USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 992 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 MET CE :methyl -168:sc= -0.845 (180deg=-1.15) USER MOD Set 1.2: A 41 ASN : amide:sc= -8.58! C(o=-11!,f=-16!) USER MOD Set 1.3: A 93 TYR OH : rot 34:sc= -1.89! USER MOD Set 2.1: A 84 THR OG1 : rot -49:sc= -0.468! USER MOD Set 2.2: A 85 SER OG : rot -103:sc= -0.398! USER MOD Set 3.1: A 17 GLN : amide:sc= -7.27! C(o=-11!,f=-18!) USER MOD Set 3.2: A 45 HIS :FLIP no HD1:sc= -0.534 F(o=-13,f=-11) USER MOD Set 3.3: A 79 THR OG1 : rot 55:sc= -3.27! USER MOD Set 4.1: A 15 HIS :FLIP no HE2:sc= -10.1! C(o=-13!,f=-11!) USER MOD Set 4.2: A 42 THR OG1 : rot 180:sc= -0.901 USER MOD Set 5.1: A 9 GLN : amide:sc= -0.0106 K(o=0.48,f=-7.7!) USER MOD Set 5.2: A 12 LYS NZ :NH3+ -142:sc= 0.491 (180deg=-0.236) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -99:sc= -2.82! USER MOD Single : A 7 SER OG : rot 170:sc= -0.472 USER MOD Single : A 8 SER OG : rot 14:sc= -9.31! USER MOD Single : A 14 GLN :FLIP amide:sc= -5.91! C(o=-11!,f=-5.9!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 72:sc= 0.83 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -1.86 F(o=-4.1!,f=-1.9) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 141:sc= -1.9! (180deg=-3.69!) USER MOD Single : A 29 ASN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 31 ASN : amide:sc= -3.83! C(o=-3.8!,f=-6.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.07! K(o=-3.1!,f=-3.8) USER MOD Single : A 34 THR OG1 : rot -62:sc= 0.472 USER MOD Single : A 35 LYS NZ :NH3+ 153:sc= -0.162 (180deg=-0.845) USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= -0.156 (180deg=-0.915) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 54 THR OG1 : rot 69:sc= -0.0262 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.696 USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= -0.563 (180deg=-1.31!) USER MOD Single : A 63 LYS NZ :NH3+ -110:sc= -1.83 (180deg=-4.24!) USER MOD Single : A 64 ASN : amide:sc= -0.529 K(o=-0.53,f=-1.1) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -1.04 F(o=-1.6,f=-1) USER MOD Single : A 70 HIS : no HD1:sc= -15.9! C(o=-16!,f=-19!) USER MOD Single : A 71 GLN : amide:sc= -0.414 K(o=-0.41,f=-2.7!) USER MOD Single : A 72 SER OG : rot -92:sc= -1.53 USER MOD Single : A 73 HIS :FLIP no HE2:sc= -0.274 F(o=-0.98,f=-0.27) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -145:sc= 0 (180deg=-0.419) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 5:sc= -0.65 USER MOD Single : A 90 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.53) USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= -0.12 (180deg=-0.52) USER MOD Single : A 96 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.166) USER MOD Single : A 98 GLN : amide:sc= -0.898 K(o=-0.9,f=-9.4!) USER MOD Single : A 99 ASN : amide:sc= -2.71! C(o=-2.7!,f=-9.2!) USER MOD Single : A 100 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.0318) USER MOD Single : A 101 SER OG : rot 180:sc= -2.75! USER MOD Single : A 102 TYR OH : rot 150:sc= -1.42 USER MOD Single : A 107 LYS NZ :NH3+ -161:sc= -0.0365 (180deg=-0.572) USER MOD Single : A 110 GLN : amide:sc= -0.071 K(o=-0.071,f=-1.1!) USER MOD Single : A 111 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.113) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN :FLIP amide:sc= 1.35 F(o=-2.3!,f=1.3) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.81) USER MOD Single : A 123 HIS :FLIP no HD1:sc= -0.937 F(o=-3.8!,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 85 N MET A 5 101.787 5.797 13.439 1.00 0.00 N ATOM 86 CA MET A 5 101.614 5.430 12.006 1.00 0.00 C ATOM 87 C MET A 5 102.423 6.388 11.132 1.00 0.00 C ATOM 88 O MET A 5 101.889 7.034 10.252 1.00 0.00 O ATOM 89 CB MET A 5 100.135 5.531 11.624 1.00 0.00 C ATOM 90 CG MET A 5 99.281 4.835 12.685 1.00 0.00 C ATOM 91 SD MET A 5 97.589 4.649 12.070 1.00 0.00 S ATOM 92 CE MET A 5 96.899 3.855 13.543 1.00 0.00 C ATOM 0 HA MET A 5 101.963 4.409 11.853 1.00 0.00 H new ATOM 0 HB2 MET A 5 99.842 6.577 11.537 1.00 0.00 H new ATOM 0 HB3 MET A 5 99.969 5.071 10.650 1.00 0.00 H new ATOM 0 HG2 MET A 5 99.702 3.858 12.923 1.00 0.00 H new ATOM 0 HG3 MET A 5 99.282 5.416 13.607 1.00 0.00 H new ATOM 0 HE1 MET A 5 95.841 3.646 13.382 1.00 0.00 H new ATOM 0 HE2 MET A 5 97.428 2.922 13.735 1.00 0.00 H new ATOM 0 HE3 MET A 5 97.011 4.519 14.400 1.00 0.00 H new ATOM 102 N THR A 6 103.707 6.479 11.355 1.00 0.00 N ATOM 103 CA THR A 6 104.544 7.387 10.519 1.00 0.00 C ATOM 104 C THR A 6 104.150 7.199 9.050 1.00 0.00 C ATOM 105 O THR A 6 103.556 6.207 8.685 1.00 0.00 O ATOM 106 CB THR A 6 106.027 7.037 10.721 1.00 0.00 C ATOM 107 OG1 THR A 6 106.507 7.698 11.883 1.00 0.00 O ATOM 108 CG2 THR A 6 106.851 7.486 9.513 1.00 0.00 C ATOM 0 H THR A 6 104.211 5.965 12.078 1.00 0.00 H new ATOM 0 HA THR A 6 104.385 8.426 10.808 1.00 0.00 H new ATOM 0 HB THR A 6 106.124 5.957 10.834 1.00 0.00 H new ATOM 0 HG1 THR A 6 106.989 8.510 11.622 1.00 0.00 H new ATOM 0 HG21 THR A 6 107.899 7.231 9.672 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.487 6.983 8.617 1.00 0.00 H new ATOM 0 HG23 THR A 6 106.755 8.565 9.388 1.00 0.00 H new ATOM 116 N SER A 7 104.465 8.139 8.204 1.00 0.00 N ATOM 117 CA SER A 7 104.093 7.994 6.766 1.00 0.00 C ATOM 118 C SER A 7 104.459 6.586 6.289 1.00 0.00 C ATOM 119 O SER A 7 103.620 5.833 5.836 1.00 0.00 O ATOM 120 CB SER A 7 104.853 9.029 5.936 1.00 0.00 C ATOM 121 OG SER A 7 104.260 9.125 4.648 1.00 0.00 O ATOM 0 H SER A 7 104.961 8.998 8.442 1.00 0.00 H new ATOM 0 HA SER A 7 103.021 8.152 6.647 1.00 0.00 H new ATOM 0 HB2 SER A 7 104.830 9.999 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 7 105.901 8.742 5.846 1.00 0.00 H new ATOM 0 HG SER A 7 104.636 9.894 4.171 1.00 0.00 H new ATOM 127 N SER A 8 105.707 6.228 6.394 1.00 0.00 N ATOM 128 CA SER A 8 106.142 4.871 5.956 1.00 0.00 C ATOM 129 C SER A 8 105.453 3.804 6.796 1.00 0.00 C ATOM 130 O SER A 8 105.203 2.712 6.333 1.00 0.00 O ATOM 131 CB SER A 8 107.651 4.746 6.125 1.00 0.00 C ATOM 132 OG SER A 8 108.295 5.568 5.163 1.00 0.00 O ATOM 0 H SER A 8 106.450 6.820 6.766 1.00 0.00 H new ATOM 0 HA SER A 8 105.873 4.731 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 8 107.943 5.046 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 8 107.959 3.708 5.999 1.00 0.00 H new ATOM 0 HG SER A 8 107.642 6.185 4.770 1.00 0.00 H new ATOM 138 N GLN A 9 105.147 4.097 8.023 1.00 0.00 N ATOM 139 CA GLN A 9 104.474 3.076 8.869 1.00 0.00 C ATOM 140 C GLN A 9 103.080 2.802 8.307 1.00 0.00 C ATOM 141 O GLN A 9 102.708 1.675 8.066 1.00 0.00 O ATOM 142 CB GLN A 9 104.365 3.594 10.300 1.00 0.00 C ATOM 143 CG GLN A 9 105.664 3.297 11.048 1.00 0.00 C ATOM 144 CD GLN A 9 105.668 1.840 11.515 1.00 0.00 C ATOM 145 OE1 GLN A 9 104.947 1.018 10.985 1.00 0.00 O ATOM 146 NE2 GLN A 9 106.456 1.483 12.492 1.00 0.00 N ATOM 0 H GLN A 9 105.331 4.992 8.477 1.00 0.00 H new ATOM 0 HA GLN A 9 105.053 2.153 8.868 1.00 0.00 H new ATOM 0 HB2 GLN A 9 104.172 4.667 10.296 1.00 0.00 H new ATOM 0 HB3 GLN A 9 103.524 3.120 10.807 1.00 0.00 H new ATOM 0 HG2 GLN A 9 106.520 3.483 10.399 1.00 0.00 H new ATOM 0 HG3 GLN A 9 105.762 3.964 11.905 1.00 0.00 H new ATOM 0 HE21 GLN A 9 107.061 2.173 12.937 1.00 0.00 H new ATOM 0 HE22 GLN A 9 106.467 0.514 12.811 1.00 0.00 H new ATOM 155 N TRP A 10 102.310 3.825 8.082 1.00 0.00 N ATOM 156 CA TRP A 10 100.951 3.616 7.522 1.00 0.00 C ATOM 157 C TRP A 10 101.085 2.909 6.171 1.00 0.00 C ATOM 158 O TRP A 10 100.272 2.088 5.788 1.00 0.00 O ATOM 159 CB TRP A 10 100.263 4.984 7.357 1.00 0.00 C ATOM 160 CG TRP A 10 99.399 5.003 6.132 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.418 5.973 5.189 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.397 4.036 5.703 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.493 5.663 4.209 1.00 0.00 N ATOM 164 CE2 TRP A 10 97.840 4.478 4.480 1.00 0.00 C ATOM 165 CE3 TRP A 10 97.922 2.830 6.249 1.00 0.00 C ATOM 166 CZ2 TRP A 10 96.848 3.748 3.824 1.00 0.00 C ATOM 167 CZ3 TRP A 10 96.927 2.094 5.589 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.393 2.552 4.381 1.00 0.00 C ATOM 0 H TRP A 10 102.563 4.797 8.262 1.00 0.00 H new ATOM 0 HA TRP A 10 100.347 3.000 8.188 1.00 0.00 H new ATOM 0 HB2 TRP A 10 99.658 5.200 8.237 1.00 0.00 H new ATOM 0 HB3 TRP A 10 101.016 5.769 7.288 1.00 0.00 H new ATOM 0 HD1 TRP A 10 100.052 6.847 5.200 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.315 6.240 3.387 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.326 2.468 7.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.435 4.106 2.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.571 1.168 6.017 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.627 1.980 3.878 1.00 0.00 H new ATOM 179 N PHE A 11 102.113 3.226 5.448 1.00 0.00 N ATOM 180 CA PHE A 11 102.308 2.594 4.114 1.00 0.00 C ATOM 181 C PHE A 11 102.915 1.199 4.251 1.00 0.00 C ATOM 182 O PHE A 11 102.918 0.436 3.313 1.00 0.00 O ATOM 183 CB PHE A 11 103.200 3.482 3.238 1.00 0.00 C ATOM 184 CG PHE A 11 102.398 3.919 2.038 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.581 5.050 2.122 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.452 3.179 0.852 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.816 5.443 1.022 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.691 3.573 -0.250 1.00 0.00 C ATOM 189 CZ PHE A 11 100.870 4.704 -0.167 1.00 0.00 C ATOM 0 H PHE A 11 102.831 3.897 5.720 1.00 0.00 H new ATOM 0 HA PHE A 11 101.333 2.490 3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.543 4.349 3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.088 2.935 2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.541 5.620 3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.082 2.304 0.789 1.00 0.00 H new ATOM 0 HE1 PHE A 11 100.183 6.316 1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.736 3.005 -1.167 1.00 0.00 H new ATOM 0 HZ PHE A 11 100.279 5.006 -1.019 1.00 0.00 H new ATOM 199 N LYS A 12 103.410 0.838 5.399 1.00 0.00 N ATOM 200 CA LYS A 12 103.971 -0.533 5.540 1.00 0.00 C ATOM 201 C LYS A 12 102.816 -1.460 5.916 1.00 0.00 C ATOM 202 O LYS A 12 102.821 -2.635 5.647 1.00 0.00 O ATOM 203 CB LYS A 12 105.087 -0.558 6.603 1.00 0.00 C ATOM 204 CG LYS A 12 104.505 -0.652 8.025 1.00 0.00 C ATOM 205 CD LYS A 12 104.419 -2.113 8.483 1.00 0.00 C ATOM 206 CE LYS A 12 104.299 -2.163 10.008 1.00 0.00 C ATOM 207 NZ LYS A 12 105.625 -1.863 10.620 1.00 0.00 N ATOM 0 H LYS A 12 103.451 1.422 6.234 1.00 0.00 H new ATOM 0 HA LYS A 12 104.425 -0.864 4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 12 105.746 -1.407 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.695 0.342 6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.129 -0.086 8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.513 -0.200 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 12 103.558 -2.599 8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.305 -2.660 8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 12 103.557 -1.441 10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 12 103.955 -3.148 10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 105.764 -2.463 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 106.378 -2.055 9.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 105.659 -0.862 10.901 1.00 0.00 H new ATOM 221 N ILE A 13 101.792 -0.923 6.486 1.00 0.00 N ATOM 222 CA ILE A 13 100.615 -1.767 6.826 1.00 0.00 C ATOM 223 C ILE A 13 99.739 -1.809 5.584 1.00 0.00 C ATOM 224 O ILE A 13 98.903 -2.674 5.412 1.00 0.00 O ATOM 225 CB ILE A 13 99.845 -1.168 8.015 1.00 0.00 C ATOM 226 CG1 ILE A 13 99.835 0.364 7.914 1.00 0.00 C ATOM 227 CG2 ILE A 13 100.517 -1.601 9.324 1.00 0.00 C ATOM 228 CD1 ILE A 13 99.541 0.995 9.283 1.00 0.00 C ATOM 0 H ILE A 13 101.710 0.063 6.735 1.00 0.00 H new ATOM 0 HA ILE A 13 100.923 -2.770 7.120 1.00 0.00 H new ATOM 0 HB ILE A 13 98.816 -1.528 7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 13 100.798 0.716 7.545 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.082 0.681 7.192 1.00 0.00 H new ATOM 0 HG21 ILE A 13 99.974 -1.178 10.169 1.00 0.00 H new ATOM 0 HG22 ILE A 13 100.509 -2.689 9.395 1.00 0.00 H new ATOM 0 HG23 ILE A 13 101.547 -1.244 9.340 1.00 0.00 H new ATOM 0 HD11 ILE A 13 99.538 2.081 9.190 1.00 0.00 H new ATOM 0 HD12 ILE A 13 98.566 0.659 9.637 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.309 0.694 9.995 1.00 0.00 H new ATOM 240 N GLN A 14 99.952 -0.865 4.712 1.00 0.00 N ATOM 241 CA GLN A 14 99.175 -0.796 3.449 1.00 0.00 C ATOM 242 C GLN A 14 100.026 -1.353 2.284 1.00 0.00 C ATOM 243 O GLN A 14 99.532 -1.552 1.192 1.00 0.00 O ATOM 244 CB GLN A 14 98.824 0.685 3.190 1.00 0.00 C ATOM 245 CG GLN A 14 99.312 1.120 1.814 1.00 0.00 C ATOM 246 CD GLN A 14 98.956 2.589 1.582 1.00 0.00 C ATOM 247 OE1 GLN A 14 99.277 3.477 2.483 1.00 0.00 O flip ATOM 248 NE2 GLN A 14 98.380 2.934 0.570 1.00 0.00 N flip ATOM 0 H GLN A 14 100.645 -0.126 4.826 1.00 0.00 H new ATOM 0 HA GLN A 14 98.265 -1.390 3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.745 0.826 3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.278 1.311 3.958 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.390 0.981 1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 14 98.856 0.499 1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 14 98.128 2.241 -0.135 1.00 0.00 H new ATOM 0 HE22 GLN A 14 98.148 3.917 0.425 1.00 0.00 H new ATOM 257 N HIS A 15 101.310 -1.556 2.484 1.00 0.00 N ATOM 258 CA HIS A 15 102.170 -2.029 1.352 1.00 0.00 C ATOM 259 C HIS A 15 103.390 -2.833 1.845 1.00 0.00 C ATOM 260 O HIS A 15 104.382 -2.933 1.150 1.00 0.00 O ATOM 261 CB HIS A 15 102.677 -0.785 0.606 1.00 0.00 C ATOM 262 CG HIS A 15 102.100 -0.733 -0.782 1.00 0.00 C ATOM 263 ND1 HIS A 15 100.848 -0.411 -1.241 1.00 0.00 N flip ATOM 264 CD2 HIS A 15 102.853 -1.029 -1.909 1.00 0.00 C flip ATOM 265 CE1 HIS A 15 100.824 -0.504 -2.627 1.00 0.00 C flip ATOM 266 NE2 HIS A 15 102.053 -0.879 -2.981 1.00 0.00 N flip ATOM 0 H HIS A 15 101.793 -1.416 3.371 1.00 0.00 H new ATOM 0 HA HIS A 15 101.577 -2.683 0.713 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.400 0.114 1.156 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.766 -0.803 0.553 1.00 0.00 H new ATOM 0 HD1 HIS A 15 100.057 -0.144 -0.655 1.00 0.00 H new ATOM 0 HD2 HIS A 15 103.891 -1.326 -1.924 1.00 0.00 H new ATOM 0 HE1 HIS A 15 99.986 -0.313 -3.280 1.00 0.00 H new ATOM 275 N MET A 16 103.342 -3.414 3.012 1.00 0.00 N ATOM 276 CA MET A 16 104.527 -4.205 3.490 1.00 0.00 C ATOM 277 C MET A 16 104.307 -5.690 3.215 1.00 0.00 C ATOM 278 O MET A 16 103.303 -6.262 3.589 1.00 0.00 O ATOM 279 CB MET A 16 104.748 -4.001 5.001 1.00 0.00 C ATOM 280 CG MET A 16 103.783 -4.879 5.812 1.00 0.00 C ATOM 281 SD MET A 16 104.467 -6.549 5.976 1.00 0.00 S ATOM 282 CE MET A 16 104.974 -6.430 7.709 1.00 0.00 C ATOM 0 H MET A 16 102.549 -3.381 3.652 1.00 0.00 H new ATOM 0 HA MET A 16 105.408 -3.854 2.952 1.00 0.00 H new ATOM 0 HB2 MET A 16 105.778 -4.248 5.260 1.00 0.00 H new ATOM 0 HB3 MET A 16 104.597 -2.952 5.258 1.00 0.00 H new ATOM 0 HG2 MET A 16 103.621 -4.443 6.798 1.00 0.00 H new ATOM 0 HG3 MET A 16 102.812 -4.920 5.319 1.00 