USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=37 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 -166:sc= -4.26! (180deg=-4.08!) USER MOD Set 1.2: A 41 ASN : amide:sc= -6.08! C(o=-14!,f=-25!) USER MOD Set 1.3: A 93 TYR OH : rot 44:sc= -3.61! USER MOD Set 2.1: A 80 MET CE :methyl 144:sc= -0.613 (180deg=0) USER MOD Set 2.2: A 98 GLN : amide:sc= -4.53! C(o=-11!,f=-21!) USER MOD Set 2.3: A 100 LYS NZ :NH3+ 157:sc= -6.11! (180deg=-5.05!) USER MOD Set 3.1: A 17 GLN : amide:sc= -9.47! C(o=-16!,f=-22!) USER MOD Set 3.2: A 45 HIS : no HD1:sc= -3.41! C(o=-16!,f=-25!) USER MOD Set 3.3: A 79 THR OG1 : rot 54:sc= -3.26! USER MOD Set 4.1: A 15 HIS : no HE2:sc= -12.8! C(o=-14!,f=-14!) USER MOD Set 4.2: A 42 THR OG1 : rot 33:sc= -1.09! USER MOD Set 5.1: A 29 ASN : amide:sc= -0.0124 K(o=-0.014,f=-0.57) USER MOD Set 5.2: A 32 LYS NZ :NH3+ -163:sc=-0.00196 (180deg=-0.242) USER MOD Set 6.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -110:sc= -2.97! USER MOD Single : A 7 SER OG : rot 80:sc= -1.09 USER MOD Single : A 8 SER OG : rot -130:sc= -0.548 USER MOD Single : A 9 GLN : amide:sc= -2.28 K(o=-2.3,f=-7.6!) USER MOD Single : A 14 GLN : amide:sc= -13.5! C(o=-13!,f=-9.2!) USER MOD Single : A 19 SER OG : rot -69:sc= 0.967 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -8.68! C(o=-8.7!,f=-6.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= 0.716 (180deg=0.469) USER MOD Single : A 31 ASN : amide:sc= -5.15! C(o=-5.2!,f=-4.3!) USER MOD Single : A 33 HIS : no HD1:sc= -6.35! C(o=-6.3!,f=-7.2!) USER MOD Single : A 34 THR OG1 : rot -74:sc= 0.193! USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= 0.00527 (180deg=-0.26) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc=-0.00348 (180deg=-0.104) USER MOD Single : A 49 SER OG : rot 180:sc= -0.512 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 69:sc= 0.0512! USER MOD Single : A 56 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.24) USER MOD Single : A 57 THR OG1 : rot -143:sc= -0.24 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 0.0312 (180deg=-0.581) USER MOD Single : A 64 ASN : amide:sc= -1.19 K(o=-1.2,f=-1.7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.274 K(o=-0.27,f=-3.6!) USER MOD Single : A 70 HIS : no HD1:sc= -18.9! C(o=-19!,f=-25!) USER MOD Single : A 71 GLN : amide:sc= -2.07! K(o=-2.1!,f=-0.2) USER MOD Single : A 72 SER OG : rot -88:sc= -1.51 USER MOD Single : A 73 HIS : no HE2:sc= -0.245! C(o=-0.25!,f=-5.7!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.409 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -63:sc= -2.41 USER MOD Single : A 85 SER OG : rot 73:sc= 0.916 USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= -0.0911 (180deg=-0.717) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.619 USER MOD Single : A 90 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.14) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 141:sc= -0.192 (180deg=-1.2) USER MOD Single : A 99 ASN : amide:sc= -0.863! C(o=-0.86!,f=-7.4!) USER MOD Single : A 101 SER OG : rot 180:sc= -2.73! USER MOD Single : A 102 TYR OH : rot 150:sc= -1.06 USER MOD Single : A 107 LYS NZ :NH3+ -143:sc= -1.41 (180deg=-3.1!) USER MOD Single : A 110 GLN : amide:sc= -0.295 K(o=-0.29,f=-2.2) USER MOD Single : A 111 LYS NZ :NH3+ 168:sc= -0.911 (180deg=-1.35) USER MOD Single : A 112 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.137) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0557 X(o=-0.056,f=-0.056) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.047) USER MOD Single : A 123 HIS : no HE2:sc= -6.67! C(o=-6.7!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 85 N MET A 5 102.282 5.941 13.392 1.00 0.00 N ATOM 86 CA MET A 5 101.754 5.889 12.002 1.00 0.00 C ATOM 87 C MET A 5 102.579 6.804 11.098 1.00 0.00 C ATOM 88 O MET A 5 102.042 7.510 10.268 1.00 0.00 O ATOM 89 CB MET A 5 100.300 6.355 12.001 1.00 0.00 C ATOM 90 CG MET A 5 99.509 5.499 12.984 1.00 0.00 C ATOM 91 SD MET A 5 97.762 5.968 12.929 1.00 0.00 S ATOM 92 CE MET A 5 97.076 4.337 13.310 1.00 0.00 C ATOM 0 HA MET A 5 101.817 4.867 11.630 1.00 0.00 H new ATOM 0 HB2 MET A 5 100.240 7.406 12.283 1.00 0.00 H new ATOM 0 HB3 MET A 5 99.877 6.269 11.000 1.00 0.00 H new ATOM 0 HG2 MET A 5 99.621 4.444 12.734 1.00 0.00 H new ATOM 0 HG3 MET A 5 99.900 5.631 13.993 1.00 0.00 H new ATOM 0 HE1 MET A 5 95.988 4.395 13.328 1.00 0.00 H new ATOM 0 HE2 MET A 5 97.389 3.624 12.548 1.00 0.00 H new ATOM 0 HE3 MET A 5 97.438 4.009 14.284 1.00 0.00 H new ATOM 102 N THR A 6 103.879 6.797 11.239 1.00 0.00 N ATOM 103 CA THR A 6 104.716 7.668 10.367 1.00 0.00 C ATOM 104 C THR A 6 104.240 7.501 8.918 1.00 0.00 C ATOM 105 O THR A 6 103.514 6.583 8.608 1.00 0.00 O ATOM 106 CB THR A 6 106.199 7.284 10.513 1.00 0.00 C ATOM 107 OG1 THR A 6 106.783 8.081 11.533 1.00 0.00 O ATOM 108 CG2 THR A 6 106.951 7.530 9.204 1.00 0.00 C ATOM 0 H THR A 6 104.392 6.231 11.914 1.00 0.00 H new ATOM 0 HA THR A 6 104.614 8.713 10.660 1.00 0.00 H new ATOM 0 HB THR A 6 106.265 6.226 10.766 1.00 0.00 H new ATOM 0 HG1 THR A 6 107.410 8.719 11.131 1.00 0.00 H new ATOM 0 HG21 THR A 6 107.998 7.252 9.328 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.507 6.928 8.411 1.00 0.00 H new ATOM 0 HG23 THR A 6 106.885 8.585 8.939 1.00 0.00 H new ATOM 116 N SER A 7 104.620 8.376 8.028 1.00 0.00 N ATOM 117 CA SER A 7 104.153 8.230 6.619 1.00 0.00 C ATOM 118 C SER A 7 104.524 6.835 6.113 1.00 0.00 C ATOM 119 O SER A 7 103.673 6.051 5.745 1.00 0.00 O ATOM 120 CB SER A 7 104.816 9.290 5.741 1.00 0.00 C ATOM 121 OG SER A 7 104.068 9.433 4.541 1.00 0.00 O ATOM 0 H SER A 7 105.226 9.176 8.211 1.00 0.00 H new ATOM 0 HA SER A 7 103.072 8.361 6.576 1.00 0.00 H new ATOM 0 HB2 SER A 7 104.863 10.242 6.271 1.00 0.00 H new ATOM 0 HB3 SER A 7 105.842 9.001 5.513 1.00 0.00 H new ATOM 0 HG SER A 7 103.284 9.996 4.709 1.00 0.00 H new ATOM 127 N SER A 8 105.788 6.513 6.109 1.00 0.00 N ATOM 128 CA SER A 8 106.209 5.160 5.649 1.00 0.00 C ATOM 129 C SER A 8 105.562 4.118 6.543 1.00 0.00 C ATOM 130 O SER A 8 105.063 3.119 6.084 1.00 0.00 O ATOM 131 CB SER A 8 107.724 5.033 5.749 1.00 0.00 C ATOM 132 OG SER A 8 108.082 3.658 5.729 1.00 0.00 O ATOM 0 H SER A 8 106.547 7.128 6.404 1.00 0.00 H new ATOM 0 HA SER A 8 105.902 5.011 4.614 1.00 0.00 H new ATOM 0 HB2 SER A 8 108.200 5.557 4.920 1.00 0.00 H new ATOM 0 HB3 SER A 8 108.080 5.500 6.667 1.00 0.00 H new ATOM 0 HG SER A 8 108.690 3.468 6.473 1.00 0.00 H new ATOM 138 N GLN A 9 105.562 4.351 7.818 1.00 0.00 N ATOM 139 CA GLN A 9 104.938 3.382 8.754 1.00 0.00 C ATOM 140 C GLN A 9 103.527 3.043 8.251 1.00 0.00 C ATOM 141 O GLN A 9 103.162 1.894 8.109 1.00 0.00 O ATOM 142 CB GLN A 9 104.877 4.041 10.133 1.00 0.00 C ATOM 143 CG GLN A 9 103.824 3.373 11.011 1.00 0.00 C ATOM 144 CD GLN A 9 104.141 1.883 11.153 1.00 0.00 C ATOM 145 OE1 GLN A 9 103.747 1.086 10.325 1.00 0.00 O ATOM 146 NE2 GLN A 9 104.840 1.472 12.174 1.00 0.00 N ATOM 0 H GLN A 9 105.970 5.176 8.258 1.00 0.00 H new ATOM 0 HA GLN A 9 105.514 2.459 8.814 1.00 0.00 H new ATOM 0 HB2 GLN A 9 105.852 3.975 10.615 1.00 0.00 H new ATOM 0 HB3 GLN A 9 104.646 5.101 10.024 1.00 0.00 H new ATOM 0 HG2 GLN A 9 103.803 3.845 11.993 1.00 0.00 H new ATOM 0 HG3 GLN A 9 102.835 3.504 10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 9 105.170 2.142 12.869 1.00 0.00 H new ATOM 0 HE22 GLN A 9 105.056 0.481 12.278 1.00 0.00 H new ATOM 155 N TRP A 10 102.736 4.040 7.973 1.00 0.00 N ATOM 156 CA TRP A 10 101.357 3.788 7.474 1.00 0.00 C ATOM 157 C TRP A 10 101.437 3.034 6.146 1.00 0.00 C ATOM 158 O TRP A 10 100.596 2.219 5.820 1.00 0.00 O ATOM 159 CB TRP A 10 100.644 5.143 7.291 1.00 0.00 C ATOM 160 CG TRP A 10 99.714 5.118 6.112 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.691 6.047 5.128 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.674 4.150 5.781 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.706 5.712 4.216 1.00 0.00 N ATOM 164 CE2 TRP A 10 98.052 4.550 4.573 1.00 0.00 C ATOM 165 CE3 TRP A 10 98.214 2.977 6.401 1.00 0.00 C ATOM 166 CZ2 TRP A 10 97.013 3.809 4.006 1.00 0.00 C ATOM 167 CZ3 TRP A 10 97.171 2.232 5.830 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.576 2.648 4.638 1.00 0.00 C ATOM 0 H TRP A 10 102.987 5.024 8.071 1.00 0.00 H new ATOM 0 HA TRP A 10 100.794 3.183 8.184 1.00 0.00 H new ATOM 0 HB2 TRP A 10 100.083 5.386 8.194 1.00 0.00 H new ATOM 0 HB3 TRP A 10 101.385 5.930 7.155 1.00 0.00 H new ATOM 0 HD1 TRP A 10 100.337 6.910 5.065 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.489 6.257 3.382 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.666 2.646 7.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.552 4.134 3.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.827 1.331 6.316 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.775 2.068 4.205 1.00 0.00 H new ATOM 179 N PHE A 11 102.447 3.306 5.380 1.00 0.00 N ATOM 180 CA PHE A 11 102.587 2.625 4.063 1.00 0.00 C ATOM 181 C PHE A 11 103.189 1.232 4.227 1.00 0.00 C ATOM 182 O PHE A 11 103.197 0.452 3.304 1.00 0.00 O ATOM 183 CB PHE A 11 103.453 3.472 3.125 1.00 0.00 C ATOM 184 CG PHE A 11 102.593 3.930 1.976 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.791 5.065 2.119 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.581 3.209 0.778 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.975 5.481 1.067 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.768 3.626 -0.278 1.00 0.00 C ATOM 189 CZ PHE A 11 100.962 4.762 -0.134 1.00 0.00 C ATOM 0 H PHE A 11 103.186 3.972 5.606 1.00 0.00 H new ATOM 0 HA PHE A 11 101.594 2.513 3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.864 4.330 3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.298 2.890 2.759 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.803 5.621 3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.200 2.331 0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 11 100.354 6.357 1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.761 3.073 -1.205 1.00 0.00 H new ATOM 0 HZ PHE A 11 100.331 5.083 -0.949 1.00 0.00 H new ATOM 199 N LYS A 12 103.672 0.893 5.382 1.00 0.00 N ATOM 200 CA LYS A 12 104.225 -0.472 5.562 1.00 0.00 C ATOM 201 C LYS A 12 103.060 -1.360 5.980 1.00 0.00 C ATOM 202 O LYS A 12 102.994 -2.524 5.683 1.00 0.00 O ATOM 203 CB LYS A 12 105.354 -0.473 6.612 1.00 0.00 C ATOM 204 CG LYS A 12 104.791 -0.530 8.044 1.00 0.00 C ATOM 205 CD LYS A 12 104.695 -1.982 8.532 1.00 0.00 C ATOM 206 CE LYS A 12 104.665 -2.007 10.062 1.00 0.00 C ATOM 207 NZ LYS A 12 104.212 -3.348 10.528 1.00 0.00 N ATOM 0 H LYS A 12 103.709 1.495 6.204 1.00 0.00 H new ATOM 0 HA LYS A 12 104.673 -0.844 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 12 106.009 -1.328 6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.963 0.423 6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.431 0.043 8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.805 -0.066 8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 12 103.796 -2.452 8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.545 -2.557 8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 12 105.656 -1.788 10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 12 103.993 -1.234 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 104.191 -3.366 11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 103.259 -3.540 10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 104.869 -4.076 10.182 1.00 0.00 H new ATOM 221 N ILE A 13 102.101 -0.792 6.623 1.00 0.00 N ATOM 222 CA ILE A 13 100.912 -1.588 7.011 1.00 0.00 C ATOM 223 C ILE A 13 100.000 -1.637 5.790 1.00 0.00 C ATOM 224 O ILE A 13 99.140 -2.485 5.665 1.00 0.00 O ATOM 225 CB ILE A 13 100.199 -0.938 8.208 1.00 0.00 C ATOM 226 CG1 ILE A 13 100.207 0.592 8.056 1.00 0.00 C ATOM 227 CG2 ILE A 13 100.919 -1.337 9.503 1.00 0.00 C ATOM 228 CD1 ILE A 13 99.991 1.276 9.417 1.00 0.00 C ATOM 0 H ILE A 13 102.082 0.189 6.901 1.00 0.00 H new ATOM 0 HA ILE A 13 101.194 -2.595 7.319 1.00 0.00 H new ATOM 0 HB ILE A 13 99.165 -1.282 8.245 1.00 0.00 H new ATOM 0 HG12 ILE A 13 101.156 0.915 7.628 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.424 0.897 7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 13 100.417 -0.878 10.355 1.00 0.00 H new ATOM 0 HG22 ILE A 13 100.899 -2.421 9.611 1.00 0.00 H new ATOM 0 HG23 ILE A 13 101.953 -0.995 9.464 1.00 0.00 H new ATOM 0 HD11 ILE A 13 100.000 2.358 9.286 1.00 0.00 H new ATOM 0 HD12 ILE A 13 99.030 0.969 9.830 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.789 0.986 10.100 1.00 0.00 H new ATOM 240 N GLN A 14 100.208 -0.721 4.877 1.00 0.00 N ATOM 241 CA GLN A 14 99.392 -0.677 3.634 1.00 0.00 C ATOM 242 C GLN A 14 100.197 -1.260 2.453 1.00 0.00 C ATOM 243 O GLN A 14 99.662 -1.483 1.386 1.00 0.00 O ATOM 244 CB GLN A 14 99.015 0.797 3.351 1.00 0.00 C ATOM 245 CG GLN A 14 99.608 1.250 2.027 1.00 0.00 C ATOM 246 CD GLN A 14 99.308 2.733 1.803 1.00 0.00 C ATOM 247 OE1 GLN A 14 98.770 3.108 0.780 1.00 0.00 O ATOM 248 NE2 GLN A 14 99.634 3.599 2.722 1.00 0.00 N ATOM 0 H GLN A 14 100.920 0.006 4.945 1.00 0.00 H new ATOM 0 HA GLN A 14 98.488 -1.273 3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.930 0.904 3.327 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.380 1.434 4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.685 1.084 2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 14 99.193 0.659 1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 14 100.086 3.285 3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 14 99.437 4.590 2.582 1.00 0.00 H new ATOM 257 N HIS A 15 101.482 -1.464 2.611 1.00 0.00 N ATOM 258 CA HIS A 15 102.297 -1.968 1.461 1.00 0.00 C ATOM 259 C HIS A 15 103.501 -2.802 1.936 1.00 0.00 C ATOM 260 O HIS A 15 104.474 -2.942 1.221 1.00 0.00 O ATOM 261 CB HIS A 15 102.821 -0.749 0.685 1.00 0.00 C ATOM 262 CG HIS A 15 102.237 -0.720 -0.697 1.00 0.00 C ATOM 263 ND1 HIS A 15 102.944 -1.149 -1.810 1.00 0.00 N ATOM 264 CD2 HIS A 15 101.018 -0.302 -1.163 1.00 0.00 C ATOM 265 CE1 HIS A 15 102.151 -0.980 -2.883 1.00 0.00 C ATOM 266 NE2 HIS A 15 100.967 -0.467 -2.542 1.00 0.00 N ATOM 0 H HIS A 15 101.998 -1.306 3.477 1.00 0.00 H new ATOM 0 HA HIS A 15 101.669 -2.607 0.840 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.562 0.167 1.216 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.909 -0.787 0.627 1.00 0.00 H new ATOM 0 HD1 HIS A 15 103.892 -1.524 -1.814 1.00 0.00 H new ATOM 0 HD2 HIS A 15 100.220 0.094 -0.553 1.00 0.00 H new ATOM 0 HE1 HIS A 15 102.437 -1.228 -3.894 1.00 0.00 H new ATOM 275 N MET A 16 103.458 -3.363 3.112 1.00 0.00 N ATOM 276 CA MET A 16 104.625 -4.183 3.579 1.00 0.00 C ATOM 277 C MET A 16 104.356 -5.662 3.321 1.00 0.00 C ATOM 278 O MET A 16 103.364 -6.212 3.754 1.00 0.00 O ATOM 279 CB MET A 16 104.880 -3.973 5.084 1.00 0.00 C ATOM 280 CG MET A 16 103.889 -4.793 5.923 1.00 0.00 C ATOM 281 SD MET A 16 104.518 -6.481 6.127 1.00 0.00 S ATOM 282 CE MET A 16 105.100 -6.312 7.833 1.00 0.00 C ATOM 0 H MET A 16 102.679 -3.295 3.767 1.00 0.00 H new ATOM 0 HA MET A 16 105.507 -3.862 3.024 1.00 0.00 H new ATOM 0 HB2 MET A 16 105.901 -4.266 5.329 1.00 0.00 H new ATOM 0 HB3 MET A 16 104.784 -2.915 5.330 1.00 0.00 H new ATOM 0 HG2 MET A 16 