USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=40 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 -167:sc= -6.64! (180deg=-2.09) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -120:sc= 0.729 (180deg=0.0165) USER MOD Set 1.3: A 31 ASN :FLIP amide:sc= -14.1! C(o=-45!,f=-38!) USER MOD Set 1.4: A 41 ASN : amide:sc= -12.3! C(o=-38!,f=-46!) USER MOD Set 1.5: A 93 TYR OH : rot -2:sc= -6.1! USER MOD Set 2.1: A 84 THR OG1 : rot -46:sc= -0.187! USER MOD Set 2.2: A 85 SER OG : rot -100:sc= -0.555! USER MOD Set 3.1: A 17 GLN :FLIP amide:sc= -9.97! C(o=-20!,f=-16!) USER MOD Set 3.2: A 45 HIS :FLIP no HD1:sc= -0.793 X(o=-16,f=-16) USER MOD Set 3.3: A 79 THR OG1 : rot -150:sc= -4.76! USER MOD Set 4.1: A 15 HIS :FLIP no HE2:sc= -7.73! C(o=-11!,f=-7.3!) USER MOD Set 4.2: A 42 THR OG1 : rot 100:sc= 0.385 USER MOD Set 5.1: A 9 GLN :FLIP amide:sc=-0.00323 F(o=-0.57,f=0.17) USER MOD Set 5.2: A 12 LYS NZ :NH3+ -153:sc= 0.174 (180deg=-0.119) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -88:sc= -2.86! USER MOD Single : A 7 SER OG : rot 120:sc= -0.598 USER MOD Single : A 8 SER OG : rot 10:sc= -9.15! USER MOD Single : A 14 GLN : amide:sc= -11! C(o=-11!,f=-16!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -62:sc= 0.907 USER MOD Single : A 21 GLN : amide:sc= -0.653 X(o=-0.65,f=-0.2) USER MOD Single : A 24 ASN : amide:sc= -1.05 K(o=-1,f=-2.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0.019) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00907 USER MOD Single : A 35 LYS NZ :NH3+ 153:sc= -0.0954 (180deg=-0.615) USER MOD Single : A 38 LYS NZ :NH3+ -154:sc= -1.97! (180deg=-3.09!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 130:sc= -3.24! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.875 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.906! X(o=-0.91!,f=-0.75) USER MOD Single : A 67 LYS NZ :NH3+ -123:sc=-0.00314 (180deg=-0.237) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 70 HIS : +bothHN:sc= -15.3! C(o=-15!,f=-24!) USER MOD Single : A 71 GLN : amide:sc= -0.415 X(o=-0.41,f=-0.016) USER MOD Single : A 72 SER OG : rot 27:sc= 0.847 USER MOD Single : A 73 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-4.4!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.282 USER MOD Single : A 80 MET CE :methyl 149:sc= -0.233 (180deg=-2.21!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -121:sc= -0.988 (180deg=-2.65!) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.705 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.122) USER MOD Single : A 98 GLN : amide:sc= -0.459 K(o=-0.46,f=-9.2!) USER MOD Single : A 99 ASN : amide:sc= -1.98 K(o=-2,f=-5.4!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= -2.73! USER MOD Single : A 102 TYR OH : rot 150:sc= -1.37 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0985 K(o=-0.099,f=-1.7!) USER MOD Single : A 111 LYS NZ :NH3+ -161:sc= -0.153 (180deg=-1.08) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN :FLIP amide:sc= 1.87 F(o=-1.8!,f=1.9) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS :FLIP no HD1:sc= -0.325 F(o=-0.99,f=-0.32) USER MOD Single : A 123 HIS : no HE2:sc= -6.28! C(o=-6.3!