0.00 H new ATOM 0 HE1 MET A 16 105.429 -7.370 8.020 1.00 0.00 H new ATOM 0 HE2 MET A 16 105.697 -5.622 7.822 1.00 0.00 H new ATOM 0 HE3 MET A 16 104.102 -6.226 8.330 1.00 0.00 H new ATOM 292 N GLN A 17 105.251 -6.323 2.574 1.00 0.00 N ATOM 293 CA GLN A 17 105.113 -7.775 2.292 1.00 0.00 C ATOM 294 C GLN A 17 106.028 -8.612 3.217 1.00 0.00 C ATOM 295 O GLN A 17 105.859 -9.811 3.310 1.00 0.00 O ATOM 296 CB GLN A 17 105.468 -8.052 0.830 1.00 0.00 C ATOM 297 CG GLN A 17 104.931 -9.429 0.435 1.00 0.00 C ATOM 298 CD GLN A 17 105.824 -10.043 -0.645 1.00 0.00 C ATOM 299 OE1 GLN A 17 106.136 -9.402 -1.630 1.00 0.00 O ATOM 300 NE2 GLN A 17 106.252 -11.267 -0.502 1.00 0.00 N ATOM 0 H GLN A 17 106.112 -5.895 2.234 1.00 0.00 H new ATOM 0 HA GLN A 17 104.079 -8.063 2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 17 105.040 -7.283 0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.549 -8.017 0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.899 -10.081 1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.909 -9.339 0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 17 105.991 -11.805 0.324 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.848 -11.686 -1.216 1.00 0.00 H new ATOM 309 N PRO A 18 106.987 -8.019 3.910 1.00 0.00 N ATOM 310 CA PRO A 18 107.883 -8.793 4.814 1.00 0.00 C ATOM 311 C PRO A 18 107.101 -9.808 5.657 1.00 0.00 C ATOM 312 O PRO A 18 107.636 -10.807 6.092 1.00 0.00 O ATOM 313 CB PRO A 18 108.519 -7.723 5.706 1.00 0.00 C ATOM 314 CG PRO A 18 108.519 -6.475 4.884 1.00 0.00 C ATOM 315 CD PRO A 18 107.327 -6.582 3.924 1.00 0.00 C ATOM 0 HA PRO A 18 108.616 -9.379 4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 18 107.950 -7.588 6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 18 109.532 -8.003 5.996 1.00 0.00 H new ATOM 0 HG2 PRO A 18 108.428 -5.593 5.518 1.00 0.00 H new ATOM 0 HG3 PRO A 18 109.453 -6.375 4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 18 106.486 -5.979 4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.588 -6.227 2.927 1.00 0.00 H new ATOM 323 N SER A 19 105.836 -9.553 5.880 1.00 0.00 N ATOM 324 CA SER A 19 105.000 -10.493 6.689 1.00 0.00 C ATOM 325 C SER A 19 103.777 -9.743 7.233 1.00 0.00 C ATOM 326 O SER A 19 103.651 -9.526 8.422 1.00 0.00 O ATOM 327 CB SER A 19 105.821 -11.049 7.860 1.00 0.00 C ATOM 328 OG SER A 19 106.456 -12.255 7.455 1.00 0.00 O ATOM 0 H SER A 19 105.344 -8.729 5.534 1.00 0.00 H new ATOM 0 HA SER A 19 104.675 -11.320 6.057 1.00 0.00 H new ATOM 0 HB2 SER A 19 106.567 -10.319 8.176 1.00 0.00 H new ATOM 0 HB3 SER A 19 105.174 -11.235 8.717 1.00 0.00 H new ATOM 0 HG SER A 19 107.186 -12.048 6.835 1.00 0.00 H new ATOM 334 N PRO A 20 102.884 -9.351 6.364 1.00 0.00 N ATOM 335 CA PRO A 20 101.650 -8.614 6.750 1.00 0.00 C ATOM 336 C PRO A 20 100.534 -9.557 7.213 1.00 0.00 C ATOM 337 O PRO A 20 99.622 -9.152 7.901 1.00 0.00 O ATOM 338 CB PRO A 20 101.252 -7.909 5.458 1.00 0.00 C ATOM 339 CG PRO A 20 101.730 -8.810 4.363 1.00 0.00 C ATOM 340 CD PRO A 20 102.951 -9.565 4.909 1.00 0.00 C ATOM 0 HA PRO A 20 101.817 -7.938 7.589 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.173 -7.761 5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 20 101.713 -6.924 5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 20 100.946 -9.507 4.066 1.00 0.00 H new ATOM 0 HG3 PRO A 20 101.997 -8.234 3.477 1.00 0.00 H new ATOM 0 HD2 PRO A 20 102.908 -10.625 4.660 1.00 0.00 H new ATOM 0 HD3 PRO A 20 103.880 -9.176 4.491 1.00 0.00 H new ATOM 348 N GLN A 21 100.618 -10.806 6.824 1.00 0.00 N ATOM 349 CA GLN A 21 99.589 -11.832 7.206 1.00 0.00 C ATOM 350 C GLN A 21 98.591 -12.009 6.060 1.00 0.00 C ATOM 351 O GLN A 21 97.394 -11.941 6.251 1.00 0.00 O ATOM 352 CB GLN A 21 98.834 -11.430 8.483 1.00 0.00 C ATOM 353 CG GLN A 21 99.833 -11.097 9.608 1.00 0.00 C ATOM 354 CD GLN A 21 99.717 -12.134 10.729 1.00 0.00 C ATOM 355 OE1 GLN A 21 98.834 -12.053 11.558 1.00 0.00 O ATOM 356 NE2 GLN A 21 100.579 -13.112 10.788 1.00 0.00 N ATOM 0 H GLN A 21 101.374 -11.169 6.243 1.00 0.00 H new ATOM 0 HA GLN A 21 100.108 -12.770 7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 21 98.199 -10.567 8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 21 98.178 -12.242 8.797 1.00 0.00 H new ATOM 0 HG2 GLN A 21 100.849 -11.087 9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 21 99.634 -10.100 10.001 1.00 0.00 H new ATOM 0 HE21 GLN A 21 101.321 -13.180 10.092 1.00 0.00 H new ATOM 0 HE22 GLN A 21 100.511 -13.808 11.531 1.00 0.00 H new ATOM 365 N ALA A 22 99.082 -12.243 4.872 1.00 0.00 N ATOM 366 CA ALA A 22 98.177 -12.436 3.701 1.00 0.00 C ATOM 367 C ALA A 22 97.629 -11.094 3.244 1.00 0.00 C ATOM 368 O ALA A 22 97.113 -10.325 4.030 1.00 0.00 O ATOM 369 CB ALA A 22 96.994 -13.332 4.085 1.00 0.00 C ATOM 0 H ALA A 22 100.078 -12.309 4.661 1.00 0.00 H new ATOM 0 HA ALA A 22 98.751 -12.902 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 22 96.342 -13.464 3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 22 97.365 -14.304 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.433 -12.866 4.895 1.00 0.00 H new ATOM 375 N CYS A 23 97.701 -10.814 1.977 1.00 0.00 N ATOM 376 CA CYS A 23 97.142 -9.534 1.495 1.00 0.00 C ATOM 377 C CYS A 23 95.708 -9.452 1.966 1.00 0.00 C ATOM 378 O CYS A 23 95.178 -8.395 2.204 1.00 0.00 O ATOM 379 CB CYS A 23 97.153 -9.497 -0.014 1.00 0.00 C ATOM 380 SG CYS A 23 98.840 -9.763 -0.606 1.00 0.00 S ATOM 0 H CYS A 23 98.119 -11.411 1.263 1.00 0.00 H new ATOM 0 HA CYS A 23 97.736 -8.703 1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.490 -10.265 -0.413 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.778 -8.537 -0.368 1.00 0.00 H new ATOM 385 N ASN A 24 95.069 -10.569 2.104 1.00 0.00 N ATOM 386 CA ASN A 24 93.666 -10.536 2.577 1.00 0.00 C ATOM 387 C ASN A 24 93.612 -9.697 3.857 1.00 0.00 C ATOM 388 O ASN A 24 92.834 -8.776 3.974 1.00 0.00 O ATOM 389 CB ASN A 24 93.183 -11.961 2.862 1.00 0.00 C ATOM 390 CG ASN A 24 91.852 -11.911 3.617 1.00 0.00 C ATOM 391 OD1 ASN A 24 91.826 -11.458 4.840 1.00 0.00 O flip ATOM 392 ND2 ASN A 24 90.826 -12.289 3.088 1.00 0.00 N flip ATOM 0 H ASN A 24 95.450 -11.495 1.913 1.00 0.00 H new ATOM 0 HA ASN A 24 93.020 -10.098 1.816 1.00 0.00 H new ATOM 0 HB2 ASN A 24 93.062 -12.509 1.927 1.00 0.00 H new ATOM 0 HB3 ASN A 24 93.927 -12.497 3.451 1.00 0.00 H new ATOM 0 HD21 ASN A 24 90.846 -12.643 2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 24 89.945 -12.252 3.600 1.00 0.00 H new ATOM 399 N SER A 25 94.451 -9.999 4.813 1.00 0.00 N ATOM 400 CA SER A 25 94.451 -9.217 6.087 1.00 0.00 C ATOM 401 C SER A 25 95.227 -7.908 5.900 1.00 0.00 C ATOM 402 O SER A 25 94.868 -6.870 6.429 1.00 0.00 O ATOM 403 CB SER A 25 95.115 -10.044 7.188 1.00 0.00 C ATOM 404 OG SER A 25 94.827 -9.461 8.452 1.00 0.00 O ATOM 0 H SER A 25 95.136 -10.753 4.768 1.00 0.00 H new ATOM 0 HA SER A 25 93.422 -8.987 6.365 1.00 0.00 H new ATOM 0 HB2 SER A 25 94.751 -11.071 7.157 1.00 0.00 H new ATOM 0 HB3 SER A 25 96.193 -10.083 7.030 1.00 0.00 H new ATOM 0 HG SER A 25 95.250 -9.990 9.160 1.00 0.00 H new ATOM 410 N ALA A 26 96.281 -7.946 5.143 1.00 0.00 N ATOM 411 CA ALA A 26 97.077 -6.711 4.910 1.00 0.00 C ATOM 412 C ALA A 26 96.161 -5.651 4.328 1.00 0.00 C ATOM 413 O ALA A 26 96.237 -4.482 4.653 1.00 0.00 O ATOM 414 CB ALA A 26 98.185 -7.022 3.915 1.00 0.00 C ATOM 0 H ALA A 26 96.629 -8.781 4.672 1.00 0.00 H new ATOM 0 HA ALA A 26 97.512 -6.355 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.776 -6.124 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.828 -7.804 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.747 -7.361 2.976 1.00 0.00 H new ATOM 420 N MET A 27 95.295 -6.068 3.465 1.00 0.00 N ATOM 421 CA MET A 27 94.351 -5.129 2.833 1.00 0.00 C ATOM 422 C MET A 27 93.233 -4.824 3.825 1.00 0.00 C ATOM 423 O MET A 27 92.619 -3.776 3.785 1.00 0.00 O ATOM 424 CB MET A 27 93.783 -5.794 1.579 1.00 0.00 C ATOM 425 CG MET A 27 92.892 -4.823 0.791 1.00 0.00 C ATOM 426 SD MET A 27 93.406 -3.110 1.042 1.00 0.00 S ATOM 427 CE MET A 27 91.791 -2.349 0.745 1.00 0.00 C ATOM 0 H MET A 27 95.200 -7.038 3.166 1.00 0.00 H new ATOM 0 HA MET A 27 94.846 -4.198 2.557 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.600 -6.138 0.945 1.00 0.00 H new ATOM 0 HB3 MET A 27 93.206 -6.674 1.861 1.00 0.00 H new ATOM 0 HG2 MET A 27 92.936 -5.066 -0.271 1.00 0.00 H new ATOM 0 HG3 MET A 27 91.855 -4.943 1.103 1.00 0.00 H new ATOM 0 HE1 MET A 27 91.911 -1.271 0.638 1.00 0.00 H new ATOM 0 HE2 MET A 27 91.358 -2.758 -0.168 1.00 0.00 H new ATOM 0 HE3 MET A 27 91.130 -2.559 1.586 1.00 0.00 H new ATOM 437 N LYS A 28 92.969 -5.735 4.724 1.00 0.00 N ATOM 438 CA LYS A 28 91.893 -5.492 5.727 1.00 0.00 C ATOM 439 C LYS A 28 92.236 -4.251 6.551 1.00 0.00 C ATOM 440 O LYS A 28 91.363 -3.545 7.012 1.00 0.00 O ATOM 441 CB LYS A 28 91.765 -6.695 6.665 1.00 0.00 C ATOM 442 CG LYS A 28 91.052 -7.844 5.946 1.00 0.00 C ATOM 443 CD LYS A 28 89.570 -7.500 5.713 1.00 0.00 C ATOM 444 CE LYS A 28 89.282 -7.448 4.207 1.00 0.00 C ATOM 445 NZ LYS A 28 87.809 -7.412 3.988 1.00 0.00 N ATOM 0 H LYS A 28 93.449 -6.631 4.807 1.00 0.00 H new ATOM 0 HA LYS A 28 90.949 -5.342 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.753 -7.018 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 28 91.208 -6.413 7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.540 -8.041 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.131 -8.756 6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 28 88.934 -8.246 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.333 -6.540 6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 28 89.748 -6.567 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.714 -8.318 3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.590 -6.766 3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.469 -8.367 3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 87.338 -7.078 4.853 1.00 0.00 H new ATOM 459 N ASN A 29 93.497 -3.972 6.744 1.00 0.00 N ATOM 460 CA ASN A 29 93.861 -2.765 7.544 1.00 0.00 C ATOM 461 C ASN A 29 93.487 -1.509 6.751 1.00 0.00 C ATOM 462 O ASN A 29 93.143 -0.476 7.300 1.00 0.00 O ATOM 463 CB ASN A 29 95.367 -2.771 7.816 1.00 0.00 C ATOM 464 CG ASN A 29 95.730 -1.577 8.702 1.00 0.00 C ATOM 465 OD1 ASN A 29 95.618 -1.646 9.910 1.00 0.00 O ATOM 466 ND2 ASN A 29 96.164 -0.478 8.149 1.00 0.00 N ATOM 0 H ASN A 29 94.282 -4.518 6.389 1.00 0.00 H new ATOM 0 HA ASN A 29 93.324 -2.773 8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 29 95.655 -3.701 8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 29 95.917 -2.721 6.876 1.00 0.00 H new ATOM 0 HD21 ASN A 29 96.409 0.323 8.731 1.00 0.00 H new ATOM 0 HD22 ASN A 29 96.258 -0.420 7.135 1.00 0.00 H new ATOM 473 N ILE A 30 93.554 -1.597 5.459 1.00 0.00 N ATOM 474 CA ILE A 30 93.218 -0.427 4.609 1.00 0.00 C ATOM 475 C ILE A 30 91.697 -0.272 4.521 1.00 0.00 C ATOM 476 O ILE A 30 91.184 0.819 4.412 1.00 0.00 O ATOM 477 CB ILE A 30 93.805 -0.655 3.216 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.184 -1.316 3.373 1.00 0.00 C ATOM 479 CG2 ILE A 30 93.934 0.680 2.454 1.00 0.00 C ATOM 480 CD1 ILE A 30 95.899 -1.391 2.020 1.00 0.00 C ATOM 0 H ILE A 30 93.829 -2.436 4.949 1.00 0.00 H new ATOM 0 HA ILE A 30 93.635 0.483 5.040 1.00 0.00 H new ATOM 0 HB ILE A 30 93.144 -1.303 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 30 95.788 -0.747 4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.069 -2.318 3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.354 0.495 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 30 92.950 1.137 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 30 94.590 1.353 3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 30 96.874 -1.862 2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 30 95.301 -1.980 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 30 96.032 -0.385 1.622 1.00 0.00 H new ATOM 492 N ASN A 31 90.972 -1.353 4.584 1.00 0.00 N ATOM 493 CA ASN A 31 89.486 -1.255 4.519 1.00 0.00 C ATOM 494 C ASN A 31 88.980 -0.699 5.848 1.00 0.00 C ATOM 495 O ASN A 31 87.852 -0.268 5.970 1.00 0.00 O ATOM 496 CB ASN A 31 88.889 -2.648 4.264 1.00 0.00 C ATOM 497 CG ASN A 31 88.428 -3.285 5.580 1.00 0.00 C ATOM 498 OD1 ASN A 31 89.104 -3.189 6.585 1.00 0.00 O ATOM 499 ND2 ASN A 31 87.297 -3.935 5.614 1.00 0.00 N ATOM 0 H ASN A 31 91.342 -2.299 4.678 1.00 0.00 H new ATOM 0 HA ASN A 31 89.185 -0.594 3.706 1.00 0.00 H new ATOM 0 HB2 ASN A 31 88.046 -2.569 3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 31 89.632 -3.286 3.785 1.00 0.00 H new ATOM 0 HD21 ASN A 31 86.980 -4.362 6.484 1.00 0.00 H new ATOM 0 HD22 ASN A 31 86.730 -4.016 4.770 1.00 0.00 H new ATOM 506 N LYS A 32 89.813 -0.701 6.849 1.00 0.00 N ATOM 507 CA LYS A 32 89.377 -0.174 8.167 1.00 0.00 C ATOM 508 C LYS A 32 89.604 1.337 8.195 1.00 0.00 C ATOM 509 O LYS A 32 88.803 2.084 8.719 1.00 0.00 O ATOM 510 CB LYS A 32 90.158 -0.888 9.290 1.00 0.00 C ATOM 511 CG LYS A 32 91.488 -0.178 9.598 1.00 0.00 C ATOM 512 CD LYS A 32 91.306 0.782 10.779 1.00 0.00 C ATOM 513 CE LYS A 32 92.558 1.648 10.930 1.00 0.00 C ATOM 514 NZ LYS A 32 92.471 2.429 12.196 1.00 0.00 N ATOM 0 H LYS A 32 90.773 -1.044 6.811 1.00 0.00 H new ATOM 0 HA LYS A 32 88.316 -0.365 8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.547 -0.924 10.192 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.355 -1.919 8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.257 -0.914 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 32 91.829 0.372 8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 32 90.432 1.413 10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.128 0.219 11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 32 93.449 1.020 10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 32 92.651 2.323 10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 93.322 3.018 12.