103.748 -4.326 6.898 1.00 0.00 H new ATOM 0 HG3 MET A 16 102.914 -4.814 5.436 1.00 0.00 H new ATOM 0 HE1 MET A 16 105.533 -7.256 8.165 1.00 0.00 H new ATOM 0 HE2 MET A 16 105.856 -5.528 7.884 1.00 0.00 H new ATOM 0 HE3 MET A 16 104.262 -6.050 8.479 1.00 0.00 H new ATOM 292 N GLN A 17 105.247 -6.315 2.628 1.00 0.00 N ATOM 293 CA GLN A 17 105.062 -7.762 2.359 1.00 0.00 C ATOM 294 C GLN A 17 106.003 -8.613 3.245 1.00 0.00 C ATOM 295 O GLN A 17 105.826 -9.811 3.339 1.00 0.00 O ATOM 296 CB GLN A 17 105.335 -8.054 0.883 1.00 0.00 C ATOM 297 CG GLN A 17 104.754 -9.424 0.526 1.00 0.00 C ATOM 298 CD GLN A 17 105.590 -10.068 -0.581 1.00 0.00 C ATOM 299 OE1 GLN A 17 105.839 -9.461 -1.604 1.00 0.00 O ATOM 300 NE2 GLN A 17 106.038 -11.283 -0.420 1.00 0.00 N ATOM 0 H GLN A 17 106.095 -5.905 2.237 1.00 0.00 H new ATOM 0 HA GLN A 17 104.032 -8.027 2.598 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.887 -7.281 0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.407 -8.039 0.689 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.744 -10.066 1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.720 -9.317 0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 17 105.830 -11.794 0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.596 -11.722 -1.152 1.00 0.00 H new ATOM 309 N PRO A 18 106.991 -8.031 3.907 1.00 0.00 N ATOM 310 CA PRO A 18 107.909 -8.816 4.777 1.00 0.00 C ATOM 311 C PRO A 18 107.144 -9.828 5.637 1.00 0.00 C ATOM 312 O PRO A 18 107.678 -10.842 6.039 1.00 0.00 O ATOM 313 CB PRO A 18 108.580 -7.753 5.653 1.00 0.00 C ATOM 314 CG PRO A 18 108.571 -6.506 4.830 1.00 0.00 C ATOM 315 CD PRO A 18 107.346 -6.597 3.913 1.00 0.00 C ATOM 0 HA PRO A 18 108.622 -9.406 4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 18 108.037 -7.612 6.587 1.00 0.00 H new ATOM 0 HB3 PRO A 18 109.597 -8.044 5.916 1.00 0.00 H new ATOM 0 HG2 PRO A 18 108.515 -5.622 5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 18 109.487 -6.420 4.246 1.00 0.00 H new ATOM 0 HD2 PRO A 18 106.524 -5.987 4.288 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.575 -6.241 2.909 1.00 0.00 H new ATOM 323 N SER A 19 105.892 -9.554 5.912 1.00 0.00 N ATOM 324 CA SER A 19 105.071 -10.490 6.740 1.00 0.00 C ATOM 325 C SER A 19 103.877 -9.731 7.333 1.00 0.00 C ATOM 326 O SER A 19 103.799 -9.517 8.526 1.00 0.00 O ATOM 327 CB SER A 19 105.921 -11.067 7.878 1.00 0.00 C ATOM 328 OG SER A 19 105.086 -11.357 8.992 1.00 0.00 O ATOM 0 H SER A 19 105.401 -8.717 5.596 1.00 0.00 H new ATOM 0 HA SER A 19 104.715 -11.305 6.110 1.00 0.00 H new ATOM 0 HB2 SER A 19 106.428 -11.972 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 19 106.695 -10.355 8.165 1.00 0.00 H new ATOM 0 HG SER A 19 104.758 -10.520 9.382 1.00 0.00 H new ATOM 334 N PRO A 20 102.953 -9.327 6.501 1.00 0.00 N ATOM 335 CA PRO A 20 101.742 -8.582 6.939 1.00 0.00 C ATOM 336 C PRO A 20 100.634 -9.519 7.434 1.00 0.00 C ATOM 337 O PRO A 20 99.740 -9.107 8.141 1.00 0.00 O ATOM 338 CB PRO A 20 101.306 -7.857 5.670 1.00 0.00 C ATOM 339 CG PRO A 20 101.740 -8.744 4.545 1.00 0.00 C ATOM 340 CD PRO A 20 102.962 -9.534 5.044 1.00 0.00 C ATOM 0 HA PRO A 20 101.945 -7.917 7.778 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.227 -7.702 5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 20 101.771 -6.874 5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 20 100.936 -9.420 4.254 1.00 0.00 H new ATOM 0 HG3 PRO A 20 101.995 -8.154 3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 20 102.883 -10.591 4.791 1.00 0.00 H new ATOM 0 HD3 PRO A 20 103.885 -9.167 4.595 1.00 0.00 H new ATOM 348 N GLN A 21 100.705 -10.773 7.054 1.00 0.00 N ATOM 349 CA GLN A 21 99.684 -11.793 7.472 1.00 0.00 C ATOM 350 C GLN A 21 98.640 -11.966 6.367 1.00 0.00 C ATOM 351 O GLN A 21 97.452 -11.876 6.602 1.00 0.00 O ATOM 352 CB GLN A 21 98.981 -11.386 8.777 1.00 0.00 C ATOM 353 CG GLN A 21 100.025 -11.042 9.857 1.00 0.00 C ATOM 354 CD GLN A 21 99.945 -12.061 10.998 1.00 0.00 C ATOM 355 OE1 GLN A 21 100.179 -13.236 10.797 1.00 0.00 O ATOM 356 NE2 GLN A 21 99.622 -11.657 12.196 1.00 0.00 N ATOM 0 H GLN A 21 101.445 -11.143 6.457 1.00 0.00 H new ATOM 0 HA GLN A 21 100.206 -12.735 7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 21 98.335 -10.527 8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 21 98.342 -12.198 9.124 1.00 0.00 H new ATOM 0 HG2 GLN A 21 101.025 -11.045 9.423 1.00 0.00 H new ATOM 0 HG3 GLN A 21 99.847 -10.037 10.241 1.00 0.00 H new ATOM 0 HE21 GLN A 21 99.425 -10.671 12.366 1.00 0.00 H new ATOM 0 HE22 GLN A 21 99.566 -12.328 12.963 1.00 0.00 H new ATOM 365 N ALA A 22 99.077 -12.224 5.163 1.00 0.00 N ATOM 366 CA ALA A 22 98.118 -12.416 4.038 1.00 0.00 C ATOM 367 C ALA A 22 97.542 -11.076 3.616 1.00 0.00 C ATOM 368 O ALA A 22 97.090 -10.299 4.432 1.00 0.00 O ATOM 369 CB ALA A 22 96.962 -13.320 4.476 1.00 0.00 C ATOM 0 H ALA A 22 100.061 -12.310 4.910 1.00 0.00 H new ATOM 0 HA ALA A 22 98.653 -12.875 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 22 96.269 -13.452 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 22 97.354 -14.291 4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.439 -12.861 5.315 1.00 0.00 H new ATOM 375 N CYS A 23 97.521 -10.807 2.346 1.00 0.00 N ATOM 376 CA CYS A 23 96.933 -9.530 1.895 1.00 0.00 C ATOM 377 C CYS A 23 95.521 -9.452 2.433 1.00 0.00 C ATOM 378 O CYS A 23 95.002 -8.397 2.696 1.00 0.00 O ATOM 379 CB CYS A 23 96.875 -9.483 0.386 1.00 0.00 C ATOM 380 SG CYS A 23 98.530 -9.750 -0.290 1.00 0.00 S ATOM 0 H CYS A 23 97.883 -11.412 1.609 1.00 0.00 H new ATOM 0 HA CYS A 23 97.542 -8.700 2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.191 -10.246 0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.487 -8.519 0.056 1.00 0.00 H new ATOM 385 N ASN A 24 94.887 -10.570 2.600 1.00 0.00 N ATOM 386 CA ASN A 24 93.507 -10.536 3.138 1.00 0.00 C ATOM 387 C ASN A 24 93.521 -9.703 4.425 1.00 0.00 C ATOM 388 O ASN A 24 92.750 -8.783 4.591 1.00 0.00 O ATOM 389 CB ASN A 24 93.015 -11.962 3.443 1.00 0.00 C ATOM 390 CG ASN A 24 93.979 -12.991 2.846 1.00 0.00 C ATOM 391 OD1 ASN A 24 94.293 -13.981 3.477 1.00 0.00 O ATOM 392 ND2 ASN A 24 94.461 -12.802 1.649 1.00 0.00 N ATOM 0 H ASN A 24 95.258 -11.497 2.390 1.00 0.00 H new ATOM 0 HA ASN A 24 92.832 -10.094 2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 24 92.939 -12.106 4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 24 92.016 -12.106 3.031 1.00 0.00 H new ATOM 0 HD21 ASN A 24 95.101 -13.485 1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 24 94.198 -11.971 1.119 1.00 0.00 H new ATOM 399 N SER A 25 94.411 -10.014 5.329 1.00 0.00 N ATOM 400 CA SER A 25 94.484 -9.245 6.608 1.00 0.00 C ATOM 401 C SER A 25 95.253 -7.937 6.391 1.00 0.00 C ATOM 402 O SER A 25 94.928 -6.905 6.949 1.00 0.00 O ATOM 403 CB SER A 25 95.202 -10.086 7.665 1.00 0.00 C ATOM 404 OG SER A 25 94.908 -9.569 8.956 1.00 0.00 O ATOM 0 H SER A 25 95.092 -10.768 5.238 1.00 0.00 H new ATOM 0 HA SER A 25 93.473 -9.014 6.944 1.00 0.00 H new ATOM 0 HB2 SER A 25 94.884 -11.126 7.596 1.00 0.00 H new ATOM 0 HB3 SER A 25 96.278 -10.069 7.490 1.00 0.00 H new ATOM 0 HG SER A 25 95.365 -10.107 9.636 1.00 0.00 H new ATOM 410 N ALA A 26 96.264 -7.972 5.577 1.00 0.00 N ATOM 411 CA ALA A 26 97.052 -6.738 5.310 1.00 0.00 C ATOM 412 C ALA A 26 96.114 -5.675 4.775 1.00 0.00 C ATOM 413 O ALA A 26 96.218 -4.508 5.093 1.00 0.00 O ATOM 414 CB ALA A 26 98.110 -7.044 4.263 1.00 0.00 C ATOM 0 H ALA A 26 96.582 -8.805 5.081 1.00 0.00 H new ATOM 0 HA ALA A 26 97.532 -6.389 6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.693 -6.145 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.770 -7.829 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.627 -7.378 3.344 1.00 0.00 H new ATOM 420 N MET A 27 95.197 -6.085 3.960 1.00 0.00 N ATOM 421 CA MET A 27 94.236 -5.130 3.385 1.00 0.00 C ATOM 422 C MET A 27 93.164 -4.828 4.429 1.00 0.00 C ATOM 423 O MET A 27 92.552 -3.778 4.424 1.00 0.00 O ATOM 424 CB MET A 27 93.607 -5.741 2.135 1.00 0.00 C ATOM 425 CG MET A 27 93.198 -4.619 1.178 1.00 0.00 C ATOM 426 SD MET A 27 91.686 -3.833 1.792 1.00 0.00 S ATOM 427 CE MET A 27 91.729 -2.373 0.724 1.00 0.00 C ATOM 0 H MET A 27 95.073 -7.054 3.666 1.00 0.00 H new ATOM 0 HA MET A 27 94.738 -4.203 3.106 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.315 -6.411 1.647 1.00 0.00 H new ATOM 0 HB3 MET A 27 92.737 -6.339 2.406 1.00 0.00 H new ATOM 0 HG2 MET A 27 93.998 -3.883 1.099 1.00 0.00 H new ATOM 0 HG3 MET A 27 93.033 -5.020 0.178 1.00 0.00 H new ATOM 0 HE1 MET A 27 91.028 -1.627 1.099 1.00 0.00 H new ATOM 0 HE2 MET A 27 92.736 -1.955 0.720 1.00 0.00 H new ATOM 0 HE3 MET A 27 91.449 -2.656 -0.291 1.00 0.00 H new ATOM 437 N LYS A 28 92.937 -5.744 5.334 1.00 0.00 N ATOM 438 CA LYS A 28 91.907 -5.504 6.386 1.00 0.00 C ATOM 439 C LYS A 28 92.298 -4.280 7.215 1.00 0.00 C ATOM 440 O LYS A 28 91.453 -3.556 7.699 1.00 0.00 O ATOM 441 CB LYS A 28 91.802 -6.721 7.309 1.00 0.00 C ATOM 442 CG LYS A 28 91.015 -7.840 6.617 1.00 0.00 C ATOM 443 CD LYS A 28 89.540 -7.439 6.444 1.00 0.00 C ATOM 444 CE LYS A 28 89.208 -7.345 4.949 1.00 0.00 C ATOM 445 NZ LYS A 28 87.753 -7.073 4.778 1.00 0.00 N ATOM 0 H LYS A 28 93.417 -6.642 5.390 1.00 0.00 H new ATOM 0 HA LYS A 28 90.944 -5.334 5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.799 -7.075 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 28 91.308 -6.440 8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.456 -8.053 5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.082 -8.756 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 28 88.894 -8.173 6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.353 -6.481 6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 28 89.794 -6.552 4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.476 -8.275 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.587 -6.648 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.222 -7.964 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 87.433 -6.416 5.518 1.00 0.00 H new ATOM 459 N ASN A 29 93.568 -4.033 7.384 1.00 0.00 N ATOM 460 CA ASN A 29 93.975 -2.840 8.185 1.00 0.00 C ATOM 461 C ASN A 29 93.685 -1.581 7.366 1.00 0.00 C ATOM 462 O ASN A 29 93.511 -0.491 7.884 1.00 0.00 O ATOM 463 CB ASN A 29 95.472 -2.919 8.494 1.00 0.00 C ATOM 464 CG ASN A 29 95.858 -1.790 9.450 1.00 0.00 C ATOM 465 OD1 ASN A 29 96.072 -0.669 9.031 1.00 0.00 O ATOM 466 ND2 ASN A 29 95.957 -2.038 10.728 1.00 0.00 N ATOM 0 H ASN A 29 94.332 -4.595 7.009 1.00 0.00 H new ATOM 0 HA ASN A 29 93.419 -2.811 9.122 1.00 0.00 H new ATOM 0 HB2 ASN A 29 95.711 -3.884 8.940 1.00 0.00 H new ATOM 0 HB3 ASN A 29 96.049 -2.842 7.572 1.00 0.00 H new ATOM 0 HD21 ASN A 29 96.214 -1.292 11.374 1.00 0.00 H new ATOM 0 HD22 ASN A 29 95.778 -2.978 11.080 1.00 0.00 H new ATOM 473 N ILE A 30 93.635 -1.737 6.081 1.00 0.00 N ATOM 474 CA ILE A 30 93.371 -0.583 5.185 1.00 0.00 C ATOM 475 C ILE A 30 91.868 -0.320 5.135 1.00 0.00 C ATOM 476 O ILE A 30 91.426 0.808 5.051 1.00 0.00 O ATOM 477 CB ILE A 30 93.900 -0.934 3.789 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.107 -1.870 3.948 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.314 0.332 3.019 1.00 0.00 C ATOM 480 CD1 ILE A 30 96.164 -1.233 4.852 1.00 0.00 C ATOM 0 H ILE A 30 93.768 -2.628 5.603 1.00 0.00 H new ATOM 0 HA ILE A 30 93.868 0.315 5.551 1.00 0.00 H new ATOM 0 HB ILE A 30 93.111 -1.425 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 30 94.784 -2.821 4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.538 -2.086 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.685 0.053 2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.452 0.990 2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 30 95.099 0.852 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 30 97.012 -1.910 4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 30 96.500 -0.294 4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 30 95.734 -1.040 5.835 1.00 0.00 H new ATOM 492 N ASN A 31 91.078 -1.354 5.204 1.00 0.00 N ATOM 493 CA ASN A 31 89.604 -1.166 5.176 1.00 0.00 C ATOM 494 C ASN A 31 89.162 -0.575 6.513 1.00 0.00 C ATOM 495 O ASN A 31 88.078 -0.041 6.642 1.00 0.00 O ATOM 496 CB ASN A 31 88.920 -2.522 4.936 1.00 0.00 C ATOM 497 CG ASN A 31 88.397 -3.103 6.255 1.00 0.00 C ATOM 498 OD1 ASN A 31 87.275 -3.563 6.326 1.00 0.00 O ATOM 499 ND2 ASN A 31 89.167 -3.102 7.308 1.00 0.00 N ATOM 0 H ASN A 31 91.391 -2.322 5.279 1.00 0.00 H new ATOM 0 HA ASN A 31 89.323 -0.488 4.370 1.00 0.00 H new ATOM 0 HB2 ASN A 31 88.095 -2.400 4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 31 89.626 -3.216 4.481 1.00 0.00 H new ATOM 0 HD21 ASN A 31 88.827 -3.487 8.189 1.00 0.00 H new ATOM 0 HD22 ASN A 31 90.109 -2.716 7.250 1.00 0.00 H new ATOM 506 N LYS A 32 89.997 -0.657 7.511 1.00 0.00 N ATOM 507 CA LYS A 32 89.618 -0.093 8.832 1.00 0.00 C ATOM 508 C LYS A 32 89.980 1.391 8.857 1.00 0.00 C ATOM 509 O LYS A 32 89.278 2.199 9.432 1.00 0.00 O ATOM 510 CB LYS A 32 90.333 -0.866 9.958 1.00 0.00 C ATOM 511 CG LYS A 32 91.739 -0.302 10.223 1.00 0.00 C ATOM 512 CD LYS A 32 91.690 0.695 11.386 1.00 0.00 C ATOM 513 CE LYS A 32 92.974 1.528 11.401 1.00 0.00 C ATOM 514 NZ LYS A 32 94.149 0.627 11.570 1.00 0.00 N ATOM 0 H LYS A 32 90.920 -1.088 7.468 1.00 0.00 H new ATOM 0 HA LYS A 32 88.545 -0.194 8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.740 -0.812 10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.407 -1.919 9.688 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.428 -1.114 10.457 1.00 0.00 H new ATOM 0 HG3 LYS A 32 92.118 0.189 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 32 90.823 1.347 11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.579 0.163 12.331 1.00 0.00 H new ATOM 0 HE2 LYS A 32 93.065 2.092 10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 32 92.939 2.254 12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.975 1.185 11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.937 -0.088 12.