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 85 N MET A 5 101.692 5.224 13.796 1.00 0.00 N ATOM 86 CA MET A 5 101.662 4.790 12.372 1.00 0.00 C ATOM 87 C MET A 5 102.444 5.791 11.520 1.00 0.00 C ATOM 88 O MET A 5 101.888 6.462 10.673 1.00 0.00 O ATOM 89 CB MET A 5 100.212 4.739 11.877 1.00 0.00 C ATOM 90 CG MET A 5 99.330 4.073 12.932 1.00 0.00 C ATOM 91 SD MET A 5 97.663 3.841 12.266 1.00 0.00 S ATOM 92 CE MET A 5 97.173 2.479 13.351 1.00 0.00 C ATOM 0 HA MET A 5 102.111 3.800 12.289 1.00 0.00 H new ATOM 0 HB2 MET A 5 99.852 5.747 11.672 1.00 0.00 H new ATOM 0 HB3 MET A 5 100.157 4.184 10.940 1.00 0.00 H new ATOM 0 HG2 MET A 5 99.754 3.112 13.222 1.00 0.00 H new ATOM 0 HG3 MET A 5 99.292 4.689 13.831 1.00 0.00 H new ATOM 0 HE1 MET A 5 96.156 2.170 13.110 1.00 0.00 H new ATOM 0 HE2 MET A 5 97.851 1.638 13.208 1.00 0.00 H new ATOM 0 HE3 MET A 5 97.216 2.807 14.389 1.00 0.00 H new ATOM 102 N THR A 6 103.731 5.891 11.726 1.00 0.00 N ATOM 103 CA THR A 6 104.544 6.840 10.913 1.00 0.00 C ATOM 104 C THR A 6 104.113 6.723 9.447 1.00 0.00 C ATOM 105 O THR A 6 103.503 5.752 9.052 1.00 0.00 O ATOM 106 CB THR A 6 106.031 6.482 11.052 1.00 0.00 C ATOM 107 OG1 THR A 6 106.534 7.028 12.263 1.00 0.00 O ATOM 108 CG2 THR A 6 106.826 7.050 9.874 1.00 0.00 C ATOM 0 H THR A 6 104.253 5.357 12.421 1.00 0.00 H new ATOM 0 HA THR A 6 104.391 7.862 11.260 1.00 0.00 H new ATOM 0 HB THR A 6 106.135 5.397 11.060 1.00 0.00 H new ATOM 0 HG1 THR A 6 106.851 7.942 12.103 1.00 0.00 H new ATOM 0 HG21 THR A 6 107.878 6.789 9.985 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.445 6.632 8.942 1.00 0.00 H new ATOM 0 HG23 THR A 6 106.722 8.135 9.854 1.00 0.00 H new ATOM 116 N SER A 7 104.419 7.697 8.635 1.00 0.00 N ATOM 117 CA SER A 7 104.015 7.613 7.201 1.00 0.00 C ATOM 118 C SER A 7 104.394 6.234 6.657 1.00 0.00 C ATOM 119 O SER A 7 103.558 5.484 6.193 1.00 0.00 O ATOM 120 CB SER A 7 104.740 8.696 6.402 1.00 0.00 C ATOM 121 OG SER A 7 104.151 8.802 5.113 1.00 0.00 O ATOM 0 H SER A 7 104.927 8.541 8.898 1.00 0.00 H new ATOM 0 HA SER A 7 102.939 7.761 7.111 1.00 0.00 H new ATOM 0 HB2 SER A 7 104.678 9.652 6.923 1.00 0.00 H new ATOM 0 HB3 SER A 7 105.798 8.451 6.312 1.00 0.00 H new ATOM 0 HG SER A 7 103.801 9.709 4.987 1.00 0.00 H new ATOM 127 N SER A 8 105.651 5.895 6.720 1.00 0.00 N ATOM 128 CA SER A 8 106.100 4.566 6.218 1.00 0.00 C ATOM 129 C SER A 8 105.440 3.454 7.023 1.00 0.00 C ATOM 130 O SER A 8 105.193 2.382 6.517 1.00 0.00 O ATOM 131 CB SER A 8 107.612 4.456 6.361 1.00 0.00 C ATOM 132 OG SER A 8 108.230 5.360 5.458 1.00 0.00 O ATOM 0 H SER A 8 106.391 6.485 7.100 1.00 0.00 H new ATOM 0 HA SER A 8 105.818 4.468 5.170 1.00 0.00 H new ATOM 0 HB2 SER A 8 107.911 4.683 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 8 107.936 3.436 6.153 1.00 0.00 H new ATOM 0 HG SER A 8 107.551 5.952 5.072 1.00 0.00 H new ATOM 138 N GLN A 9 105.154 3.689 8.268 1.00 0.00 N ATOM 139 CA GLN A 9 104.509 2.621 9.079 1.00 0.00 C ATOM 140 C GLN A 9 103.115 2.342 8.520 1.00 0.00 C ATOM 141 O GLN A 9 102.762 1.217 8.245 1.00 0.00 O ATOM 142 CB GLN A 9 104.405 3.075 10.532 1.00 0.00 C ATOM 143 CG GLN A 9 105.710 2.750 11.258 1.00 0.00 C ATOM 144 CD GLN A 9 105.708 1.282 11.690 1.00 0.00 C ATOM 145 OE1 GLN A 9 106.659 0.490 11.275 1.00 0.00 O flip ATOM 146 NE2 GLN A 9 104.832 0.851 12.413 1.00 0.00 N flip ATOM 0 H GLN A 9 105.336 4.565 8.758 1.00 0.00 H new ATOM 0 HA GLN A 9 105.107 1.711 9.034 1.00 0.00 H new ATOM 0 HB2 GLN A 9 104.208 4.146 10.577 1.00 0.00 H new ATOM 0 HB3 GLN A 9 103.569 2.576 11.022 1.00 0.00 H new ATOM 0 HG2 GLN A 9 106.560 2.945 10.604 1.00 0.00 H new ATOM 0 HG3 GLN A 9 