 2651 O LEU A 170 2.399 -2.357 3.960 1.00 0.34 O ATOM 2652 CB LEU A 170 1.791 0.626 3.705 1.00 0.31 C ATOM 2653 CG LEU A 170 2.452 1.996 3.301 1.00 0.38 C ATOM 2654 CD1 LEU A 170 3.873 1.844 2.746 1.00 0.50 C ATOM 2655 CD2 LEU A 170 1.579 2.790 2.330 1.00 0.70 C ATOM 0 H LEU A 170 -0.468 -0.142 3.039 1.00 0.22 H new ATOM 0 HA LEU A 170 1.816 -0.160 1.615 1.00 0.21 H new ATOM 0 HB2 LEU A 170 0.813 0.850 4.130 1.00 0.31 H new ATOM 0 HB3 LEU A 170 2.395 0.196 4.504 1.00 0.31 H new ATOM 0 HG LEU A 170 2.533 2.560 4.230 1.00 0.38 H new ATOM 0 HD11 LEU A 170 4.270 2.826 2.487 1.00 0.50 H new ATOM 0 HD12 LEU A 170 4.511 1.382 3.500 1.00 0.50 H new ATOM 0 HD13 LEU A 170 3.851 1.216 1.856 1.00 0.50 H new ATOM 0 HD21 LEU A 170 2.074 3.728 2.079 1.00 0.70 H new ATOM 0 HD22 LEU A 170 1.422 2.208 1.422 1.00 0.70 H new ATOM 0 HD23 LEU A 170 0.617 3.002 2.796 1.00 0.70 H new ATOM 2667 N PHE A 171 3.596 -1.787 2.135 1.00 0.16 N ATOM 2668 CA PHE A 171 4.619 -2.817 2.315 1.00 0.14 C ATOM 2669 C PHE A 171 5.965 -2.333 1.732 1.00 0.14 C ATOM 2670 O PHE A 171 6.182 -2.414 0.520 1.00 0.19 O ATOM 2671 CB PHE A 171 4.152 -4.149 1.637 1.00 0.17 C ATOM 2672 CG PHE A 171 5.202 -5.268 1.499 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.191 -5.440 2.473 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.196 -6.149 0.414 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.129 -6.453 2.361 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.128 -7.152 0.308 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.118 -7.279 1.226 1.00 0.17 C ATOM 0 H PHE A 171 3.733 -1.207 1.307 1.00 0.16 H new ATOM 0 HA PHE A 171 4.763 -3.007 3.379 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.310 -4.542 2.207 1.00 0.17 H new ATOM 0 HB3 PHE A 171 3.779 -3.910 0.641 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.224 -4.775 3.323 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.445 -6.039 -0.355 1.00 0.20 H new ATOM 0 HE1 PHE A 171 7.862 -6.606 3.139 1.00 0.15 H new ATOM 0 HE2 PHE A 171 6.072 -7.848 -0.516 1.00 0.21 H new ATOM 0 HZ PHE A 171 7.896 -8.014 1.084 1.00 0.17 H new ATOM 2687 N ILE A 172 6.869 -1.841 2.599 1.00 0.10 N ATOM 2688 CA ILE A 172 8.201 -1.424 2.131 1.00 0.10 C ATOM 2689 C ILE A 172 9.339 -2.309 2.749 1.00 0.08 C ATOM 2690 O ILE A 172 9.524 -2.408 3.990 1.00 0.08 O ATOM 2691 CB ILE A 172 8.502 0.156 2.177 1.00 0.13 C ATOM 2692 CG1 ILE A 172 9.881 0.445 1.467 1.00 0.14 C ATOM 2693 CG2 ILE A 172 8.444 0.803 3.599 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.075 1.820 0.808 1.00 0.31 C ATOM 0 H ILE A 172 6.708 -1.725 3.599 1.00 0.10 H new ATOM 0 HA ILE A 172 8.190 -1.619 1.059 