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 94.357 0.154 10.667 1.00 0.00 H new ATOM 528 N HIS A 33 91.068 1.765 8.232 1.00 0.00 N ATOM 529 CA HIS A 33 91.449 3.205 8.227 1.00 0.00 C ATOM 530 C HIS A 33 90.782 3.912 7.037 1.00 0.00 C ATOM 531 O HIS A 33 90.701 5.124 6.995 1.00 0.00 O ATOM 532 CB HIS A 33 92.981 3.324 8.157 1.00 0.00 C ATOM 533 CG HIS A 33 93.401 4.032 6.899 1.00 0.00 C ATOM 534 ND1 HIS A 33 93.463 5.416 6.809 1.00 0.00 N ATOM 535 CD2 HIS A 33 93.793 3.557 5.676 1.00 0.00 C ATOM 536 CE1 HIS A 33 93.880 5.722 5.566 1.00 0.00 C ATOM 537 NE2 HIS A 33 94.095 4.624 4.838 1.00 0.00 N ATOM 0 H HIS A 33 91.701 1.141 7.731 1.00 0.00 H new ATOM 0 HA HIS A 33 91.106 3.686 9.143 1.00 0.00 H new ATOM 0 HB2 HIS A 33 93.349 3.868 9.027 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.430 2.331 8.189 1.00 0.00 H new ATOM 0 HD2 HIS A 33 93.858 2.514 5.404 1.00 0.00 H new ATOM 0 HE1 HIS A 33 94.023 6.729 5.203 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.414 4.578 3.870 1.00 0.00 H new ATOM 546 N THR A 34 90.288 3.167 6.078 1.00 0.00 N ATOM 547 CA THR A 34 89.611 3.802 4.903 1.00 0.00 C ATOM 548 C THR A 34 88.108 3.537 4.985 1.00 0.00 C ATOM 549 O THR A 34 87.332 4.074 4.220 1.00 0.00 O ATOM 550 CB THR A 34 90.139 3.201 3.595 1.00 0.00 C ATOM 551 OG1 THR A 34 89.923 1.798 3.601 1.00 0.00 O ATOM 552 CG2 THR A 34 91.634 3.489 3.447 1.00 0.00 C ATOM 0 H THR A 34 90.324 2.148 6.058 1.00 0.00 H new ATOM 0 HA THR A 34 89.813 4.873 4.919 1.00 0.00 H new ATOM 0 HB THR A 34 89.609 3.651 2.756 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.558 1.372 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 34 91.997 3.057 2.514 1.00 0.00 H new ATOM 0 HG22 THR A 34 91.798 4.567 3.436 1.00 0.00 H new ATOM 0 HG23 THR A 34 92.174 3.049 4.285 1.00 0.00 H new ATOM 560 N LYS A 35 87.691 2.706 5.899 1.00 0.00 N ATOM 561 CA LYS A 35 86.236 2.403 6.013 1.00 0.00 C ATOM 562 C LYS A 35 85.726 1.881 4.665 1.00 0.00 C ATOM 563 O LYS A 35 84.563 2.007 4.337 1.00 0.00 O ATOM 564 CB LYS A 35 85.475 3.676 6.391 1.00 0.00 C ATOM 565 CG LYS A 35 86.232 4.417 7.496 1.00 0.00 C ATOM 566 CD LYS A 35 86.416 3.492 8.701 1.00 0.00 C ATOM 567 CE LYS A 35 86.806 4.321 9.927 1.00 0.00 C ATOM 568 NZ LYS A 35 88.046 5.092 9.630 1.00 0.00 N ATOM 0 H LYS A 35 88.291 2.225 6.569 1.00 0.00 H new ATOM 0 HA LYS A 35 86.077 1.648 6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.365 4.319 5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.470 3.424 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 35 87.203 4.748 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.682 5.311 7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.494 2.945 8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 35 87.187 2.751 8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 35 85.997 5.001 10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 35 86.967 3.668 10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 88.453 5.450 10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 88.735 4.473 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 87.816 5.893 9.007 1.00 0.00 H new ATOM 582 N ARG A 36 86.595 1.299 3.883 1.00 0.00 N ATOM 583 CA ARG A 36 86.181 0.768 2.552 1.00 0.00 C ATOM 584 C ARG A 36 87.298 -0.128 2.010 1.00 0.00 C ATOM 585 O ARG A 36 88.455 0.066 2.321 1.00 0.00 O ATOM 586 CB ARG A 36 85.947 1.939 1.591 1.00 0.00 C ATOM 587 CG ARG A 36 86.185 1.489 0.143 1.00 0.00 C ATOM 588 CD ARG A 36 85.099 0.503 -0.297 1.00 0.00 C ATOM 589 NE ARG A 36 84.360 1.069 -1.461 1.00 0.00 N ATOM 590 CZ ARG A 36 83.323 0.441 -1.943 1.00 0.00 C ATOM 591 NH1 ARG A 36 82.933 -0.683 -1.406 1.00 0.00 N ATOM 592 NH2 ARG A 36 82.676 0.936 -2.963 1.00 0.00 N ATOM 0 H ARG A 36 87.581 1.168 4.111 1.00 0.00 H new ATOM 0 HA ARG A 36 85.261 0.192 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 36 84.929 2.312 1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.617 2.762 1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.187 2.356 -0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 36 87.166 1.021 0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.548 -0.453 -0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 36 84.411 0.311 0.526 1.00 0.00 H new ATOM 0 HE ARG A 36 84.665 1.947 -1.881 1.00 0.00 H new ATOM 0 HH11 ARG A 36 83.439 -1.070 -0.610 1.00 0.00 H new ATOM 0 HH12 ARG A 36 82.122 -1.174 -1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 36 82.981 1.814 -3.383 1.00 0.00 H new ATOM 0 HH22 ARG A 36 81.865 0.445 -3.340 1.00 0.00 H new ATOM 606 N CYS A 37 86.978 -1.100 1.190 1.00 0.00 N ATOM 607 CA CYS A 37 88.050 -1.969 0.641 1.00 0.00 C ATOM 608 C CYS A 37 88.544 -1.401 -0.690 1.00 0.00 C ATOM 609 O CYS A 37 87.951 -1.611 -1.729 1.00 0.00 O ATOM 610 CB CYS A 37 87.510 -3.380 0.438 1.00 0.00 C ATOM 611 SG CYS A 37 87.908 -4.371 1.901 1.00 0.00 S ATOM 0 H CYS A 37 86.031 -1.323 0.884 1.00 0.00 H new ATOM 0 HA CYS A 37 88.883 -2.003 1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.432 -3.353 0.282 1.00 0.00 H new ATOM 0 HB3 CYS A 37 87.950 -3.828 -0.453 1.00 0.00 H new ATOM 616 N LYS A 38 89.627 -0.676 -0.644 1.00 0.00 N ATOM 617 CA LYS A 38 90.215 -0.063 -1.874 1.00 0.00 C ATOM 618 C LYS A 38 90.013 -0.966 -3.099 1.00 0.00 C ATOM 619 O LYS A 38 90.116 -0.512 -4.221 1.00 0.00 O ATOM 620 CB LYS A 38 91.718 0.150 -1.653 1.00 0.00 C ATOM 621 CG LYS A 38 91.937 1.190 -0.545 1.00 0.00 C ATOM 622 CD LYS A 38 91.928 2.604 -1.143 1.00 0.00 C ATOM 623 CE LYS A 38 93.334 2.970 -1.627 1.00 0.00 C ATOM 624 NZ LYS A 38 94.181 3.341 -0.458 1.00 0.00 N ATOM 0 H LYS A 38 90.143 -0.477 0.213 1.00 0.00 H new ATOM 0 HA LYS A 38 89.713 0.886 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.192 -0.792 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.187 0.486 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.155 1.100 0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 38 92.887 1.004 -0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 38 91.223 2.654 -1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 38 91.592 3.323 -0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 38 93.778 2.128 -2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 38 93.283 3.801 -2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 95.030 3.841 -0.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 93.641 3.960 0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 94.464 2.480 0.053 1.00 0.00 H new ATOM 638 N ASP A 39 89.732 -2.234 -2.907 1.00 0.00 N ATOM 639 CA ASP A 39 89.530 -3.144 -4.073 1.00 0.00 C ATOM 640 C ASP A 39 90.888 -3.628 -4.589 1.00 0.00 C ATOM 641 O ASP A 39 90.998 -4.691 -5.162 1.00 0.00 O ATOM 642 CB ASP A 39 88.782 -2.412 -5.198 1.00 0.00 C ATOM 643 CG ASP A 39 87.924 -3.409 -5.981 1.00 0.00 C ATOM 644 OD1 ASP A 39 88.483 -4.142 -6.780 1.00 0.00 O ATOM 645 OD2 ASP A 39 86.723 -3.423 -5.767 1.00 0.00 O ATOM 0 H ASP A 39 89.635 -2.675 -1.992 1.00 0.00 H new ATOM 0 HA ASP A 39 88.935 -3.999 -3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 39 88.153 -1.627 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 39 89.494 -1.927 -5.866 1.00 0.00 H new ATOM 650 N LEU A 40 91.925 -2.857 -4.394 1.00 0.00 N ATOM 651 CA LEU A 40 93.269 -3.285 -4.880 1.00 0.00 C ATOM 652 C LEU A 40 94.353 -2.720 -3.953 1.00 0.00 C ATOM 653 O LEU A 40 94.303 -1.577 -3.546 1.00 0.00 O ATOM 654 CB LEU A 40 93.483 -2.759 -6.314 1.00 0.00 C ATOM 655 CG LEU A 40 93.836 -3.901 -7.283 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.136 -4.599 -6.853 1.00 0.00 C ATOM 657 CD2 LEU A 40 92.686 -4.913 -7.330 1.00 0.00 C ATOM 0 H LEU A 40 91.900 -1.953 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 40 93.330 -4.373 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 40 92.580 -2.255 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.282 -2.018 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 40 93.987 -3.480 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 40 95.366 -5.403 -7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 40 95.952 -3.877 -6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.013 -5.013 -5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 40 92.940 -5.720 -8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 40 92.521 -5.323 -6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 40 91.778 -4.416 -7.673 1.00 0.00 H new ATOM 669 N ASN A 41 95.333 -3.517 -3.624 1.00 0.00 N ATOM 670 CA ASN A 41 96.427 -3.040 -2.730 1.00 0.00 C ATOM 671 C ASN A 41 97.711 -3.801 -3.062 1.00 0.00 C ATOM 672 O ASN A 41 97.727 -5.014 -3.111 1.00 0.00 O ATOM 673 CB ASN A 41 96.045 -3.293 -1.272 1.00 0.00 C ATOM 674 CG ASN A 41 94.836 -2.431 -0.907 1.00 0.00 C ATOM 675 OD1 ASN A 41 93.749 -2.647 -1.405 1.00 0.00 O ATOM 676 ND2 ASN A 41 94.980 -1.456 -0.052 1.00 0.00 N ATOM 0 H ASN A 41 95.423 -4.483 -3.938 1.00 0.00 H new ATOM 0 HA ASN A 41 96.583 -1.972 -2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 41 95.812 -4.347 -1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 41 96.885 -3.057 -0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 41 94.180 -0.875 0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 41 95.893 -1.275 0.366 1.00 0.00 H new ATOM 683 N THR A 42 98.785 -3.100 -3.297 1.00 0.00 N ATOM 684 CA THR A 42 100.069 -3.783 -3.633 1.00 0.00 C ATOM 685 C THR A 42 101.015 -3.715 -2.436 1.00 0.00 C ATOM 686 O THR A 42 100.941 -2.822 -1.617 1.00 0.00 O ATOM 687 CB THR A 42 100.723 -3.093 -4.839 1.00 0.00 C ATOM 688 OG1 THR A 42 100.334 -1.727 -4.866 1.00 0.00 O ATOM 689 CG2 THR A 42 100.284 -3.774 -6.139 1.00 0.00 C ATOM 0 H THR A 42 98.831 -2.081 -3.271 1.00 0.00 H new ATOM 0 HA THR A 42 99.866 -4.826 -3.878 1.00 0.00 H new ATOM 0 HB THR A 42 101.807 -3.167 -4.749 1.00 0.00 H new ATOM 0 HG1 THR A 42 100.209 -1.404 -3.949 1.00 0.00 H new ATOM 0 HG21 THR A 42 100.754 -3.276 -6.987 1.00 0.00 H new ATOM 0 HG22 THR A 42 100.585 -4.821 -6.121 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.200 -3.710 -6.235 1.00 0.00 H new ATOM 697 N PHE A 43 101.904 -4.660 -2.335 1.00 0.00 N ATOM 698 CA PHE A 43 102.875 -4.671 -1.205 1.00 0.00 C ATOM 699 C PHE A 43 104.260 -5.017 -1.768 1.00 0.00 C ATOM 700 O PHE A 43 104.371 -5.586 -2.832 1.00 0.00 O ATOM 701 CB PHE A 43 102.442 -5.718 -0.168 1.00 0.00 C ATOM 702 CG PHE A 43 101.104 -5.327 0.436 1.00 0.00 C ATOM 703 CD1 PHE A 43 99.933 -5.411 -0.329 1.00 0.00 C ATOM 704 CD2 PHE A 43 101.035 -4.883 1.766 1.00 0.00 C ATOM 705 CE1 PHE A 43 98.700 -5.050 0.233 1.00 0.00 C ATOM 706 CE2 PHE A 43 99.800 -4.522 2.325 1.00 0.00 C ATOM 707 CZ PHE A 43 98.635 -4.606 1.557 1.00 0.00 C ATOM 0 H PHE A 43 102.002 -5.434 -2.993 1.00 0.00 H new ATOM 0 HA PHE A 43 102.909 -3.697 -0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.366 -6.698 -0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.195 -5.799 0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 43 99.980 -5.754 -1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 43 101.935 -4.819 2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 43 97.799 -5.115 -0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 43 99.749 -4.179 3.348 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.684 -4.328 1.987 1.00 0.00 H new ATOM 717 N LEU A 44 105.314 -4.679 -1.069 1.00 0.00 N ATOM 718 CA LEU A 44 106.691 -4.990 -1.571 1.00 0.00 C ATOM 719 C LEU A 44 107.378 -5.904 -0.548 1.00 0.00 C ATOM 720 O LEU A 44 107.051 -5.869 0.621 1.00 0.00 O ATOM 721 CB LEU A 44 107.484 -3.682 -1.763 1.00 0.00 C ATOM 722 CG LEU A 44 106.720 -2.748 -2.715 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.527 -1.465 -2.964 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.496 -3.458 -4.048 1.00 0.00 C ATOM 0 H LEU A 44 105.282 -4.200 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 44 106.644 -5.496 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.635 -3.192 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.472 -3.901 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 44 105.764 -2.489 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 44 106.974 -0.813 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.693 -0.950 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.488 -1.720 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 44 105.954 -2.798 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.459 -3.718 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 44 105.915 -4.365 -3.884 1.00 0.00 H new ATOM 736 N HIS A 45 108.307 -6.741 -0.963 1.00 0.00 N ATOM 737 CA HIS A 45 108.960 -7.663 0.031 1.00 0.00 C ATOM 738 C HIS A 45 110.407 -7.262 0.276 1.00 0.00 C ATOM 739 O HIS A 45 111.333 -7.966 -0.076 1.00 0.00 O ATOM 740 CB HIS A 45 108.914 -9.111 -0.469 1.00 0.00 C ATOM 741 CG HIS A 45 108.953 -10.052 0.705 1.00 0.00 C ATOM 742 ND1 HIS A 45 107.809 -10.411 1.405 1.00 0.00 N ATOM 743 CD2 HIS A 45 109.990 -10.717 1.314 1.00 0.00 C ATOM 744 CE1 HIS A 45 108.181 -11.256 2.385 1.00 0.00 C ATOM 745 NE2 HIS A 45 109.498 -11.473 2.371 1.00 0.00 N ATOM 0 H HIS A 45 108.636 -6.826 -1.925 1.00 0.00 H new ATOM 0 HA HIS A 45 108.408 -7.585 0.967 1.00 0.00 H new ATOM 0 HB2 HIS A 45 108.007 -9.277 -1.051 1.00 0.00 H new ATOM 0 HB3 HIS A 45 109.758 -9.305 -1.131 1.00 0.00 H new ATOM 0 HD2 HIS A 45 111.027 -10.661 1.017 1.00 0.00 H new ATOM 0 HE1 HIS A 45 107.499 -11.702 3.094 1.00 0.00 H new ATOM 0 HE2 HIS A 45 110.032 -12.069 3.004 1.00 0.00 H new ATOM 754 N GLU A 46 110.604 -6.148 0.902 1.00 0.00 N ATOM 755 CA GLU A 46 111.980 -5.699 1.207 1.00 0.00 C ATOM 756 C GLU A 46 111.916 -4.872 2.500 1.00 0.00 C ATOM 757 O GLU A 46 111.082 -4.005 2.629 1.00 0.00 O ATOM 758 CB GLU A 46 112.493 -4.855 0.035 1.00 0.00 C ATOM 759 CG GLU A 46 113.950 -4.456 0.276 1.00 0.00 C ATOM 760 CD GLU A 46 114.873 -5.610 -0.123 1.00 0.00 C ATOM 761 OE1 GLU A 46 114.817 -6.641 0.527 1.00 0.00 O ATOM 762 OE2 GLU A 46 115.621 -5.443 -1.073 1.00 0.00 O ATOM 0 H GLU A 46 109.864 -5.522 1.219 1.00 0.00 H new ATOM 0 HA GLU A 46 112.661 -6.539 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.411 -5.419 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 46 111.877 -3.963 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.194 -3.565 -0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.099 -4.204 1.326 1.00 0.00 H new ATOM 769 N PRO A 47 112.756 -5.144 3.471 1.00 0.00 N ATOM 770 CA PRO A 47 112.730 -4.390 4.757 1.00 0.00 C ATOM 771 C PRO A 47 112.763 -2.875 4.541 1.00 0.00 C ATOM 772 O PRO A 47 113.611 -2.356 3.844 1.00 0.00 O ATOM 773 CB PRO A 47 113.989 -4.844 5.492 1.00 0.00 C ATOM 774 CG PRO A 47 114.350 -6.169 4.899 1.00 0.00 C ATOM 775 CD PRO A 47 113.800 -6.185 3.468 1.00 0.00 C ATOM 0 HA PRO A 47 111.813 -4.588 5.312 1.00 0.00 H new ATOM 0 HB2 PRO A 47 114.798 -4.125 5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 47 113.807 -4.931 6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 47 115.431 -6.309 4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 47 113.923 -6.983 5.485 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.580 -5.965 2.739 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.389 -7.161 3.210 1.00 0.00 H new ATOM 783 N PHE A 48 111.845 -2.169 5.140 1.00 0.00 N ATOM 784 CA PHE A 48 111.805 -0.684 4.991 1.00 0.00 C ATOM 785 C PHE A 48 113.215 -0.119 5.072 1.00 0.00 C ATOM 786 O PHE A 48 113.468 0.975 4.642 1.00 0.00 O ATOM 787 CB PHE A 48 110.932 -0.097 6.094 1.00 0.00 C ATOM 788 CG PHE A 48 109.861 -1.113 6.423 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.207 -1.789 5.383 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.537 -1.399 7.754 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.231 -2.744 5.673 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.559 -2.361 8.044 1.00 0.00 C ATOM 793 CZ PHE A 48 107.907 -3.032 7.002 1.00 0.00 C ATOM 0 H PHE A 48 111.113 -2.560 5.733 1.00 0.00 H new ATOM 0 HA PHE A 48 111.383 -0.421 4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.531 0.127 6.977 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.482 0.841 5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.459 -1.570 4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 48 110.039 -0.880 8.557 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.726 -3.261 4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 48 108.309 -2.584 9.071 1.00 0.00 H new ATOM 0 HZ PHE A 48 107.153 -3.773 7.225 1.00 0.00 H new ATOM 803 N SER