105.823 3.395 12.129 1.00 0.00 H new ATOM 0 HE21 GLN A 9 104.089 1.469 12.738 1.00 0.00 H new ATOM 0 HE22 GLN A 9 104.840 -0.129 12.695 1.00 0.00 H new ATOM 155 N TRP A 10 102.322 3.357 8.335 1.00 0.00 N ATOM 156 CA TRP A 10 100.962 3.133 7.780 1.00 0.00 C ATOM 157 C TRP A 10 101.101 2.496 6.395 1.00 0.00 C ATOM 158 O TRP A 10 100.304 1.676 5.980 1.00 0.00 O ATOM 159 CB TRP A 10 100.226 4.483 7.685 1.00 0.00 C ATOM 160 CG TRP A 10 99.365 4.532 6.458 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.367 5.538 5.553 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.382 3.563 5.988 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.452 5.248 4.558 1.00 0.00 N ATOM 164 CE2 TRP A 10 97.821 4.041 4.780 1.00 0.00 C ATOM 165 CE3 TRP A 10 97.928 2.327 6.483 1.00 0.00 C ATOM 166 CZ2 TRP A 10 96.846 3.319 4.091 1.00 0.00 C ATOM 167 CZ3 TRP A 10 96.950 1.598 5.792 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.411 2.092 4.599 1.00 0.00 C ATOM 0 H TRP A 10 102.555 4.328 8.543 1.00 0.00 H new ATOM 0 HA TRP A 10 100.387 2.468 8.425 1.00 0.00 H new ATOM 0 HB2 TRP A 10 99.611 4.631 8.573 1.00 0.00 H new ATOM 0 HB3 TRP A 10 100.951 5.297 7.660 1.00 0.00 H new ATOM 0 HD1 TRP A 10 99.983 6.424 5.600 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.266 5.852 3.758 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.336 1.936 7.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.431 3.705 3.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.611 0.650 6.183 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.659 1.525 4.071 1.00 0.00 H new ATOM 179 N PHE A 11 102.114 2.873 5.680 1.00 0.00 N ATOM 180 CA PHE A 11 102.310 2.312 4.314 1.00 0.00 C ATOM 181 C PHE A 11 102.952 0.928 4.378 1.00 0.00 C ATOM 182 O PHE A 11 102.986 0.220 3.399 1.00 0.00 O ATOM 183 CB PHE A 11 103.172 3.260 3.471 1.00 0.00 C ATOM 184 CG PHE A 11 102.345 3.742 2.305 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.480 4.827 2.471 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.424 3.091 1.068 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.693 5.265 1.405 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.639 3.531 -0.001 1.00 0.00 C ATOM 189 CZ PHE A 11 100.771 4.617 0.166 1.00 0.00 C ATOM 0 H PHE A 11 102.819 3.547 5.979 1.00 0.00 H new ATOM 0 HA PHE A 11 101.332 2.210 3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.508 4.104 4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.065 2.746 3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.420 5.328 3.426 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.090 2.251 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 11 100.024 6.103 1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.702 3.033 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 11 100.162 4.955 -0.660 1.00 0.00 H new ATOM 199 N LYS A 12 103.442 0.513 5.509 1.00 0.00 N ATOM 200 CA LYS A 12 104.033 -0.851 5.575 1.00 0.00 C ATOM 201 C LYS A 12 102.894 -1.816 5.891 1.00 0.00 C ATOM 202 O LYS A 12 102.887 -2.954 5.497 1.00 0.00 O ATOM 203 CB LYS A 12 105.148 -0.913 6.639 1.00 0.00 C ATOM 204 CG LYS A 12 104.569 -1.089 8.053 1.00 0.00 C ATOM 205 CD LYS A 12 104.511 -2.574 8.435 1.00 0.00 C ATOM 206 CE LYS A 12 104.396 -2.707 9.956 1.00 0.00 C ATOM 207 NZ LYS A 12 105.731 -2.481 10.577 1.00 0.00 N ATOM 0 H LYS A 12 103.460 1.047 6.378 1.00 0.00 H new ATOM 0 HA LYS A 12 104.500 -1.122 