1.00 0.10 H new ATOM 0 HB ILE A 172 7.687 0.638 1.637 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.672 0.313 2.206 1.00 0.14 H new ATOM 0 HG13 ILE A 172 10.030 -0.317 0.702 1.00 0.14 H new ATOM 0 HG21 ILE A 172 8.661 1.869 3.523 1.00 0.22 H new ATOM 0 HG22 ILE A 172 7.449 0.664 4.021 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.182 0.328 4.245 1.00 0.22 H new ATOM 0 HD11 ILE A 172 11.068 1.873 0.362 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.321 1.962 0.034 1.00 0.31 H new ATOM 0 HD13 ILE A 172 9.973 2.602 1.561 1.00 0.31 H new ATOM 2706 N MET A 173 10.094 -2.928 1.836 1.00 0.09 N ATOM 2707 CA MET A 173 11.207 -3.819 2.195 1.00 0.11 C ATOM 2708 C MET A 173 12.570 -3.302 1.655 1.00 0.13 C ATOM 2709 O MET A 173 12.622 -2.352 0.860 1.00 0.21 O ATOM 2710 CB MET A 173 10.896 -5.278 1.761 1.00 0.15 C ATOM 2711 CG MET A 173 10.297 -5.420 0.346 1.00 0.17 C ATOM 2712 SD MET A 173 11.540 -5.352 -0.963 1.00 0.44 S ATOM 2713 CE MET A 173 12.510 -6.822 -0.631 1.00 0.26 C ATOM 0 H MET A 173 9.954 -2.828 0.831 1.00 0.09 H new ATOM 0 HA MET A 173 11.307 -3.818 3.280 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.816 -5.861 1.811 1.00 0.15 H new ATOM 0 HB3 MET A 173 10.202 -5.715 2.479 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.760 -6.366 0.279 1.00 0.17 H new ATOM 0 HG3 MET A 173 9.567 -4.627 0.186 1.00 0.17 H new ATOM 0 HE1 MET A 173 13.023 -7.133 -1.541 1.00 0.26 H new ATOM 0 HE2 MET A 173 13.245 -6.605 0.144 1.00 0.26 H new ATOM 0 HE3 MET A 173 11.853 -7.623 -0.293 1.00 0.26 H new ATOM 2723 N LYS A 174 13.678 -3.944 2.081 1.00 0.12 N ATOM 2724 CA LYS A 174 15.011 -3.469 1.741 1.00 0.19 C ATOM 2725 C LYS A 174 15.945 -4.432 0.941 1.00 0.16 C ATOM 2726 O LYS A 174 15.922 -5.660 1.057 1.00 0.17 O ATOM 2727 CB LYS A 174 15.653 -3.088 3.103 1.00 0.38 C ATOM 2728 CG LYS A 174 17.141 -2.727 3.073 1.00 0.54 C ATOM 2729 CD LYS A 174 17.704 -2.441 4.479 1.00 0.57 C ATOM 2730 CE LYS A 174 19.185 -2.080 4.415 1.00 0.49 C ATOM 2731 NZ LYS A 174 20.031 -3.262 4.090 1.00 1.26 N ATOM 0 H LYS A 174 13.664 -4.786 2.657 1.00 0.12 H new ATOM 0 HA LYS A 174 14.898 -2.646 1.035 1.00 0.19 H new ATOM 0 HB2 LYS A 174 15.104 -2.242 3.516 1.00 0.38 H new ATOM 0 HB3 LYS A 174 15.517 -3.922 3.791 1.00 0.38 H new ATOM 0 HG2 LYS A 174 17.701 -3.544 2.619 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.287 -1.851 2.441 1.00 0.54 H new ATOM 0 HD2 LYS A 174 17.147 -1.624 4.938 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.567 -3.316 5.114 1.00 0.57 H new ATOM 0 HE2 LYS A 174 19.338 -1.306 3.663 1.00 0.49 H new ATOM 0 HE3 LYS A 174 19.498 -1.661 5.371 