A 49 114.136 -0.859 5.612 1.00 0.00 N ATOM 804 CA SER A 49 115.532 -0.361 5.695 1.00 0.00 C ATOM 805 C SER A 49 116.176 -0.495 4.315 1.00 0.00 C ATOM 806 O SER A 49 116.933 0.355 3.883 1.00 0.00 O ATOM 807 CB SER A 49 116.312 -1.197 6.710 1.00 0.00 C ATOM 808 OG SER A 49 115.826 -2.532 6.691 1.00 0.00 O ATOM 0 H SER A 49 113.982 -1.790 6.001 1.00 0.00 H new ATOM 0 HA SER A 49 115.542 0.682 6.012 1.00 0.00 H new ATOM 0 HB2 SER A 49 117.375 -1.181 6.471 1.00 0.00 H new ATOM 0 HB3 SER A 49 116.204 -0.772 7.708 1.00 0.00 H new ATOM 0 HG SER A 49 116.325 -3.071 7.339 1.00 0.00 H new ATOM 814 N SER A 50 115.863 -1.548 3.606 1.00 0.00 N ATOM 815 CA SER A 50 116.441 -1.724 2.249 1.00 0.00 C ATOM 816 C SER A 50 115.551 -0.976 1.262 1.00 0.00 C ATOM 817 O SER A 50 116.021 -0.384 0.314 1.00 0.00 O ATOM 818 CB SER A 50 116.506 -3.213 1.900 1.00 0.00 C ATOM 819 OG SER A 50 117.842 -3.671 2.060 1.00 0.00 O ATOM 0 H SER A 50 115.233 -2.290 3.911 1.00 0.00 H new ATOM 0 HA SER A 50 117.455 -1.327 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 50 115.835 -3.780 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 50 116.174 -3.374 0.874 1.00 0.00 H new ATOM 0 HG SER A 50 117.889 -4.625 1.839 1.00 0.00 H new ATOM 825 N VAL A 51 114.267 -0.960 1.508 1.00 0.00 N ATOM 826 CA VAL A 51 113.352 -0.201 0.609 1.00 0.00 C ATOM 827 C VAL A 51 113.638 1.271 0.864 1.00 0.00 C ATOM 828 O VAL A 51 113.579 2.105 -0.016 1.00 0.00 O ATOM 829 CB VAL A 51 111.887 -0.503 0.957 1.00 0.00 C ATOM 830 CG1 VAL A 51 111.030 -0.443 -0.310 1.00 0.00 C ATOM 831 CG2 VAL A 51 111.781 -1.899 1.570 1.00 0.00 C ATOM 0 H VAL A 51 113.816 -1.437 2.288 1.00 0.00 H new ATOM 0 HA VAL A 51 113.511 -0.475 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 51 111.531 0.239 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 51 109.992 -0.658 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 51 111.098 0.553 -0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.389 -1.181 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.740 -2.110 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.142 -2.639 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.385 -1.945 2.476 1.00 0.00 H new ATOM 841 N ALA A 52 113.972 1.574 2.089 1.00 0.00 N ATOM 842 CA ALA A 52 114.300 2.967 2.464 1.00 0.00 C ATOM 843 C ALA A 52 115.444 3.429 1.567 1.00 0.00 C ATOM 844 O ALA A 52 115.344 4.414 0.863 1.00 0.00 O ATOM 845 CB ALA A 52 114.747 3.006 3.928 1.00 0.00 C ATOM 0 H ALA A 52 114.031 0.901 2.853 1.00 0.00 H new ATOM 0 HA ALA A 52 113.432 3.616 2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 52 114.989 4.031 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 52 113.942 2.637 4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.628 2.377 4.056 1.00 0.00 H new ATOM 851 N ALA A 53 116.530 2.699 1.573 1.00 0.00 N ATOM 852 CA ALA A 53 117.679 3.069 0.705 1.00 0.00 C ATOM 853 C ALA A 53 117.249 2.930 -0.753 1.00 0.00 C ATOM 854 O ALA A 53 117.677 3.676 -1.610 1.00 0.00 O ATOM 855 CB ALA A 53 118.859 2.136 0.985 1.00 0.00 C ATOM 0 H ALA A 53 116.667 1.864 2.142 1.00 0.00 H new ATOM 0 HA ALA A 53 117.985 4.095 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.699 2.410 0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.153 2.225 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.566 1.107 0.777 1.00 0.00 H new ATOM 861 N THR A 54 116.387 1.990 -1.039 1.00 0.00 N ATOM 862 CA THR A 54 115.915 1.826 -2.439 1.00 0.00 C ATOM 863 C THR A 54 115.250 3.127 -2.864 1.00 0.00 C ATOM 864 O THR A 54 115.288 3.512 -4.015 1.00 0.00 O ATOM 865 CB THR A 54 114.892 0.682 -2.526 1.00 0.00 C ATOM 866 OG1 THR A 54 115.419 -0.476 -1.897 1.00 0.00 O ATOM 867 CG2 THR A 54 114.587 0.368 -3.993 1.00 0.00 C ATOM 0 H THR A 54 115.993 1.333 -0.365 1.00 0.00 H new ATOM 0 HA THR A 54 116.757 1.589 -3.089 1.00 0.00 H new ATOM 0 HB THR A 54 113.974 0.985 -2.023 1.00 0.00 H new ATOM 0 HG1 THR A 54 115.477 -0.325 -0.930 1.00 0.00 H new ATOM 0 HG21 THR A 54 113.861 -0.444 -4.048 1.00 0.00 H new ATOM 0 HG22 THR A 54 114.177 1.254 -4.477 1.00 0.00 H new ATOM 0 HG23 THR A 54 115.505 0.069 -4.500 1.00 0.00 H new ATOM 875 N CYS A 55 114.641 3.819 -1.938 1.00 0.00 N ATOM 876 CA CYS A 55 113.978 5.089 -2.306 1.00 0.00 C ATOM 877 C CYS A 55 115.033 6.183 -2.472 1.00 0.00 C ATOM 878 O CYS A 55 114.743 7.359 -2.379 1.00 0.00 O ATOM 879 CB CYS A 55 112.969 5.483 -1.228 1.00 0.00 C ATOM 880 SG CYS A 55 111.645 6.455 -1.986 1.00 0.00 S ATOM 0 H CYS A 55 114.578 3.558 -0.954 1.00 0.00 H new ATOM 0 HA CYS A 55 113.445 4.961 -3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.558 4.592 -0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.460 6.062 -0.446 1.00 0.00 H new ATOM 885 N GLN A 56 116.261 5.798 -2.711 1.00 0.00 N ATOM 886 CA GLN A 56 117.350 6.805 -2.878 1.00 0.00 C ATOM 887 C GLN A 56 117.893 6.761 -4.313 1.00 0.00 C ATOM 888 O GLN A 56 118.643 7.625 -4.721 1.00 0.00 O ATOM 889 CB GLN A 56 118.483 6.488 -1.896 1.00 0.00 C ATOM 890 CG GLN A 56 119.357 7.729 -1.699 1.00 0.00 C ATOM 891 CD GLN A 56 118.592 8.769 -0.879 1.00 0.00 C ATOM 892 OE1 GLN A 56 118.593 8.722 0.336 1.00 0.00 O ATOM 893 NE2 GLN A 56 117.934 9.712 -1.495 1.00 0.00 N ATOM 0 H GLN A 56 116.556 4.826 -2.798 1.00 0.00 H new ATOM 0 HA GLN A 56 116.953 7.800 -2.679 1.00 0.00 H new ATOM 0 HB2 GLN A 56 118.069 6.167 -0.940 1.00 0.00 H new ATOM 0 HB3 GLN A 56 119.086 5.663 -2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 56 120.282 7.458 -1.190 1.00 0.00 H new ATOM 0 HG3 GLN A 56 119.636 8.147 -2.666 1.00 0.00 H new ATOM 0 HE21 GLN A 56 117.933 9.751 -2.514 1.00 0.00 H new ATOM 0 HE22 GLN A 56 117.420 10.410 -0.957 1.00 0.00 H new ATOM 902 N THR A 57 117.531 5.769 -5.085 1.00 0.00 N ATOM 903 CA THR A 57 118.052 5.705 -6.488 1.00 0.00 C ATOM 904 C THR A 57 117.466 6.865 -7.299 1.00 0.00 C ATOM 905 O THR A 57 116.478 7.458 -6.919 1.00 0.00 O ATOM 906 CB THR A 57 117.662 4.368 -7.142 1.00 0.00 C ATOM 907 OG1 THR A 57 117.034 4.613 -8.394 1.00 0.00 O ATOM 908 CG2 THR A 57 116.697 3.607 -6.236 1.00 0.00 C ATOM 0 H THR A 57 116.907 5.010 -4.813 1.00 0.00 H new ATOM 0 HA THR A 57 119.139 5.781 -6.468 1.00 0.00 H new ATOM 0 HB THR A 57 118.562 3.772 -7.293 1.00 0.00 H new ATOM 0 HG1 THR A 57 116.314 3.963 -8.531 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.426 2.662 -6.706 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.176 3.411 -5.277 1.00 0.00 H new ATOM 0 HG23 THR A 57 115.799 4.204 -6.077 1.00 0.00 H new ATOM 916 N PRO A 58 118.069 7.184 -8.414 1.00 0.00 N ATOM 917 CA PRO A 58 117.599 8.286 -9.294 1.00 0.00 C ATOM 918 C PRO A 58 116.071 8.380 -9.318 1.00 0.00 C ATOM 919 O PRO A 58 115.389 7.440 -9.675 1.00 0.00 O ATOM 920 CB PRO A 58 118.149 7.886 -10.662 1.00 0.00 C ATOM 921 CG PRO A 58 119.414 7.136 -10.370 1.00 0.00 C ATOM 922 CD PRO A 58 119.267 6.529 -8.964 1.00 0.00 C ATOM 0 HA PRO A 58 117.935 9.268 -8.961 1.00 0.00 H new ATOM 0 HB2 PRO A 58 117.438 7.264 -11.206 1.00 0.00 H new ATOM 0 HB3 PRO A 58 118.344 8.762 -11.280 1.00 0.00 H new ATOM 0 HG2 PRO A 58 119.578 6.354 -11.112 1.00 0.00 H new ATOM 0 HG3 PRO A 58 120.275 7.802 -10.414 1.00 0.00 H new ATOM 0 HD2 PRO A 58 119.145 5.447 -9.008 1.00 0.00 H new ATOM 0 HD3 PRO A 58 120.146 6.726 -8.351 1.00 0.00 H new ATOM 930 N LYS A 59 115.525 9.499 -8.923 1.00 0.00 N ATOM 931 CA LYS A 59 114.041 9.633 -8.906 1.00 0.00 C ATOM 932 C LYS A 59 113.527 10.072 -10.277 1.00 0.00 C ATOM 933 O LYS A 59 114.200 9.940 -11.280 1.00 0.00 O ATOM 934 CB LYS A 59 113.626 10.663 -7.851 1.00 0.00 C ATOM 935 CG LYS A 59 114.363 11.989 -8.089 1.00 0.00 C ATOM 936 CD LYS A 59 115.160 12.369 -6.835 1.00 0.00 C ATOM 937 CE LYS A 59 116.013 13.609 -7.116 1.00 0.00 C ATOM 938 NZ LYS A 59 117.139 13.667 -6.141 1.00 0.00 N ATOM 0 H LYS A 59 116.041 10.323 -8.613 1.00 0.00 H new ATOM 0 HA LYS A 59 113.608 8.663 -8.661 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.549 10.824 -7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 59 113.853 10.286 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 59 115.033 11.895 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 59 113.648 12.776 -8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 59 114.479 12.565 -6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 59 115.798 11.538 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 59 116.401 13.574 -8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 59 115.403 14.509 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 117.719 14.509 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 116.759 13.719 -5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 117.725 12.813 -6.237 1.00 0.00 H new ATOM 952 N ILE A 60 112.325 10.578 -10.321 1.00 0.00 N ATOM 953 CA ILE A 60 111.732 11.013 -11.617 1.00 0.00 C ATOM 954 C ILE A 60 110.648 12.060 -11.347 1.00 0.00 C ATOM 955 O ILE A 60 110.058 12.091 -10.285 1.00 0.00 O ATOM 956 CB ILE A 60 111.100 9.793 -12.309 1.00 0.00 C ATOM 957 CG1 ILE A 60 110.844 8.698 -11.260 1.00 0.00 C ATOM 958 CG2 ILE A 60 112.043 9.253 -13.390 1.00 0.00 C ATOM 959 CD1 ILE A 60 109.773 7.720 -11.752 1.00 0.00 C ATOM 0 H ILE A 60 111.724 10.710 -9.508 1.00 0.00 H new ATOM 0 HA ILE A 60 112.504 11.443 -12.256 1.00 0.00 H new ATOM 0 HB ILE A 60 110.160 10.090 -12.775 1.00 0.00 H new ATOM 0 HG12 ILE A 60 111.769 8.160 -11.055 1.00 0.00 H new ATOM 0 HG13 ILE A 60 110.526 9.153 -10.322 1.00 0.00 H new ATOM 0 HG21 ILE A 60 111.586 8.390 -13.873 1.00 0.00 H new ATOM 0 HG22 ILE A 60 112.228 10.029 -14.133 1.00 0.00 H new ATOM 0 HG23 ILE A 60 112.987 8.956 -12.934 1.00 0.00 H new ATOM 0 HD11 ILE A 60 109.606 6.953 -10.996 1.00 0.00 H new ATOM 0 HD12 ILE A 60 108.843 8.259 -11.933 1.00 0.00 H new ATOM 0 HD13 ILE A 60 110.106 7.251 -12.678 1.00 0.00 H new ATOM 971 N ALA A 61 110.372 12.911 -12.298 1.00 0.00 N ATOM 972 CA ALA A 61 109.317 13.942 -12.086 1.00 0.00 C ATOM 973 C ALA A 61 108.000 13.248 -11.739 1.00 0.00 C ATOM 974 O ALA A 61 107.154 13.041 -12.587 1.00 0.00 O ATOM 975 CB ALA A 61 109.134 14.767 -13.361 1.00 0.00 C ATOM 0 H ALA A 61 110.830 12.937 -13.209 1.00 0.00 H new ATOM 0 HA ALA A 61 109.614 14.602 -11.271 1.00 0.00 H new ATOM 0 HB1 ALA A 61 108.362 15.519 -13.200 1.00 0.00 H new ATOM 0 HB2 ALA A 61 110.073 15.260 -13.614 1.00 0.00 H new ATOM 0 HB3 ALA A 61 108.837 14.111 -14.179 1.00 0.00 H new ATOM 981 N CYS A 62 107.825 12.882 -10.500 1.00 0.00 N ATOM 982 CA CYS A 62 106.568 12.195 -10.089 1.00 0.00 C ATOM 983 C CYS A 62 105.366 12.901 -10.724 1.00 0.00 C ATOM 984 O CYS A 62 104.794 12.426 -11.685 1.00 0.00 O ATOM 985 CB CYS A 62 106.459 12.230 -8.559 1.00 0.00 C ATOM 986 SG CYS A 62 106.766 10.576 -7.896 1.00 0.00 S ATOM 0 H CYS A 62 108.501 13.030 -9.751 1.00 0.00 H new ATOM 0 HA CYS A 62 106.581 11.158 -10.426 1.00 0.00 H new ATOM 0 HB2 CYS A 62 107.179 12.938 -8.148 1.00 0.00 H new ATOM 0 HB3 CYS A 62 105.469 12.575 -8.262 1.00 0.00 H new ATOM 991 N LYS A 63 104.980 14.030 -10.201 1.00 0.00 N ATOM 992 CA LYS A 63 103.819 14.759 -10.783 1.00 0.00 C ATOM 993 C LYS A 63 104.239 15.401 -12.105 1.00 0.00 C ATOM 994 O LYS A 63 103.818 14.997 -13.171 1.00 0.00 O ATOM 995 CB LYS A 63 103.364 15.849 -9.810 1.00 0.00 C ATOM 996 CG LYS A 63 102.573 15.215 -8.664 1.00 0.00 C ATOM 997 CD LYS A 63 102.098 16.308 -7.705 1.00 0.00 C ATOM 998 CE LYS A 63 101.315 15.674 -6.554 1.00 0.00 C ATOM 999 NZ LYS A 63 102.210 14.759 -5.790 1.00 0.00 N ATOM 0 H LYS A 63 105.417 14.480 -9.397 1.00 0.00 H new ATOM 0 HA LYS A 63 102.999 14.063 -10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 63 104.229 16.384 -9.417 1.00 0.00 H new ATOM 0 HB3 LYS A 63 102.746 16.581 -10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 63 101.718 14.666 -9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 63 103.196 14.496 -8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 63 102.953 16.861 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 63 101.470 17.024 -8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 63 100.923 16.449 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 63 100.459 15.122 -6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 101.918 14.741 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 102.146 13.800 -6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 103.191 15.097 -5.857 1.00 0.00 H new ATOM 1013 N ASN A 64 105.073 16.396 -12.035 1.00 0.00 N ATOM 1014 CA ASN A 64 105.545 17.083 -13.270 1.00 0.00 C ATOM 1015 C ASN A 64 106.894 17.721 -12.962 1.00 0.00 C ATOM 1016 O ASN A 64 107.320 18.665 -13.597 1.00 0.00 O ATOM 1017 CB ASN A 64 104.542 18.166 -13.668 1.00 0.00 C ATOM 1018 CG ASN A 64 104.782 18.579 -15.121 1.00 0.00 C ATOM 1019 OD1 ASN A 64 105.896 18.525 -15.604 1.00 0.00 O ATOM 1020 ND2 ASN A 64 103.777 18.994 -15.843 1.00 0.00 N ATOM 0 H ASN A 64 105.454 16.769 -11.165 1.00 0.00 H new ATOM 0 HA ASN A 64 105.638 16.373 -14.092 1.00 0.00 H new ATOM 0 HB2 ASN A 64 103.524 17.795 -13.548 1.00 0.00 H new ATOM 0 HB3 ASN A 64 104.645 19.030 -13.012 1.00 0.00 H new ATOM 0 HD21 ASN A 64 103.926 19.273 -16.813 1.00 0.00 H new ATOM 0 HD22 ASN A 64 102.842 19.039 -15.438 1.00 0.00 H new ATOM 1027 N GLY A 65 107.556 17.206 -11.968 1.00 0.00 N ATOM 1028 CA GLY A 65 108.877 17.754 -11.562 1.00 0.00 C ATOM 1029 C GLY A 65 109.056 17.518 -10.064 1.00 0.00 C ATOM 1030 O GLY A 65 110.017 17.955 -9.463 1.00 0.00 O ATOM 0 H GLY A 65 107.233 16.416 -11.410 1.00 0.00 H new ATOM 0 HA2 GLY A 65 109.677 17.269 -12.121 1.00 0.00 H new ATOM 0 HA3 GLY A 65 108.931 18.819 -11.787 1.00 0.00 H new ATOM 1034 N ASP A 66 108.128 16.824 -9.456 1.00 0.00 N ATOM 1035 CA ASP A 66 108.233 16.553 -7.995 1.00 0.00 C ATOM 1036 C ASP A 66 109.560 15.854 -7.704 1.00 0.00 C ATOM 1037 O ASP A 66 110.183 16.087 -6.688 1.00 0.00 O ATOM 1038 CB ASP A 66 107.073 15.648 -7.562 1.00 0.00 C ATOM 1039 CG ASP A 66 105.913 16.504 -7.046 1.00 0.00 C ATOM 1040 OD1 ASP A 66 105.769 17.619 -7.518 1.00 0.00 O ATOM 1041 OD2 ASP A 66 105.188 16.028 -6.188 1.00 0.00 O ATOM 0 H ASP A 66 107.302 16.434 -9.911 1.00 0.00 H new ATOM 0 HA ASP A 66 108.188 17.492 -7.444 1.00 0.00 H new ATOM 0 HB2 ASP A 66 106.742 15.039 -8.403 1.00 0.00 H new ATOM 0 HB3 ASP A 66 107.406 14.962 -6.783 1.00 0.00 H new ATOM 1046 N LYS A 67 109.996 14.995 -8.584 1.00 0.00 N ATOM 1047 CA LYS A 67 111.281 14.286 -8.345 1.00 0.00 C ATOM 1048 C LYS A 67 111.243 13.644 -6.956 1.00 0.00 C ATOM 1049 O LYS A 67 112.145 13.816 -6.160 1.00 0.00 O ATOM 1050 CB LYS A 67 112.430 15.300 -8.421 1.00 0.00 C ATOM 1051 CG LYS A 67 112.755 15.592 -9.890 1.00 0.00 C ATOM 1052 CD LYS A 67 113.824 16.690 -9.981 1.00 0.00 C ATOM 1053 CE LYS A 67 115.220 16.062 -9.926 1.00 0.00 C ATOM 1054 NZ LYS A 67 116.215 17.098 -9.528 1.00 0.00 N ATOM 0 H LYS A 67 109.520 14.755 -9.453 1.00 0.00 H new ATOM 0 HA LYS A 67 111.432 13.511 -9.097 1.00 0.00 H new ATOM 0 HB2 LYS A 67 112.151 16.221 -7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 67 113.311 14.907 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 67 113.110 14.685 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 67 111.853 15.906 -10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 67 113.704 17.251 -10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 67 113.701 17.398 -9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 67 115.232 15.238 -9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 67 115.482 15.646 -10.