4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 12 105.821 -1.741 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.742 0.000 6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.183 -0.547 8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.569 -0.658 8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 12 103.658 -3.051 7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.406 -3.086 8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 12 103.677 -1.984 10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 12 104.024 -3.698 10.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 105.784 -2.991 11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 106.474 -2.830 9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 105.868 -1.464 10.744 1.00 0.00 H new ATOM 221 N ILE A 13 101.894 -1.345 6.550 1.00 0.00 N ATOM 222 CA ILE A 13 100.728 -2.219 6.839 1.00 0.00 C ATOM 223 C ILE A 13 99.848 -2.203 5.596 1.00 0.00 C ATOM 224 O ILE A 13 99.022 -3.068 5.381 1.00 0.00 O ATOM 225 CB ILE A 13 99.953 -1.694 8.058 1.00 0.00 C ATOM 226 CG1 ILE A 13 99.909 -0.159 8.027 1.00 0.00 C ATOM 227 CG2 ILE A 13 100.642 -2.172 9.342 1.00 0.00 C ATOM 228 CD1 ILE A 13 99.615 0.403 9.425 1.00 0.00 C ATOM 0 H ILE A 13 101.825 -0.392 6.906 1.00 0.00 H new ATOM 0 HA ILE A 13 101.049 -3.234 7.074 1.00 0.00 H new ATOM 0 HB ILE A 13 98.932 -2.076 8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 13 100.861 0.230 7.666 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.143 0.174 7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 13 100.094 -1.801 10.208 1.00 0.00 H new ATOM 0 HG22 ILE A 13 100.658 -3.262 9.362 1.00 0.00 H new ATOM 0 HG23 ILE A 13 101.664 -1.793 9.369 1.00 0.00 H new ATOM 0 HD11 ILE A 13 99.588 1.492 9.381 1.00 0.00 H new ATOM 0 HD12 ILE A 13 98.651 0.030 9.772 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.397 0.087 10.116 1.00 0.00 H new ATOM 240 N GLN A 14 100.039 -1.208 4.772 1.00 0.00 N ATOM 241 CA GLN A 14 99.247 -1.087 3.520 1.00 0.00 C ATOM 242 C GLN A 14 100.091 -1.554 2.312 1.00 0.00 C ATOM 243 O GLN A 14 99.581 -1.706 1.220 1.00 0.00 O ATOM 244 CB GLN A 14 98.846 0.394 3.345 1.00 0.00 C ATOM 245 CG GLN A 14 99.479 0.979 2.088 1.00 0.00 C ATOM 246 CD GLN A 14 99.164 2.474 2.003 1.00 0.00 C ATOM 247 OE1 GLN A 14 99.454 3.221 2.916 1.00 0.00 O ATOM 248 NE2 GLN A 14 98.578 2.945 0.936 1.00 0.00 N ATOM 0 H GLN A 14 100.721 -0.464 4.918 1.00 0.00 H new ATOM 0 HA GLN A 14 98.356 -1.713 3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.761 0.477 3.284 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.161 0.967 4.217 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.558 0.825 2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 14 99.099 0.466 1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 14 98.334 2.318 0.169 1.00 0.00 H new ATOM 0 HE22 GLN A 14 98.364 3.940 0.869 1.00 0.00 H new ATOM 257 N HIS A 15 101.382 -1.730 2.479 1.00 0.00 N ATOM 258 CA HIS A 15 102.237 -2.115 1.308 1.00 0.00 C ATOM 259 C HIS A 15 103.463 -2.945 1.739 1.00 0.00 C ATOM 260 O HIS A 15 104.449 -2.997 1.030 1.00 0.00 O ATOM 261 CB HIS A 15 102.736 -0.817 0.650 1.00 0.00 C ATOM 262 CG HIS A 15 102.143 -0.654 -0.723 1.00 0.00 C ATOM 263 ND1 HIS A 15 100.873 -0.345 -1.143 1.00 0.00 N flip ATOM 264 CD2 HIS A 15 102.898 -0.801 -1.878 1.00 0.00 C flip ATOM 265 CE1 HIS A 15 100.841 -0.299 -2.531 1.00 0.00 C flip ATOM 