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 21.035 -2.999 4.156 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 19.829 -4.029 4.763 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 19.820 -3.585 3.124 1.00 1.26 H new ATOM 2745 N GLY A 175 16.763 -3.741 0.136 1.00 0.14 N ATOM 2746 CA GLY A 175 17.881 -4.269 -0.662 1.00 0.15 C ATOM 2747 C GLY A 175 17.734 -4.427 -2.190 1.00 0.13 C ATOM 2748 O GLY A 175 18.634 -3.912 -2.873 1.00 0.17 O ATOM 0 H GLY A 175 16.656 -2.734 0.016 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.740 -3.621 -0.485 1.00 0.15 H new ATOM 0 HA3 GLY A 175 18.133 -5.250 -0.258 1.00 0.15 H new ATOM 2752 N THR A 176 16.572 -4.917 -2.747 1.00 0.11 N ATOM 2753 CA THR A 176 16.391 -5.103 -4.246 1.00 0.10 C ATOM 2754 C THR A 176 14.987 -5.622 -4.635 1.00 0.10 C ATOM 2755 O THR A 176 14.290 -6.264 -3.839 1.00 0.13 O ATOM 2756 CB THR A 176 17.417 -6.092 -4.949 1.00 0.12 C ATOM 2757 OG1 THR A 176 18.008 -7.031 -4.028 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.537 -5.362 -5.730 1.00 0.15 C ATOM 0 H THR A 176 15.757 -5.188 -2.196 1.00 0.11 H new ATOM 0 HA THR A 176 16.565 -4.087 -4.600 1.00 0.10 H new ATOM 0 HB THR A 176 16.810 -6.643 -5.667 1.00 0.12 H new ATOM 0 HG1 THR A 176 18.629 -7.616 -4.511 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.202 -6.097 -6.185 1.00 0.15 H new ATOM 0 HG22 THR A 176 18.093 -4.743 -6.509 1.00 0.15 H new ATOM 0 HG23 THR A 176 19.106 -4.732 -5.046 1.00 0.15 H new ATOM 2766 N ALA A 177 14.596 -5.339 -5.924 1.00 0.10 N ATOM 2767 CA ALA A 177 13.303 -5.783 -6.547 1.00 0.11 C ATOM 2768 C ALA A 177 13.271 -7.304 -6.976 1.00 0.15 C ATOM 2769 O ALA A 177 12.200 -7.858 -7.269 1.00 0.17 O ATOM 2770 CB ALA A 177 12.988 -4.865 -7.753 1.00 0.15 C ATOM 0 H ALA A 177 15.176 -4.793 -6.561 1.00 0.10 H new ATOM 0 HA ALA A 177 12.534 -5.694 -5.780 1.00 0.11 H new ATOM 0 HB1 ALA A 177 12.051 -5.178 -8.214 1.00 0.15 H new ATOM 0 HB2 ALA A 177 12.898 -3.834 -7.412 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.793 -4.936 -8.484 1.00 0.15 H new ATOM 2776 N ASP A 178 14.458 -7.981 -6.983 1.00 0.19 N ATOM 2777 CA ASP A 178 14.587 -9.423 -7.309 1.00 0.24 C ATOM 2778 C ASP A 178 14.414 -10.374 -6.060 1.00 0.26 C ATOM 2779 O ASP A 178 14.571 -11.592 -6.181 1.00 0.31 O ATOM 2780 CB ASP A 178 15.959 -9.655 -7.958 1.00 0.31 C ATOM 2781 CG ASP A 178 15.878 -10.339 -9.319 1.00 0.42 C ATOM 2782 OD1 ASP A 178 15.876 -11.587 -9.359 1.00 0.55 O ATOM 2783 OD2 ASP A 178 15.816 -9.622 -10.341 1.00 0.51 O ATOM 0 H ASP A 178 15.349 -7.536 -6.762 1.00 0.19 H new ATOM 0 HA ASP A 178 13.777 -9.677 -7.992 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.466 -8.697 -8.071 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.570 -10.262 -7.290 1.00 0.31 H new ATOM 2788 N ASP A 179 14.081 -9.791 -4.879 1.00 0.24 N ATOM 2789 CA ASP A 179 13.877 -10.545 -3.614 1.00 0.31 C ATOM 2790 C ASP A 179 12.380 -10.650 -3.180 1.00 0.32 C ATOM 2791 O ASP A 179 12.067 -11.390 -2.247 1.00 0.44 O ATOM 2792 CB ASP A 179 14.687 -9.893 -2.480 1.00 0.37 C ATOM 2793 CG ASP A 179 16.068 -10.514 -2.292 1.00 0.48 C ATOM 2794 OD1 ASP A 179 17.025 -10.039 -2.936 1.00 0.52 O ATOM 2795 OD2 ASP A 179 16.184 -11.474 -1.499 1.00 0.60 O ATOM 0 H ASP A 179 13.946 -8.785 -4.777 1.00 0.24 H new ATOM 0 HA ASP A 179 14.223 -11.560 -3.807 1.00 0.31 H new ATOM 0 HB2 ASP A 179 14.800 -8.829 -2.688 1.00 0.37 H new ATOM 0 HB3 ASP A 179 14.128 -9.978 -1.548 1.00 0.37 H new ATOM 2800 N VAL A 180 11.474 -9.886 -3.851 1.00 0.24 N ATOM 2801 CA VAL A 180 9.991 -9.898 -3.572 1.00 0.29 C ATOM 2802 C VAL A 180 9.218 -10.981 -4.424 1.00 0.50 C ATOM 2803 O VAL A 180 8.849 -10.692 -5.568 1.00 0.95 O ATOM 2804 CB VAL A 180 9.239 -8.484 -3.780 1.00 0.27 C ATOM 2805 CG1 VAL A 180 9.006 -7.775 -2.437 1.00 0.48 C ATOM 2806 CG2 VAL A 180 9.925 -7.475 -4.750 1.00 0.50 C ATOM 0 H VAL A 180 11.739 -9.244 -4.598 1.00 0.24 H new ATOM 0 HA VAL A 180 9.956 -10.144 -2.511 1.00 0.29 H new ATOM 0 HB VAL A 180 8.301 -8.774 -4.253 1.00 0.27 H new ATOM 0 HG11 VAL A 180 8.498 -6.826 -2.610 1.00 0.48 H new ATOM 0 HG12 VAL A 180 8.390 -8.405 -1.795 1.00 0.48 H new ATOM 0 HG13 VAL A 180 9.964 -7.590 -1.952 1.00 0.48 H new ATOM 0 HG21 VAL A 180 9.329 -6.564 -4.809 1.00 0.50 H new ATOM 0 HG22 VAL A 180 10.921 -7.233 -4.379 1.00 0.50 H new ATOM 0 HG23 VAL A 180 10.005 -7.921 -5.741 1.00 0.50 H new ATOM 2816 N PRO A 181 8.972 -12.256 -3.906 1.00 0.59 N ATOM 2817 CA PRO A 181 8.210 -13.307 -4.658 1.00 0.75 C ATOM 2818 C PRO A 181 6.671 -13.180 -4.537 1.00 1.31 C ATOM 2819 O PRO A 181 6.088 -13.471 -3.486 1.00 1.80 O ATOM 2820 CB PRO A 181 8.666 -14.639 -4.005 1.00 1.20 C ATOM 2821 CG PRO A 181 9.753 -14.260 -3.030 1.00 1.57 C ATOM 2822 CD PRO A 181 9.463 -12.828 -2.632 1.00 1.05 C ATOM 0 HA PRO A 181 8.415 -13.226 -5.726 1.00 0.75 H new ATOM 0 HB2 PRO A 181 7.837 -15.130 -3.496 1.00 1.20 H new ATOM 0 HB3 PRO A 181 9.038 -15.337 -4.755 1.00 1.20 H new ATOM 0 HG2 PRO A 181 9.746 -14.917 -2.161 1.00 1.57 H new ATOM 0 HG3 PRO A 181 10.738 -14.348 -3.488 1.00 1.57 H new ATOM 0 HD2 PRO A 181 8.716 -12.766 -1.841 1.00 1.05 H new ATOM 0 HD3 PRO A 181 10.354 -12.315 -2.270 1.00 1.05 H new ATOM 2830 N MET A 182 6.036 -12.729 -5.634 1.00 1.54 N ATOM 2831 CA MET A 182 4.574 -12.551 -5.692 1.00 2.26 C ATOM 2832 C MET A 182 4.008 -13.034 -7.037 