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 117.163 16.672 -9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 116.210 17.870 -10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 115.967 17.475 -8.591 1.00 0.00 H new ATOM 1068 N ASN A 68 110.193 12.917 -6.652 1.00 0.00 N ATOM 1069 CA ASN A 68 110.087 12.280 -5.301 1.00 0.00 C ATOM 1070 C ASN A 68 109.916 10.757 -5.418 1.00 0.00 C ATOM 1071 O ASN A 68 109.863 10.063 -4.412 1.00 0.00 O ATOM 1072 CB ASN A 68 108.877 12.863 -4.567 1.00 0.00 C ATOM 1073 CG ASN A 68 109.162 14.317 -4.188 1.00 0.00 C ATOM 1074 OD1 ASN A 68 108.508 15.222 -4.668 1.00 0.00 O ATOM 1075 ND2 ASN A 68 110.119 14.582 -3.341 1.00 0.00 N ATOM 0 H ASN A 68 109.408 12.738 -7.279 1.00 0.00 H new ATOM 0 HA ASN A 68 111.005 12.484 -4.750 1.00 0.00 H new ATOM 0 HB2 ASN A 68 107.992 12.808 -5.201 1.00 0.00 H new ATOM 0 HB3 ASN A 68 108.664 12.278 -3.672 1.00 0.00 H new ATOM 0 HD21 ASN A 68 110.318 15.548 -3.082 1.00 0.00 H new ATOM 0 HD22 ASN A 68 110.668 13.823 -2.938 1.00 0.00 H new ATOM 1082 N CYS A 69 109.836 10.224 -6.619 1.00 0.00 N ATOM 1083 CA CYS A 69 109.676 8.752 -6.771 1.00 0.00 C ATOM 1084 C CYS A 69 111.057 8.111 -6.847 1.00 0.00 C ATOM 1085 O CYS A 69 112.043 8.773 -7.081 1.00 0.00 O ATOM 1086 CB CYS A 69 108.896 8.436 -8.055 1.00 0.00 C ATOM 1087 SG CYS A 69 108.423 9.975 -8.879 1.00 0.00 S ATOM 0 H CYS A 69 109.875 10.749 -7.493 1.00 0.00 H new ATOM 0 HA CYS A 69 109.126 8.357 -5.917 1.00 0.00 H new ATOM 0 HB2 CYS A 69 109.507 7.828 -8.722 1.00 0.00 H new ATOM 0 HB3 CYS A 69 108.007 7.852 -7.817 1.00 0.00 H new ATOM 1092 N HIS A 70 111.134 6.829 -6.666 1.00 0.00 N ATOM 1093 CA HIS A 70 112.452 6.145 -6.738 1.00 0.00 C ATOM 1094 C HIS A 70 112.216 4.718 -7.199 1.00 0.00 C ATOM 1095 O HIS A 70 111.529 3.956 -6.551 1.00 0.00 O ATOM 1096 CB HIS A 70 113.095 6.116 -5.354 1.00 0.00 C ATOM 1097 CG HIS A 70 113.853 7.387 -5.098 1.00 0.00 C ATOM 1098 ND1 HIS A 70 115.236 7.417 -4.992 1.00 0.00 N ATOM 1099 CD2 HIS A 70 113.434 8.676 -4.909 1.00 0.00 C ATOM 1100 CE1 HIS A 70 115.596 8.692 -4.750 1.00 0.00 C ATOM 1101 NE2 HIS A 70 114.535 9.497 -4.690 1.00 0.00 N ATOM 0 H HIS A 70 110.339 6.220 -6.470 1.00 0.00 H new ATOM 0 HA HIS A 70 113.110 6.674 -7.428 1.00 0.00 H new ATOM 0 HB2 HIS A 70 112.326 5.985 -4.592 1.00 0.00 H new ATOM 0 HB3 HIS A 70 113.769 5.262 -5.278 1.00 0.00 H new ATOM 0 HD2 HIS A 70 112.406 9.005 -4.927 1.00 0.00 H new ATOM 0 HE1 HIS A 70 116.616 9.021 -4.621 1.00 0.00 H new ATOM 0 HE2 HIS A 70 114.531 10.503 -4.519 1.00 0.00 H new ATOM 1110 N GLN A 71 112.770 4.351 -8.311 1.00 0.00 N ATOM 1111 CA GLN A 71 112.556 2.967 -8.820 1.00 0.00 C ATOM 1112 C GLN A 71 113.691 2.048 -8.374 1.00 0.00 C ATOM 1113 O GLN A 71 114.855 2.389 -8.442 1.00 0.00 O ATOM 1114 CB GLN A 71 112.440 3.004 -10.349 1.00 0.00 C ATOM 1115 CG GLN A 71 113.221 1.849 -10.988 1.00 0.00 C ATOM 1116 CD GLN A 71 112.920 1.800 -12.487 1.00 0.00 C ATOM 1117 OE1 GLN A 71 113.341 0.890 -13.173 1.00 0.00 O ATOM 1118 NE2 GLN A 71 112.204 2.748 -13.028 1.00 0.00 N ATOM 0 H GLN A 71 113.362 4.944 -8.893 1.00 0.00 H new ATOM 0 HA GLN A 71 111.631 2.567 -8.406 1.00 0.00 H new ATOM 0 HB2 GLN A 71 111.391 2.943 -10.639 1.00 0.00 H new ATOM 0 HB3 GLN A 71 112.819 3.955 -10.723 1.00 0.00 H new ATOM 0 HG2 GLN A 71 114.290 1.984 -10.825 1.00 0.00 H new ATOM 0 HG3 GLN A 71 112.944 0.905 -10.519 1.00 0.00 H new ATOM 0 HE21 GLN A 71 111.851 3.512 -12.452 1.00 0.00 H new ATOM 0 HE22 GLN A 71 111.998 2.725 -14.027 1.00 0.00 H new ATOM 1127 N SER A 72 113.343 0.875 -7.920 1.00 0.00 N ATOM 1128 CA SER A 72 114.374 -0.095 -7.465 1.00 0.00 C ATOM 1129 C SER A 72 115.403 -0.297 -8.581 1.00 0.00 C ATOM 1130 O SER A 72 115.070 -0.323 -9.749 1.00 0.00 O ATOM 1131 CB SER A 72 113.699 -1.430 -7.130 1.00 0.00 C ATOM 1132 OG SER A 72 112.402 -1.454 -7.710 1.00 0.00 O ATOM 0 H SER A 72 112.380 0.546 -7.845 1.00 0.00 H new ATOM 0 HA SER A 72 114.877 0.286 -6.576 1.00 0.00 H new ATOM 0 HB2 SER A 72 114.296 -2.259 -7.510 1.00 0.00 H new ATOM 0 HB3 SER A 72 113.630 -1.556 -6.049 1.00 0.00 H new ATOM 0 HG SER A 72 111.758 -1.055 -7.088 1.00 0.00 H new ATOM 1138 N HIS A 73 116.650 -0.438 -8.230 1.00 0.00 N ATOM 1139 CA HIS A 73 117.700 -0.637 -9.268 1.00 0.00 C ATOM 1140 C HIS A 73 117.615 -2.063 -9.811 1.00 0.00 C ATOM 1141 O HIS A 73 118.575 -2.601 -10.326 1.00 0.00 O ATOM 1142 CB HIS A 73 119.074 -0.418 -8.637 1.00 0.00 C ATOM 1143 CG HIS A 73 120.091 -0.159 -9.715 1.00 0.00 C ATOM 1144 ND1 HIS A 73 120.495 -1.145 -10.604 1.00 0.00 N ATOM 1145 CD2 HIS A 73 120.796 0.969 -10.060 1.00 0.00 C ATOM 1146 CE1 HIS A 73 121.403 -0.597 -11.433 1.00 0.00 C ATOM 1147 NE2 HIS A 73 121.621 0.686 -11.143 1.00 0.00 N ATOM 0 H HIS A 73 116.988 -0.424 -7.268 1.00 0.00 H new ATOM 0 HA HIS A 73 117.550 0.072 -10.083 1.00 0.00 H new ATOM 0 HB2 HIS A 73 119.038 0.425 -7.947 1.00 0.00 H new ATOM 0 HB3 HIS A 73 119.361 -1.294 -8.055 1.00 0.00 H new ATOM 0 HD1 HIS A 73 120.164 -2.110 -10.625 1.00 0.00 H new ATOM 0 HD2 HIS A 73 120.721 1.927 -9.567 1.00 0.00 H new ATOM 0 HE1 HIS A 73 121.894 -1.130 -12.234 1.00 0.00 H new ATOM 1156 N GLY A 74 116.475 -2.680 -9.696 1.00 0.00 N ATOM 1157 CA GLY A 74 116.331 -4.074 -10.202 1.00 0.00 C ATOM 1158 C GLY A 74 114.988 -4.647 -9.747 1.00 0.00 C ATOM 1159 O GLY A 74 114.199 -3.974 -9.115 1.00 0.00 O ATOM 0 H GLY A 74 115.636 -2.281 -9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.393 -4.085 -11.290 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.147 -4.693 -9.830 1.00 0.00 H new ATOM 1163 N PRO A 75 114.730 -5.885 -10.073 1.00 0.00 N ATOM 1164 CA PRO A 75 113.459 -6.567 -9.700 1.00 0.00 C ATOM 1165 C PRO A 75 113.412 -6.943 -8.215 1.00 0.00 C ATOM 1166 O PRO A 75 114.270 -7.646 -7.718 1.00 0.00 O ATOM 1167 CB PRO A 75 113.455 -7.823 -10.576 1.00 0.00 C ATOM 1168 CG PRO A 75 114.895 -8.117 -10.846 1.00 0.00 C ATOM 1169 CD PRO A 75 115.626 -6.771 -10.834 1.00 0.00 C ATOM 0 HA PRO A 75 112.592 -5.924 -9.855 1.00 0.00 H new ATOM 0 HB2 PRO A 75 112.972 -8.657 -10.067 1.00 0.00 H new ATOM 0 HB3 PRO A 75 112.907 -7.655 -11.503 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.303 -8.786 -10.088 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.015 -8.615 -11.808 1.00 0.00 H new ATOM 0 HD2 PRO A 75 116.604 -6.852 -10.360 1.00 0.00 H new ATOM 0 HD3 PRO A 75 115.792 -6.398 -11.845 1.00 0.00 H new ATOM 1177 N VAL A 76 112.410 -6.488 -7.504 1.00 0.00 N ATOM 1178 CA VAL A 76 112.300 -6.824 -6.056 1.00 0.00 C ATOM 1179 C VAL A 76 111.146 -7.807 -5.880 1.00 0.00 C ATOM 1180 O VAL A 76 110.107 -7.676 -6.500 1.00 0.00 O ATOM 1181 CB VAL A 76 112.020 -5.543 -5.248 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.242 -4.553 -6.108 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.211 -5.882 -3.990 1.00 0.00 C ATOM 0 H VAL A 76 111.663 -5.897 -7.868 1.00 0.00 H new ATOM 0 HA VAL A 76 113.229 -7.268 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 76 112.969 -5.096 -4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.046 -3.648 -5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 76 111.827 -4.301 -6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.297 -5.001 -6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.018 -4.970 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.264 -6.338 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 76 111.776 -6.579 -3.371 1.00 0.00 H new ATOM 1193 N SER A 77 111.310 -8.784 -5.035 1.00 0.00 N ATOM 1194 CA SER A 77 110.210 -9.758 -4.819 1.00 0.00 C ATOM 1195 C SER A 77 109.027 -9.010 -4.214 1.00 0.00 C ATOM 1196 O SER A 77 108.862 -8.960 -3.019 1.00 0.00 O ATOM 1197 CB SER A 77 110.673 -10.854 -3.859 1.00 0.00 C ATOM 1198 OG SER A 77 111.242 -10.256 -2.702 1.00 0.00 O ATOM 0 H SER A 77 112.155 -8.949 -4.487 1.00 0.00 H new ATOM 0 HA SER A 77 109.922 -10.219 -5.764 1.00 0.00 H new ATOM 0 HB2 SER A 77 109.831 -11.487 -3.578 1.00 0.00 H new ATOM 0 HB3 SER A 77 111.406 -11.496 -4.348 1.00 0.00 H new ATOM 0 HG SER A 77 111.538 -10.956 -2.084 1.00 0.00 H new ATOM 1204 N LEU A 78 108.208 -8.414 -5.028 1.00 0.00 N ATOM 1205 CA LEU A 78 107.046 -7.658 -4.493 1.00 0.00 C ATOM 1206 C LEU A 78 105.820 -8.564 -4.445 1.00 0.00 C ATOM 1207 O LEU A 78 105.873 -9.720 -4.816 1.00 0.00 O ATOM 1208 CB LEU A 78 106.762 -6.467 -5.400 1.00 0.00 C ATOM 1209 CG LEU A 78 106.349 -6.949 -6.793 1.00 0.00 C ATOM 1210 CD1 LEU A 78 104.870 -7.368 -6.805 1.00 0.00 C ATOM 1211 CD2 LEU A 78 106.556 -5.809 -7.784 1.00 0.00 C ATOM 0 H LEU A 78 108.293 -8.417 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 78 107.273 -7.308 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 78 105.970 -5.854 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 78 107.649 -5.837 -5.473 1.00 0.00 H new ATOM 0 HG LEU A 78 106.956 -7.811 -7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 78 104.596 -7.707 -7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 78 104.715 -8.178 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.248 -6.517 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.266 -6.137 -8.782 1.00 0.00 H new ATOM 0 HD22 LEU A 78 105.944 -4.956 -7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 78 107.606 -5.517 -7.789 1.00 0.00 H new ATOM 1223 N THR A 79 104.714 -8.045 -3.994 1.00 0.00 N ATOM 1224 CA THR A 79 103.472 -8.862 -3.922 1.00 0.00 C ATOM 1225 C THR A 79 102.273 -8.000 -4.301 1.00 0.00 C ATOM 1226 O THR A 79 101.866 -7.127 -3.564 1.00 0.00 O ATOM 1227 CB THR A 79 103.299 -9.384 -2.498 1.00 0.00 C ATOM 1228 OG1 THR A 79 103.975 -10.626 -2.371 1.00 0.00 O ATOM 1229 CG2 THR A 79 101.819 -9.580 -2.177 1.00 0.00 C ATOM 0 H THR A 79 104.616 -7.083 -3.670 1.00 0.00 H new ATOM 0 HA THR A 79 103.543 -9.702 -4.613 1.00 0.00 H new ATOM 0 HB THR A 79 103.717 -8.657 -1.802 1.00 0.00 H new ATOM 0 HG1 THR A 79 104.908 -10.521 -2.651 1.00 0.00 H new ATOM 0 HG21 THR A 79 101.714 -9.953 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.297 -8.628 -2.271 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.388 -10.300 -2.873 1.00 0.00 H new ATOM 1237 N MET A 80 101.694 -8.244 -5.438 1.00 0.00 N ATOM 1238 CA MET A 80 100.509 -7.441 -5.843 1.00 0.00 C ATOM 1239 C MET A 80 99.240 -8.120 -5.325 1.00 0.00 C ATOM 1240 O MET A 80 98.837 -9.157 -5.817 1.00 0.00 O ATOM 1241 CB MET A 80 100.442 -7.342 -7.369 1.00 0.00 C ATOM 1242 CG MET A 80 101.732 -6.711 -7.914 1.00 0.00 C ATOM 1243 SD MET A 80 101.318 -5.337 -9.021 1.00 0.00 S ATOM 1244 CE MET A 80 101.106 -6.315 -10.528 1.00 0.00 C ATOM 0 H MET A 80 101.986 -8.960 -6.103 1.00 0.00 H new ATOM 0 HA MET A 80 100.593 -6.439 -5.422 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.303 -8.334 -7.800 1.00 0.00 H new ATOM 0 HB3 MET A 80 99.581 -6.742 -7.665 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.350 -6.354 -7.090 1.00 0.00 H new ATOM 0 HG3 MET A 80 102.316 -7.459 -8.450 1.00 0.00 H new ATOM 0 HE1 MET A 80 100.299 -5.892 -11.126 1.00 0.00 H new ATOM 0 HE2 MET A 80 102.031 -6.300 -11.105 1.00 0.00 H new ATOM 0 HE3 MET A 80 100.860 -7.343 -10.263 1.00 0.00 H new ATOM 1254 N CYS A 81 98.603 -7.548 -4.338 1.00 0.00 N ATOM 1255 CA CYS A 81 97.358 -8.165 -3.806 1.00 0.00 C ATOM 1256 C CYS A 81 96.159 -7.539 -4.505 1.00 0.00 C ATOM 1257 O CYS A 81 96.185 -6.382 -4.870 1.00 0.00 O ATOM 1258 CB CYS A 81 97.244 -7.901 -2.307 1.00 0.00 C ATOM 1259 SG CYS A 81 98.843 -8.175 -1.512 1.00 0.00 S ATOM 0 H CYS A 81 98.891 -6.683 -3.880 1.00 0.00 H new ATOM 0 HA CYS A 81 97.385 -9.240 -3.984 1.00 0.00 H new ATOM 0 HB2 CYS A 81 96.912 -6.877 -2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.493 -8.558 -1.869 1.00 0.00 H new ATOM 1264 N LYS A 82 95.104 -8.285 -4.696 1.00 0.00 N ATOM 1265 CA LYS A 82 93.915 -7.719 -5.366 1.00 0.00 C ATOM 1266 C LYS A 82 92.665 -8.126 -4.586 1.00 0.00 C ATOM 1267 O LYS A 82 92.651 -9.133 -3.906 1.00 0.00 O ATOM 1268 CB LYS A 82 93.844 -8.249 -6.805 1.00 0.00 C ATOM 1269 CG LYS A 82 92.884 -9.436 -6.868 1.00 0.00 C ATOM 1270 CD LYS A 82 93.056 -10.169 -8.200 1.00 0.00 C ATOM 1271 CE LYS A 82 92.668 -9.240 -9.352 1.00 0.00 C ATOM 1272 NZ LYS A 82 92.419 -10.048 -10.579 1.00 0.00 N ATOM 0 H LYS A 82 95.021 -9.262 -4.414 1.00 0.00 H new ATOM 0 HA LYS A 82 93.980 -6.631 -5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 82 93.507 -7.460 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 82 94.836 -8.552 -7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.078 -10.117 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 82 91.856 -9.090 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 82 94.089 -10.496 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 82 92.435 -11.064 -8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 82 91.775 -8.672 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 82 93.464 -8.518 -9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.155 -9.417 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 93.282 -10.571 -10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 91.646 -10.721 -10.401 1.00 0.00 H new ATOM 1286 N LEU A 83 91.612 -7.364 -4.677 1.00 0.00 N ATOM 1287 CA LEU A 83 90.381 -7.740 -3.935 1.00 0.00 C ATOM 1288 C LEU A 83 89.694 -8.877 -4.671 1.00 0.00 C ATOM 1289 O LEU A 83 89.139 -8.704 -5.737 1.00 0.00 O ATOM 1290 CB LEU A 83 89.421 -6.551 -3.823 1.00 0.00 C ATOM 1291 CG LEU A 83 88.083 -7.015 -3.225 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.336 -7.899 -2.005 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.267 -5.801 -2.781 1.00 0.00 C ATOM 0 H LEU A 83 91.551 -6.507 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 83 90.658 -8.050 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.860 -5.775 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.257 -6.111 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 83 87.538 -7.576 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.383 -8.224 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.918 -8.771 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 83 88.888 -7.334 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.319 -6.135 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 83 87.824 -5.243 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.074 -5.158 -3.640 1.00 0.00 H new ATOM 1305 N THR A 84 89.727 -10.039 -4.102 1.00 0.00 N ATOM 1306 CA THR A 84 89.075 -11.199 -4.756 1.00 0.00 C ATOM 1307 C THR A 84 87.564 -10.996 -4.727 1.00 0.00 C ATOM 1308 O THR A 84 86.902 -11.124 -5.737 1.00 0.00 O ATOM 1309 CB THR A 84 89.445 -12.486 -4.021 1.00 0.00 C ATOM 1310 OG1 THR A 84 88.705 -12.561 -2.814 1.00 0.00 O ATOM 1311 CG2 THR A 84 90.948 -12.495 -3.707 1.00 0.00 C ATOM 0 H THR A 84 90.178 -10.239 -3.209 1.00 0.00 H new ATOM 0 HA THR A 84 89.414 -11.279 -5.789 1.00 0.00 H new ATOM 0 HB THR A 84 89.210 -13.344 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 84 88.957 -11.816 -2.229 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.205 -13.416 -3.183 1.00 0.00 H new ATOM 0 HG22 THR A 84 91.514 -12.437 -4.637 