266 NE2 HIS A 15 102.082 -0.581 -2.926 1.00 0.00 N flip ATOM 0 H HIS A 15 101.876 -1.625 3.365 1.00 0.00 H new ATOM 0 HA HIS A 15 101.643 -2.722 0.625 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.468 0.038 1.271 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.824 -0.833 0.582 1.00 0.00 H new ATOM 0 HD1 HIS A 15 100.076 -0.175 -0.530 1.00 0.00 H new ATOM 0 HD2 HIS A 15 103.948 -1.047 -1.927 1.00 0.00 H new ATOM 0 HE1 HIS A 15 99.989 -0.081 -3.158 1.00 0.00 H new ATOM 275 N MET A 16 103.431 -3.589 2.872 1.00 0.00 N ATOM 276 CA MET A 16 104.625 -4.396 3.296 1.00 0.00 C ATOM 277 C MET A 16 104.430 -5.864 2.924 1.00 0.00 C ATOM 278 O MET A 16 103.428 -6.468 3.249 1.00 0.00 O ATOM 279 CB MET A 16 104.841 -4.287 4.818 1.00 0.00 C ATOM 280 CG MET A 16 103.857 -5.197 5.569 1.00 0.00 C ATOM 281 SD MET A 16 104.524 -6.880 5.660 1.00 0.00 S ATOM 282 CE MET A 16 105.058 -6.830 7.389 1.00 0.00 C ATOM 0 H MET A 16 102.644 -3.597 3.520 1.00 0.00 H new ATOM 0 HA MET A 16 105.500 -4.001 2.780 1.00 0.00 H new ATOM 0 HB2 MET A 16 105.865 -4.566 5.067 1.00 0.00 H new ATOM 0 HB3 MET A 16 104.706 -3.254 5.137 1.00 0.00 H new ATOM 0 HG2 MET A 16 103.683 -4.810 6.573 1.00 0.00 H new ATOM 0 HG3 MET A 16 102.893 -5.205 5.060 1.00 0.00 H new ATOM 0 HE1 MET A 16 105.507 -7.786 7.659 1.00 0.00 H new ATOM 0 HE2 MET A 16 105.792 -6.035 7.520 1.00 0.00 H new ATOM 0 HE3 MET A 16 104.197 -6.639 8.030 1.00 0.00 H new ATOM 292 N GLN A 17 105.394 -6.450 2.262 1.00 0.00 N ATOM 293 CA GLN A 17 105.277 -7.887 1.895 1.00 0.00 C ATOM 294 C GLN A 17 106.222 -8.761 2.751 1.00 0.00 C ATOM 295 O GLN A 17 106.114 -9.971 2.721 1.00 0.00 O ATOM 296 CB GLN A 17 105.610 -8.081 0.416 1.00 0.00 C ATOM 297 CG GLN A 17 105.036 -9.421 -0.054 1.00 0.00 C ATOM 298 CD GLN A 17 105.838 -9.932 -1.251 1.00 0.00 C ATOM 299 OE1 GLN A 17 106.174 -9.100 -2.200 1.00 0.00 O flip ATOM 300 NE2 GLN A 17 106.163 -11.100 -1.325 1.00 0.00 N flip ATOM 0 H GLN A 17 106.255 -5.994 1.961 1.00 0.00 H new ATOM 0 HA GLN A 17 104.249 -8.197 2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 17 105.192 -7.265 -0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.690 -8.061 0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.072 -10.148 0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.988 -9.302 -0.330 1.00 0.00 H new ATOM 0 HE21 GLN A 17 105.901 -11.750 -0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.698 -11.431 -2.128 1.00 0.00 H new ATOM 309 N PRO A 18 107.136 -8.193 3.521 1.00 0.00 N ATOM 310 CA PRO A 18 108.051 -9.008 4.363 1.00 0.00 C ATOM 311 C PRO A 18 107.318 -10.187 5.006 1.00 0.00 C ATOM 312 O PRO A 18 107.892 -11.232 5.237 1.00 0.00 O ATOM 313 CB PRO A 18 108.538 -8.017 5.421 1.00 0.00 C ATOM 314 CG PRO A 18 108.534 -6.694 4.730 1.00 0.00 C ATOM 315 CD PRO A 18 107.407 -6.751 3.689 1.00 0.00 C ATOM 0 HA PRO A 18 108.865 -9.454 3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 18 107.881 -8.012 6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 18 109.536 -8.275 5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 18 108.365 -5.885 5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 18 109.495 -6.503 4.252 1.00 0.00 H new ATOM 0 HD2 PRO A 18 106.521 -6.217 4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.711 -6.291 2.749 1.00 0.00 H new ATOM 323 N SER A 19 106.046 -10.028 5.279 1.00 0.00 N ATOM 324 CA SER A 19 105.264 -11.142 5.892 