1.00 2.40 C ATOM 2833 O MET A 182 4.243 -12.418 -8.084 1.00 2.49 O ATOM 2834 CB MET A 182 4.193 -11.069 -5.473 1.00 2.82 C ATOM 2835 CG MET A 182 4.349 -10.575 -4.023 1.00 3.46 C ATOM 2836 SD MET A 182 3.164 -11.341 -2.897 1.00 4.01 S ATOM 2837 CE MET A 182 3.658 -10.630 -1.327 1.00 4.96 C ATOM 0 H MET A 182 6.517 -12.480 -6.498 1.00 1.54 H new ATOM 0 HA MET A 182 4.140 -13.153 -4.894 1.00 2.26 H new ATOM 0 HB2 MET A 182 4.811 -10.449 -6.123 1.00 2.82 H new ATOM 0 HB3 MET A 182 3.158 -10.924 -5.783 1.00 2.82 H new ATOM 0 HG2 MET A 182 5.361 -10.786 -3.678 1.00 3.46 H new ATOM 0 HG3 MET A 182 4.223 -9.493 -3.996 1.00 3.46 H new ATOM 0 HE1 MET A 182 3.013 -11.012 -0.536 1.00 4.96 H new ATOM 0 HE2 MET A 182 4.692 -10.900 -1.115 1.00 4.96 H new ATOM 0 HE3 MET A 182 3.569 -9.545 -1.375 1.00 4.96 H new ATOM 2847 N LEU A 183 3.259 -14.147 -6.990 1.00 2.65 N ATOM 2848 CA LEU A 183 2.642 -14.743 -8.191 1.00 2.86 C ATOM 2849 C LEU A 183 1.160 -15.114 -7.973 1.00 3.61 C ATOM 2850 O LEU A 183 0.665 -15.201 -6.840 1.00 4.00 O ATOM 2851 CB LEU A 183 3.417 -16.013 -8.633 1.00 2.51 C ATOM 2852 CG LEU A 183 4.834 -15.787 -9.234 1.00 2.24 C ATOM 2853 CD1 LEU A 183 5.757 -16.967 -8.930 1.00 2.43 C ATOM 2854 CD2 LEU A 183 4.779 -15.559 -10.749 1.00 2.58 C ATOM 0 H LEU A 183 3.064 -14.657 -6.128 1.00 2.65 H new ATOM 0 HA LEU A 183 2.692 -13.982 -8.970 1.00 2.86 H new ATOM 0 HB2 LEU A 183 3.514 -16.672 -7.770 1.00 2.51 H new ATOM 0 HB3 LEU A 183 2.814 -16.541 -9.371 1.00 2.51 H new ATOM 0 HG LEU A 183 5.235 -14.889 -8.763 1.00 2.24 H new ATOM 0 HD11 LEU A 183 6.740 -16.781 -9.362 1.00 2.43 H new ATOM 0 HD12 LEU A 183 5.852 -17.086 -7.851 1.00 2.43 H new ATOM 0 HD13 LEU A 183 5.338 -17.877 -9.360 1.00 2.43 H new ATOM 0 HD21 LEU A 183 5.788 -15.405 -11.131 1.00 2.58 H new ATOM 0 HD22 LEU A 183 4.337 -16.430 -11.232 1.00 2.58 H new ATOM 0 HD23 LEU A 183 4.172 -14.679 -10.963 1.00 2.58 H new ATOM 2866 N GLN A 184 0.469 -15.344 -9.101 1.00 3.87 N ATOM 2867 CA GLN A 184 -0.957 -15.742 -9.122 1.00 4.58 C ATOM 2868 C GLN A 184 -1.097 -17.261 -9.457 1.00 4.68 C ATOM 2869 O GLN A 184 -0.201 -17.819 -10.109 1.00 4.25 O ATOM 2870 CB GLN A 184 -1.724 -14.874 -10.166 1.00 4.95 C ATOM 2871 CG GLN A 184 -1.054 -14.772 -11.549 1.00 5.32 C ATOM 2872 CD GLN A 184 -1.859 -13.939 -12.536 1.00 5.82 C ATOM 2873 OE1 GLN A 184 -2.550 -12.990 -12.158 1.00 6.06 O ATOM 2874 NE2 GLN A 184 -1.774 -14.292 -13.814 1.00 6.27 N ATOM 0 H GLN A 184 0.881 -15.260 -10.030 1.00 3.87 H new ATOM 0 HA GLN A 184 -1.390 -15.575 -8.136 1.00 4.58 H new ATOM 0 HB2 GLN A 184 -2.725 -15.287 -10.294 1.00 4.95 H new ATOM 0 HB3 GLN A 184 -1.843 -13.869 -9.762 