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.193 -11.639 -3.078 1.00 0.00 H new ATOM 1319 N SER A 85 87.003 -10.661 -3.587 1.00 0.00 N ATOM 1320 CA SER A 85 85.519 -10.439 -3.550 1.00 0.00 C ATOM 1321 C SER A 85 84.992 -10.427 -2.110 1.00 0.00 C ATOM 1322 O SER A 85 85.635 -10.890 -1.189 1.00 0.00 O ATOM 1323 CB SER A 85 84.812 -11.553 -4.330 1.00 0.00 C ATOM 1324 OG SER A 85 84.585 -11.120 -5.665 1.00 0.00 O ATOM 0 H SER A 85 87.493 -10.534 -2.701 1.00 0.00 H new ATOM 0 HA SER A 85 85.313 -9.469 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 85 85.420 -12.457 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 85 83.866 -11.804 -3.851 1.00 0.00 H new ATOM 0 HG SER A 85 85.435 -11.106 -6.153 1.00 0.00 H new ATOM 1330 N GLY A 86 83.806 -9.900 -1.929 1.00 0.00 N ATOM 1331 CA GLY A 86 83.186 -9.843 -0.576 1.00 0.00 C ATOM 1332 C GLY A 86 82.432 -8.519 -0.426 1.00 0.00 C ATOM 1333 O GLY A 86 81.241 -8.504 -0.214 1.00 0.00 O ATOM 0 H GLY A 86 83.236 -9.502 -2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 86 82.504 -10.682 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 86 83.954 -9.928 0.193 1.00 0.00 H new ATOM 1337 N LYS A 87 83.145 -7.423 -0.545 1.00 0.00 N ATOM 1338 CA LYS A 87 82.558 -6.044 -0.431 1.00 0.00 C ATOM 1339 C LYS A 87 83.556 -5.171 0.330 1.00 0.00 C ATOM 1340 O LYS A 87 84.728 -5.153 0.020 1.00 0.00 O ATOM 1341 CB LYS A 87 81.219 -6.064 0.318 1.00 0.00 C ATOM 1342 CG LYS A 87 80.093 -6.426 -0.655 1.00 0.00 C ATOM 1343 CD LYS A 87 79.299 -5.170 -1.029 1.00 0.00 C ATOM 1344 CE LYS A 87 78.421 -5.463 -2.246 1.00 0.00 C ATOM 1345 NZ LYS A 87 77.848 -6.834 -2.127 1.00 0.00 N ATOM 0 H LYS A 87 84.149 -7.427 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 87 82.371 -5.650 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.257 -6.788 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 87 81.027 -5.089 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 87 80.510 -6.883 -1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 87 79.431 -7.163 -0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 87 78.680 -4.855 -0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 87 79.981 -4.348 -1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 87 77.620 -4.727 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 87 79.009 -5.381 -3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 77.044 -6.932 -2.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 78.576 -7.537 -2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 77.524 -6.991 -1.151 1.00 0.00 H new ATOM 1359 N TYR A 88 83.113 -4.459 1.330 1.00 0.00 N ATOM 1360 CA TYR A 88 84.058 -3.613 2.112 1.00 0.00 C ATOM 1361 C TYR A 88 84.271 -4.240 3.499 1.00 0.00 C ATOM 1362 O TYR A 88 85.383 -4.313 3.982 1.00 0.00 O ATOM 1363 CB TYR A 88 83.518 -2.179 2.246 1.00 0.00 C ATOM 1364 CG TYR A 88 83.896 -1.635 3.603 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.220 -1.739 4.050 1.00 0.00 C ATOM 1366 CD2 TYR A 88 82.923 -1.066 4.423 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.566 -1.270 5.320 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.266 -0.602 5.698 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.588 -0.705 6.147 1.00 0.00 C ATOM 1370 OH TYR A 88 84.927 -0.250 7.405 1.00 0.00 O ATOM 0 H TYR A 88 82.141 -4.426 1.638 1.00 0.00 H new ATOM 0 HA TYR A 88 85.013 -3.564 1.588 1.00 0.00 H new ATOM 0 HB2 TYR A 88 83.930 -1.547 1.459 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.435 -2.172 2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 88 85.972 -2.181 3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 88 81.904 -0.983 4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.587 -1.343 5.663 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.511 -0.165 6.335 1.00 0.00 H new ATOM 0 HH TYR A 88 84.131 0.114 7.847 1.00 0.00 H new ATOM 1380 N PRO A 89 83.225 -4.690 4.143 1.00 0.00 N ATOM 1381 CA PRO A 89 83.328 -5.308 5.484 1.00 0.00 C ATOM 1382 C PRO A 89 83.571 -6.821 5.398 1.00 0.00 C ATOM 1383 O PRO A 89 83.717 -7.495 6.398 1.00 0.00 O ATOM 1384 CB PRO A 89 81.962 -5.012 6.097 1.00 0.00 C ATOM 1385 CG PRO A 89 81.009 -4.995 4.939 1.00 0.00 C ATOM 1386 CD PRO A 89 81.829 -4.667 3.679 1.00 0.00 C ATOM 0 HA PRO A 89 84.164 -4.920 6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 89 81.684 -5.774 6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 89 81.964 -4.056 6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.513 -5.960 4.835 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.228 -4.251 5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.659 -5.400 2.891 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.561 -3.692 3.271 1.00 0.00 H new ATOM 1394 N ASN A 90 83.605 -7.357 4.204 1.00 0.00 N ATOM 1395 CA ASN A 90 83.826 -8.826 4.044 1.00 0.00 C ATOM 1396 C ASN A 90 84.688 -9.082 2.804 1.00 0.00 C ATOM 1397 O ASN A 90 84.593 -10.117 2.179 1.00 0.00 O ATOM 1398 CB ASN A 90 82.470 -9.516 3.863 1.00 0.00 C ATOM 1399 CG ASN A 90 82.502 -10.905 4.506 1.00 0.00 C ATOM 1400 OD1 ASN A 90 82.785 -11.037 5.680 1.00 0.00 O ATOM 1401 ND2 ASN A 90 82.221 -11.953 3.780 1.00 0.00 N ATOM 0 H ASN A 90 83.489 -6.840 3.332 1.00 0.00 H new ATOM 0 HA ASN A 90 84.331 -9.219 4.926 1.00 0.00 H new ATOM 0 HB2 ASN A 90 81.682 -8.914 4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.235 -9.602 2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 90 82.239 -12.883 4.198 1.00 0.00 H new ATOM 0 HD22 ASN A 90 81.983 -11.842 2.794 1.00 0.00 H new ATOM 1408 N CYS A 91 85.515 -8.144 2.441 1.00 0.00 N ATOM 1409 CA CYS A 91 86.366 -8.316 1.232 1.00 0.00 C ATOM 1410 C CYS A 91 87.600 -9.152 1.565 1.00 0.00 C ATOM 1411 O CYS A 91 88.353 -8.845 2.467 1.00 0.00 O ATOM 1412 CB CYS A 91 86.801 -6.930 0.749 1.00 0.00 C ATOM 1413 SG CYS A 91 86.411 -5.710 2.023 1.00 0.00 S ATOM 0 H CYS A 91 85.639 -7.259 2.933 1.00 0.00 H new ATOM 0 HA CYS A 91 85.800 -8.831 0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 91 87.870 -6.924 0.538 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.291 -6.679 -0.181 1.00 0.00 H new ATOM 1418 N ARG A 92 87.820 -10.196 0.811 1.00 0.00 N ATOM 1419 CA ARG A 92 89.013 -11.056 1.032 1.00 0.00 C ATOM 1420 C ARG A 92 89.948 -10.857 -0.160 1.00 0.00 C ATOM 1421 O ARG A 92 89.507 -10.798 -1.302 1.00 0.00 O ATOM 1422 CB ARG A 92 88.587 -12.525 1.146 1.00 0.00 C ATOM 1423 CG ARG A 92 88.179 -13.062 -0.228 1.00 0.00 C ATOM 1424 CD ARG A 92 87.255 -14.270 -0.055 1.00 0.00 C ATOM 1425 NE ARG A 92 86.932 -14.844 -1.392 1.00 0.00 N ATOM 1426 CZ ARG A 92 86.008 -14.296 -2.132 1.00 0.00 C ATOM 1427 NH1 ARG A 92 85.366 -13.244 -1.702 1.00 0.00 N ATOM 1428 NH2 ARG A 92 85.726 -14.799 -3.303 1.00 0.00 N ATOM 0 H ARG A 92 87.216 -10.490 0.044 1.00 0.00 H new ATOM 0 HA ARG A 92 89.520 -10.786 1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.407 -13.119 1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 92 87.754 -12.617 1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 92 87.673 -12.283 -0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 92 89.065 -13.348 -0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 92 87.736 -15.023 0.569 1.00 0.00 H new ATOM 0 HD3 ARG A 92 86.339 -13.971 0.455 1.00 0.00 H new ATOM 0 HE ARG A 92 87.434 -15.666 -1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 92 85.587 -12.850 -0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 92 84.644 -12.816 -2.281 1.00 0.00 H new ATOM 0 HH21 ARG A 92 86.228 -15.621 -3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 92 85.003 -14.370 -3.882 1.00 0.00 H new ATOM 1442 N TYR A 93 91.225 -10.708 0.097 1.00 0.00 N ATOM 1443 CA TYR A 93 92.194 -10.463 -1.004 1.00 0.00 C ATOM 1444 C TYR A 93 93.103 -11.668 -1.205 1.00 0.00 C ATOM 1445 O TYR A 93 93.233 -12.524 -0.354 1.00 0.00 O ATOM 1446 CB TYR A 93 93.059 -9.257 -0.641 1.00 0.00 C ATOM 1447 CG TYR A 93 92.181 -8.047 -0.446 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.319 -7.976 0.656 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.228 -6.996 -1.368 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.506 -6.854 0.834 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.414 -5.876 -1.189 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.555 -5.804 -0.090 1.00 0.00 C ATOM 1453 OH TYR A 93 89.763 -4.695 0.085 1.00 0.00 O ATOM 0 H TYR A 93 91.635 -10.747 1.030 1.00 0.00 H new ATOM 0 HA TYR A 93 91.638 -10.282 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.622 -9.461 0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 93 93.787 -9.068 -1.430 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.283 -8.788 1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 93 92.893 -7.051 -2.217 1.00 0.00 H new ATOM 0 HE1 TYR A 93 89.841 -6.797 1.683 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.449 -5.065 -1.901 1.00 0.00 H new ATOM 0 HH TYR A 93 89.794 -4.416 1.024 1.00 0.00 H new ATOM 1463 N LYS A 94 93.753 -11.709 -2.330 1.00 0.00 N ATOM 1464 CA LYS A 94 94.696 -12.811 -2.638 1.00 0.00 C ATOM 1465 C LYS A 94 96.069 -12.181 -2.847 1.00 0.00 C ATOM 1466 O LYS A 94 96.192 -11.140 -3.468 1.00 0.00 O ATOM 1467 CB LYS A 94 94.250 -13.534 -3.916 1.00 0.00 C ATOM 1468 CG LYS A 94 93.505 -14.823 -3.551 1.00 0.00 C ATOM 1469 CD LYS A 94 94.510 -15.916 -3.178 1.00 0.00 C ATOM 1470 CE LYS A 94 93.813 -17.278 -3.191 1.00 0.00 C ATOM 1471 NZ LYS A 94 94.793 -18.341 -2.830 1.00 0.00 N ATOM 0 H LYS A 94 93.667 -11.007 -3.065 1.00 0.00 H new ATOM 0 HA LYS A 94 94.724 -13.540 -1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 94 93.603 -12.884 -4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.117 -13.767 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 94 92.828 -14.639 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 94 92.893 -15.150 -4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 94 95.342 -15.915 -3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 94 94.928 -15.719 -2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 94 92.982 -17.280 -2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 94 93.394 -17.475 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 94.320 -19.267 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 95.572 -18.344 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 95.172 -18.155 -1.880 1.00 0.00 H new ATOM 1485 N GLU A 95 97.097 -12.783 -2.323 1.00 0.00 N ATOM 1486 CA GLU A 95 98.455 -12.197 -2.479 1.00 0.00 C ATOM 1487 C GLU A 95 99.130 -12.782 -3.722 1.00 0.00 C ATOM 1488 O GLU A 95 99.251 -13.981 -3.873 1.00 0.00 O ATOM 1489 CB GLU A 95 99.284 -12.508 -1.221 1.00 0.00 C ATOM 1490 CG GLU A 95 100.065 -13.812 -1.403 1.00 0.00 C ATOM 1491 CD GLU A 95 100.646 -14.251 -0.058 1.00 0.00 C ATOM 1492 OE1 GLU A 95 100.768 -13.408 0.816 1.00 0.00 O ATOM 1493 OE2 GLU A 95 100.960 -15.422 0.075 1.00 0.00 O ATOM 0 H GLU A 95 97.056 -13.654 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 95 98.381 -11.116 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 95 99.974 -11.688 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 95 98.626 -12.589 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.410 -14.588 -1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 95 100.866 -13.670 -2.128 1.00 0.00 H new ATOM 1500 N LYS A 96 99.581 -11.939 -4.609 1.00 0.00 N ATOM 1501 CA LYS A 96 100.265 -12.439 -5.834 1.00 0.00 C ATOM 1502 C LYS A 96 101.745 -12.080 -5.737 1.00 0.00 C ATOM 1503 O LYS A 96 102.121 -10.935 -5.855 1.00 0.00 O ATOM 1504 CB LYS A 96 99.655 -11.767 -7.067 1.00 0.00 C ATOM 1505 CG LYS A 96 100.081 -12.523 -8.326 1.00 0.00 C ATOM 1506 CD LYS A 96 99.501 -11.829 -9.560 1.00 0.00 C ATOM 1507 CE LYS A 96 99.687 -12.726 -10.785 1.00 0.00 C ATOM 1508 NZ LYS A 96 99.013 -14.034 -10.550 1.00 0.00 N ATOM 0 H LYS A 96 99.505 -10.924 -4.538 1.00 0.00 H new ATOM 0 HA LYS A 96 100.145 -13.519 -5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 96 98.568 -11.756 -6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 96 99.981 -10.729 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 96 101.168 -12.557 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 96 99.733 -13.555 -8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 96 98.442 -11.618 -9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 96 99.997 -10.871 -9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 96 99.270 -12.244 -11.669 1.00 0.00 H new ATOM 0 HE3 LYS A 96 100.749 -12.881 -10.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 98.556 -14.352 -11.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 99.717 -14.739 -10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 98.295 -13.926 -9.805 1.00 0.00 H new ATOM 1522 N ARG A 97 102.587 -13.047 -5.514 1.00 0.00 N ATOM 1523 CA ARG A 97 104.041 -12.747 -5.396 1.00 0.00 C ATOM 1524 C ARG A 97 104.642 -12.500 -6.778 1.00 0.00 C ATOM 1525 O ARG A 97 104.804 -13.409 -7.568 1.00 0.00 O ATOM 1526 CB ARG A 97 104.756 -13.932 -4.739 1.00 0.00 C ATOM 1527 CG ARG A 97 106.270 -13.792 -4.937 1.00 0.00 C ATOM 1528 CD ARG A 97 107.004 -14.674 -3.925 1.00 0.00 C ATOM 1529 NE ARG A 97 106.385 -16.029 -3.905 1.00 0.00 N ATOM 1530 CZ ARG A 97 106.931 -16.985 -3.205 1.00 0.00 C ATOM 1531 NH1 ARG A 97 108.019 -16.755 -2.522 1.00 0.00 N ATOM 1532 NH2 ARG A 97 106.389 -18.172 -3.188 1.00 0.00 N ATOM 0 H ARG A 97 102.334 -14.029 -5.408 1.00 0.00 H new ATOM 0 HA ARG A 97 104.169 -11.853 -4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 97 104.520 -13.968 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 97 104.407 -14.868 -5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 97 106.542 -14.082 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 97 106.569 -12.751 -4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 97 108.059 -14.748 -4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 97 106.955 -14.225 -2.933 1.00 0.00 H new ATOM 0 HE ARG A 97 105.535 -16.209 -4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 97 108.443 -15.827 -2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 97 108.445 -17.503 -1.975 1.00 0.00 H new ATOM 0 HH21 ARG A 97 105.539 -18.352 -3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 97 106.816 -18.920 -2.641 1.00 0.00 H new ATOM 1546 N GLN A 98 104.998 -11.275 -7.065 1.00 0.00 N ATOM 1547 CA GLN A 98 105.619 -10.962 -8.386 1.00 0.00 C ATOM 1548 C GLN A 98 107.019 -10.391 -8.136 1.00 0.00 C ATOM 1549 O GLN A 98 107.350 -10.021 -7.032 1.00 0.00 O ATOM 1550 CB GLN A 98 104.752 -9.932 -9.129 1.00 0.00 C ATOM 1551 CG GLN A 98 104.088 -10.590 -10.344 1.00 0.00 C ATOM 1552 CD GLN A 98 103.327 -9.533 -11.145 1.00 0.00 C ATOM 1553 OE1 GLN A 98 103.042 -8.463 -10.644 1.00 0.00 O ATOM 1554 NE2 GLN A 98 102.984 -9.788 -12.378 1.00 0.00 N ATOM 0 H GLN A 98 104.885 -10.477 -6.440 1.00 0.00 H new ATOM 0 HA GLN A 98 105.691 -11.862 -8.997 1.00 0.00 H new ATOM 0 HB2 GLN A 98 103.990 -9.533 -8.459 1.00 0.00 H new ATOM 0 HB3 GLN A 98 105.366 -9.091 -9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 98 104.843 -11.064 -10.972 1.00 0.00 H new ATOM 0 HG3 GLN A 98 103.406 -11.375 -10.018 1.00 0.00 H new ATOM 0 HE21 GLN A 98 103.223 -10.686 -12.799 1.00 0.00 H new ATOM 0 HE22 GLN A 98 102.477 -9.089 -12.921 1.00 0.00 H new ATOM 1563 N ASN A 99 107.840 -10.316 -9.148 1.00 0.00 N ATOM 1564 CA ASN A 99 109.217 -9.758 -8.966 1.00 0.00 C ATOM 1565 C ASN A 99 109.455 -8.699 -10.032 1.00 0.00 C ATOM 1566 O ASN A 99 109.617 -9.002 -11.197 1.00 0.00 O ATOM 1567 CB ASN A 99 110.248 -10.878 -9.115 1.00 0.00 C ATOM 1568 CG ASN A 99 109.976 -11.655 -10.404 1.00 0.00 C ATOM 1569 OD1 ASN A 99 108.843 -11.971 -10.709 1.00 0.00 O ATOM 1570 ND2 ASN A 99 110.974 -11.979 -11.180 1.00 0.00 N ATOM 0 H ASN A 99 107.619 -10.617 -10.097 1.00 0.00 H new ATOM 0 HA ASN A 99 109.313 -9.317 -7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 99 111.254 -10.460 -9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 99 110.199 -11.548 -8.257 1.00 0.00 H new ATOM 0 HD21 ASN A 99 110.803 -12.497 -12.042 1.00 0.00 H new ATOM 0 HD22 ASN A 99 111.925 -11.714 -10.925 1.00 0.00 H new ATOM 1577 N LYS A 100 109.479 -7.458 -9.641 1.00 0.00 N ATOM 1578 CA LYS A 100 109.699 -6.368 -10.630 1.00 0.00 C ATOM 1579 C LYS A 100 110.255 -5.145 -9.907 1.00 0.00 C ATOM 1580 O LYS A 100 110.055 -4.971 -8.722 1.00 0.00 O ATOM 1581 CB LYS A 100 108.367 -5.993 -11.303 1.00 0.00 C ATOM 1582 CG LYS A 100 107.461 -7.224 -11.425 1.00 0.00 C ATOM 1583 CD LYS A 100 106.132 -6.820 -12.070 1.00 0.00 C ATOM 1584 CE LYS A 100 105.550 -8.006 -12.848 1.00 0.00 C ATOM 1585 NZ LYS A 100 105.938 -9.279 -12.179 1.00 0.00 N ATOM 0 H LYS A 100 109.355 -7.150 -8.677 1.00 0.00 H new ATOM 0 HA LYS A 100 110.403 -6.707 -11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 100 107.864 -5.220 -10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 100 108.557 -5.575 -12.291 1.00 0.00 H new ATOM 0 HG2 LYS A 100 107.950 -7.991 -12.026 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.283 -7.656 -10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 100 105.429 -6.496 -11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.285 -5.974 -12.740 1.00 0.00 H new ATOM 0 HE2 LYS A 100 104.464 -7.925 -12.896 1.00 0.00 H new ATOM 0 HE3 LYS A 100 105.917 -7.996 -13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 105.264 -10.027 -12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 106.894 -9.553 -12.