1.00 0.00 C ATOM 325 C SER A 19 103.950 -10.607 6.479 1.00 0.00 C ATOM 326 O SER A 19 103.685 -10.761 7.654 1.00 0.00 O ATOM 327 CB SER A 19 106.087 -11.801 7.005 1.00 0.00 C ATOM 328 OG SER A 19 105.211 -12.374 7.967 1.00 0.00 O ATOM 0 H SER A 19 105.517 -9.174 5.103 1.00 0.00 H new ATOM 0 HA SER A 19 105.037 -11.878 5.120 1.00 0.00 H new ATOM 0 HB2 SER A 19 106.736 -12.570 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 19 106.733 -11.063 7.480 1.00 0.00 H new ATOM 0 HG SER A 19 104.670 -11.668 8.379 1.00 0.00 H new ATOM 334 N PRO A 20 103.120 -10.000 5.668 1.00 0.00 N ATOM 335 CA PRO A 20 101.811 -9.466 6.133 1.00 0.00 C ATOM 336 C PRO A 20 100.853 -10.614 6.467 1.00 0.00 C ATOM 337 O PRO A 20 101.277 -11.728 6.709 1.00 0.00 O ATOM 338 CB PRO A 20 101.296 -8.637 4.943 1.00 0.00 C ATOM 339 CG PRO A 20 101.994 -9.185 3.743 1.00 0.00 C ATOM 340 CD PRO A 20 103.334 -9.754 4.234 1.00 0.00 C ATOM 0 HA PRO A 20 101.895 -8.870 7.042 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.214 -8.725 4.842 1.00 0.00 H new ATOM 0 HB3 PRO A 20 101.518 -7.578 5.077 1.00 0.00 H new ATOM 0 HG2 PRO A 20 101.395 -9.961 3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 20 102.154 -8.405 2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 20 103.593 -10.672 3.707 1.00 0.00 H new ATOM 0 HD3 PRO A 20 104.150 -9.050 4.068 1.00 0.00 H new ATOM 348 N GLN A 21 99.576 -10.364 6.476 1.00 0.00 N ATOM 349 CA GLN A 21 98.602 -11.452 6.785 1.00 0.00 C ATOM 350 C GLN A 21 97.749 -11.703 5.543 1.00 0.00 C ATOM 351 O GLN A 21 96.543 -11.569 5.565 1.00 0.00 O ATOM 352 CB GLN A 21 97.711 -11.021 7.955 1.00 0.00 C ATOM 353 CG GLN A 21 98.412 -11.339 9.278 1.00 0.00 C ATOM 354 CD GLN A 21 98.370 -12.847 9.529 1.00 0.00 C ATOM 355 OE1 GLN A 21 99.372 -13.447 9.864 1.00 0.00 O ATOM 356 NE2 GLN A 21 97.244 -13.490 9.382 1.00 0.00 N ATOM 0 H GLN A 21 99.161 -9.453 6.283 1.00 0.00 H new ATOM 0 HA GLN A 21 99.128 -12.365 7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 21 97.500 -9.953 7.891 1.00 0.00 H new ATOM 0 HB3 GLN A 21 96.753 -11.539 7.906 1.00 0.00 H new ATOM 0 HG2 GLN A 21 99.445 -10.994 9.246 1.00 0.00 H new ATOM 0 HG3 GLN A 21 97.924 -10.810 10.097 1.00 0.00 H new ATOM 0 HE21 GLN A 21 96.402 -12.987 9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 21 97.205 -14.496 9.548 1.00 0.00 H new ATOM 365 N ALA A 22 98.375 -12.046 4.451 1.00 0.00 N ATOM 366 CA ALA A 22 97.613 -12.282 3.195 1.00 0.00 C ATOM 367 C ALA A 22 97.059 -10.953 2.716 1.00 0.00 C ATOM 368 O ALA A 22 96.420 -10.239 3.464 1.00 0.00 O ATOM 369 CB ALA A 22 96.440 -13.233 3.449 1.00 0.00 C ATOM 0 H ALA A 22 99.384 -12.173 4.375 1.00 0.00 H new ATOM 0 HA ALA A 22 98.276 -12.725 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 22 95.894 -13.394 2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 22 96.818 -14.187 3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 22 95.772 -12.796 4.191 1.00 0.00 H new ATOM 375 N CYS A 23 97.273 -10.608 1.481 1.00 0.00 N ATOM 376 CA CYS A 23 96.720 -9.322 0.996 1.00 0.00 C ATOM 377 C CYS A 23 95.276 -9.229 1.442 1.00 0.00 C ATOM 378 O CYS A 23 94.764 -8.169 1.723 1.00 0.00 O ATOM 379 CB CYS A 23 96.764 -9.275 -0.511 1.00 0.00 C ATOM 380 SG CYS A 23 98.445 -9.644 -1.064 1.00 0.00 S ATOM 0 H CYS A 23 97.799 -11.152 0.797 1.00 0.00 H new ATOM 0 HA CYS A 23 97.307 -8.496 1.398 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.063 -9.997 -0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.459 -8.291 -0.866 1.00 0.00 H new ATOM 385 N ASN A 24 94.611 -10.342 1.518 1.00 0.00 N ATOM 386 CA ASN A 24 93.201 -10.305 1.967 1.00 0.00 C ATOM 387 C ASN A 24 93.137 -9.543 3.293 1.00 0.00 C ATOM 388 O ASN A 24 92.375 -8.613 3.448 1.00 0.00 O ATOM 389 CB ASN A 24 92.681 -11.733 2.157 1.00 0.00 C ATOM 390 CG ASN A 24 91.339 -11.699 2.891 1.00 0.00 C ATOM 391 OD1 ASN A 24 91.286 -11.424 4.073 1.00 0.00 O ATOM 392 ND2 ASN A 24 90.243 -11.969 2.235 1.00 0.00 N ATOM 0 H ASN A 24 94.979 -11.266 1.291 1.00 0.00 H new ATOM 0 HA ASN A 24 92.581 -9.806 1.222 1.00 0.00 H new ATOM 0 HB2 ASN A 24 92.565 -12.220 1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 24 93.402 -12.321 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 24 89.343 -11.949 2.715 1.00 0.00 H new ATOM 0 HD22 ASN A 24 90.286 -12.200 1.242 1.00 0.00 H new ATOM 399 N SER A 25 93.950 -9.921 4.245 1.00 0.00 N ATOM 400 CA SER A 25 93.941 -9.216 5.562 1.00 0.00 C ATOM 401 C SER A 25 94.805 -7.952 5.484 1.00 0.00 C ATOM 402 O SER A 25 94.500 -6.934 6.080 1.00 0.00 O ATOM 403 CB SER A 25 94.486 -10.150 6.644 1.00 0.00 C ATOM 404 OG SER A 25 93.749 -9.956 7.844 1.00 0.00 O ATOM 0 H SER A 25 94.619 -10.687 4.168 1.00 0.00 H new ATOM 0 HA SER A 25 92.919 -8.931 5.811 1.00 0.00 H new ATOM 0 HB2 SER A 25 94.408 -11.187 6.319 1.00 0.00 H new ATOM 0 HB3 SER A 25 95.543 -9.949 6.816 1.00 0.00 H new ATOM 0 HG SER A 25 94.094 -10.554 8.540 1.00 0.00 H new ATOM 410 N ALA A 26 95.872 -7.997 4.742 1.00 0.00 N ATOM 411 CA ALA A 26 96.734 -6.791 4.620 1.00 0.00 C ATOM 412 C ALA A 26 95.860 -5.646 4.158 1.00 0.00 C ATOM 413 O ALA A 26 95.951 -4.532 4.632 1.00 0.00 O ATOM 414 CB ALA A 26 97.816 -7.047 3.583 1.00 0.00 C ATOM 0 H ALA A 26 96.185 -8.813 4.216 1.00 0.00 H new ATOM 0 HA ALA A 26 97.204 -6.557 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.449 -6.164 3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.423 -7.898 3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.353 -7.262 2.620 1.00 0.00 H new ATOM 420 N MET A 27 94.999 -5.934 3.237 1.00 0.00 N ATOM 421 CA MET A 27 94.088 -4.898 2.726 1.00 0.00 C ATOM 422 C MET A 27 93.031 -4.618 3.784 1.00 0.00 C ATOM 423 O MET A 27 92.560 -3.514 3.922 1.00 0.00 O ATOM 424 CB MET A 27 93.413 -5.403 1.459 1.00 0.00 C ATOM 425 CG MET A 27 92.634 -4.253 0.812 1.00 0.00 C ATOM 426 SD MET A 27 93.340 -3.881 -0.810 1.00 0.00 S ATOM 427 CE MET A 27 92.141 -2.614 -1.277 1.00 0.00 C ATOM 0 H MET A 27 94.888 -6.855 2.813 1.00 0.00 H new ATOM 0 HA MET A 27 94.643 -3.987 2.501 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.159 -5.789 0.764 1.00 0.00 H new ATOM 0 HB3 MET A 27 92.740 -6.227 1.695 1.00 0.00 H new ATOM 0 HG2 MET A 27 91.583 -4.524 0.709 1.00 0.00 H new ATOM 0 HG3 MET A 27 92.674 -3.369 1.449 1.00 0.00 H new ATOM 0 HE1 MET A 27 92.237 -2.396 -2.341 1.00 0.00 H new ATOM 0 HE2 MET A 27 91.133 -2.973 -1.070 1.00 0.00 H new ATOM 0 HE3 MET A 27 92.328 -1.707 -0.703 1.00 0.00 H new ATOM 437 N LYS A 28 92.655 -5.616 4.536 1.00 0.00 N ATOM 438 CA LYS A 28 91.619 -5.390 5.586 1.00 0.00 C ATOM 439 C LYS A 28 92.036 -4.207 6.457 1.00 0.00 C ATOM 440 O LYS A 28 91.206 -3.474 6.957 1.00 0.00 O ATOM 441 CB LYS A 28 91.462 -6.637 6.464 1.00 0.00 C ATOM 442 CG LYS A 28 90.669 -7.720 5.719 1.00 0.00 C ATOM 443 CD LYS A 28 89.233 -7.246 5.430 1.00 0.00 C ATOM 444 