1.00 4.95 H new ATOM 0 HG2 GLN A 184 -0.062 -14.334 -11.435 1.00 5.32 H new ATOM 0 HG3 GLN A 184 -0.915 -15.774 -11.955 1.00 5.32 H new ATOM 0 HE21 GLN A 184 -1.191 -15.083 -14.087 1.00 6.27 H new ATOM 0 HE22 GLN A 184 -2.291 -13.772 -14.522 1.00 6.27 H new ATOM 2883 N PRO A 185 -2.214 -17.979 -9.033 1.00 5.36 N ATOM 2884 CA PRO A 185 -2.389 -19.449 -9.316 1.00 5.62 C ATOM 2885 C PRO A 185 -2.550 -19.823 -10.802 1.00 5.52 C ATOM 2886 O PRO A 185 -3.461 -19.344 -11.488 1.00 5.77 O ATOM 2887 CB PRO A 185 -3.682 -19.821 -8.571 1.00 6.42 C ATOM 2888 CG PRO A 185 -4.419 -18.516 -8.417 1.00 6.59 C ATOM 2889 CD PRO A 185 -3.342 -17.468 -8.207 1.00 5.99 C ATOM 0 HA PRO A 185 -1.491 -19.980 -9.000 1.00 5.62 H new ATOM 0 HB2 PRO A 185 -4.270 -20.545 -9.135 1.00 6.42 H new ATOM 0 HB3 PRO A 185 -3.466 -20.271 -7.602 1.00 6.42 H new ATOM 0 HG2 PRO A 185 -5.015 -18.295 -9.302 1.00 6.59 H new ATOM 0 HG3 PRO A 185 -5.105 -18.550 -7.571 1.00 6.59 H new ATOM 0 HD2 PRO A 185 -3.669 -16.482 -8.536 1.00 5.99 H new ATOM 0 HD3 PRO A 185 -3.065 -17.378 -7.157 1.00 5.99 H new ATOM 2897 N HIS A 186 -1.638 -20.680 -11.265 1.00 5.25 N ATOM 2898 CA HIS A 186 -1.633 -21.140 -12.648 1.00 5.19 C ATOM 2899 C HIS A 186 -1.392 -22.684 -12.729 1.00 5.51 C ATOM 2900 O HIS A 186 -0.503 -23.204 -12.043 1.00 5.51 O ATOM 2901 CB HIS A 186 -0.550 -20.363 -13.448 1.00 4.55 C ATOM 2902 CG HIS A 186 -0.717 -20.435 -14.951 1.00 4.63 C ATOM 2903 ND1 HIS A 186 -0.570 -21.605 -15.667 1.00 4.77 N ATOM 2904 CD2 HIS A 186 -1.090 -19.495 -15.855 1.00 4.82 C ATOM 2905 CE1 HIS A 186 -0.853 -21.393 -16.931 1.00 4.89 C ATOM 2906 NE2 HIS A 186 -1.168 -20.119 -17.079 1.00 4.96 N ATOM 0 H HIS A 186 -0.889 -21.070 -10.694 1.00 5.25 H new ATOM 0 HA HIS A 186 -2.610 -20.942 -13.089 1.00 5.19 H new ATOM 0 HB2 HIS A 186 -0.569 -19.317 -13.141 1.00 4.55 H new ATOM 0 HB3 HIS A 186 0.432 -20.755 -13.184 1.00 4.55 H new ATOM 0 HD1 HIS A 186 -0.284 -22.501 -15.273 1.00 4.77 H new ATOM 0 HD2 HIS A 186 -1.288 -18.453 -15.652 1.00 4.82 H new ATOM 0 HE1 HIS A 186 -0.832 -22.134 -17.716 1.00 4.89 H new ATOM 2915 N PRO A 187 -2.168 -23.447 -13.589 1.00 5.90 N ATOM 2916 CA PRO A 187 -1.994 -24.933 -13.763 1.00 6.31 C ATOM 2917 C PRO A 187 -0.896 -25.334 -14.796 1.00 6.06 C ATOM 2918 O PRO A 187 0.034 -24.565 -15.054 1.00 5.96 O ATOM 2919 CB PRO A 187 -3.386 -25.324 -14.302 1.00 6.77 C ATOM 2920 CG PRO A 187 -3.703 -24.189 -15.223 1.00 6.43 C ATOM 2921 CD PRO A 187 -3.332 -22.965 -14.404 1.00 6.09 C ATOM 0 HA PRO A 187 -1.672 -25.422 -12.843 1.00 6.31 H new ATOM 0 HB2 PRO A 187 -3.365 -26.279 -14.826 1.00 6.77 H new ATOM 0 HB3 PRO A 187 -4.121 -25.416 -13.502 