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 105.927 -9.146 -11.148 1.00 0.00 H new ATOM 1599 N SER A 101 110.938 -4.288 -10.611 1.00 0.00 N ATOM 1600 CA SER A 101 111.490 -3.071 -9.957 1.00 0.00 C ATOM 1601 C SER A 101 110.375 -2.034 -9.894 1.00 0.00 C ATOM 1602 O SER A 101 109.870 -1.601 -10.905 1.00 0.00 O ATOM 1603 CB SER A 101 112.664 -2.530 -10.776 1.00 0.00 C ATOM 1604 OG SER A 101 113.303 -3.609 -11.447 1.00 0.00 O ATOM 0 H SER A 101 111.137 -4.377 -11.607 1.00 0.00 H new ATOM 0 HA SER A 101 111.850 -3.303 -8.955 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.310 -1.795 -11.499 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.373 -2.020 -10.124 1.00 0.00 H new ATOM 0 HG SER A 101 114.055 -3.267 -11.974 1.00 0.00 H new ATOM 1610 N TYR A 102 109.959 -1.657 -8.718 1.00 0.00 N ATOM 1611 CA TYR A 102 108.843 -0.681 -8.607 1.00 0.00 C ATOM 1612 C TYR A 102 109.373 0.710 -8.334 1.00 0.00 C ATOM 1613 O TYR A 102 110.561 0.942 -8.323 1.00 0.00 O ATOM 1614 CB TYR A 102 107.963 -1.083 -7.433 1.00 0.00 C ATOM 1615 CG TYR A 102 108.846 -1.391 -6.239 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.710 -0.415 -5.709 1.00 0.00 C ATOM 1617 CD2 TYR A 102 108.801 -2.658 -5.661 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.516 -0.719 -4.607 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.604 -2.955 -4.558 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.461 -1.988 -4.031 1.00 0.00 C ATOM 1621 OH TYR A 102 111.258 -2.292 -2.947 1.00 0.00 O ATOM 0 H TYR A 102 110.343 -1.982 -7.831 1.00 0.00 H new ATOM 0 HA TYR A 102 108.285 -0.679 -9.544 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.268 -0.279 -7.190 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.363 -1.955 -7.693 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.751 0.569 -6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.143 -3.412 -6.067 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.181 0.029 -4.202 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.562 -3.937 -4.111 1.00 0.00 H new ATOM 0 HH TYR A 102 110.811 -2.964 -2.391 1.00 0.00 H new ATOM 1631 N VAL A 103 108.481 1.628 -8.087 1.00 0.00 N ATOM 1632 CA VAL A 103 108.892 3.021 -7.780 1.00 0.00 C ATOM 1633 C VAL A 103 108.171 3.489 -6.537 1.00 0.00 C ATOM 1634 O VAL A 103 106.979 3.720 -6.544 1.00 0.00 O ATOM 1635 CB VAL A 103 108.519 3.933 -8.932 1.00 0.00 C ATOM 1636 CG1 VAL A 103 109.533 5.080 -9.047 1.00 0.00 C ATOM 1637 CG2 VAL A 103 108.499 3.103 -10.205 1.00 0.00 C ATOM 0 H VAL A 103 107.474 1.468 -8.085 1.00 0.00 H new ATOM 0 HA VAL A 103 109.970 3.050 -7.624 1.00 0.00 H new ATOM 0 HB VAL A 103 107.536 4.374 -8.764 1.00 0.00 H new ATOM 0 HG11 VAL A 103 109.256 5.729 -9.878 1.00 0.00 H new ATOM 0 HG12 VAL A 103 109.537 5.656 -8.122 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.527 4.670 -9.223 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.233 3.738 -11.050 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.485 2.671 -10.373 1.00 0.00 H new ATOM 0 HG23 VAL A 103 107.765 2.304 -10.107 1.00 0.00 H new ATOM 1647 N VAL A 104 108.889 3.650 -5.478 1.00 0.00 N ATOM 1648 CA VAL A 104 108.256 4.129 -4.224 1.00 0.00 C ATOM 1649 C VAL A 104 108.783 5.538 -3.932 1.00 0.00 C ATOM 1650 O VAL A 104 109.909 5.866 -4.252 1.00 0.00 O ATOM 1651 CB VAL A 104 108.557 3.149 -3.067 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.465 2.021 -3.557 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.236 3.873 -1.902 1.00 0.00 C ATOM 0 H VAL A 104 109.892 3.472 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 104 107.172 4.171 -4.330 1.00 0.00 H new ATOM 0 HB VAL A 104 107.610 2.734 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.671 1.336 -2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 104 108.970 1.480 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.402 2.441 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.438 3.163 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.174 4.311 -2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.581 4.661 -1.532 1.00 0.00 H new ATOM 1663 N ALA A 105 107.977 6.379 -3.341 1.00 0.00 N ATOM 1664 CA ALA A 105 108.434 7.764 -3.048 1.00 0.00 C ATOM 1665 C ALA A 105 109.044 7.799 -1.654 1.00 0.00 C ATOM 1666 O ALA A 105 108.919 6.858 -0.895 1.00 0.00 O ATOM 1667 CB ALA A 105 107.244 8.726 -3.116 1.00 0.00 C ATOM 0 H ALA A 105 107.023 6.165 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 105 109.179 8.069 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.583 9.739 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.807 8.694 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.495 8.430 -2.382 1.00 0.00 H new ATOM 1673 N CYS A 106 109.733 8.856 -1.317 1.00 0.00 N ATOM 1674 CA CYS A 106 110.376 8.907 0.035 1.00 0.00 C ATOM 1675 C CYS A 106 110.022 10.202 0.772 1.00 0.00 C ATOM 1676 O CYS A 106 109.723 11.214 0.169 1.00 0.00 O ATOM 1677 CB CYS A 106 111.898 8.811 -0.131 1.00 0.00 C ATOM 1678 SG CYS A 106 112.293 8.360 -1.837 1.00 0.00 S ATOM 0 H CYS A 106 109.879 9.676 -1.906 1.00 0.00 H new ATOM 0 HA CYS A 106 110.005 8.070 0.627 1.00 0.00 H new ATOM 0 HB2 CYS A 106 112.363 9.764 0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 106 112.303 8.068 0.556 1.00 0.00 H new ATOM 1683 N LYS A 107 110.052 10.169 2.085 1.00 0.00 N ATOM 1684 CA LYS A 107 109.717 11.385 2.874 1.00 0.00 C ATOM 1685 C LYS A 107 110.493 11.354 4.197 1.00 0.00 C ATOM 1686 O LYS A 107 110.651 10.310 4.795 1.00 0.00 O ATOM 1687 CB LYS A 107 108.208 11.364 3.155 1.00 0.00 C ATOM 1688 CG LYS A 107 107.878 12.009 4.512 1.00 0.00 C ATOM 1689 CD LYS A 107 106.520 12.723 4.440 1.00 0.00 C ATOM 1690 CE LYS A 107 105.473 11.811 3.787 1.00 0.00 C ATOM 1691 NZ LYS A 107 105.328 12.173 2.349 1.00 0.00 N ATOM 0 H LYS A 107 110.295 9.348 2.639 1.00 0.00 H new ATOM 0 HA LYS A 107 109.985 12.289 2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.682 11.894 2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.849 10.335 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.856 11.246 5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 107 108.658 12.720 4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 107 106.195 13.002 5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 107 106.616 13.646 3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 107 105.774 10.768 3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 107 104.516 11.914 4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 104.331 12.083 2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 105.641 13.154 2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 105.910 11.535 1.770 1.00 0.00 H new ATOM 1705 N PRO A 108 110.952 12.485 4.675 1.00 0.00 N ATOM 1706 CA PRO A 108 111.678 12.541 5.972 1.00 0.00 C ATOM 1707 C PRO A 108 110.796 11.988 7.108 1.00 0.00 C ATOM 1708 O PRO A 108 109.619 12.281 7.174 1.00 0.00 O ATOM 1709 CB PRO A 108 111.973 14.036 6.185 1.00 0.00 C ATOM 1710 CG PRO A 108 111.099 14.770 5.215 1.00 0.00 C ATOM 1711 CD PRO A 108 110.846 13.816 4.051 1.00 0.00 C ATOM 0 HA PRO A 108 112.587 11.939 5.968 1.00 0.00 H new ATOM 0 HB2 PRO A 108 111.755 14.335 7.210 1.00 0.00 H new ATOM 0 HB3 PRO A 108 113.025 14.256 6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 108 110.161 15.066 5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 108 111.584 15.683 4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 108 109.863 13.975 3.607 1.00 0.00 H new ATOM 0 HD3 PRO A 108 111.580 13.947 3.256 1.00 0.00 H new ATOM 1719 N PRO A 109 111.350 11.192 7.987 1.00 0.00 N ATOM 1720 CA PRO A 109 110.585 10.595 9.118 1.00 0.00 C ATOM 1721 C PRO A 109 109.682 11.625 9.807 1.00 0.00 C ATOM 1722 O PRO A 109 110.124 12.686 10.200 1.00 0.00 O ATOM 1723 CB PRO A 109 111.681 10.104 10.065 1.00 0.00 C ATOM 1724 CG PRO A 109 112.863 9.832 9.200 1.00 0.00 C ATOM 1725 CD PRO A 109 112.760 10.780 8.008 1.00 0.00 C ATOM 0 HA PRO A 109 109.910 9.804 8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 109 111.912 10.855 10.820 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.368 9.205 10.595 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.790 9.998 9.748 1.00 0.00 H new ATOM 0 HG3 PRO A 109 112.870 8.793 8.869 1.00 0.00 H new ATOM 0 HD2 PRO A 109 113.423 11.638 8.124 1.00 0.00 H new ATOM 0 HD3 PRO A 109 113.042 10.283 7.080 1.00 0.00 H new ATOM 1733 N GLN A 110 108.418 11.324 9.950 1.00 0.00 N ATOM 1734 CA GLN A 110 107.491 12.292 10.605 1.00 0.00 C ATOM 1735 C GLN A 110 107.820 12.384 12.094 1.00 0.00 C ATOM 1736 O GLN A 110 108.455 13.316 12.545 1.00 0.00 O ATOM 1737 CB GLN A 110 106.043 11.818 10.439 1.00 0.00 C ATOM 1738 CG GLN A 110 105.792 11.399 8.989 1.00 0.00 C ATOM 1739 CD GLN A 110 105.632 12.645 8.115 1.00 0.00 C ATOM 1740 OE1 GLN A 110 106.569 13.396 7.930 1.00 0.00 O ATOM 1741 NE2 GLN A 110 104.475 12.897 7.567 1.00 0.00 N ATOM 0 H GLN A 110 107.989 10.452 9.642 1.00 0.00 H new ATOM 0 HA GLN A 110 107.609 13.270 10.139 1.00 0.00 H new ATOM 0 HB2 GLN A 110 105.847 10.980 11.107 1.00 0.00 H new ATOM 0 HB3 GLN A 110 105.356 12.616 10.720 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.622 10.792 8.626 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.895 10.782 8.928 1.00 0.00 H new ATOM 0 HE21 GLN A 110 103.689 12.266 7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 110 104.357 13.725 6.983 1.00 0.00 H new ATOM 1750 N LYS A 111 107.391 11.417 12.857 1.00 0.00 N ATOM 1751 CA LYS A 111 107.667 11.426 14.320 1.00 0.00 C ATOM 1752 C LYS A 111 108.027 10.007 14.749 1.00 0.00 C ATOM 1753 O LYS A 111 108.881 9.797 15.588 1.00 0.00 O ATOM 1754 CB LYS A 111 106.420 11.891 15.091 1.00 0.00 C ATOM 1755 CG LYS A 111 105.649 12.943 14.281 1.00 0.00 C ATOM 1756 CD LYS A 111 106.410 14.277 14.291 1.00 0.00 C ATOM 1757 CE LYS A 111 105.850 15.185 15.390 1.00 0.00 C ATOM 1758 NZ LYS A 111 105.999 14.515 16.713 1.00 0.00 N ATOM 0 H LYS A 111 106.856 10.614 12.526 1.00 0.00 H new ATOM 0 HA LYS A 111 108.488 12.110 14.536 1.00 0.00 H new ATOM 0 HB2 LYS A 111 105.774 11.038 15.298 1.00 0.00 H new ATOM 0 HB3 LYS A 111 106.715 12.309 16.054 1.00 0.00 H new ATOM 0 HG2 LYS A 111 105.516 12.598 13.255 1.00 0.00 H new ATOM 0 HG3 LYS A 111 104.653 13.080 14.702 1.00 0.00 H new ATOM 0 HD2 LYS A 111 107.472 14.099 14.460 1.00 0.00 H new ATOM 0 HD3 LYS A 111 106.319 14.766 13.321 1.00 0.00 H new ATOM 0 HE2 LYS A 111 106.378 16.139 15.392 1.00 0.00 H new ATOM 0 HE3 LYS A 111 104.799 15.402 15.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 105.811 15.200 17.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 105.322 13.728 16.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 106.967 14.148 16.809 1.00 0.00 H new ATOM 1772 N LYS A 112 107.382 9.028 14.175 1.00 0.00 N ATOM 1773 CA LYS A 112 107.687 7.627 14.543 1.00 0.00 C ATOM 1774 C LYS A 112 109.147 7.326 14.199 1.00 0.00 C ATOM 1775 O LYS A 112 109.867 6.762 14.995 1.00 0.00 O ATOM 1776 CB LYS A 112 106.751 6.693 13.766 1.00 0.00 C ATOM 1777 CG LYS A 112 106.337 5.526 14.654 1.00 0.00 C ATOM 1778 CD LYS A 112 107.572 4.710 15.043 1.00 0.00 C ATOM 1779 CE LYS A 112 107.133 3.361 15.615 1.00 0.00 C ATOM 1780 NZ LYS A 112 106.376 3.580 16.879 1.00 0.00 N ATOM 0 H LYS A 112 106.657 9.144 13.467 1.00 0.00 H new ATOM 0 HA LYS A 112 107.537 7.474 15.612 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.869 7.240 13.434 1.00 0.00 H new ATOM 0 HB3 LYS A 112 107.252 6.322 12.872 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.838 5.897 15.549 1.00 0.00 H new ATOM 0 HG3 LYS A 112 105.622 4.893 14.129 1.00 0.00 H new ATOM 0 HD2 LYS A 112 108.209 4.558 14.172 1.00 0.00 H new ATOM 0 HD3 LYS A 112 108.163 5.254 15.779 1.00 0.00 H new ATOM 0 HE2 LYS A 112 106.511 2.833 14.893 1.00 0.00 H new ATOM 0 HE3 LYS A 112 108.004 2.733 15.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 106.239 2.670 17.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 106.910 4.224 17.