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 91.629 3.039 12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 92.402 1.776 13.003 1.00 0.00 H new ATOM 528 N HIS A 33 90.692 1.795 7.634 1.00 0.00 N ATOM 529 CA HIS A 33 90.961 3.260 7.634 1.00 0.00 C ATOM 530 C HIS A 33 90.346 3.917 6.385 1.00 0.00 C ATOM 531 O HIS A 33 90.126 5.112 6.353 1.00 0.00 O ATOM 532 CB HIS A 33 92.481 3.487 7.696 1.00 0.00 C ATOM 533 CG HIS A 33 92.970 4.186 6.458 1.00 0.00 C ATOM 534 ND1 HIS A 33 92.846 5.557 6.278 1.00 0.00 N ATOM 535 CD2 HIS A 33 93.597 3.714 5.337 1.00 0.00 C ATOM 536 CE1 HIS A 33 93.391 5.858 5.085 1.00 0.00 C ATOM 537 NE2 HIS A 33 93.862 4.770 4.473 1.00 0.00 N ATOM 0 H HIS A 33 91.401 1.221 7.179 1.00 0.00 H new ATOM 0 HA HIS A 33 90.499 3.723 8.506 1.00 0.00 H new ATOM 0 HB2 HIS A 33 92.728 4.081 8.576 1.00 0.00 H new ATOM 0 HB3 HIS A 33 92.992 2.530 7.804 1.00 0.00 H new ATOM 0 HD2 HIS A 33 93.847 2.680 5.152 1.00 0.00 H new ATOM 0 HE1 HIS A 33 93.441 6.856 4.674 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.320 4.723 3.563 1.00 0.00 H new ATOM 546 N THR A 34 90.058 3.152 5.360 1.00 0.00 N ATOM 547 CA THR A 34 89.450 3.748 4.126 1.00 0.00 C ATOM 548 C THR A 34 87.943 3.508 4.132 1.00 0.00 C ATOM 549 O THR A 34 87.214 4.069 3.338 1.00 0.00 O ATOM 550 CB THR A 34 90.031 3.088 2.871 1.00 0.00 C ATOM 551 OG1 THR A 34 89.696 1.707 2.868 1.00 0.00 O ATOM 552 CG2 THR A 34 91.547 3.246 2.851 1.00 0.00 C ATOM 0 H THR A 34 90.216 2.145 5.323 1.00 0.00 H new ATOM 0 HA THR A 34 89.670 4.816 4.117 1.00 0.00 H new ATOM 0 HB THR A 34 89.613 3.569 1.987 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.095 1.272 3.650 1.00 0.00 H new ATOM 0 HG21 THR A 34 91.950 2.774 1.955 1.00 0.00 H new ATOM 0 HG22 THR A 34 91.802 4.306 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 34 91.974 2.772 3.735 1.00 0.00 H new ATOM 560 N LYS A 35 87.468 2.665 5.004 1.00 0.00 N ATOM 561 CA LYS A 35 86.006 2.382 5.032 1.00 0.00 C ATOM 562 C LYS A 35 85.579 1.861 3.655 1.00 0.00 C ATOM 563 O LYS A 35 84.521 2.185 3.156 1.00 0.00 O ATOM 564 CB LYS A 35 85.237 3.665 5.359 1.00 0.00 C ATOM 565 CG LYS A 35 85.935 4.406 6.501 1.00 0.00 C ATOM 566 CD LYS A 35 86.107 3.464 7.695 1.00 0.00 C ATOM 567 CE LYS A 35 86.440 4.279 8.946 1.00 0.00 C ATOM 568 NZ LYS A 35 85.276 5.139 9.303 1.00 0.00 N ATOM 0 H LYS A 35 88.024 2.162 5.695 1.00 0.00 H new ATOM 0 HA LYS A 35 85.788 1.635 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.183 4.303 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.212 3.424 5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 35 86.907 4.771 6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.350 5.278 6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.193 2.891 7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 35 86.902 2.746 7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 35 86.681 3.612 9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 35 87.321 4.896 8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 85.285 5.329 10.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 85.336 6.038 8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 84.393 4.651 9.049 1.00 0.00 H new ATOM 582 N ARG A 36 86.408 1.061 3.037 1.00 0.00 N ATOM 583 CA ARG A 36 86.073 0.519 1.687 1.00 0.00 C ATOM 584 C ARG A 36 87.199 -0.419 1.232 1.00 0.00 C ATOM 585 O ARG A 36 88.349 -0.225 1.571 1.00 0.00 O ATOM 586 CB ARG A 36 85.938 1.683 0.702 1.00 0.00 C ATOM 587 CG ARG A 36 86.044 1.168 -0.736 1.00 0.00 C ATOM 588 CD ARG A 36 84.845 0.286 -1.071 1.00 0.00 C ATOM 589 NE ARG A 36 83.585 0.995 -0.710 1.00 0.00 N ATOM 590 CZ ARG A 36 83.160 1.987 -1.444 1.00 0.00 C ATOM 591 NH1 ARG A 36 83.840 2.358 -2.494 1.00 0.00 N ATOM 592 NH2 ARG A 36 82.057 2.607 -1.128 1.00 0.00 N ATOM 0 H ARG A 36 87.307 0.758 3.411 1.00 0.00 H new ATOM 0 HA ARG A 36 85.134 -0.034 1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 36 84.981 2.184 0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.717 2.422 0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.091 2.009 -1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 36 86.967 0.602 -0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 36 84.845 0.043 -2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 36 84.912 -0.657 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 36 83.054 0.705 0.111 1.00 0.00 H new ATOM 0 HH11 ARG A 36 84.703 1.873 -2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 36 83.509 3.133 -3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 36 81.526 2.317 -0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 36 81.725 3.382 -1.702 1.00 0.00 H new ATOM 606 N CYS A 37 86.888 -1.432 0.459 1.00 0.00 N ATOM 607 CA CYS A 37 87.950 -2.358 -0.010 1.00 0.00 C ATOM 608 C CYS A 37 88.529 -1.844 -1.333 1.00 0.00 C ATOM 609 O CYS A 37 88.053 -2.164 -2.403 1.00 0.00 O ATOM 610 CB CYS A 37 87.341 -3.746 -0.185 1.00 0.00 C ATOM 611 SG CYS A 37 86.954 -4.400 1.454 1.00 0.00 S ATOM 0 H CYS A 37 85.946 -1.652 0.137 1.00 0.00 H new ATOM 0 HA CYS A 37 88.760 -2.412 0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.440 -3.692 -0.796 1.00 0.00 H new ATOM 0 HB3 CYS A 37 88.038 -4.405 -0.703 1.00 0.00 H new ATOM 616 N LYS A 38 89.545 -1.025 -1.234 1.00 0.00 N ATOM 617 CA LYS A 38 90.212 -0.423 -2.436 1.00 0.00 C ATOM 618 C LYS A 38 90.067 -1.302 -3.688 1.00 0.00 C ATOM 619 O LYS A 38 90.124 -0.802 -4.792 1.00 0.00 O ATOM 620 CB LYS A 38 91.702 -0.233 -2.134 1.00 0.00 C ATOM 621 CG LYS A 38 91.892 0.950 -1.177 1.00 0.00 C ATOM 622 CD LYS A 38 91.636 2.274 -1.914 1.00 0.00 C ATOM 623 CE LYS A 38 92.435 3.397 -1.247 1.00 0.00 C ATOM 624 NZ LYS A 38 93.893 3.138 -1.418 1.00 0.00 N ATOM 0 H LYS A 38 89.954 -0.739 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 38 89.725 0.530 -2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.111 -1.141 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.250 -0.056 -3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.209 0.857 -0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 38 92.904 0.941 -0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 38 91.925 2.181 -2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 38 90.572 2.511 -1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 38 92.171 4.358 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 38 92.187 3.455 -0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 94.399 4.043 -1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 94.252 2.616 -0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 94.047 2.574 -2.278 1.00 0.00 H new ATOM 638 N ASP A 39 89.896 -2.594 -3.539 1.00 0.00 N ATOM 639 CA ASP A 39 89.759 -3.481 -4.737 1.00 0.00 C ATOM 640 C ASP A 39 91.144 -3.930 -5.212 1.00 0.00 C ATOM 641 O ASP A 39 91.294 -4.985 -5.792 1.00 0.00 O ATOM 642 CB ASP A 39 89.040 -2.748 -5.879 1.00 0.00 C ATOM 643 CG ASP A 39 88.302 -3.762 -6.757 1.00 0.00 C ATOM 644 OD1 ASP A 39 88.969 -4.571 -7.381 1.00 0.00 O ATOM 645 OD2 ASP A 39 87.084 -3.713 -6.790 1.00 0.00 O ATOM 0 H ASP A 39 89.845 -3.072 -2.639 1.00 0.00 H new ATOM 0 HA ASP A 39 89.168 -4.351 -4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 39 88.335 -2.023 -5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 39 89.761 -2.190 -6.477 1.00 0.00 H new ATOM 650 N LEU A 40 92.159 -3.144 -4.974 1.00 0.00 N ATOM 651 CA LEU A 40 93.527 -3.543 -5.421 1.00 0.00 C ATOM 652 C LEU A 40 94.566 -2.974 -4.447 1.00 0.00 C ATOM 653 O LEU A 40 94.448 -1.859 -3.977 1.00 0.00 O ATOM 654 CB LEU A 40 93.780 -2.993 -6.840 1.00 0.00 C ATOM 655 CG LEU A 40 94.178 -4.115 -7.815 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.484 -4.788 -7.367 1.00 0.00 C ATOM 657 CD2 LEU A 40 93.054 -5.154 -7.896 1.00 0.00 C ATOM 0 H LEU A 40 92.102 -2.247 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 40 93.608 -4.630 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 40 92.882 -2.494 -7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.569 -2.242 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 40 94.338 -3.678 -8.801 1.00 0.00 H new ATOM 0 HD11 LEU A 40 95.746 -5.578 -8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 40 96.283 -4.048 -7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.350 -5.217 -6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 40 93.340 -5.946 -8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 40 92.880 -5.580 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 40 92.141 -4.675 -8.250 1.00 0.00 H new ATOM 669 N ASN A 41 95.583 -3.735 -4.141 1.00 0.00 N ATOM 670 CA ASN A 41 96.630 -3.248 -3.199 1.00 0.00 C ATOM 671 C ASN A 41 97.948 -3.969 -3.488 1.00 0.00 C ATOM 672 O ASN A 41 97.994 -5.176 -3.601 1.00 0.00 O ATOM 673 CB ASN A 41 96.190 -3.533 -1.765 1.00 0.00 C ATOM 674 CG ASN A 41 94.894 -2.774 -1.479 1.00 0.00 C ATOM 675 OD1 ASN A 41 93.816 -3.323 -1.597 1.00 0.00 O ATOM 676 ND2 ASN A 41 94.952 -1.523 -1.113 1.00 0.00 N ATOM 0 H ASN A 41 95.733 -4.676 -4.505 1.00 0.00 H new ATOM 0 HA ASN A 41 96.771 -2.175 -3.328 1.00 0.00 H new ATOM 0 HB2 ASN A 41 96.038 -4.603 -1.624 1.00 0.00 H new ATOM 0 HB3 ASN A 41 96.967 -3.227 -1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 41 94.093 -1.006 -0.926 1.00 0.00 H new ATOM 0 HD22 ASN A 41 95.856 -1.062 -1.014 1.00 0.00 H new ATOM 683 N THR A 42 99.018 -3.232 -3.617 1.00 0.00 N ATOM 684 CA THR A 42 100.339 -3.864 -3.907 1.00 0.00 C ATOM 685 C THR A 42 101.228 -3.787 -2.663 1.00 0.00 C ATOM 686 O THR A 42 101.085 -2.911 -1.835 1.00 0.00 O ATOM 687 CB THR A 42 101.015 -3.119 -5.068 1.00 0.00 C ATOM 688 OG1 THR A 42 100.504 -1.795 -5.134 1.00 0.00 O ATOM 689 CG2 THR A 42 100.735 -3.835 -6.394 1.00 0.00 C ATOM 0 H THR A 42 99.035 -2.216 -3.534 1.00 0.00 H new ATOM 0 HA THR A 42 100.191 -4.909 -4.181 1.00 0.00 H new ATOM 0 HB THR A 42 102.091 -3.097 -4.897 1.00 0.00 H new ATOM 0 HG1 THR A 42 100.934 -1.315 -5.872 1.00 0.00 H new ATOM 0 HG21 THR A 42 101.220 -3.296 -7.208 1.00 0.00 H new ATOM 0 HG22 THR A 42 101.126 -4.852 -6.348 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.660 -3.867 -6.570 1.00 0.00 H new ATOM 697 N PHE A 43 102.143 -4.705 -2.531 1.00 0.00 N ATOM 698 CA PHE A 43 103.057 -4.704 -1.354 1.00 0.00 C ATOM 699 C PHE A 43 104.475 -5.011 -1.848 1.00 0.00 C ATOM 700 O PHE A 43 104.653 -5.559 -2.914 1.00 0.00 O ATOM 701 CB PHE A 43 102.602 -5.773 -0.351 1.00 0.00 C ATOM 702 CG PHE A 43 101.228 -5.424 0.186 1.00 0.00 C ATOM 703 CD1 PHE A 43 100.106 -5.516 -0.645 1.00 0.00 C ATOM 704 CD2 PHE A 43 101.075 -5.009 1.517 1.00 0.00 C ATOM 705 CE1 PHE A 43 98.838 -5.193 -0.151 1.00 0.00 C ATOM 706 CE2 PHE A 43 99.805 -4.686 2.011 1.00 0.00 C ATOM 707 CZ PHE A 43 98.687 -4.778 1.176 1.00 0.00 C ATOM 0 H PHE A 43 102.299 -5.464 -3.194 1.00 0.00 H new ATOM 0 HA PHE A 43 103.040 -3.734 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.576 -6.750 -0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.316 -5.842 0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 43 100.219 -5.837 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 43 101.938 -4.938 2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 43 97.974 -5.264 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 43 99.689 -4.366 3.036 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.707 -4.529 1.556 1.00 0.00 H new ATOM 717 N LEU A 44 105.483 -4.664 -1.091 1.00 0.00 N ATOM 718 CA LEU A 44 106.890 -4.940 -1.526 1.00 0.00 C ATOM 719 C LEU A 44 107.546 -5.856 -0.486 1.00 0.00 C ATOM 720 O LEU A 44 107.167 -5.844 0.668 1.00 0.00 O ATOM 721 CB LEU A 44 107.661 -3.614 -1.657 1.00 0.00 C ATOM 722 CG LEU A 44 106.916 -2.677 -2.621 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.703 -1.373 -2.808 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.764 -3.365 -3.975 1.00 0.00 C ATOM 0 H LEU A 44 105.395 -4.200 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 44 106.901 -5.433 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.761 -3.142 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.670 -3.803 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 44 105.935 -2.447 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 44 107.165 -0.718 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.817 -0.876 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.687 -1.598 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 44 106.236 -2.704 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.750 -3.595 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 44 106.197 -4.288 -3.853 1.00 0.00 H new ATOM 736 N HIS A 45 108.512 -6.666 -0.870 1.00 0.00 N ATOM 737 CA HIS A 45 109.143 -7.587 0.140 1.00 0.00 C ATOM 738 C HIS A 45 110.563 -7.149 0.451 1.00 0.00 C ATOM 739 O HIS A 45 111.522 -7.820 0.126 1.00 0.00 O ATOM 740 CB HIS A 45 109.168 -9.027 -0.383 1.00 0.00 C ATOM 741 CG HIS A 45 109.263 -9.982 0.777 1.00 0.00 C ATOM 742 ND1 HIS A 45 108.305 -10.543 1.586 1.00 0.00 N flip ATOM 743 CD2 HIS A 45 110.478 -10.475 1.231 1.00 0.00 C flip ATOM 744 CE1 HIS A 45 108.915 -11.369 2.523 1.00 0.00 C flip ATOM 745 NE2 HIS A 45 110.222 -11.295 2.268 1.00 0.00 N flip ATOM 0 H HIS A 45 108.884 -6.730 -1.817 1.00 0.00 H new ATOM 0 HA HIS A 45 108.543 -7.542 1.049 1.00 0.00 H new ATOM 0 HB2 HIS A 45 108.267 -9.230 -0.962 1.00 0.00 H new ATOM 0 HB3 HIS A 45 110.016 -9.167 -1.053 1.00 0.00 H new ATOM 0 HD2 HIS A 45 111.452 -10.243 0.826 1.00 0.00 H new ATOM 0 HE1 HIS A 45 108.432 -11.949 3.295 1.00 0.00 H new ATOM 0 HE2 HIS A 45 110.938 -11.797 2.793 1.00 0.00 H new ATOM 754 N GLU A 46 110.703 -6.038 1.098 1.00 0.00 N ATOM 755 CA GLU A 46 112.055 -5.559 1.458 1.00 0.00 C ATOM 756 C GLU A 46 111.936 -4.761 2.765 1.00 0.00 C ATOM 757 O GLU A 46 111.095 -3.897 2.880 1.00 0.00 O ATOM 758 CB GLU A 46 112.581 -4.679 0.320 1.00 0.00 C ATOM 759 CG GLU A 46 114.027 -4.274 0.603 1.00 0.00 C ATOM 760 CD GLU A 46 114.967 -5.418 0.217 1.00 0.00 C ATOM 761 OE1 GLU A 46 114.776 -5.981 -0.848 1.00 0.00 O ATOM 762 OE2 GLU A 46 115.862 -5.710 0.992 1.00 0.00 O ATOM 0 H GLU A 46 109.935 -5.436 1.395 1.00 0.00 H new ATOM 0 HA GLU A 46 112.751 -6.385 1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.523 -5.219 -0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 46 111.958 -3.790 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.280 -3.376 0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.147 -4.032 1.659 1.00 0.00 H new ATOM 769 N PRO A 47 112.737 -5.055 3.762 1.00 0.00 N ATOM 770 CA PRO A 47 112.659 -4.333 5.061 1.00 0.00 C ATOM 771 C PRO A 47 112.687 -2.815 4.880 1.00 0.00 C ATOM 772 O PRO A 47 113.556 -2.274 4.227 1.00 0.00 O ATOM 773 CB PRO A 47 113.894 -4.792 5.833 1.00 0.00 C ATOM 774 CG PRO A 47 114.299 -6.094 5.217 1.00 0.00 C ATOM 775 CD PRO A 47 113.785 -6.091 3.772 1.00 0.00 C ATOM 0 HA PRO A 47 111.724 -4.553 5.577 1.00 0.00 H new ATOM 0 HB2 PRO A 47 114.696 -4.058 5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 47 113.670 -4.914 6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 47 115.383 -6.210 5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 47 113.877 -6.931 5.774 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.582 -5.857 3.066 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.385 -7.065 3.490 1.00 0.00 H new ATOM 783 N PHE A 48 111.742 -2.131 5.459 1.00 0.00 N ATOM 784 CA PHE A 48 111.695 -0.646 5.340 1.00 0.00 C ATOM 785 C PHE A 48 113.096 -0.070 5.489 1.00 0.00 C ATOM 786 O PHE A 48 113.354 1.033 5.085 1.00 0.00 O ATOM 787 CB PHE A 48 110.771 -0.092 6.416 1.00 0.00 C ATOM 788 CG PHE A 48 109.682 -1.114 6.654 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.053 -1.719 5.556 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.315 -1.477 7.955 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.060 -2.678 5.757 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.320 -2.443 8.156 1.00 0.00 C ATOM 793 CZ PHE A 48 107.693 -3.043 7.056 1.00 0.00 C ATOM 0 H PHE A 48 110.992 -2.541 6.016 1.00 0.00 H new ATOM 0 HA PHE A 48 111.312 -0.364 4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.325 0.099 7.335 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.342 0.859 6.100 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.338 -1.442 4.552 1.00 0.00 H new ATOM 0 HD2 PHE A 48 109.798 -1.013 8.803 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.575 -3.139 4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 48 108.036 -2.725 9.159 1.00 0.00 H new ATOM 0 HZ PHE A 48 106.926 -3.787 7.211 1.00 0.00 H new ATOM 803 N SER A 49 114.004 -0.811 6.053 