1.00 6.77 H new ATOM 0 HG2 PRO A 187 -3.126 -24.246 -16.146 1.00 6.43 H new ATOM 0 HG3 PRO A 187 -4.756 -24.181 -15.505 1.00 6.43 H new ATOM 0 HD2 PRO A 187 -3.059 -22.122 -15.039 1.00 6.09 H new ATOM 0 HD3 PRO A 187 -4.158 -22.635 -13.773 1.00 6.09 H new ATOM 2929 N GLY A 188 -1.022 -26.544 -15.359 1.00 6.19 N ATOM 2930 CA GLY A 188 -0.088 -27.002 -16.367 1.00 6.09 C ATOM 2931 C GLY A 188 -0.314 -28.453 -16.774 1.00 6.57 C ATOM 2932 O GLY A 188 0.035 -29.374 -16.030 1.00 7.02 O ATOM 0 H GLY A 188 -1.759 -27.210 -15.128 1.00 6.19 H new ATOM 0 HA2 GLY A 188 -0.173 -26.366 -17.248 1.00 6.09 H new ATOM 0 HA3 GLY A 188 0.929 -26.891 -15.990 1.00 6.09 H new ATOM 2936 N LEU A 189 -0.899 -28.648 -17.972 1.00 6.77 N ATOM 2937 CA LEU A 189 -1.189 -29.994 -18.505 1.00 7.51 C ATOM 2938 C LEU A 189 -0.439 -30.262 -19.825 1.00 7.90 C ATOM 2939 O LEU A 189 -0.771 -29.695 -20.873 1.00 7.97 O ATOM 2940 CB LEU A 189 -2.710 -30.168 -18.720 1.00 7.96 C ATOM 2941 CG LEU A 189 -3.586 -30.234 -17.437 1.00 8.35 C ATOM 2942 CD1 LEU A 189 -4.968 -29.628 -17.678 1.00 8.85 C ATOM 2943 CD2 LEU A 189 -3.741 -31.673 -16.932 1.00 8.99 C ATOM 0 H LEU A 189 -1.181 -27.888 -18.591 1.00 6.77 H new ATOM 0 HA LEU A 189 -0.840 -30.719 -17.770 1.00 7.51 H new ATOM 0 HB2 LEU A 189 -3.065 -29.340 -19.334 1.00 7.96 H new ATOM 0 HB3 LEU A 189 -2.872 -31.082 -19.292 1.00 7.96 H new ATOM 0 HG LEU A 189 -3.070 -29.651 -16.674 1.00 8.35 H new ATOM 0 HD11 LEU A 189 -5.557 -29.689 -16.763 1.00 8.85 H new ATOM 0 HD12 LEU A 189 -4.861 -28.584 -17.972 1.00 8.85 H new ATOM 0 HD13 LEU A 189 -5.473 -30.178 -18.472 1.00 8.85 H new ATOM 0 HD21 LEU A 189 -4.359 -31.679 -16.034 1.00 8.99 H new ATOM 0 HD22 LEU A 189 -4.215 -32.280 -17.703 1.00 8.99 H new ATOM 0 HD23 LEU A 189 -2.759 -32.085 -16.699 1.00 8.99 H new ATOM 2955 N GLU A 190 0.581 -31.138 -19.751 1.00 8.45 N ATOM 2956 CA GLU A 190 1.398 -31.507 -20.920 1.00 9.15 C ATOM 2957 C GLU A 190 1.641 -33.021 -20.965 1.00 10.12 C ATOM 2958 O GLU A 190 2.595 -33.487 -20.307 1.00 10.56 O ATOM 2959 CB GLU A 190 2.756 -30.772 -20.895 1.00 9.15 C ATOM 2960 CG GLU A 190 2.682 -29.270 -21.211 1.00 8.88 C ATOM 2961 CD GLU A 190 4.035 -28.591 -21.104 1.00 9.20 C ATOM 2962 OE1 GLU A 190 4.382 -28.134 -19.994 1.00 9.27 O ATOM 2963 OE2 GLU A 190 4.745 -28.517 -22.128 1.00 9.58 O ATOM 2964 OXT GLU A 190 0.874 -33.723 -21.657 1.00 10.60 O ATOM 0 H GLU A 190 0.859 -31.605 -18.888 1.00 8.45 H new ATOM 0 HA GLU A 190 0.846 -31.209 -21.812 1.00 9.15 H new ATOM 0 HB2 GLU A 190 3.204 -30.900 -19.910 1.00 9.15 H new ATOM 0 HB3 GLU A 190 3.424 -31.248 -21.613 1.00 9.15 H new ATOM 0 HG2 GLU A 190 2.287 -29.132 -22.218 