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 105.449 3.999 16.661 1.00 0.00 H new ATOM 1794 N ASP A 113 109.588 7.711 13.023 1.00 0.00 N ATOM 1795 CA ASP A 113 111.011 7.460 12.620 1.00 0.00 C ATOM 1796 C ASP A 113 111.536 6.181 13.275 1.00 0.00 C ATOM 1797 O ASP A 113 111.917 6.173 14.429 1.00 0.00 O ATOM 1798 CB ASP A 113 111.874 8.647 13.057 1.00 0.00 C ATOM 1799 CG ASP A 113 113.206 8.617 12.305 1.00 0.00 C ATOM 1800 OD1 ASP A 113 113.647 7.532 11.963 1.00 0.00 O ATOM 1801 OD2 ASP A 113 113.762 9.680 12.084 1.00 0.00 O ATOM 0 H ASP A 113 109.022 8.190 12.323 1.00 0.00 H new ATOM 0 HA ASP A 113 111.057 7.343 11.537 1.00 0.00 H new ATOM 0 HB2 ASP A 113 111.352 9.583 12.856 1.00 0.00 H new ATOM 0 HB3 ASP A 113 112.051 8.605 14.132 1.00 0.00 H new ATOM 1806 N SER A 114 111.559 5.098 12.551 1.00 0.00 N ATOM 1807 CA SER A 114 112.052 3.827 13.146 1.00 0.00 C ATOM 1808 C SER A 114 113.515 3.973 13.567 1.00 0.00 C ATOM 1809 O SER A 114 114.029 3.172 14.323 1.00 0.00 O ATOM 1810 CB SER A 114 111.899 2.683 12.139 1.00 0.00 C ATOM 1811 OG SER A 114 111.024 1.701 12.679 1.00 0.00 O ATOM 0 H SER A 114 111.259 5.038 11.578 1.00 0.00 H new ATOM 0 HA SER A 114 111.458 3.597 14.031 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.503 3.062 11.197 1.00 0.00 H new ATOM 0 HB3 SER A 114 112.871 2.241 11.921 1.00 0.00 H new ATOM 0 HG SER A 114 110.921 0.967 12.038 1.00 0.00 H new ATOM 1817 N GLN A 115 114.194 4.985 13.104 1.00 0.00 N ATOM 1818 CA GLN A 115 115.615 5.150 13.514 1.00 0.00 C ATOM 1819 C GLN A 115 116.154 6.510 13.066 1.00 0.00 C ATOM 1820 O GLN A 115 116.661 7.265 13.868 1.00 0.00 O ATOM 1821 CB GLN A 115 116.469 4.032 12.900 1.00 0.00 C ATOM 1822 CG GLN A 115 115.936 3.667 11.515 1.00 0.00 C ATOM 1823 CD GLN A 115 116.899 2.690 10.839 1.00 0.00 C ATOM 1824 OE1 GLN A 115 117.957 3.078 10.385 1.00 0.00 O ATOM 1825 NE2 GLN A 115 116.576 1.428 10.752 1.00 0.00 N ATOM 0 H GLN A 115 113.832 5.696 12.468 1.00 0.00 H new ATOM 0 HA GLN A 115 115.667 5.094 14.601 1.00 0.00 H new ATOM 0 HB2 GLN A 115 117.507 4.356 12.825 1.00 0.00 H new ATOM 0 HB3 GLN A 115 116.454 3.155 13.547 1.00 0.00 H new ATOM 0 HG2 GLN A 115 114.947 3.218 11.601 1.00 0.00 H new ATOM 0 HG3 GLN A 115 115.827 4.565 10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 115 115.688 1.101 11.133 1.00 0.00 H new ATOM 0 HE22 GLN A 115 117.212 0.769 10.303 1.00 0.00 H new ATOM 1834 N GLN A 116 116.066 6.825 11.796 1.00 0.00 N ATOM 1835 CA GLN A 116 116.608 8.143 11.313 1.00 0.00 C ATOM 1836 C GLN A 116 116.803 8.126 9.791 1.00 0.00 C ATOM 1837 O GLN A 116 117.673 8.793 9.267 1.00 0.00 O ATOM 1838 CB GLN A 116 117.981 8.385 11.948 1.00 0.00 C ATOM 1839 CG GLN A 116 118.822 7.106 11.823 1.00 0.00 C ATOM 1840 CD GLN A 116 120.309 7.459 11.885 1.00 0.00 C ATOM 1841 OE1 GLN A 116 120.810 7.849 12.921 1.00 0.00 O ATOM 1842 NE2 GLN A 116 121.042 7.336 10.812 1.00 0.00 N ATOM 0 H GLN A 116 115.647 6.236 11.076 1.00 0.00 H new ATOM 0 HA GLN A 116 115.898 8.923 11.587 1.00 0.00 H new ATOM 0 HB2 GLN A 116 118.484 9.216 11.453 1.00 0.00 H new ATOM 0 HB3 GLN A 116 117.868 8.660 12.997 1.00 0.00 H new ATOM 0 HG2 GLN A 116 118.569 6.413 12.625 1.00 0.00 H new ATOM 0 HG3 GLN A 116 118.597 6.602 10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 116 120.622 7.009 9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 116 122.035 7.567 10.843 1.00 0.00 H new ATOM 1851 N PHE A 117 116.031 7.363 9.078 1.00 0.00 N ATOM 1852 CA PHE A 117 116.208 7.300 7.595 1.00 0.00 C ATOM 1853 C PHE A 117 116.412 8.697 7.002 1.00 0.00 C ATOM 1854 O PHE A 117 117.484 9.011 6.530 1.00 0.00 O ATOM 1855 CB PHE A 117 114.981 6.659 6.963 1.00 0.00 C ATOM 1856 CG PHE A 117 114.613 5.442 7.768 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.900 5.586 8.962 1.00 0.00 C ATOM 1858 CD2 PHE A 117 115.003 4.173 7.332 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.574 4.460 9.719 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.677 3.045 8.088 1.00 0.00 C ATOM 1861 CZ PHE A 117 113.962 3.186 9.281 1.00 0.00 C ATOM 0 H PHE A 117 115.284 6.778 9.452 1.00 0.00 H new ATOM 0 HA PHE A 117 117.095 6.703 7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 117 114.151 7.366 6.943 1.00 0.00 H new ATOM 0 HB3 PHE A 117 115.188 6.382 5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.602 6.568 9.298 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.556 4.065 6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 117 113.023 4.570 10.642 1.00 0.00 H new ATOM 0 HE2 PHE A 117 114.977 2.064 7.751 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.709 2.314 9.865 1.00 0.00 H new ATOM 1871 N HIS A 118 115.381 9.514 6.982 1.00 0.00 N ATOM 1872 CA HIS A 118 115.498 10.886 6.372 1.00 0.00 C ATOM 1873 C HIS A 118 114.999 10.784 4.937 1.00 0.00 C ATOM 1874 O HIS A 118 115.374 11.547 4.072 1.00 0.00 O ATOM 1875 CB HIS A 118 116.952 11.383 6.383 1.00 0.00 C ATOM 1876 CG HIS A 118 116.970 12.883 6.257 1.00 0.00 C ATOM 1877 ND1 HIS A 118 117.658 13.533 5.241 1.00 0.00 N ATOM 1878 CD2 HIS A 118 116.390 13.874 7.011 1.00 0.00 C ATOM 1879 CE1 HIS A 118 117.476 14.856 5.410 1.00 0.00 C ATOM 1880 NE2 HIS A 118 116.712 15.114 6.473 1.00 0.00 N ATOM 0 H HIS A 118 114.461 9.291 7.362 1.00 0.00 H new ATOM 0 HA HIS A 118 114.909 11.599 6.949 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.445 11.079 7.307 1.00 0.00 H new ATOM 0 HB3 HIS A 118 117.508 10.932 5.561 1.00 0.00 H new ATOM 0 HD2 HIS A 118 115.778 13.714 7.887 1.00 0.00 H new ATOM 0 HE1 HIS A 118 117.896 15.614 4.766 1.00 0.00 H new ATOM 0 HE2 HIS A 118 116.425 16.030 6.818 1.00 0.00 H new ATOM 1889 N LEU A 119 114.154 9.817 4.706 1.00 0.00 N ATOM 1890 CA LEU A 119 113.582 9.567 3.343 1.00 0.00 C ATOM 1891 C LEU A 119 112.871 8.218 3.396 1.00 0.00 C ATOM 1892 O LEU A 119 112.915 7.423 2.485 1.00 0.00 O ATOM 1893 CB LEU A 119 114.705 9.561 2.276 1.00 0.00 C ATOM 1894 CG LEU A 119 115.539 8.240 2.232 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.424 7.410 3.522 1.00 0.00 C ATOM 1896 CD2 LEU A 119 115.112 7.372 1.033 1.00 0.00 C ATOM 0 H LEU A 119 113.825 9.170 5.422 1.00 0.00 H new ATOM 0 HA LEU A 119 112.882 10.355 3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 119 114.260 9.729 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.378 10.396 2.468 1.00 0.00 H new ATOM 0 HG LEU A 119 116.581 8.543 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 119 116.026 6.506 3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.783 7.998 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.382 7.137 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.703 6.456 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 119 114.055 7.120 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 119 115.275 7.924 0.108 1.00 0.00 H new ATOM 1908 N VAL A 120 112.240 7.965 4.499 1.00 0.00 N ATOM 1909 CA VAL A 120 111.537 6.675 4.718 1.00 0.00 C ATOM 1910 C VAL A 120 110.729 6.273 3.479 1.00 0.00 C ATOM 1911 O VAL A 120 110.347 7.110 2.688 1.00 0.00 O ATOM 1912 CB VAL A 120 110.615 6.870 5.920 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.465 7.292 7.123 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.584 7.972 5.610 1.00 0.00 C ATOM 0 H VAL A 120 112.179 8.616 5.282 1.00 0.00 H new ATOM 0 HA VAL A 120 112.254 5.875 4.902 1.00 0.00 H new ATOM 0 HB VAL A 120 110.088 5.941 6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.821 7.436 7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 120 112.199 6.516 7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 120 111.980 8.225 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.928 8.109 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 120 110.103 8.907 5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 120 108.991 7.682 4.743 1.00 0.00 H new ATOM 1924 N PRO A 121 110.450 4.997 3.318 1.00 0.00 N ATOM 1925 CA PRO A 121 109.652 4.502 2.167 1.00 0.00 C ATOM 1926 C PRO A 121 108.189 4.848 2.409 1.00 0.00 C ATOM 1927 O PRO A 121 107.485 4.170 3.129 1.00 0.00 O ATOM 1928 CB PRO A 121 109.894 2.992 2.178 1.00 0.00 C ATOM 1929 CG PRO A 121 110.179 2.658 3.602 1.00 0.00 C ATOM 1930 CD PRO A 121 110.848 3.892 4.211 1.00 0.00 C ATOM 0 HA PRO A 121 109.923 4.938 1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.022 2.450 1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.731 2.722 1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.260 2.412 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 121 110.831 1.788 3.673 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.510 4.065 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 121 111.932 3.780 4.248 1.00 0.00 H new ATOM 1938 N VAL A 122 107.758 5.952 1.877 1.00 0.00 N ATOM 1939 CA VAL A 122 106.375 6.418 2.140 1.00 0.00 C ATOM 1940 C VAL A 122 105.375 5.910 1.098 1.00 0.00 C ATOM 1941 O VAL A 122 104.595 5.029 1.373 1.00 0.00 O ATOM 1942 CB VAL A 122 106.388 7.962 2.179 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.633 8.481 1.469 1.00 0.00 C ATOM 1944 CG2 VAL A 122 105.159 8.544 1.486 1.00 0.00 C ATOM 0 H VAL A 122 108.309 6.556 1.267 1.00 0.00 H new ATOM 0 HA VAL A 122 106.045 6.012 3.096 1.00 0.00 H new ATOM 0 HB VAL A 122 106.385 8.269 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.640 9.571 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.523 8.099 1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.627 8.145 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.198 9.632 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 122 105.143 8.224 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 122 104.258 8.192 1.988 1.00 0.00 H new ATOM 1954 N HIS A 123 105.333 6.500 -0.058 1.00 0.00 N ATOM 1955 CA HIS A 123 104.303 6.089 -1.058 1.00 0.00 C ATOM 1956 C HIS A 123 104.853 5.128 -2.108 1.00 0.00 C ATOM 1957 O HIS A 123 106.033 4.862 -2.190 1.00 0.00 O ATOM 1958 CB HIS A 123 103.784 7.348 -1.756 1.00 0.00 C ATOM 1959 CG HIS A 123 102.574 7.015 -2.584 1.00 0.00 C ATOM 1960 ND1 HIS A 123 101.303 6.925 -2.034 1.00 0.00 N ATOM 1961 CD2 HIS A 123 102.422 6.758 -3.924 1.00 0.00 C ATOM 1962 CE1 HIS A 123 100.450 6.625 -3.032 1.00 0.00 C ATOM 1963 NE2 HIS A 123 101.082 6.513 -4.201 1.00 0.00 N ATOM 0 H HIS A 123 105.961 7.246 -0.358 1.00 0.00 H new ATOM 0 HA HIS A 123 103.508 5.565 -0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.530 8.106 -1.015 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.564 7.770 -2.390 1.00 0.00 H new ATOM 0 HD1 HIS A 123 101.059 7.061 -1.053 1.00 0.00 H new ATOM 0 HD2 HIS A 123 103.221 6.748 -4.651 1.00 0.00 H new ATOM 0 HE1 HIS A 123 99.386 6.492 -2.902 1.00 0.00 H new ATOM 1972 N LEU A 124 103.966 4.629 -2.924 1.00 0.00 N ATOM 1973 CA LEU A 124 104.340 3.702 -4.021 1.00 0.00 C ATOM 1974 C LEU A 124 103.954 4.388 -5.332 1.00 0.00 C ATOM 1975 O LEU A 124 102.788 4.566 -5.620 1.00 0.00 O ATOM 1976 CB LEU A 124 103.555 2.396 -3.873 1.00 0.00 C ATOM 1977 CG LEU A 124 103.935 1.425 -5.012 1.00 0.00 C ATOM 1978 CD1 LEU A 124 104.871 0.333 -4.478 1.00 0.00 C ATOM 1979 CD2 LEU A 124 102.669 0.776 -5.598 1.00 0.00 C ATOM 0 H LEU A 124 102.968 4.834 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 124 105.405 3.471 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 124 103.770 1.939 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.484 2.600 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 124 104.445 1.986 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 124 105.135 -0.348 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 124 105.776 0.792 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 124 104.368 -0.222 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 124 102.948 0.093 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 124 102.148 0.223 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 124 102.012 1.551 -5.993 1.00 0.00 H new ATOM 1991 N ASP A 125 104.907 4.807 -6.116 1.00 0.00 N ATOM 1992 CA ASP A 125 104.548 5.512 -7.377 1.00 0.00 C ATOM 1993 C ASP A 125 104.014 4.513 -8.408 1.00 0.00 C ATOM 1994 O ASP A 125 103.052 4.785 -9.098 1.00 0.00 O ATOM 1995 CB ASP A 125 105.781 6.245 -7.922 1.00 0.00 C ATOM 1996 CG ASP A 125 105.503 7.751 -7.974 1.00 0.00 C ATOM 1997 OD1 ASP A 125 105.098 8.294 -6.960 1.00 0.00 O ATOM 1998 OD2 ASP A 125 105.699 8.333 -9.028 1.00 0.00 O ATOM 0 H ASP A 125 105.906 4.694 -5.942 1.00 0.00 H new ATOM 0 HA ASP A 125 103.764 6.242 -7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 125 106.645 6.046 -7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 125 106.025 5.876 -8.918 1.00 0.00 H new ATOM 2003 N ARG A 126 104.619 3.363 -8.523 1.00 0.00 N ATOM 2004 CA ARG A 126 104.119 2.371 -9.517 1.00 0.00 C ATOM 2005 C ARG A 126 104.965 1.103 -9.473 1.00 0.00 C ATOM 2006 O ARG A 126 105.900 0.992 -8.711 1.00 0.00 O ATOM 2007 CB ARG A 126 104.174 2.959 -10.932 1.00 0.00 C ATOM 2008 CG ARG A 126 105.461 3.775 -11.141 1.00 0.00 C ATOM 2009 CD ARG A 126 105.129 5.091 -11.853 1.00 0.00 C ATOM 2010 NE ARG A 126 104.427 6.004 -10.907 1.00 0.00 N ATOM 2011 CZ ARG A 126 103.735 7.011 -11.366 1.00 0.00 C ATOM 2012 NH1 ARG A 126 103.658 7.218 -12.652 1.00 0.00 N ATOM 2013 NH2 ARG A 126 103.120 7.810 -10.538 1.00 0.00 N ATOM 0 H ARG A 126 105.430 3.069 -7.978 1.00 0.00 H new ATOM 0 HA ARG A 126 103.087 2.129 -9.264 1.00 0.00 H new ATOM 0 HB2 ARG A 126 104.126 2.155 -11.666 1.00 0.00 H new ATOM 0 HB3 ARG A 126 103.305 3.595 -11.099 1.00 0.00 H new ATOM 0 HG2 ARG A 126 105.933 3.979 -10.180 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.175 3.201 -11.732 1.00 0.00 H new ATOM 0 HD2 ARG A 126 106.043 5.560 -12.218 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.501 4.898 -12.723 1.00 0.00 H new ATOM 0 HE ARG A 126 104.487 5.842 -9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 126 104.139 6.593 -13.299 1.00 0.00 H new ATOM 0 HH12 ARG A 126 103.117 8.005 -13.010 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.180 7.647 -9.533 1.00 0.00 H new ATOM 0 HH22 ARG A 126 102.579 8.597 -10.896 1.00 0.00 H new ATOM 2027 N VAL A 127 104.632 0.144 -10.293 1.00 0.00 N ATOM 2028 CA VAL A 127 105.403 -1.130 -10.324 1.00 0.00 C ATOM 2029 C VAL A 127 106.015 -1.302 -11.719 1.00 0.00 C ATOM 2030 O VAL A 127 105.357 -1.101 -12.720 1.00 0.00 O ATOM 2031 CB VAL A 127 104.464 -2.299 -10.007 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.204 -3.332 -9.156 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.258 -1.777 -9.223 1.00 0.00 C ATOM 0 H VAL A 127 103.852 0.190 -10.948 1.00 0.00 H new ATOM 0 HA VAL A 127 106.200 -1.109 -9.580 1.00 0.00 H new ATOM 0 HB VAL A 127 104.131 -2.761 -10.937 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.536 -4.163 -8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 127 106.071 -3.701 -9.704 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.533 -2.869 -8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.586 -2.605 -8.995 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.598 -1.319 -8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 127 102.729 -1.035 -9.821 1.00 0.00 H new ATOM 2043 N LEU A 128 107.272 -1.657 -11.792 1.00 0.00 N ATOM 2044 CA LEU A 128 107.934 -1.825 -13.120 1.00 0.00 C ATOM 2045 C LEU A 128 108.497 -3.244 -13.231 1.00 0.00 C ATOM 2046 O LEU A 128 109.517 -3.505 -12.615 1.00 0.00 O ATOM 2047 CB LEU A 128 109.076 -0.801 -13.243 1.00 0.00 C ATOM 2048 CG LEU A 128 108.979 -0.057 -14.580 1.00 0.00 C ATOM 2049 CD1 LEU A 128 107.896 1.021 -14.494 1.00 0.00 C ATOM 2050 CD2 LEU A 128 110.325 0.601 -14.890 1.00 0.00 C ATOM 2051 OXT LEU A 128 107.898 -4.045 -13.930 1.00 0.00 O ATOM 0 H LEU A 128 107.870 -1.838 -10.986 1.00 0.00 H new ATOM 0 HA LEU A 128 107.211 -1.663 -13.919 1.00 0.00 H new ATOM 0 HB2 LEU A 128 109.027 -0.090 -12.418 1.00 0.00 H new ATOM 0 HB3 LEU A 128 110.038 -1.308 -13.170 1.00 0.00 H new ATOM 0 HG LEU A 128 108.723 -0.763 -15.370 1.00 0.00 H new ATOM 0 HD11 LEU A 128 107.830 1.547 -15.446 1.00 0.00 H new ATOM 0 HD12 LEU A 128 106.936 0.555 -14.270 1.00 0.00 H new ATOM 0 HD13 LEU A 128 108.149 1.729 -13.705 1.00 0.00 H new ATOM 0 HD21 LEU A 128 110.261 1.131 -15.840 1.00 0.00 H new ATOM 0 HD22 LEU A 128 110.577 1.306 -14.097 1.00 0.00 H new ATOM 0 HD23 LEU A 128 111.098 -0.165 -14.954 1.00 0.00 H new