1.00 0.00 N ATOM 804 CA SER A 49 115.391 -0.299 6.198 1.00 0.00 C ATOM 805 C SER A 49 116.080 -0.376 4.833 1.00 0.00 C ATOM 806 O SER A 49 116.838 0.499 4.452 1.00 0.00 O ATOM 807 CB SER A 49 116.154 -1.157 7.208 1.00 0.00 C ATOM 808 OG SER A 49 115.523 -1.060 8.478 1.00 0.00 O ATOM 0 H SER A 49 113.846 -1.749 6.420 1.00 0.00 H new ATOM 0 HA SER A 49 115.374 0.732 6.552 1.00 0.00 H new ATOM 0 HB2 SER A 49 116.175 -2.196 6.878 1.00 0.00 H new ATOM 0 HB3 SER A 49 117.189 -0.824 7.277 1.00 0.00 H new ATOM 0 HG SER A 49 116.009 -1.610 9.127 1.00 0.00 H new ATOM 814 N SER A 50 115.800 -1.407 4.077 1.00 0.00 N ATOM 815 CA SER A 50 116.421 -1.526 2.731 1.00 0.00 C ATOM 816 C SER A 50 115.563 -0.734 1.749 1.00 0.00 C ATOM 817 O SER A 50 116.067 -0.010 0.919 1.00 0.00 O ATOM 818 CB SER A 50 116.498 -2.999 2.322 1.00 0.00 C ATOM 819 OG SER A 50 117.832 -3.460 2.494 1.00 0.00 O ATOM 0 H SER A 50 115.170 -2.167 4.335 1.00 0.00 H new ATOM 0 HA SER A 50 117.436 -1.129 2.737 1.00 0.00 H new ATOM 0 HB2 SER A 50 115.814 -3.594 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 50 116.190 -3.117 1.283 1.00 0.00 H new ATOM 0 HG SER A 50 117.857 -4.434 2.390 1.00 0.00 H new ATOM 825 N VAL A 51 114.264 -0.830 1.866 1.00 0.00 N ATOM 826 CA VAL A 51 113.384 -0.035 0.966 1.00 0.00 C ATOM 827 C VAL A 51 113.652 1.427 1.297 1.00 0.00 C ATOM 828 O VAL A 51 113.607 2.299 0.452 1.00 0.00 O ATOM 829 CB VAL A 51 111.907 -0.361 1.242 1.00 0.00 C ATOM 830 CG1 VAL A 51 111.114 -0.338 -0.069 1.00 0.00 C ATOM 831 CG2 VAL A 51 111.797 -1.751 1.872 1.00 0.00 C ATOM 0 H VAL A 51 113.779 -1.421 2.542 1.00 0.00 H new ATOM 0 HA VAL A 51 113.586 -0.259 -0.081 1.00 0.00 H new ATOM 0 HB VAL A 51 111.500 0.385 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.068 -0.570 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 51 111.185 0.652 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.523 -1.080 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.749 -1.980 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.210 -2.494 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.353 -1.771 2.809 1.00 0.00 H new ATOM 841 N ALA A 52 113.956 1.681 2.543 1.00 0.00 N ATOM 842 CA ALA A 52 114.263 3.064 2.981 1.00 0.00 C ATOM 843 C ALA A 52 115.419 3.575 2.128 1.00 0.00 C ATOM 844 O ALA A 52 115.326 4.595 1.474 1.00 0.00 O ATOM 845 CB ALA A 52 114.682 3.053 4.456 1.00 0.00 C ATOM 0 H ALA A 52 114.004 0.977 3.280 1.00 0.00 H new ATOM 0 HA ALA A 52 113.389 3.705 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 52 114.908 4.070 4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 52 113.869 2.653 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.567 2.429 4.578 1.00 0.00 H new ATOM 851 N ALA A 53 116.510 2.853 2.118 1.00 0.00 N ATOM 852 CA ALA A 53 117.673 3.275 1.291 1.00 0.00 C ATOM 853 C ALA A 53 117.277 3.197 -0.182 1.00 0.00 C ATOM 854 O ALA A 53 117.730 3.974 -0.999 1.00 0.00 O ATOM 855 CB ALA A 53 118.858 2.344 1.555 1.00 0.00 C ATOM 0 H ALA A 53 116.643 1.991 2.647 1.00 0.00 H new ATOM 0 HA ALA A 53 117.961 4.295 1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.708 2.656 0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.129 2.390 2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.582 1.322 1.296 1.00 0.00 H new ATOM 861 N THR A 54 116.421 2.273 -0.526 1.00 0.00 N ATOM 862 CA THR A 54 115.983 2.160 -1.941 1.00 0.00 C ATOM 863 C THR A 54 115.328 3.477 -2.336 1.00 0.00 C ATOM 864 O THR A 54 115.451 3.937 -3.454 1.00 0.00 O ATOM 865 CB THR A 54 114.968 1.015 -2.090 1.00 0.00 C ATOM 866 OG1 THR A 54 115.480 -0.151 -1.461 1.00 0.00 O ATOM 867 CG2 THR A 54 114.722 0.726 -3.573 1.00 0.00 C ATOM 0 H THR A 54 116.008 1.594 0.113 1.00 0.00 H new ATOM 0 HA THR A 54 116.839 1.949 -2.582 1.00 0.00 H new ATOM 0 HB THR A 54 114.028 1.305 -1.621 1.00 0.00 H new ATOM 0 HG1 THR A 54 115.493 -0.020 -0.490 1.00 0.00 H new ATOM 0 HG21 THR A 54 114.002 -0.086 -3.671 1.00 0.00 H new ATOM 0 HG22 THR A 54 114.329 1.620 -4.058 1.00 0.00 H new ATOM 0 HG23 THR A 54 115.660 0.439 -4.048 1.00 0.00 H new ATOM 875 N CYS A 55 114.638 4.101 -1.419 1.00 0.00 N ATOM 876 CA CYS A 55 113.988 5.387 -1.754 1.00 0.00 C ATOM 877 C CYS A 55 115.036 6.499 -1.748 1.00 0.00 C ATOM 878 O CYS A 55 114.728 7.658 -1.553 1.00 0.00 O ATOM 879 CB CYS A 55 112.878 5.693 -0.748 1.00 0.00 C ATOM 880 SG CYS A 55 111.597 6.682 -1.560 1.00 0.00 S ATOM 0 H CYS A 55 114.501 3.774 -0.463 1.00 0.00 H new ATOM 0 HA CYS A 55 113.542 5.322 -2.746 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.451 4.766 -0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.284 6.233 0.107 1.00 0.00 H new ATOM 885 N GLN A 56 116.279 6.147 -1.961 1.00 0.00 N ATOM 886 CA GLN A 56 117.365 7.169 -1.972 1.00 0.00 C ATOM 887 C GLN A 56 118.022 7.218 -3.356 1.00 0.00 C ATOM 888 O GLN A 56 118.780 8.119 -3.655 1.00 0.00 O ATOM 889 CB GLN A 56 118.418 6.798 -0.925 1.00 0.00 C ATOM 890 CG GLN A 56 119.337 7.996 -0.676 1.00 0.00 C ATOM 891 CD GLN A 56 120.316 7.663 0.451 1.00 0.00 C ATOM 892 OE1 GLN A 56 121.028 6.681 0.382 1.00 0.00 O ATOM 893 NE2 GLN A 56 120.383 8.446 1.493 1.00 0.00 N ATOM 0 H GLN A 56 116.588 5.189 -2.129 1.00 0.00 H new ATOM 0 HA GLN A 56 116.941 8.146 -1.741 1.00 0.00 H new ATOM 0 HB2 GLN A 56 117.932 6.500 0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 56 119.002 5.944 -1.268 1.00 0.00 H new ATOM 0 HG2 GLN A 56 119.884 8.243 -1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 56 118.746 8.873 -0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 56 119.785 9.270 1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 56 121.033 8.234 2.250 1.00 0.00 H new ATOM 902 N THR A 57 117.744 6.263 -4.207 1.00 0.00 N ATOM 903 CA THR A 57 118.372 6.285 -5.566 1.00 0.00 C ATOM 904 C THR A 57 117.768 7.433 -6.382 1.00 0.00 C ATOM 905 O THR A 57 116.699 7.920 -6.079 1.00 0.00 O ATOM 906 CB THR A 57 118.120 4.951 -6.288 1.00 0.00 C ATOM 907 OG1 THR A 57 117.697 5.204 -7.621 1.00 0.00 O ATOM 908 CG2 THR A 57 117.036 4.162 -5.556 1.00 0.00 C ATOM 0 H THR A 57 117.118 5.478 -4.025 1.00 0.00 H new ATOM 0 HA THR A 57 119.447 6.431 -5.462 1.00 0.00 H new ATOM 0 HB THR A 57 119.043 4.372 -6.300 1.00 0.00 H new ATOM 0 HG1 THR A 57 117.538 4.353 -8.081 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.862 3.218 -6.072 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.358 3.963 -4.534 1.00 0.00 H new ATOM 0 HG23 THR A 57 116.113 4.742 -5.539 1.00 0.00 H new ATOM 916 N PRO A 58 118.448 7.860 -7.415 1.00 0.00 N ATOM 917 CA PRO A 58 117.970 8.963 -8.289 1.00 0.00 C ATOM 918 C PRO A 58 116.448 8.937 -8.459 1.00 0.00 C ATOM 919 O PRO A 58 115.889 7.990 -8.976 1.00 0.00 O ATOM 920 CB PRO A 58 118.678 8.679 -9.612 1.00 0.00 C ATOM 921 CG PRO A 58 119.971 8.023 -9.229 1.00 0.00 C ATOM 922 CD PRO A 58 119.747 7.339 -7.869 1.00 0.00 C ATOM 0 HA PRO A 58 118.188 9.951 -7.882 1.00 0.00 H new ATOM 0 HB2 PRO A 58 118.079 8.028 -10.248 1.00 0.00 H new ATOM 0 HB3 PRO A 58 118.853 9.598 -10.171 1.00 0.00 H new ATOM 0 HG2 PRO A 58 120.271 7.294 -9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 58 120.772 8.760 -9.162 1.00 0.00 H new ATOM 0 HD2 PRO A 58 119.729 6.254 -7.967 1.00 0.00 H new ATOM 0 HD3 PRO A 58 120.542 7.582 -7.165 1.00 0.00 H new ATOM 930 N LYS A 59 115.772 9.961 -8.013 1.00 0.00 N ATOM 931 CA LYS A 59 114.287 9.979 -8.134 1.00 0.00 C ATOM 932 C LYS A 59 113.872 10.432 -9.534 1.00 0.00 C ATOM 933 O LYS A 59 114.637 10.367 -10.477 1.00 0.00 O ATOM 934 CB LYS A 59 113.695 10.936 -7.093 1.00 0.00 C ATOM 935 CG LYS A 59 114.421 12.285 -7.146 1.00 0.00 C ATOM 936 CD LYS A 59 115.453 12.358 -6.018 1.00 0.00 C ATOM 937 CE LYS A 59 116.469 13.461 -6.321 1.00 0.00 C ATOM 938 NZ LYS A 59 117.180 13.147 -7.592 1.00 0.00 N ATOM 0 H LYS A 59 116.183 10.784 -7.571 1.00 0.00 H new ATOM 0 HA LYS A 59 113.911 8.971 -7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.631 11.079 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 59 113.786 10.504 -6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 59 114.913 12.407 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 59 113.703 13.100 -7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 59 114.956 12.559 -5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 59 115.962 11.400 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 59 115.963 14.423 -6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 59 117.185 13.546 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 118.039 13.730 -7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 117.442 12.141 -7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 116.556 13.351 -8.398 1.00 0.00 H new ATOM 952 N ILE A 60 112.654 10.877 -9.672 1.00 0.00 N ATOM 953 CA ILE A 60 112.153 11.325 -11.001 1.00 0.00 C ATOM 954 C ILE A 60 111.002 12.311 -10.788 1.00 0.00 C ATOM 955 O ILE A 60 110.267 12.213 -9.828 1.00 0.00 O ATOM 956 CB ILE A 60 111.643 10.104 -11.790 1.00 0.00 C ATOM 957 CG1 ILE A 60 111.404 8.925 -10.825 1.00 0.00 C ATOM 958 CG2 ILE A 60 112.679 9.698 -12.845 1.00 0.00 C ATOM 959 CD1 ILE A 60 110.220 8.081 -11.305 1.00 0.00 C ATOM 0 H ILE A 60 111.977 10.950 -8.912 1.00 0.00 H new ATOM 0 HA ILE A 60 112.955 11.808 -11.559 1.00 0.00 H new ATOM 0 HB ILE A 60 110.707 10.364 -12.284 1.00 0.00 H new ATOM 0 HG12 ILE A 60 112.300 8.307 -10.765 1.00 0.00 H new ATOM 0 HG13 ILE A 60 111.209 9.301 -9.821 1.00 0.00 H new ATOM 0 HG21 ILE A 60 112.314 8.834 -13.400 1.00 0.00 H new ATOM 0 HG22 ILE A 60 112.843 10.528 -13.532 1.00 0.00 H new ATOM 0 HG23 ILE A 60 113.618 9.443 -12.354 1.00 0.00 H new ATOM 0 HD11 ILE A 60 110.061 7.252 -10.616 1.00 0.00 H new ATOM 0 HD12 ILE A 60 109.323 8.700 -11.341 1.00 0.00 H new ATOM 0 HD13 ILE A 60 110.432 7.690 -12.300 1.00 0.00 H new ATOM 971 N ALA A 61 110.837 13.258 -11.674 1.00 0.00 N ATOM 972 CA ALA A 61 109.728 14.242 -11.510 1.00 0.00 C ATOM 973 C ALA A 61 108.423 13.501 -11.222 1.00 0.00 C ATOM 974 O ALA A 61 107.642 13.230 -12.112 1.00 0.00 O ATOM 975 CB ALA A 61 109.568 15.064 -12.790 1.00 0.00 C ATOM 0 H ALA A 61 111.420 13.392 -12.500 1.00 0.00 H new ATOM 0 HA ALA A 61 109.964 14.907 -10.679 1.00 0.00 H new ATOM 0 HB1 ALA A 61 108.756 15.781 -12.663 1.00 0.00 H new ATOM 0 HB2 ALA A 61 110.495 15.599 -12.997 1.00 0.00 H new ATOM 0 HB3 ALA A 61 109.338 14.399 -13.623 1.00 0.00 H new ATOM 981 N CYS A 62 108.183 13.174 -9.984 1.00 0.00 N ATOM 982 CA CYS A 62 106.931 12.454 -9.626 1.00 0.00 C ATOM 983 C CYS A 62 105.747 13.104 -10.339 1.00 0.00 C ATOM 984 O CYS A 62 105.388 12.733 -11.439 1.00 0.00 O ATOM 985 CB CYS A 62 106.722 12.542 -8.117 1.00 0.00 C ATOM 986 SG CYS A 62 107.996 11.581 -7.276 1.00 0.00 S ATOM 0 H CYS A 62 108.804 13.376 -9.200 1.00 0.00 H new ATOM 0 HA CYS A 62 107.007 11.410 -9.930 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.763 13.582 -7.794 1.00 0.00 H new ATOM 0 HB3 CYS A 62 105.734 12.165 -7.853 1.00 0.00 H new ATOM 991 N LYS A 63 105.138 14.076 -9.719 1.00 0.00 N ATOM 992 CA LYS A 63 103.980 14.754 -10.359 1.00 0.00 C ATOM 993 C LYS A 63 104.419 15.348 -11.695 1.00 0.00 C ATOM 994 O LYS A 63 104.127 14.825 -12.752 1.00 0.00 O ATOM 995 CB LYS A 63 103.478 15.875 -9.446 1.00 0.00 C ATOM 996 CG LYS A 63 102.804 15.273 -8.210 1.00 0.00 C ATOM 997 CD LYS A 63 101.961 16.344 -7.511 1.00 0.00 C ATOM 998 CE LYS A 63 102.824 17.576 -7.221 1.00 0.00 C ATOM 999 NZ LYS A 63 102.845 18.462 -8.419 1.00 0.00 N ATOM 0 H LYS A 63 105.393 14.429 -8.797 1.00 0.00 H new ATOM 0 HA LYS A 63 103.180 14.033 -10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 63 104.310 16.511 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 63 102.772 16.507 -9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 63 102.174 14.432 -8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 63 103.558 14.885 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 63 101.115 16.621 -8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 63 101.552 15.948 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 63 102.427 18.117 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 63 103.838 17.270 -6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 103.790 18.439 -8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 102.140 18.130 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 102.619 19.436 -8.134 1.00 0.00 H new ATOM 1013 N ASN A 64 105.125 16.437 -11.646 1.00 0.00 N ATOM 1014 CA ASN A 64 105.605 17.088 -12.894 1.00 0.00 C ATOM 1015 C ASN A 64 106.892 17.834 -12.568 1.00 0.00 C ATOM 1016 O ASN A 64 107.243 18.812 -13.199 1.00 0.00 O ATOM 1017 CB ASN A 64 104.554 18.078 -13.391 1.00 0.00 C ATOM 1018 CG ASN A 64 103.426 17.320 -14.093 1.00 0.00 C ATOM 1019 OD1 ASN A 64 102.463 16.924 -13.467 1.00 0.00 O ATOM 1020 ND2 ASN A 64 103.504 17.101 -15.377 1.00 0.00 N ATOM 0 H ASN A 64 105.394 16.911 -10.784 1.00 0.00 H new ATOM 0 HA ASN A 64 105.782 16.342 -13.669 1.00 0.00 H new ATOM 0 HB2 ASN A 64 104.155 18.651 -12.554 1.00 0.00 H new ATOM 0 HB3 ASN A 64 105.008 18.792 -14.078 1.00 0.00 H new ATOM 0 HD21 ASN A 64 102.757 16.598 -15.855 1.00 0.00 H new ATOM 0 HD22 ASN A 64 104.312 17.433 -15.903 1.00 0.00 H new ATOM 1027 N GLY A 65 107.589 17.375 -11.571 1.00 0.00 N ATOM 1028 CA GLY A 65 108.855 18.040 -11.164 1.00 0.00 C ATOM 1029 C GLY A 65 109.030 17.900 -9.651 1.00 0.00 C ATOM 1030 O GLY A 65 109.891 18.518 -9.059 1.00 0.00 O ATOM 0 H GLY A 65 107.334 16.559 -11.014 1.00 0.00 H new ATOM 0 HA2 GLY A 65 109.700 17.589 -11.684 1.00 0.00 H new ATOM 0 HA3 GLY A 65 108.833 19.093 -11.444 1.00 0.00 H new ATOM 1034 N ASP A 66 108.219 17.092 -9.016 1.00 0.00 N ATOM 1035 CA ASP A 66 108.352 16.922 -7.540 1.00 0.00 C ATOM 1036 C ASP A 66 109.665 16.198 -7.233 1.00 0.00 C ATOM 1037 O ASP A 66 110.366 16.530 -6.298 1.00 0.00 O ATOM 1038 CB ASP A 66 107.175 16.092 -7.010 1.00 0.00 C ATOM 1039 CG ASP A 66 106.279 16.963 -6.124 1.00 0.00 C ATOM 1040 OD1 ASP A 66 106.016 18.091 -6.508 1.00 0.00 O ATOM 1041 OD2 ASP A 66 105.871 16.487 -5.078 1.00 0.00 O ATOM 0 H ASP A 66 107.476 16.547 -9.453 1.00 0.00 H new ATOM 0 HA ASP A 66 108.350 17.900 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 66 106.598 15.691 -7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 66 107.547 15.240 -6.440 1.00 0.00 H new ATOM 1046 N LYS A 67 110.001 15.210 -8.014 1.00 0.00 N ATOM 1047 CA LYS A 67 111.264 14.462 -7.768 1.00 0.00 C ATOM 1048 C LYS A 67 111.196 13.796 -6.389 1.00 0.00 C ATOM 1049 O LYS A 67 112.123 13.877 -5.608 1.00 0.00 O ATOM 1050 CB LYS A 67 112.459 15.430 -7.821 1.00 0.00 C ATOM 1051 CG LYS A 67 112.148 16.601 -8.764 1.00 0.00 C ATOM 1052 CD LYS A 67 113.444 17.100 -9.410 1.00 0.00 C ATOM 1053 CE LYS A 67 114.416 17.555 -8.320 1.00 0.00 C ATOM 1054 NZ LYS A 67 115.515 18.352 -8.936 1.00 0.00 N ATOM 0 H LYS A 67 109.455 14.888 -8.813 1.00 0.00 H new ATOM 0 HA LYS A 67 111.392 13.698 -8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 67 112.677 15.806 -6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 67 113.349 14.903 -8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 67 111.445 16.284 -9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 67 111.671 17.410 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 