1.00 8.88 H new ATOM 0 HG3 GLU A 190 1.982 -28.791 -20.526 1.00 8.88 H new TER 2971 GLU A 190 HETATM 2972 C1 GLC A 191 -19.668 6.989 4.259 1.00 1.34 C HETATM 2973 C2 GLC A 191 -18.173 7.457 4.040 1.00 1.55 C HETATM 2974 C3 GLC A 191 -17.224 6.183 3.864 1.00 1.62 C HETATM 2975 C4 GLC A 191 -17.440 5.077 4.996 1.00 1.59 C HETATM 2976 C5 GLC A 191 -18.982 4.696 5.091 1.00 1.39 C HETATM 2977 C6 GLC A 191 -19.363 3.760 6.279 1.00 1.49 C HETATM 2978 O2 GLC A 191 -18.081 8.222 2.835 1.00 1.64 O HETATM 2979 O3 GLC A 191 -15.867 6.620 3.903 1.00 1.88 O HETATM 2980 O4 GLC A 191 -16.652 3.921 4.689 1.00 1.73 O HETATM 2981 O5 GLC A 191 -19.682 5.986 5.356 1.00 1.36 O HETATM 2982 O6 GLC A 191 -20.581 4.072 6.945 1.00 1.50 O HETATM 0 HO6 GLC A 191 -20.858 4.982 6.711 1.00 1.50 H new HETATM 0 HO4 GLC A 191 -16.782 3.242 5.384 1.00 1.73 H new HETATM 0 HO3 GLC A 191 -15.576 6.865 3.000 1.00 1.88 H new HETATM 0 HO2 GLC A 191 -17.396 7.833 2.252 1.00 1.64 H new HETATM 0 H62 GLC A 191 -19.426 2.738 5.906 1.00 1.49 H new HETATM 0 H61 GLC A 191 -18.555 3.784 7.010 1.00 1.49 H new HETATM 0 H5 GLC A 191 -19.248 4.170 4.174 1.00 1.39 H new HETATM 0 H4 GLC A 191 -17.123 5.473 5.961 1.00 1.59 H new HETATM 0 H3 GLC A 191 -17.475 5.719 2.910 1.00 1.62 H new HETATM 0 H2 GLC A 191 -17.869 8.049 4.903 1.00 1.55 H new HETATM 2994 C2 BGC A 192 -23.236 7.939 0.969 1.00 1.56 C HETATM 2995 C3 BGC A 192 -21.773 7.792 1.575 1.00 1.44 C HETATM 2996 C4 BGC A 192 -21.659 6.712 2.766 1.00 1.26 C HETATM 2997 C5 BGC A 192 -22.391 5.350 2.346 1.00 1.30 C HETATM 2998 C6 BGC A 192 -22.558 4.314 3.501 1.00 1.26 C HETATM 2999 C1 BGC A 192 -23.860 6.530 0.737 1.00 1.63 C HETATM 3000 O1 BGC A 192 -25.209 6.621 0.410 1.00 1.86 O HETATM 3001 O2 BGC A 192 -23.179 8.650 -0.267 1.00 1.78 O HETATM 3002 O3 BGC A 192 -21.372 9.061 2.081 1.00 1.54 O HETATM 3003 O4 BGC A 192 -20.233 6.439 3.052 1.00 1.27 O HETATM 3004 O5 BGC A 192 -23.776 5.727 1.967 1.00 1.47 O HETATM 3005 O6 BGC A 192 -23.808 3.638 3.552 1.00 1.46 O HETATM 0 H6C2 BGC A 192 -21.767 3.569 3.412 1.00 1.26 H new HETATM 0 H6C1 BGC A 192 -22.406 4.829 4.450 1.00 1.26 H new HETATM 0 HC BGC A 192 -20.471 8.992 2.461 1.00 1.54 H new HETATM 0 HB BGC A 192 -24.082 8.736 -0.637 1.00 1.78 H new HETATM 0 HA BGC A 192 -25.573 5.722 0.269 1.00 1.86 H new HETATM 0 H6 BGC A 192 -24.471 4.137 3.031 1.00 1.46 H new HETATM 0 H5 BGC A 192 -21.783 4.891 1.567 1.00 1.30 H new HETATM 0 H4 BGC A 192 -22.140 7.114 3.657 1.00 1.26 H new HETATM 0 H3 BGC A 192 -21.131 7.437 0.768 1.00 1.44 H new HETATM 0 H2 BGC A 192 -23.857 8.492 1.673 1.00 1.56 H new HETATM 0 H1 BGC A 192 -23.303 6.069 -0.079 1.00 1.63 H new