67 113.895 16.306 -10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 67 113.230 17.926 -10.089 1.00 0.00 H new ATOM 0 HE2 LYS A 67 113.891 18.154 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 67 114.827 16.690 -7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 116.176 18.662 -8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 116.022 17.766 -9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 115.115 19.185 -9.413 1.00 0.00 H new ATOM 1068 N ASN A 68 110.097 13.152 -6.073 1.00 0.00 N ATOM 1069 CA ASN A 68 109.975 12.497 -4.730 1.00 0.00 C ATOM 1070 C ASN A 68 109.779 10.979 -4.872 1.00 0.00 C ATOM 1071 O ASN A 68 109.509 10.297 -3.894 1.00 0.00 O ATOM 1072 CB ASN A 68 108.773 13.090 -3.993 1.00 0.00 C ATOM 1073 CG ASN A 68 108.968 14.598 -3.827 1.00 0.00 C ATOM 1074 OD1 ASN A 68 107.956 15.400 -4.019 1.00 0.00 O flip ATOM 1075 ND2 ASN A 68 110.052 15.052 -3.520 1.00 0.00 N flip ATOM 0 H ASN A 68 109.285 13.052 -6.682 1.00 0.00 H new ATOM 0 HA ASN A 68 110.893 12.677 -4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 68 107.857 12.890 -4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 68 108.662 12.617 -3.017 1.00 0.00 H new ATOM 0 HD21 ASN A 68 110.843 14.426 -3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 68 110.171 16.059 -3.412 1.00 0.00 H new ATOM 1082 N CYS A 69 109.915 10.440 -6.066 1.00 0.00 N ATOM 1083 CA CYS A 69 109.735 8.975 -6.256 1.00 0.00 C ATOM 1084 C CYS A 69 111.109 8.322 -6.357 1.00 0.00 C ATOM 1085 O CYS A 69 112.102 8.984 -6.556 1.00 0.00 O ATOM 1086 CB CYS A 69 108.941 8.719 -7.538 1.00 0.00 C ATOM 1087 SG CYS A 69 107.400 9.666 -7.491 1.00 0.00 S ATOM 0 H CYS A 69 110.143 10.960 -6.913 1.00 0.00 H new ATOM 0 HA CYS A 69 109.189 8.553 -5.413 1.00 0.00 H new ATOM 0 HB2 CYS A 69 109.531 9.007 -8.408 1.00 0.00 H new ATOM 0 HB3 CYS A 69 108.724 7.656 -7.638 1.00 0.00 H new ATOM 1092 N HIS A 70 111.182 7.033 -6.215 1.00 0.00 N ATOM 1093 CA HIS A 70 112.506 6.356 -6.293 1.00 0.00 C ATOM 1094 C HIS A 70 112.306 4.949 -6.824 1.00 0.00 C ATOM 1095 O HIS A 70 111.620 4.147 -6.228 1.00 0.00 O ATOM 1096 CB HIS A 70 113.111 6.257 -4.897 1.00 0.00 C ATOM 1097 CG HIS A 70 113.795 7.541 -4.523 1.00 0.00 C ATOM 1098 ND1 HIS A 70 115.168 7.625 -4.346 1.00 0.00 N ATOM 1099 CD2 HIS A 70 113.307 8.793 -4.269 1.00 0.00 C ATOM 1100 CE1 HIS A 70 115.455 8.894 -3.999 1.00 0.00 C ATOM 1101 NE2 HIS A 70 114.355 9.644 -3.938 1.00 0.00 N ATOM 0 H HIS A 70 110.386 6.417 -6.049 1.00 0.00 H new ATOM 0 HA HIS A 70 113.167 6.925 -6.947 1.00 0.00 H new ATOM 0 HB2 HIS A 70 112.329 6.031 -4.172 1.00 0.00 H new ATOM 0 HB3 HIS A 70 113.826 5.435 -4.862 1.00 0.00 H new ATOM 0 HD2 HIS A 70 112.266 9.077 -4.318 1.00 0.00 H new ATOM 0 HE1 HIS A 70 116.451 9.258 -3.796 1.00 0.00 H new ATOM 0 HE2 HIS A 70 114.295 10.634 -3.699 1.00 0.00 H new ATOM 1110 N GLN A 71 112.904 4.641 -7.931 1.00 0.00 N ATOM 1111 CA GLN A 71 112.741 3.275 -8.500 1.00 0.00 C ATOM 1112 C GLN A 71 113.894 2.374 -8.059 1.00 0.00 C ATOM 1113 O GLN A 71 115.054 2.703 -8.207 1.00 0.00 O ATOM 1114 CB GLN A 71 112.664 3.371 -10.028 1.00 0.00 C ATOM 1115 CG GLN A 71 113.469 2.245 -10.690 1.00 0.00 C ATOM 1116 CD GLN A 71 113.194 2.240 -12.194 1.00 0.00 C ATOM 1117 OE1 GLN A 71 112.443 3.057 -12.689 1.00 0.00 O ATOM 1118 NE2 GLN A 71 113.775 1.347 -12.948 1.00 0.00 N ATOM 0 H GLN A 71 113.499 5.271 -8.470 1.00 0.00 H new ATOM 0 HA GLN A 71 111.817 2.831 -8.130 1.00 0.00 H new ATOM 0 HB2 GLN A 71 111.623 3.316 -10.348 1.00 0.00 H new ATOM 0 HB3 GLN A 71 113.047 4.338 -10.355 1.00 0.00 H new ATOM 0 HG2 GLN A 71 114.534 2.387 -10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 71 113.195 1.283 -10.256 1.00 0.00 H new ATOM 0 HE21 GLN A 71 114.405 0.661 -12.533 1.00 0.00 H new ATOM 0 HE22 GLN A 71 113.599 1.335 -13.953 1.00 0.00 H new ATOM 1127 N SER A 72 113.567 1.231 -7.520 1.00 0.00 N ATOM 1128 CA SER A 72 114.618 0.283 -7.063 1.00 0.00 C ATOM 1129 C SER A 72 115.672 0.129 -8.163 1.00 0.00 C ATOM 1130 O SER A 72 115.358 0.091 -9.336 1.00 0.00 O ATOM 1131 CB SER A 72 113.976 -1.076 -6.763 1.00 0.00 C ATOM 1132 OG SER A 72 112.699 -1.135 -7.384 1.00 0.00 O ATOM 0 H SER A 72 112.609 0.913 -7.376 1.00 0.00 H new ATOM 0 HA SER A 72 115.094 0.664 -6.159 1.00 0.00 H new ATOM 0 HB2 SER A 72 114.611 -1.881 -7.132 1.00 0.00 H new ATOM 0 HB3 SER A 72 113.877 -1.216 -5.687 1.00 0.00 H new ATOM 0 HG SER A 72 112.015 -0.825 -6.755 1.00 0.00 H new ATOM 1138 N HIS A 73 116.918 0.040 -7.793 1.00 0.00 N ATOM 1139 CA HIS A 73 117.991 -0.111 -8.815 1.00 0.00 C ATOM 1140 C HIS A 73 117.979 -1.539 -9.358 1.00 0.00 C ATOM 1141 O HIS A 73 118.971 -2.034 -9.856 1.00 0.00 O ATOM 1142 CB HIS A 73 119.344 0.172 -8.165 1.00 0.00 C ATOM 1143 CG HIS A 73 120.356 0.512 -9.225 1.00 0.00 C ATOM 1144 ND1 HIS A 73 120.363 0.316 -10.584 1.00 0.00 N flip ATOM 1145 CD2 HIS A 73 121.556 1.145 -8.927 1.00 0.00 C flip ATOM 1146 CE1 HIS A 73 121.544 0.817 -11.119 1.00 0.00 C flip ATOM 1147 NE2 HIS A 73 122.227 1.305 -10.083 1.00 0.00 N flip ATOM 0 H HIS A 73 117.241 0.065 -6.826 1.00 0.00 H new ATOM 0 HA HIS A 73 117.821 0.590 -9.633 1.00 0.00 H new ATOM 0 HB2 HIS A 73 119.253 0.997 -7.458 1.00 0.00 H new ATOM 0 HB3 HIS A 73 119.675 -0.698 -7.599 1.00 0.00 H new ATOM 0 HD1 HIS A 73 119.617 -0.129 -11.118 1.00 0.00 H new ATOM 0 HD2 HIS A 73 121.890 1.453 -7.947 1.00 0.00 H new ATOM 0 HE1 HIS A 73 121.845 0.812 -12.156 1.00 0.00 H new ATOM 1156 N GLY A 74 116.866 -2.207 -9.262 1.00 0.00 N ATOM 1157 CA GLY A 74 116.792 -3.606 -9.769 1.00 0.00 C ATOM 1158 C GLY A 74 115.452 -4.226 -9.371 1.00 0.00 C ATOM 1159 O GLY A 74 114.617 -3.584 -8.768 1.00 0.00 O ATOM 0 H GLY A 74 116.003 -1.846 -8.855 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.901 -3.617 -10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.613 -4.196 -9.360 1.00 0.00 H new ATOM 1163 N PRO A 75 115.251 -5.470 -9.713 1.00 0.00 N ATOM 1164 CA PRO A 75 113.991 -6.200 -9.396 1.00 0.00 C ATOM 1165 C PRO A 75 113.904 -6.603 -7.920 1.00 0.00 C ATOM 1166 O PRO A 75 114.764 -7.292 -7.406 1.00 0.00 O ATOM 1167 CB PRO A 75 114.059 -7.439 -10.292 1.00 0.00 C ATOM 1168 CG PRO A 75 115.518 -7.686 -10.507 1.00 0.00 C ATOM 1169 CD PRO A 75 116.207 -6.319 -10.443 1.00 0.00 C ATOM 0 HA PRO A 75 113.109 -5.583 -9.571 1.00 0.00 H new ATOM 0 HB2 PRO A 75 113.580 -8.295 -9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.544 -7.270 -11.238 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.914 -8.356 -9.744 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.692 -8.163 -11.471 1.00 0.00 H new ATOM 0 HD2 PRO A 75 117.164 -6.379 -9.925 1.00 0.00 H new ATOM 0 HD3 PRO A 75 116.408 -5.927 -11.440 1.00 0.00 H new ATOM 1177 N VAL A 76 112.868 -6.186 -7.237 1.00 0.00 N ATOM 1178 CA VAL A 76 112.718 -6.549 -5.798 1.00 0.00 C ATOM 1179 C VAL A 76 111.588 -7.570 -5.675 1.00 0.00 C ATOM 1180 O VAL A 76 110.569 -7.462 -6.332 1.00 0.00 O ATOM 1181 CB VAL A 76 112.373 -5.291 -4.981 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.598 -4.309 -5.856 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.527 -5.671 -3.759 1.00 0.00 C ATOM 0 H VAL A 76 112.118 -5.608 -7.617 1.00 0.00 H new ATOM 0 HA VAL A 76 113.648 -6.972 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 76 113.297 -4.824 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.354 -3.419 -5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 76 112.208 -4.027 -6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.678 -4.779 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.289 -4.774 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.604 -6.147 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 76 112.087 -6.363 -3.130 1.00 0.00 H new ATOM 1193 N SER A 77 111.752 -8.552 -4.835 1.00 0.00 N ATOM 1194 CA SER A 77 110.675 -9.562 -4.669 1.00 0.00 C ATOM 1195 C SER A 77 109.443 -8.856 -4.109 1.00 0.00 C ATOM 1196 O SER A 77 109.217 -8.835 -2.924 1.00 0.00 O ATOM 1197 CB SER A 77 111.133 -10.649 -3.695 1.00 0.00 C ATOM 1198 OG SER A 77 112.342 -11.226 -4.172 1.00 0.00 O ATOM 0 H SER A 77 112.581 -8.698 -4.259 1.00 0.00 H new ATOM 0 HA SER A 77 110.442 -10.026 -5.627 1.00 0.00 H new ATOM 0 HB2 SER A 77 111.286 -10.224 -2.703 1.00 0.00 H new ATOM 0 HB3 SER A 77 110.364 -11.415 -3.599 1.00 0.00 H new ATOM 0 HG SER A 77 112.640 -11.922 -3.550 1.00 0.00 H new ATOM 1204 N LEU A 78 108.653 -8.264 -4.952 1.00 0.00 N ATOM 1205 CA LEU A 78 107.448 -7.546 -4.462 1.00 0.00 C ATOM 1206 C LEU A 78 106.243 -8.481 -4.490 1.00 0.00 C ATOM 1207 O LEU A 78 106.344 -9.632 -4.867 1.00 0.00 O ATOM 1208 CB LEU A 78 107.180 -6.349 -5.364 1.00 0.00 C ATOM 1209 CG LEU A 78 106.857 -6.824 -6.783 1.00 0.00 C ATOM 1210 CD1 LEU A 78 105.389 -7.266 -6.886 1.00 0.00 C ATOM 1211 CD2 LEU A 78 107.104 -5.671 -7.748 1.00 0.00 C ATOM 0 H LEU A 78 108.789 -8.245 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 78 107.616 -7.209 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 78 106.349 -5.765 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 78 108.051 -5.694 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 78 107.492 -7.674 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 78 105.180 -7.600 -7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 78 105.206 -8.085 -6.190 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.738 -6.427 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.878 -5.993 -8.765 1.00 0.00 H new ATOM 0 HD22 LEU A 78 106.463 -4.831 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 78 108.148 -5.364 -7.688 1.00 0.00 H new ATOM 1223 N THR A 79 105.101 -7.994 -4.092 1.00 0.00 N ATOM 1224 CA THR A 79 103.881 -8.845 -4.092 1.00 0.00 C ATOM 1225 C THR A 79 102.674 -8.016 -4.522 1.00 0.00 C ATOM 1226 O THR A 79 102.200 -7.167 -3.796 1.00 0.00 O ATOM 1227 CB THR A 79 103.656 -9.390 -2.683 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.355 -10.617 -2.541 1.00 0.00 O ATOM 1229 CG2 THR A 79 102.169 -9.626 -2.430 1.00 0.00 C ATOM 0 H THR A 79 104.961 -7.038 -3.765 1.00 0.00 H new ATOM 0 HA THR A 79 104.010 -9.672 -4.790 1.00 0.00 H new ATOM 0 HB THR A 79 104.024 -8.661 -1.960 1.00 0.00 H new ATOM 0 HG1 THR A 79 105.301 -10.482 -2.759 1.00 0.00 H new ATOM 0 HG21 THR A 79 102.029 -10.014 -1.421 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.628 -8.685 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.787 -10.347 -3.153 1.00 0.00 H new ATOM 1237 N MET A 80 102.163 -8.264 -5.692 1.00 0.00 N ATOM 1238 CA MET A 80 100.973 -7.496 -6.150 1.00 0.00 C ATOM 1239 C MET A 80 99.699 -8.211 -5.693 1.00 0.00 C ATOM 1240 O MET A 80 99.344 -9.253 -6.210 1.00 0.00 O ATOM 1241 CB MET A 80 100.975 -7.394 -7.677 1.00 0.00 C ATOM 1242 CG MET A 80 102.402 -7.179 -8.175 1.00 0.00 C ATOM 1243 SD MET A 80 102.387 -6.946 -9.971 1.00 0.00 S ATOM 1244 CE MET A 80 102.077 -5.163 -9.973 1.00 0.00 C ATOM 0 H MET A 80 102.514 -8.961 -6.349 1.00 0.00 H new ATOM 0 HA MET A 80 101.007 -6.494 -5.722 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.560 -8.303 -8.113 1.00 0.00 H new ATOM 0 HB3 MET A 80 100.339 -6.568 -7.997 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.841 -6.308 -7.688 1.00 0.00 H new ATOM 0 HG3 MET A 80 103.023 -8.036 -7.914 1.00 0.00 H new ATOM 0 HE1 MET A 80 101.446 -4.904 -10.823 1.00 0.00 H new ATOM 0 HE2 MET A 80 101.574 -4.880 -9.048 1.00 0.00 H new ATOM 0 HE3 MET A 80 103.024 -4.629 -10.049 1.00 0.00 H new ATOM 1254 N CYS A 81 99.005 -7.664 -4.730 1.00 0.00 N ATOM 1255 CA CYS A 81 97.753 -8.317 -4.259 1.00 0.00 C ATOM 1256 C CYS A 81 96.567 -7.709 -4.999 1.00 0.00 C ATOM 1257 O CYS A 81 96.591 -6.554 -5.372 1.00 0.00 O ATOM 1258 CB CYS A 81 97.572 -8.075 -2.763 1.00 0.00 C ATOM 1259 SG CYS A 81 99.157 -8.267 -1.920 1.00 0.00 S ATOM 0 H CYS A 81 99.251 -6.797 -4.252 1.00 0.00 H new ATOM 0 HA CYS A 81 97.813 -9.388 -4.451 1.00 0.00 H new ATOM 0 HB2 CYS A 81 97.177 -7.074 -2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.845 -8.778 -2.356 1.00 0.00 H new ATOM 1264 N LYS A 82 95.524 -8.467 -5.213 1.00 0.00 N ATOM 1265 CA LYS A 82 94.347 -7.918 -5.921 1.00 0.00 C ATOM 1266 C LYS A 82 93.080 -8.357 -5.183 1.00 0.00 C ATOM 1267 O LYS A 82 93.067 -9.370 -4.513 1.00 0.00 O ATOM 1268 CB LYS A 82 94.336 -8.439 -7.364 1.00 0.00 C ATOM 1269 CG LYS A 82 93.394 -9.637 -7.470 1.00 0.00 C ATOM 1270 CD LYS A 82 93.612 -10.346 -8.807 1.00 0.00 C ATOM 1271 CE LYS A 82 92.738 -11.601 -8.868 1.00 0.00 C ATOM 1272 NZ LYS A 82 92.946 -12.288 -10.174 1.00 0.00 N ATOM 0 H LYS A 82 95.443 -9.442 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 82 94.390 -6.829 -5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 82 94.015 -7.650 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 82 95.343 -8.728 -7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.575 -10.328 -6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.359 -9.306 -7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.363 -9.677 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.662 -10.615 -8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.990 -12.273 -8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 82 91.688 -11.332 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.352 -13.141 -10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.685 -11.646 -10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.946 -12.557 -10.269 1.00 0.00 H new ATOM 1286 N LEU A 83 92.012 -7.617 -5.297 1.00 0.00 N ATOM 1287 CA LEU A 83 90.769 -8.027 -4.591 1.00 0.00 C ATOM 1288 C LEU A 83 90.152 -9.200 -5.333 1.00 0.00 C ATOM 1289 O LEU A 83 89.626 -9.065 -6.419 1.00 0.00 O ATOM 1290 CB LEU A 83 89.769 -6.864 -4.528 1.00 0.00 C ATOM 1291 CG LEU A 83 88.430 -7.328 -3.915 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.676 -8.289 -2.752 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.652 -6.120 -3.379 1.00 0.00 C ATOM 0 H LEU A 83 91.947 -6.757 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 83 91.015 -8.316 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.185 -6.052 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.599 -6.470 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 83 87.860 -7.831 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.721 -8.605 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.222 -9.162 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.261 -7.786 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.709 -6.457 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 83 88.242 -5.618 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.451 -5.426 -4.195 1.00 0.00 H new ATOM 1305 N THR A 84 90.215 -10.352 -4.743 1.00 0.00 N ATOM 1306 CA THR A 84 89.635 -11.550 -5.394 1.00 0.00 C ATOM 1307 C THR A 84 88.122 -11.374 -5.472 1.00 0.00 C ATOM 1308 O THR A 84 87.529 -11.564 -6.515 1.00 0.00 O ATOM 1309 CB THR A 84 89.982 -12.805 -4.587 1.00 0.00 C ATOM 1310 OG1 THR A 84 89.242 -12.807 -3.376 1.00 0.00 O ATOM 1311 CG2 THR A 84 91.486 -12.827 -4.273 1.00 0.00 C ATOM 0 H THR A 84 90.645 -10.517 -3.833 1.00 0.00 H new ATOM 0 HA THR A 84 90.045 -11.665 -6.397 1.00 0.00 H new ATOM 0 HB THR A 84 89.728 -13.689 -5.171 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.336 -11.938 -2.934 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.725 -13.722 -3.699 1.00 0.00 H new ATOM 0 HG22 THR A 84 92.052 -12.831 -5.204 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.749 -11.943 -3.692 1.00 0.00 H new ATOM 1319 N SER A 85 87.489 -10.989 -4.387 1.00 0.00 N ATOM 1320 CA SER A 85 86.004 -10.782 -4.432 1.00 0.00 C ATOM 1321 C SER A 85 85.400 -10.853 -3.026 1.00 0.00 C ATOM 1322 O SER A 85 85.904 -11.520 -2.147 1.00 0.00 O ATOM 1323 CB SER A 85 85.351 -11.863 -5.306 1.00 0.00 C ATOM 1324 OG SER A 85 86.147 -13.041 -5.271 1.00 0.00 O ATOM 0 H SER A 85 87.929 -10.811 -3.484 1.00 0.00 H new ATOM 0 HA SER A 85 85.814 -9.795 -4.853 1.00 0.00 H new ATOM 0 HB2 SER A 85 84.345 -12.079 -4.946 1.00 0.00 H new ATOM 0 HB3 SER A 85 85.253 -11.507 -6.332 1.00 0.00 H new ATOM 0 HG SER A 85 86.664 -13.111 -6.100 1.00 0.00 H new ATOM 1330 N GLY A 86 84.309 -10.164 -2.821 1.00 0.00 N ATOM 1331 CA GLY A 86 83.638 -10.176 -1.505 1.00 0.00 C ATOM 1332 C GLY A 86 82.753 -8.939 -1.417 1.00 0.00 C ATOM 1333 O GLY A 86 81.568 -8.984 -1.683 1.00 0.00 O ATOM 0 H GLY A 86 83.853 -9.586 -3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 86 83.041 -11.081 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 86 84.375 -10.176 -0.702 1.00 0.00 H new ATOM 1337 N LYS A 87 83.334 -7.836 -1.052 1.00 0.00 N ATOM 1338 CA LYS A 87 82.574 -6.561 -0.930 1.00 0.00 C ATOM 1339 C LYS A 87 83.478 -5.573 -0.186 1.00 0.00 C ATOM 1340 O LYS A 87 84.677 -5.602 -0.359 1.00 0.00 O ATOM 1341 CB LYS A 87 81.271 -6.803 -0.154 1.00 0.00 C ATOM 1342 CG LYS A 87 81.519 -7.812 0.976 1.00 0.00 C ATOM 1343 CD LYS A 87 80.312 -7.848 1.924 1.00 0.00 C ATOM 1344 CE LYS A 87 79.253 -8.805 1.370 1.00 0.00 C ATOM 1345 NZ LYS A 87 78.050 -8.777 2.249 1.00 0.00 N ATOM 0 H LYS A 87 84.326 -7.760 -0.827 1.00 0.00 H new ATOM 0 HA LYS A 87 82.303 -6.164 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 87 80.903 -5.864 0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 87 80.500 -7.179 -0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 87 81.692 -8.803 0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 87 82.418 -7.538 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 87 80.626 -8.172 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 87 79.892 -6.848 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 87 78.982 -8.516 0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 87 79.654 -9.817 1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 77.330 -9.427 1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 78.315 -9.073 3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 77.664 -7.812 2.278 1.00 0.00 H new ATOM 1359 N TYR A 88 82.956 -4.714 0.649 1.00 0.00 N ATOM 1360 CA TYR A 88 83.866 -3.783 1.376 1.00 0.00 C ATOM 1361 C TYR A 88 84.201 -4.372 2.762 1.00 0.00 C ATOM 1362 O TYR A 88 85.344 -4.414 3.162 1.00 0.00 O ATOM 1363 CB TYR A 88 83.229 -2.392 1.531 1.00 0.00 C ATOM 1364 CG TYR A 88 83.692 -1.790 2.837 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.050 -1.835 3.193 1.00 0.00 C ATOM 1366 CD2 TYR A 88 82.761 -1.235 3.710 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.462 -1.325 4.427 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.174 -0.715 4.941 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.524 -0.765 5.302 1.00 0.00 C ATOM 1370 OH TYR A 88 84.930 -0.269 6.524 1.00 0.00 O ATOM 0 H TYR A 88 81.962 -4.617 0.856 1.00 0.00 H new ATOM 0 HA TYR A 88 84.782 -3.668 0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 88 83.514 -1.751 0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.142 -2.470 1.515 1.00 0.00 H new ATOM 0 HD1 TYR A 88 85.774 -2.263 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 88 81.717 -1.206 3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.505 -1.363 4.706 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.451 -0.275 5.612 1.00 0.00 H new ATOM 0 HH TYR A 88 85.907 -0.314 6.587 1.00 0.00 H new ATOM 1380 N PRO A 89 83.223 -4.818 3.501 1.00 0.00 N ATOM 1381 CA PRO A 89 83.452 -5.395 4.851 1.00 0.00 C ATOM 1382 C PRO A 89 83.835 -6.880 4.791 1.00 0.00 C ATOM 1383 O PRO A 89 83.965 -7.536 5.805 1.00 0.00 O ATOM 1384 CB PRO A 89 82.099 -5.209 5.532 1.00 0.00 C ATOM 1385 CG PRO A 89 81.099 -5.320 4.426 1.00 0.00 C ATOM 1386 CD PRO A 89 81.795 -4.827 3.150 1.00 0.00 C ATOM 0 HA PRO A 89 84.279 -4.917 5.375 1.00 0.00 H new ATOM 0 HB2 PRO A 89 81.932 -5.969 6.295 1.00 0.00 H new ATOM 0 HB3 PRO A 89 82.035 -4.240 6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.763 -6.350 4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.215 -4.719 4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.596 -5.488 2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.448 -3.834 2.865 1.00 0.00 H new ATOM 1394 N ASN A 90 84.014 -7.416 3.611 1.00 0.00 N ATOM 1395 CA ASN A 90 84.385 -8.859 3.499 1.00 0.00 C ATOM 1396 C ASN A 90 85.137 -9.113 2.186 1.00 0.00 C ATOM 1397 O ASN A 90 84.887 -10.080 1.497 1.00 0.00 O ATOM 1398 CB ASN A 90 83.114 -9.710 3.526 1.00 0.00 C ATOM 1399 CG ASN A 90 83.484 -11.173 3.781 1.00 0.00 C ATOM 1400 OD1 ASN A 90 83.484 -11.979 2.872 1.00 0.00 O ATOM 1401 ND2 ASN A 90 83.800 -11.552 4.989 1.00 0.00 N ATOM 0 H ASN A 90 83.920 -6.920 2.725 1.00 0.00 H new ATOM 0 HA ASN A 90 85.031 -9.126 4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 90 82.441 -9.353 4.306 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.582 -9.618 2.579 1.00 0.00 H new ATOM 0 HD21 ASN A 90 84.047 -12.525 5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 90 83.800 -10.875 5.752 1.00 0.00 H new ATOM 1408 N CYS A 91 86.059 -8.256 1.838 1.00 0.00 N ATOM 1409 CA CYS A 91 86.830 -8.445 0.575 1.00 0.00 C ATOM 1410 C CYS A 91 88.011 -9.388 0.827 1.00 0.00 C ATOM 1411 O CYS A 91 88.809 -9.164 1.715 1.00 0.00 O ATOM 1412 CB CYS A 91 87.374 -7.086 0.130 1.00 0.00 C ATOM 1413 SG CYS A 91 87.921 -6.160 1.581 1.00 0.00 S ATOM 0 H CYS A 91 86.313 -7.428 2.377 1.00 0.00 H new ATOM 0 HA CYS A 91 86.182 -8.870 -0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 91 88.204 -7.223 -0.563 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.603 -6.529 -0.402 1.00 0.00 H new ATOM 1418 N ARG A 92 88.150 -10.425 0.039 1.00 0.00 N ATOM 1419 CA ARG A 92 89.306 -11.354 0.228 1.00 0.00 C ATOM 1420 C ARG A 92 90.295 -11.123 -0.916 1.00 0.00 C ATOM 1421 O ARG A 92 89.912 -11.062 -2.073 1.00 0.00 O ATOM 1422 CB ARG A 92 88.824 -12.811 0.225 1.00 0.00 C ATOM 1423 CG ARG A 92 87.577 -12.939 -0.648 1.00 0.00 C ATOM 1424 CD ARG A 92 87.178 -14.412 -0.756 1.00 0.00 C ATOM 1425 NE ARG A 92 85.971 -14.538 -1.620 1.00 0.00 N ATOM 1426 CZ ARG A 92 85.397 -15.699 -1.775 1.00 0.00 C ATOM 1427 NH1 ARG A 92 85.881 -16.752 -1.173 1.00 0.00 N ATOM 1428 NH2 ARG A 92 84.340 -15.809 -2.532 1.00 0.00 N ATOM 0 H ARG A 92 87.517 -10.668 -0.723 1.00 0.00 H new ATOM 0 HA ARG A 92 89.788 -11.160 1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.612 -13.464 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.602 -13.133 1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 92 86.759 -12.360 -0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 92 87.771 -12.530 -1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 92 88.000 -14.993 -1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 92 86.973 -14.818 0.235 1.00 0.00 H new ATOM 0 HE ARG A 92 85.593 -13.716 -2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 92 86.708 -16.666 -0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 92 85.432 -17.660 -1.294 1.00 0.00 H new ATOM 0 HH21 ARG A 92 83.962 -14.987 -3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 92 83.892 -16.717 -2.653 1.00 0.00 H new ATOM 1442 N TYR A 93 91.560 -10.963 -0.600 1.00 0.00 N ATOM 1443 CA TYR A 93 92.575 -10.702 -1.657 1.00 0.00 C ATOM 1444 C TYR A 93 93.505 -11.895 -1.822 1.00 0.00 C ATOM 1445 O TYR A 93 93.615 -12.751 -0.966 1.00 0.00 O ATOM 1446 CB TYR A 93 93.420 -9.493 -1.262 1.00 0.00 C ATOM 1447 CG TYR A 93 92.535 -8.285 -1.148 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.601 -8.205 -0.113 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.641 -7.249 -2.079 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.773 -7.092 -0.007 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.810 -6.134 -1.976 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.875 -6.053 -0.939 1.00 0.00 C ATOM 1453 OH TYR A 93 90.060 -4.949 -0.836 1.00 0.00 O ATOM 0 H TYR A 93 91.928 -11.003 0.350 1.00 0.00 H new ATOM 0 HA TYR A 93 92.049 -10.519 -2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.923 -9.681 -0.313 1.00 0.00 H new ATOM 0 HB3 TYR A 93 94.198 -9.320 -2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.521 -9.007 0.605 1.00 0.00 H new ATOM 0 HD2 TYR A 93 93.366 -7.312 -2.877 1.00 0.00 H new ATOM 0 HE1 TYR A 93 90.052 -7.030 0.794 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.888 -5.333 -2.697 1.00 0.00 H new ATOM 0 HH TYR A 93 89.890 -4.755 0.109 1.00 0.00 H new ATOM 1463 N LYS A 94 94.202 -11.917 -2.917 1.00 0.00 N ATOM 1464 CA LYS A 94 95.179 -12.997 -3.190 1.00 0.00 C ATOM 1465 C LYS A 94 96.541 -12.332 -3.330 1.00 0.00 C ATOM 1466 O LYS A 94 96.669 -11.294 -3.955 1.00 0.00 O ATOM 1467 CB LYS A 94 94.811 -13.719 -4.492 1.00 0.00 C ATOM 1468 CG LYS A 94 94.059 -15.012 -4.164 1.00 0.00 C ATOM 1469 CD LYS A 94 95.043 -16.061 -3.616 1.00 0.00 C ATOM 1470 CE LYS A 94 95.222 -17.190 -4.635 1.00 0.00 C ATOM 1471 NZ LYS A 94 95.648 -16.616 -5.943 1.00 0.00 N ATOM 0 H LYS A 94 94.133 -11.213 -3.652 1.00 0.00 H new ATOM 0 HA LYS A 94 95.184 -13.734 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 94 94.192 -13.074 -5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.712 -13.944 -5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 94 93.278 -14.813 -3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 94 93.566 -15.394 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 94 96.005 -15.594 -3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 94 94.671 -16.465 -2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 94 95.967 -17.902 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 94 94.288 -17.739 -4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 96.135 -17.347 -6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 94.812 -16.282 -6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 96.295 -15.818 -5.778 1.00 0.00 H new ATOM 1485 N GLU A 95 97.553 -12.898 -2.741 1.00 0.00 N ATOM 1486 CA GLU A 95 98.899 -12.274 -2.826 1.00 0.00 C ATOM 1487 C GLU A 95 99.660 -12.854 -4.021 1.00 0.00 C ATOM 1488 O GLU A 95 99.840 -14.049 -4.139 1.00 0.00 O ATOM 1489 CB GLU A 95 99.659 -12.542 -1.516 1.00 0.00 C ATOM 1490 CG GLU A 95 100.499 -13.813 -1.636 1.00 0.00 C ATOM 1491 CD GLU A 95 101.028 -14.210 -0.257 1.00 0.00 C ATOM 1492 OE1 GLU A 95 100.220 -14.357 0.646 1.00 0.00 O ATOM 1493 OE2 GLU A 95 102.231 -14.360 -0.125 1.00 0.00 O ATOM 0 H GLU A 95 97.507 -13.765 -2.205 1.00 0.00 H new ATOM 0 HA GLU A 95 98.804 -11.197 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 95 100.303 -11.694 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 95 98.952 -12.642 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.897 -14.621 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 95 101.330 -13.649 -2.322 1.00 0.00 H new ATOM 1500 N LYS A 96 100.113 -12.011 -4.908 1.00 0.00 N ATOM 1501 CA LYS A 96 100.873 -12.509 -6.089 1.00 0.00 C ATOM 1502 C LYS A 96 102.335 -12.097 -5.933 1.00 0.00 C ATOM 1503 O LYS A 96 102.678 -10.942 -6.061 1.00 0.00 O ATOM 1504 CB LYS A 96 100.298 -11.881 -7.363 1.00 0.00 C ATOM 1505 CG LYS A 96 100.790 -12.656 -8.593 1.00 0.00 C ATOM 1506 CD LYS A 96 99.852 -13.835 -8.873 1.00 0.00 C ATOM 1507 CE LYS A 96 100.309 -14.559 -10.141 1.00 0.00 C ATOM 1508 NZ LYS A 96 99.967 -13.735 -11.334 1.00 0.00 N ATOM 0 H LYS A 96 99.990 -10.999 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 96 100.796 -13.594 -6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 96 99.209 -11.894 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 96 100.603 -10.837 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 96 100.827 -11.996 -9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 96 101.804 -13.018 -8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 96 99.853 -14.523 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 96 98.829 -13.479 -8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 96 101.384 -14.736 -10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 96 99.827 -15.534 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 100.039 -14.319 -12.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 98.996 -13.375 -11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 100.627 -12.935 -11.404 1.00 0.00 H new ATOM 1522 N ARG A 97 103.197 -13.030 -5.651 1.00 0.00 N ATOM 1523 CA ARG A 97 104.635 -12.682 -5.475 1.00 0.00 C ATOM 1524 C ARG A 97 105.290 -12.435 -6.834 1.00 0.00 C ATOM 1525 O ARG A 97 105.512 -13.351 -7.601 1.00 0.00 O ATOM 1526 CB ARG A 97 105.358 -13.834 -4.770 1.00 0.00 C ATOM 1527 CG ARG A 97 106.874 -13.676 -4.944 1.00 0.00 C ATOM 1528 CD ARG A 97 107.602 -14.515 -3.892 1.00 0.00 C ATOM 1529 NE ARG A 97 106.990 -15.872 -3.829 1.00 0.00 N ATOM 1530 CZ ARG A 97 107.412 -16.738 -2.949 1.00 0.00 C ATOM 1531 NH1 ARG A 97 108.369 -16.415 -2.123 1.00 0.00 N ATOM 1532 NH2 ARG A 97 106.876 -17.926 -2.894 1.00 0.00 N ATOM 0 H ARG A 97 102.970 -14.018 -5.534 1.00 0.00 H new ATOM 0 HA ARG A 97 104.706 -11.776 -4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 97 105.103 -13.842 -3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 97 105.032 -14.788 -5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 97 107.170 -13.992 -5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 97 107.154 -12.627 -4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 97 108.660 -14.593 -4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 97 107.539 -14.030 -2.918 1.00 0.00 H new ATOM 0 HE ARG A 97 106.241 -16.124 -4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 97 108.787 -15.486 -2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 97 108.699 -17.092 -1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 97 106.127 -18.178 -3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 97 107.206 -18.603 -2.206 1.00 0.00 H new ATOM 1546 N GLN A 98 105.624 -11.206 -7.125 1.00 0.00 N ATOM 1547 CA GLN A 98 106.295 -10.897 -8.422 1.00 0.00 C ATOM 1548 C GLN A 98 107.658 -10.267 -8.118 1.00 0.00 C ATOM 1549 O GLN A 98 107.937 -9.900 -6.998 1.00 0.00 O ATOM 1550 CB GLN A 98 105.426 -9.922 -9.231 1.00 0.00 C ATOM 1551 CG GLN A 98 104.700 -10.677 -10.350 1.00 0.00 C ATOM 1552 CD GLN A 98 105.718 -11.182 -11.374 1.00 0.00 C ATOM 1553 OE1 GLN A 98 106.891 -10.877 -11.284 1.00 0.00 O ATOM 1554 NE2 GLN A 98 105.317 -11.947 -12.352 1.00 0.00 N ATOM 0 H GLN A 98 105.461 -10.401 -6.520 1.00 0.00 H new ATOM 0 HA GLN A 98 106.431 -11.806 -9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 98 104.701 -9.438 -8.577 1.00 0.00 H new ATOM 0 HB3 GLN A 98 106.047 -9.134 -9.656 1.00 0.00 H new ATOM 0 HG2 GLN A 98 104.142 -11.515 -9.934 1.00 0.00 H new ATOM 0 HG3 GLN A 98 103.976 -10.021 -10.835 1.00 0.00 H new ATOM 0 HE21 GLN A 98 104.333 -12.203 -12.428 1.00 0.00 H new ATOM 0 HE22 GLN A 98 105.988 -12.289 -13.040 1.00 0.00 H new ATOM 1563 N ASN A 99 108.507 -10.141 -9.101 1.00 0.00 N ATOM 1564 CA ASN A 99 109.853 -9.528 -8.864 1.00 0.00 C ATOM 1565 C ASN A 99 110.083 -8.442 -9.905 1.00 0.00 C ATOM 1566 O ASN A 99 110.288 -8.718 -11.069 1.00 0.00 O ATOM 1567 CB ASN A 99 110.936 -10.601 -8.996 1.00 0.00 C ATOM 1568 CG ASN A 99 110.759 -11.644 -7.891 1.00 0.00 C ATOM 1569 OD1 ASN A 99 109.754 -11.659 -7.209 1.00 0.00 O ATOM 1570 ND2 ASN A 99 111.701 -12.523 -7.683 1.00 0.00 N ATOM 0 H ASN A 99 108.330 -10.436 -10.061 1.00 0.00 H new ATOM 0 HA ASN A 99 109.896 -9.100 -7.862 1.00 0.00 H new ATOM 0 HB2 ASN A 99 110.873 -11.078 -9.974 1.00 0.00 H new ATOM 0 HB3 ASN A 99 111.924 -10.146 -8.926 1.00 0.00 H new ATOM 0 HD21 ASN A 99 111.593 -13.222 -6.948 1.00 0.00 H new ATOM 0 HD22 ASN A 99 112.545 -12.511 -8.255 1.00 0.00 H new ATOM 1577 N LYS A 100 110.049 -7.208 -9.493 1.00 0.00 N ATOM 1578 CA LYS A 100 110.256 -6.095 -10.457 1.00 0.00 C ATOM 1579 C LYS A 100 110.750 -4.866 -9.700 1.00 0.00 C ATOM 1580 O LYS A 100 110.511 -4.717 -8.519 1.00 0.00 O ATOM 1581 CB LYS A 100 108.930 -5.758 -11.162 1.00 0.00 C ATOM 1582 CG LYS A 100 108.032 -6.998 -11.239 1.00 0.00 C ATOM 1583 CD LYS A 100 106.691 -6.618 -11.872 1.00 0.00 C ATOM 1584 CE LYS A 100 106.080 -7.839 -12.566 1.00 0.00 C ATOM 1585 NZ LYS A 100 106.742 -8.042 -13.885 1.00 0.00 N ATOM 0 H LYS A 100 109.886 -6.921 -8.528 1.00 0.00 H new ATOM 0 HA LYS A 100 110.992 -6.395 -11.203 1.00 0.00 H new ATOM 0 HB2 LYS A 100 108.416 -4.963 -10.622 1.00 0.00 H new ATOM 0 HB3 LYS A 100 109.130 -5.384 -12.166 1.00 0.00 H new ATOM 0 HG2 LYS A 100 108.517 -7.776 -11.829 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.873 -7.407 -10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 100 106.010 -6.245 -11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.834 -5.812 -12.592 1.00 0.00 H new ATOM 0 HE2 LYS A 100 106.205 -8.725 -11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 100 105.008 -7.695 -12.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 106.739 -9.054 -14.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 106.227 -7.513 -14.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 107.723 -7.701 -13.837 1.00 0.00 H new ATOM 1599 N SER A 101 111.423 -3.976 -10.371 1.00 0.00 N ATOM 1600 CA SER A 101 111.916 -2.752 -9.684 1.00 0.00 C ATOM 1601 C SER A 101 110.768 -1.750 -9.640 1.00 0.00 C ATOM 1602 O SER A 101 110.275 -1.323 -10.659 1.00 0.00 O ATOM 1603 CB SER A 101 113.097 -2.164 -10.460 1.00 0.00 C ATOM 1604 OG SER A 101 113.795 -3.214 -11.117 1.00 0.00 O ATOM 0 H SER A 101 111.653 -4.042 -11.363 1.00 0.00 H new ATOM 0 HA SER A 101 112.252 -2.987 -8.674 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.742 -1.436 -11.189 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.766 -1.635 -9.781 1.00 0.00 H new ATOM 0 HG SER A 101 114.552 -2.842 -11.616 1.00 0.00 H new ATOM 1610 N TYR A 102 110.313 -1.398 -8.472 1.00 0.00 N ATOM 1611 CA TYR A 102 109.166 -0.457 -8.377 1.00 0.00 C ATOM 1612 C TYR A 102 109.646 0.943 -8.064 1.00 0.00 C ATOM 1613 O TYR A 102 110.824 1.209 -8.008 1.00 0.00 O ATOM 1614 CB TYR A 102 108.266 -0.907 -7.237 1.00 0.00 C ATOM 1615 CG TYR A 102 109.124 -1.206 -6.024 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.938 -0.211 -5.451 1.00 0.00 C ATOM 1617 CD2 TYR A 102 109.105 -2.483 -5.468 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.719 -0.507 -4.328 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.882 -2.773 -4.345 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.689 -1.786 -3.775 1.00 0.00 C ATOM 1621 OH TYR A 102 111.462 -2.081 -2.672 1.00 0.00 O ATOM 0 H TYR A 102 110.686 -1.721 -7.579 1.00 0.00 H new ATOM 0 HA TYR A 102 108.636 -0.453 -9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.538 -0.130 -7.002 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.703 -1.794 -7.528 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.960 0.781 -5.878 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.487 -3.252 -5.907 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.345 0.256 -3.890 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.859 -3.764 -3.916 1.00 0.00 H new ATOM 0 HH TYR A 102 111.022 -2.777 -2.141 1.00 0.00 H new ATOM 1631 N VAL A 103 108.719 1.833 -7.833 1.00 0.00 N ATOM 1632 CA VAL A 103 109.079 3.232 -7.491 1.00 0.00 C ATOM 1633 C VAL A 103 108.324 3.654 -6.249 1.00 0.00 C ATOM 1634 O VAL A 103 107.124 3.836 -6.268 1.00 0.00 O ATOM 1635 CB VAL A 103 108.695 4.153 -8.631 1.00 0.00 C ATOM 1636 CG1 VAL A 103 109.665 5.342 -8.706 1.00 0.00 C ATOM 1637 CG2 VAL A 103 108.731 3.346 -9.917 1.00 0.00 C ATOM 0 H VAL A 103 107.717 1.645 -7.868 1.00 0.00 H new ATOM 0 HA VAL A 103 110.153 3.292 -7.316 1.00 0.00 H new ATOM 0 HB VAL A 103 107.694 4.555 -8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 103 109.377 5.995 -9.530 1.00 0.00 H new ATOM 0 HG12 VAL A 103 109.629 5.900 -7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.678 4.975 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.458 3.986 -10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.736 2.953 -10.072 1.00 0.00 H new ATOM 0 HG23 VAL A 103 108.025 2.519 -9.847 1.00 0.00 H new ATOM 1647 N VAL A 104 109.021 3.826 -5.176 1.00 0.00 N ATOM 1648 CA VAL A 104 108.353 4.260 -3.921 1.00 0.00 C ATOM 1649 C VAL A 104 108.831 5.675 -3.581 1.00 0.00 C ATOM 1650 O VAL A 104 109.961 6.035 -3.843 1.00 0.00 O ATOM 1651 CB VAL A 104 108.662 3.266 -2.777 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.606 2.171 -3.272 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.304 3.988 -1.590 1.00 0.00 C ATOM 0 H VAL A 104 110.029 3.686 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 104 107.271 4.272 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 104 107.722 2.819 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.817 1.477 -2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 104 109.138 1.633 -4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.537 2.621 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.513 3.270 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.235 4.457 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.622 4.752 -1.217 1.00 0.00 H new ATOM 1663 N ALA A 105 107.980 6.485 -3.008 1.00 0.00 N ATOM 1664 CA ALA A 105 108.395 7.871 -2.666 1.00 0.00 C ATOM 1665 C ALA A 105 108.937 7.886 -1.246 1.00 0.00 C ATOM 1666 O ALA A 105 108.793 6.928 -0.511 1.00 0.00 O ATOM 1667 CB ALA A 105 107.196 8.815 -2.776 1.00 0.00 C ATOM 0 H ALA A 105 107.019 6.245 -2.764 1.00 0.00 H new ATOM 0 HA ALA A 105 109.168 8.205 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.507 9.829 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.811 8.796 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.415 8.493 -2.087 1.00 0.00 H new ATOM 1673 N CYS A 106 109.594 8.945 -0.859 1.00 0.00 N ATOM 1674 CA CYS A 106 110.176 8.981 0.519 1.00 0.00 C ATOM 1675 C CYS A 106 109.725 10.232 1.278 1.00 0.00 C ATOM 1676 O CYS A 106 109.396 11.244 0.694 1.00 0.00 O ATOM 1677 CB CYS A 106 111.708 8.956 0.417 1.00 0.00 C ATOM 1678 SG CYS A 106 112.197 8.590 -1.286 1.00 0.00 S ATOM 0 H CYS A 106 109.753 9.778 -1.426 1.00 0.00 H new ATOM 0 HA CYS A 106 109.824 8.110 1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 106 112.119 9.917 0.725 1.00 0.00 H new ATOM 0 HB3 CYS A 106 112.115 8.204 1.093 1.00 0.00 H new ATOM 1683 N LYS A 107 109.718 10.157 2.589 1.00 0.00 N ATOM 1684 CA LYS A 107 109.295 11.328 3.417 1.00 0.00 C ATOM 1685 C LYS A 107 110.098 11.331 4.723 1.00 0.00 C ATOM 1686 O LYS A 107 110.624 10.312 5.139 1.00 0.00 O ATOM 1687 CB LYS A 107 107.797 11.206 3.748 1.00 0.00 C ATOM 1688 CG LYS A 107 106.950 11.820 2.619 1.00 0.00 C ATOM 1689 CD LYS A 107 106.712 13.311 2.881 1.00 0.00 C ATOM 1690 CE LYS A 107 105.621 13.824 1.939 1.00 0.00 C ATOM 1691 NZ LYS A 107 105.940 13.416 0.542 1.00 0.00 N ATOM 0 H LYS A 107 109.989 9.330 3.121 1.00 0.00 H new ATOM 0 HA LYS A 107 109.474 12.251 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.531 10.157 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.583 11.712 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.457 11.688 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 107 105.995 11.300 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 107 106.415 13.467 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 107 107.634 13.871 2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 107 104.652 13.422 2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 107 105.549 14.910 2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 105.407 14.011 -0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 106.959 13.532 0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 105.677 12.420 0.403 1.00 0.00 H new ATOM 1705 N PRO A 108 110.185 12.463 5.374 1.00 0.00 N ATOM 1706 CA PRO A 108 110.924 12.583 6.660 1.00 0.00 C ATOM 1707 C PRO A 108 110.199 11.844 7.799 1.00 0.00 C ATOM 1708 O PRO A 108 108.997 11.952 7.944 1.00 0.00 O ATOM 1709 CB PRO A 108 110.960 14.093 6.930 1.00 0.00 C ATOM 1710 CG PRO A 108 109.809 14.659 6.167 1.00 0.00 C ATOM 1711 CD PRO A 108 109.597 13.748 4.958 1.00 0.00 C ATOM 0 HA PRO A 108 111.917 12.138 6.606 1.00 0.00 H new ATOM 0 HB2 PRO A 108 110.867 14.304 7.995 1.00 0.00 H new ATOM 0 HB3 PRO A 108 111.903 14.529 6.600 1.00 0.00 H new ATOM 0 HG2 PRO A 108 108.913 14.695 6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 108 110.019 15.681 5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 108 108.539 13.644 4.717 1.00 0.00 H new ATOM 0 HD3 PRO A 108 110.089 14.143 4.069 1.00 0.00 H new ATOM 1719 N PRO A 109 110.921 11.103 8.601 1.00 0.00 N ATOM 1720 CA PRO A 109 110.331 10.344 9.739 1.00 0.00 C ATOM 1721 C PRO A 109 109.373 11.216 10.560 1.00 0.00 C ATOM 1722 O PRO A 109 109.791 12.075 11.311 1.00 0.00 O ATOM 1723 CB PRO A 109 111.548 9.930 10.573 1.00 0.00 C ATOM 1724 CG PRO A 109 112.716 9.951 9.643 1.00 0.00 C ATOM 1725 CD PRO A 109 112.374 10.917 8.510 1.00 0.00 C ATOM 0 HA PRO A 109 109.736 9.494 9.407 1.00 0.00 H new ATOM 0 HB2 PRO A 109 111.701 10.616 11.406 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.408 8.937 11.000 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.617 10.273 10.164 1.00 0.00 H new ATOM 0 HG3 PRO A 109 112.914 8.953 9.251 1.00 0.00 H new ATOM 0 HD2 PRO A 109 112.902 11.864 8.625 1.00 0.00 H new ATOM 0 HD3 PRO A 109 112.660 10.508 7.541 1.00 0.00 H new ATOM 1733 N GLN A 110 108.092 11.008 10.412 1.00 0.00 N ATOM 1734 CA GLN A 110 107.105 11.830 11.171 1.00 0.00 C ATOM 1735 C GLN A 110 107.465 11.834 12.656 1.00 0.00 C ATOM 1736 O GLN A 110 108.349 12.544 13.093 1.00 0.00 O ATOM 1737 CB GLN A 110 105.705 11.235 10.998 1.00 0.00 C ATOM 1738 CG GLN A 110 105.365 11.136 9.512 1.00 0.00 C ATOM 1739 CD GLN A 110 105.000 12.521 8.975 1.00 0.00 C ATOM 1740 OE1 GLN A 110 104.339 13.290 9.644 1.00 0.00 O ATOM 1741 NE2 GLN A 110 105.405 12.874 7.786 1.00 0.00 N ATOM 0 H GLN A 110 107.686 10.303 9.797 1.00 0.00 H new ATOM 0 HA GLN A 110 107.124 12.851 10.790 1.00 0.00 H new ATOM 0 HB2 GLN A 110 105.660 10.247 11.457 1.00 0.00 H new ATOM 0 HB3 GLN A 110 104.970 11.857 11.508 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.215 10.733 8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.534 10.447 9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 110 105.960 12.229 7.224 1.00 0.00 H new ATOM 0 HE22 GLN A 110 105.167 13.795 7.419 1.00 0.00 H new ATOM 1750 N LYS A 111 106.777 11.043 13.434 1.00 0.00 N ATOM 1751 CA LYS A 111 107.053 10.981 14.894 1.00 0.00 C ATOM 1752 C LYS A 111 107.355 9.534 15.258 1.00 0.00 C ATOM 1753 O LYS A 111 108.157 9.253 16.126 1.00 0.00 O ATOM 1754 CB LYS A 111 105.818 11.450 15.669 1.00 0.00 C ATOM 1755 CG LYS A 111 105.292 12.764 15.073 1.00 0.00 C ATOM 1756 CD LYS A 111 103.784 12.869 15.318 1.00 0.00 C ATOM 1757 CE LYS A 111 103.348 14.333 15.232 1.00 0.00 C ATOM 1758 NZ LYS A 111 103.602 14.847 13.857 1.00 0.00 N ATOM 0 H LYS A 111 106.027 10.431 13.114 1.00 0.00 H new ATOM 0 HA LYS A 111 107.898 11.622 15.146 1.00 0.00 H new ATOM 0 HB2 LYS A 111 105.041 10.686 15.629 1.00 0.00 H new ATOM 0 HB3 LYS A 111 106.070 11.593 16.720 1.00 0.00 H new ATOM 0 HG2 LYS A 111 105.805 13.612 15.527 1.00 0.00 H new ATOM 0 HG3 LYS A 111 105.501 12.800 14.004 1.00 0.00 H new ATOM 0 HD2 LYS A 111 103.244 12.275 14.581 1.00 0.00 H new ATOM 0 HD3 LYS A 111 103.536 12.463 16.299 1.00 0.00 H new ATOM 0 HE2 LYS A 111 102.289 14.423 15.476 1.00 0.00 H new ATOM 0 HE3 LYS A 111 103.895 14.930 15.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 103.113 15.756 13.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 104.624 14.982 13.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 103.247 14.162 13.159 1.00 0.00 H new ATOM 1772 N LYS A 112 106.723 8.608 14.589 1.00 0.00 N ATOM 1773 CA LYS A 112 106.982 7.180 14.889 1.00 0.00 C ATOM 1774 C LYS A 112 108.439 6.874 14.543 1.00 0.00 C ATOM 1775 O LYS A 112 109.092 6.107 15.220 1.00 0.00 O ATOM 1776 CB LYS A 112 106.032 6.301 14.060 1.00 0.00 C ATOM 1777 CG LYS A 112 105.428 5.207 14.944 1.00 0.00 C ATOM 1778 CD LYS A 112 106.466 4.107 15.181 1.00 0.00 C ATOM 1779 CE LYS A 112 105.835 2.977 15.996 1.00 0.00 C ATOM 1780 NZ LYS A 112 106.876 1.964 16.329 1.00 0.00 N ATOM 0 H LYS A 112 106.041 8.783 13.851 1.00 0.00 H new ATOM 0 HA LYS A 112 106.807 6.971 15.944 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.239 6.913 13.631 1.00 0.00 H new ATOM 0 HB3 LYS A 112 106.573 5.851 13.228 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.108 5.630 15.896 1.00 0.00 H new ATOM 0 HG3 LYS A 112 104.542 4.788 14.467 1.00 0.00 H new ATOM 0 HD2 LYS A 112 106.829 3.723 14.228 1.00 0.00 H new ATOM 0 HD3 LYS A 112 107.328 4.514 15.710 1.00 0.00 H new ATOM 0 HE2 LYS A 112 105.394 3.375 16.910 1.00 0.00 H new ATOM 0 HE3 LYS A 112 105.028 2.512 15.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 106.448 1.195 16.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 107.276 1.576 15.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 107.631 2.413 16.886 1.00 0.00 H new ATOM 1794 N ASP A 113 108.954 7.493 13.503 1.00 0.00 N ATOM 1795 CA ASP A 113 110.383 7.276 13.103 1.00 0.00 C ATOM 1796 C ASP A 113 110.944 5.995 13.728 1.00 0.00 C ATOM 1797 O ASP A 113 111.324 5.975 14.883 1.00 0.00 O ATOM 1798 CB ASP A 113 111.215 8.465 13.587 1.00 0.00 C ATOM 1799 CG ASP A 113 112.688 8.234 13.245 1.00 0.00 C ATOM 1800 OD1 ASP A 113 112.953 7.686 12.188 1.00 0.00 O ATOM 1801 OD2 ASP A 113 113.526 8.606 14.050 1.00 0.00 O ATOM 0 H ASP A 113 108.440 8.145 12.910 1.00 0.00 H new ATOM 0 HA ASP A 113 110.430 7.182 12.018 1.00 0.00 H new ATOM 0 HB2 ASP A 113 110.862 9.384 13.118 1.00 0.00 H new ATOM 0 HB3 ASP A 113 111.097 8.591 14.663 1.00 0.00 H new ATOM 1806 N SER A 114 111.010 4.927 12.983 1.00 0.00 N ATOM 1807 CA SER A 114 111.554 3.667 13.560 1.00 0.00 C ATOM 1808 C SER A 114 112.982 3.909 14.056 1.00 0.00 C ATOM 1809 O SER A 114 113.491 3.179 14.882 1.00 0.00 O ATOM 1810 CB SER A 114 111.537 2.555 12.505 1.00 0.00 C ATOM 1811 OG SER A 114 110.625 1.543 12.911 1.00 0.00 O ATOM 0 H SER A 114 110.714 4.872 12.009 1.00 0.00 H new ATOM 0 HA SER A 114 110.933 3.355 14.400 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.243 2.960 11.537 1.00 0.00 H new ATOM 0 HB3 SER A 114 112.536 2.135 12.385 1.00 0.00 H new ATOM 0 HG SER A 114 110.608 0.829 12.240 1.00 0.00 H new ATOM 1817 N GLN A 115 113.628 4.935 13.573 1.00 0.00 N ATOM 1818 CA GLN A 115 115.012 5.219 14.041 1.00 0.00 C ATOM 1819 C GLN A 115 115.427 6.633 13.622 1.00 0.00 C ATOM 1820 O GLN A 115 115.877 7.409 14.438 1.00 0.00 O ATOM 1821 CB GLN A 115 115.990 4.193 13.453 1.00 0.00 C ATOM 1822 CG GLN A 115 115.549 3.800 12.046 1.00 0.00 C ATOM 1823 CD GLN A 115 116.577 2.846 11.436 1.00 0.00 C ATOM 1824 OE1 GLN A 115 117.641 2.528 12.121 1.00 0.00 O flip ATOM 1825 NE2 GLN A 115 116.411 2.385 10.324 1.00 0.00 N flip ATOM 0 H GLN A 115 113.259 5.585 12.879 1.00 0.00 H new ATOM 0 HA GLN A 115 115.036 5.148 15.128 1.00 0.00 H new ATOM 0 HB2 GLN A 115 116.996 4.612 13.424 1.00 0.00 H new ATOM 0 HB3 GLN A 115 116.031 3.310 14.091 1.00 0.00 H new ATOM 0 HG2 GLN A 115 114.570 3.322 12.081 1.00 0.00 H new ATOM 0 HG3 GLN A 115 115.448 4.689 11.424 1.00 0.00 H new ATOM 0 HE21 GLN A 115 115.579 2.633 9.788 1.00 0.00 H new ATOM 0 HE22 GLN A 115 117.103 1.750 9.927 1.00 0.00 H new ATOM 1834 N GLN A 116 115.283 6.978 12.364 1.00 0.00 N ATOM 1835 CA GLN A 116 115.686 8.357 11.923 1.00 0.00 C ATOM 1836 C GLN A 116 115.767 8.449 10.392 1.00 0.00 C ATOM 1837 O GLN A 116 115.772 9.529 9.840 1.00 0.00 O ATOM 1838 CB GLN A 116 117.071 8.692 12.490 1.00 0.00 C ATOM 1839 CG GLN A 116 118.010 7.496 12.285 1.00 0.00 C ATOM 1840 CD GLN A 116 119.462 7.978 12.271 1.00 0.00 C ATOM 1841 OE1 GLN A 116 120.082 8.045 11.228 1.00 0.00 O ATOM 1842 NE2 GLN A 116 120.035 8.320 13.393 1.00 0.00 N ATOM 0 H GLN A 116 114.909 6.376 11.631 1.00 0.00 H new ATOM 0 HA GLN A 116 114.934 9.056 12.288 1.00 0.00 H new ATOM 0 HB2 GLN A 116 117.475 9.575 11.994 1.00 0.00 H new ATOM 0 HB3 GLN A 116 116.994 8.930 13.551 1.00 0.00 H new ATOM 0 HG2 GLN A 116 117.866 6.767 13.083 1.00 0.00 H new ATOM 0 HG3 GLN A 116 117.775 6.993 11.347 1.00 0.00 H new ATOM 0 HE21 GLN A 116 119.515 8.264 14.269 1.00 0.00 H new ATOM 0 HE22 GLN A 116 121.002 8.643 13.394 1.00 0.00 H new ATOM 1851 N PHE A 117 115.857 7.333 9.714 1.00 0.00 N ATOM 1852 CA PHE A 117 115.969 7.333 8.213 1.00 0.00 C ATOM 1853 C PHE A 117 116.191 8.743 7.658 1.00 0.00 C ATOM 1854 O PHE A 117 117.285 9.084 7.260 1.00 0.00 O ATOM 1855 CB PHE A 117 114.697 6.761 7.600 1.00 0.00 C ATOM 1856 CG PHE A 117 114.297 5.523 8.356 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.605 5.637 9.565 1.00 0.00 C ATOM 1858 CD2 PHE A 117 114.623 4.261 7.850 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.237 4.489 10.268 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.255 3.111 8.553 1.00 0.00 C ATOM 1861 CZ PHE A 117 113.562 3.223 9.762 1.00 0.00 C ATOM 0 H PHE A 117 115.858 6.405 10.138 1.00 0.00 H new ATOM 0 HA PHE A 117 116.830 6.719 7.951 1.00 0.00 H new ATOM 0 HB2 PHE A 117 113.896 7.500 7.639 1.00 0.00 H new ATOM 0 HB3 PHE A 117 114.861 6.523 6.549 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.355 6.613 9.955 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.159 4.175 6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 117 112.702 4.576 11.202 1.00 0.00 H new ATOM 0 HE2 PHE A 117 114.506 2.136 8.163 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.277 2.334 10.306 1.00 0.00 H new ATOM 1871 N HIS A 118 115.146 9.541 7.597 1.00 0.00 N ATOM 1872 CA HIS A 118 115.254 10.932 7.032 1.00 0.00 C ATOM 1873 C HIS A 118 114.720 10.887 5.605 1.00 0.00 C ATOM 1874 O HIS A 118 114.969 11.759 4.798 1.00 0.00 O ATOM 1875 CB HIS A 118 116.707 11.428 7.023 1.00 0.00 C ATOM 1876 CG HIS A 118 116.724 12.923 6.854 1.00 0.00 C ATOM 1877 ND1 HIS A 118 115.806 13.749 7.487 1.00 0.00 N ATOM 1878 CD2 HIS A 118 117.540 13.755 6.127 1.00 0.00 C ATOM 1879 CE1 HIS A 118 116.090 15.017 7.133 1.00 0.00 C ATOM 1880 NE2 HIS A 118 117.135 15.073 6.306 1.00 0.00 N ATOM 0 H HIS A 118 114.212 9.286 7.918 1.00 0.00 H new ATOM 0 HA HIS A 118 114.681 11.622 7.652 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.203 11.150 7.953 1.00 0.00 H new ATOM 0 HB3 HIS A 118 117.260 10.953 6.213 1.00 0.00 H new ATOM 0 HD2 HIS A 118 118.368 13.435 5.512 1.00 0.00 H new ATOM 0 HE1 HIS A 118 115.540 15.881 7.476 1.00 0.00 H new ATOM 0 HE2 HIS A 118 117.550 15.908 5.892 1.00 0.00 H new ATOM 1889 N LEU A 119 113.986 9.850 5.310 1.00 0.00 N ATOM 1890 CA LEU A 119 113.403 9.658 3.946 1.00 0.00 C ATOM 1891 C LEU A 119 112.673 8.317 3.938 1.00 0.00 C ATOM 1892 O LEU A 119 112.639 7.603 2.961 1.00 0.00 O ATOM 1893 CB LEU A 119 114.526 9.681 2.885 1.00 0.00 C ATOM 1894 CG LEU A 119 115.349 8.357 2.814 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.210 7.500 4.084 1.00 0.00 C ATOM 1896 CD2 LEU A 119 114.921 7.520 1.595 1.00 0.00 C ATOM 0 H LEU A 119 113.759 9.108 5.972 1.00 0.00 H new ATOM 0 HA LEU A 119 112.706 10.461 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 119 114.086 9.878 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.202 10.508 3.102 1.00 0.00 H new ATOM 0 HG LEU A 119 116.394 8.652 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 119 115.804 6.592 3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.564 8.066 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.163 7.234 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.505 6.601 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 119 113.862 7.274 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 119 115.092 8.092 0.683 1.00 0.00 H new ATOM 1908 N VAL A 120 112.114 7.977 5.057 1.00 0.00 N ATOM 1909 CA VAL A 120 111.396 6.684 5.217 1.00 0.00 C ATOM 1910 C VAL A 120 110.634 6.306 3.932 1.00 0.00 C ATOM 1911 O VAL A 120 110.269 7.162 3.152 1.00 0.00 O ATOM 1912 CB VAL A 120 110.433 6.853 6.395 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.243 7.270 7.629 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.396 7.947 6.074 1.00 0.00 C ATOM 0 H VAL A 120 112.124 8.558 5.895 1.00 0.00 H new ATOM 0 HA VAL A 120 112.102 5.875 5.406 1.00 0.00 H new ATOM 0 HB VAL A 120 109.911 5.914 6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.572 7.395 8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 120 111.979 6.500 7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 120 111.754 8.212 7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.715 8.061 6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 120 109.908 8.892 5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 120 108.831 7.663 5.186 1.00 0.00 H new ATOM 1924 N PRO A 121 110.385 5.028 3.718 1.00 0.00 N ATOM 1925 CA PRO A 121 109.643 4.542 2.519 1.00 0.00 C ATOM 1926 C PRO A 121 108.152 4.786 2.718 1.00 0.00 C ATOM 1927 O PRO A 121 107.469 4.036 3.386 1.00 0.00 O ATOM 1928 CB PRO A 121 109.965 3.049 2.477 1.00 0.00 C ATOM 1929 CG PRO A 121 110.195 2.669 3.900 1.00 0.00 C ATOM 1930 CD PRO A 121 110.770 3.907 4.595 1.00 0.00 C ATOM 0 HA PRO A 121 109.919 5.044 1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.143 2.479 2.043 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.847 2.851 1.867 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.264 2.356 4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 121 110.886 1.829 3.970 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.360 4.027 5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 121 111.853 3.838 4.700 1.00 0.00 H new ATOM 1938 N VAL A 122 107.668 5.876 2.209 1.00 0.00 N ATOM 1939 CA VAL A 122 106.248 6.245 2.430 1.00 0.00 C ATOM 1940 C VAL A 122 105.318 5.741 1.315 1.00 0.00 C ATOM 1941 O VAL A 122 104.630 4.759 1.480 1.00 0.00 O ATOM 1942 CB VAL A 122 106.183 7.781 2.569 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.432 8.398 1.948 1.00 0.00 C ATOM 1944 CG2 VAL A 122 104.958 8.359 1.865 1.00 0.00 C ATOM 0 H VAL A 122 108.201 6.536 1.642 1.00 0.00 H new ATOM 0 HA VAL A 122 105.889 5.761 3.338 1.00 0.00 H new ATOM 0 HB VAL A 122 106.118 8.016 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.389 9.483 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.317 8.023 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.484 8.130 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 122 104.947 9.442 1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 122 104.998 8.112 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 122 104.054 7.936 2.303 1.00 0.00 H new ATOM 1954 N HIS A 123 105.232 6.438 0.220 1.00 0.00 N ATOM 1955 CA HIS A 123 104.269 6.032 -0.847 1.00 0.00 C ATOM 1956 C HIS A 123 104.903 5.098 -1.875 1.00 0.00 C ATOM 1957 O HIS A 123 106.092 4.856 -1.884 1.00 0.00 O ATOM 1958 CB HIS A 123 103.773 7.300 -1.555 1.00 0.00 C ATOM 1959 CG HIS A 123 102.380 7.097 -2.088 1.00 0.00 C ATOM 1960 ND1 HIS A 123 101.909 6.475 -3.218 1.00 0.00 N flip ATOM 1961 CD2 HIS A 123 101.259 7.593 -1.434 1.00 0.00 C flip ATOM 1962 CE1 HIS A 123 100.524 6.585 -3.266 1.00 0.00 C flip ATOM 1963 NE2 HIS A 123 100.181 7.266 -2.171 1.00 0.00 N flip ATOM 0 H HIS A 123 105.784 7.271 0.014 1.00 0.00 H new ATOM 0 HA HIS A 123 103.448 5.490 -0.379 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.784 8.139 -0.860 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.448 7.555 -2.372 1.00 0.00 H new ATOM 0 HD2 HIS A 123 101.253 8.141 -0.504 1.00 0.00 H new ATOM 0 HE1 HIS A 123 99.864 6.200 -4.029 1.00 0.00 H new ATOM 0 HE2 HIS A 123 99.222 7.509 -1.923 1.00 0.00 H new ATOM 1972 N LEU A 124 104.084 4.598 -2.760 1.00 0.00 N ATOM 1973 CA LEU A 124 104.558 3.700 -3.844 1.00 0.00 C ATOM 1974 C LEU A 124 104.122 4.330 -5.166 1.00 0.00 C ATOM 1975 O LEU A 124 102.953 4.335 -5.501 1.00 0.00 O ATOM 1976 CB LEU A 124 103.921 2.318 -3.690 1.00 0.00 C ATOM 1977 CG LEU A 124 104.299 1.438 -4.902 1.00 0.00 C ATOM 1978 CD1 LEU A 124 104.926 0.120 -4.429 1.00 0.00 C ATOM 1979 CD2 LEU A 124 103.050 1.142 -5.746 1.00 0.00 C ATOM 0 H LEU A 124 103.081 4.781 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 124 105.641 3.580 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 124 104.262 1.850 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.837 2.411 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 124 105.025 1.977 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 124 105.187 -0.490 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 124 105.825 0.332 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 124 104.212 -0.420 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 124 103.326 0.521 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 124 102.315 0.616 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 124 102.622 2.079 -6.103 1.00 0.00 H new ATOM 1991 N ASP A 125 105.033 4.897 -5.907 1.00 0.00 N ATOM 1992 CA ASP A 125 104.628 5.559 -7.177 1.00 0.00 C ATOM 1993 C ASP A 125 104.128 4.524 -8.188 1.00 0.00 C ATOM 1994 O ASP A 125 103.097 4.705 -8.804 1.00 0.00 O ATOM 1995 CB ASP A 125 105.819 6.334 -7.754 1.00 0.00 C ATOM 1996 CG ASP A 125 105.369 7.740 -8.161 1.00 0.00 C ATOM 1997 OD1 ASP A 125 104.888 8.459 -7.300 1.00 0.00 O ATOM 1998 OD2 ASP A 125 105.512 8.072 -9.326 1.00 0.00 O ATOM 0 H ASP A 125 106.029 4.931 -5.691 1.00 0.00 H new ATOM 0 HA ASP A 125 103.814 6.253 -6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 125 106.617 6.397 -7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 125 106.225 5.807 -8.618 1.00 0.00 H new ATOM 2003 N ARG A 126 104.839 3.448 -8.375 1.00 0.00 N ATOM 2004 CA ARG A 126 104.372 2.432 -9.360 1.00 0.00 C ATOM 2005 C ARG A 126 105.261 1.196 -9.318 1.00 0.00 C ATOM 2006 O ARG A 126 106.199 1.116 -8.556 1.00 0.00 O ATOM 2007 CB ARG A 126 104.403 3.020 -10.771 1.00 0.00 C ATOM 2008 CG ARG A 126 105.751 3.700 -11.048 1.00 0.00 C ATOM 2009 CD ARG A 126 105.550 4.863 -12.023 1.00 0.00 C ATOM 2010 NE ARG A 126 104.865 5.986 -11.322 1.00 0.00 N ATOM 2011 CZ ARG A 126 104.302 6.939 -12.012 1.00 0.00 C ATOM 2012 NH1 ARG A 126 104.338 6.909 -13.316 1.00 0.00 N ATOM 2013 NH2 ARG A 126 103.702 7.922 -11.399 1.00 0.00 N ATOM 0 H ARG A 126 105.712 3.229 -7.896 1.00 0.00 H new ATOM 0 HA ARG A 126 103.352 2.149 -9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 126 104.232 2.231 -11.503 1.00 0.00 H new ATOM 0 HB3 ARG A 126 103.595 3.743 -10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.184 4.064 -10.116 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.454 2.979 -11.466 1.00 0.00 H new ATOM 0 HD2 ARG A 126 106.512 5.196 -12.412 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.956 4.537 -12.877 1.00 0.00 H new ATOM 0 HE ARG A 126 104.837 6.009 -10.303 1.00 0.00 H new ATOM 0 HH11 ARG A 126 104.806 6.140 -13.796 1.00 0.00 H new ATOM 0 HH12 ARG A 126 103.898 7.654 -13.856 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.673 7.946 -10.380 1.00 0.00 H new ATOM 0 HH22 ARG A 126 103.262 8.667 -11.939 1.00 0.00 H new ATOM 2027 N VAL A 127 104.960 0.226 -10.137 1.00 0.00 N ATOM 2028 CA VAL A 127 105.774 -1.021 -10.166 1.00 0.00 C ATOM 2029 C VAL A 127 106.419 -1.161 -11.550 1.00 0.00 C ATOM 2030 O VAL A 127 105.774 -0.981 -12.563 1.00 0.00 O ATOM 2031 CB VAL A 127 104.864 -2.221 -9.880 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.619 -3.241 -9.029 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.632 -1.742 -9.110 1.00 0.00 C ATOM 0 H VAL A 127 104.179 0.245 -10.792 1.00 0.00 H new ATOM 0 HA VAL A 127 106.557 -0.981 -9.408 1.00 0.00 H new ATOM 0 HB VAL A 127 104.560 -2.682 -10.820 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.972 -4.095 -8.825 1.00 0.00 H new ATOM 0 HG12 VAL A 127 106.506 -3.578 -9.566 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.918 -2.780 -8.088 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.980 -2.590 -8.903 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.945 -1.287 -8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 127 103.093 -1.007 -9.707 1.00 0.00 H new ATOM 2043 N LEU A 128 107.690 -1.468 -11.599 1.00 0.00 N ATOM 2044 CA LEU A 128 108.385 -1.606 -12.914 1.00 0.00 C ATOM 2045 C LEU A 128 108.990 -3.008 -13.023 1.00 0.00 C ATOM 2046 O LEU A 128 109.994 -3.251 -12.374 1.00 0.00 O ATOM 2047 CB LEU A 128 109.501 -0.549 -13.005 1.00 0.00 C ATOM 2048 CG LEU A 128 109.416 0.198 -14.341 1.00 0.00 C ATOM 2049 CD1 LEU A 128 108.305 1.249 -14.277 1.00 0.00 C ATOM 2050 CD2 LEU A 128 110.751 0.892 -14.616 1.00 0.00 C ATOM 2051 OXT LEU A 128 108.439 -3.814 -13.754 1.00 0.00 O ATOM 0 H LEU A 128 108.278 -1.630 -10.782 1.00 0.00 H new ATOM 0 HA LEU A 128 107.675 -1.457 -13.727 1.00 0.00 H new ATOM 0 HB2 LEU A 128 109.411 0.157 -12.179 1.00 0.00 H new ATOM 0 HB3 LEU A 128 110.475 -1.029 -12.910 1.00 0.00 H new ATOM 0 HG LEU A 128 109.196 -0.512 -15.138 1.00 0.00 H new ATOM 0 HD11 LEU A 128 108.249 1.777 -15.229 1.00 0.00 H new ATOM 0 HD12 LEU A 128 107.352 0.759 -14.077 1.00 0.00 H new ATOM 0 HD13 LEU A 128 108.522 1.960 -13.480 1.00 0.00 H new ATOM 0 HD21 LEU A 128 110.695 1.425 -15.565 1.00 0.00 H new ATOM 0 HD22 LEU A 128 110.965 1.599 -13.815 1.00 0.00 H new ATOM 0 HD23 LEU A 128 111.545 0.147 -14.664 1.00 0.00 H new