CE LYS A 28 89.059 -7.010 3.923 1.00 0.00 C ATOM 445 NZ LYS A 28 87.864 -6.151 3.689 1.00 0.00 N ATOM 0 H LYS A 28 93.015 -6.568 4.471 1.00 0.00 H new ATOM 0 HA LYS A 28 90.665 -5.180 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.444 -7.021 6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 28 90.951 -6.375 7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.171 -7.965 4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 28 90.642 -8.632 6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 28 88.517 -7.992 5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.026 -6.327 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 28 89.949 -6.532 3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 28 88.942 -7.962 3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.178 -6.664 3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.425 -5.911 4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 88.154 -5.278 3.203 1.00 0.00 H new ATOM 459 N ASN A 29 93.313 -4.002 6.641 1.00 0.00 N ATOM 460 CA ASN A 29 93.753 -2.849 7.477 1.00 0.00 C ATOM 461 C ASN A 29 93.564 -1.562 6.670 1.00 0.00 C ATOM 462 O ASN A 29 93.451 -0.473 7.203 1.00 0.00 O ATOM 463 CB ASN A 29 95.231 -3.018 7.841 1.00 0.00 C ATOM 464 CG ASN A 29 95.628 -1.958 8.871 1.00 0.00 C ATOM 465 OD1 ASN A 29 96.382 -1.054 8.570 1.00 0.00 O ATOM 466 ND2 ASN A 29 95.149 -2.032 10.083 1.00 0.00 N ATOM 0 H ASN A 29 94.062 -4.576 6.254 1.00 0.00 H new ATOM 0 HA ASN A 29 93.164 -2.803 8.393 1.00 0.00 H new ATOM 0 HB2 ASN A 29 95.405 -4.015 8.244 1.00 0.00 H new ATOM 0 HB3 ASN A 29 95.849 -2.923 6.949 1.00 0.00 H new ATOM 0 HD21 ASN A 29 95.408 -1.331 10.777 1.00 0.00 H new ATOM 0 HD22 ASN A 29 94.516 -2.791 10.336 1.00 0.00 H new ATOM 473 N ILE A 30 93.527 -1.693 5.381 1.00 0.00 N ATOM 474 CA ILE A 30 93.351 -0.509 4.502 1.00 0.00 C ATOM 475 C ILE A 30 91.861 -0.225 4.324 1.00 0.00 C ATOM 476 O ILE A 30 91.423 0.906 4.356 1.00 0.00 O ATOM 477 CB ILE A 30 93.987 -0.829 3.153 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.357 -1.470 3.409 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.142 0.450 2.312 1.00 0.00 C ATOM 480 CD1 ILE A 30 96.068 -1.722 2.081 1.00 0.00 C ATOM 0 H ILE A 30 93.612 -2.583 4.889 1.00 0.00 H new ATOM 0 HA ILE A 30 93.823 0.371 4.940 1.00 0.00 H new ATOM 0 HB ILE A 30 93.351 -1.517 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 30 95.962 -0.817 4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.234 -2.408 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.597 0.202 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.162 0.896 2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 30 94.777 1.160 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 30 97.040 -2.177 2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 30 95.466 -2.393 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 30 96.206 -0.776 1.557 1.00 0.00 H new ATOM 492 N ASN A 31 91.080 -1.249 4.148 1.00 0.00 N ATOM 493 CA ASN A 31 89.619 -1.057 3.978 1.00 0.00 C ATOM 494 C ASN A 31 89.047 -0.492 5.274 1.00 0.00 C ATOM 495 O ASN A 31 88.075 0.237 5.273 1.00 0.00 O ATOM 496 CB ASN A 31 88.973 -2.404 3.659 1.00 0.00 C ATOM 497 CG ASN A 31 89.817 -3.129 2.610 1.00 0.00 C ATOM 498 OD1 ASN A 31 89.743 -4.427 2.515 1.00 0.00 O flip ATOM 499 ND2 ASN A 31 90.553 -2.507 1.869 1.00 0.00 N flip ATOM 0 H ASN A 31 91.395 -2.219 4.114 1.00 0.00 H new ATOM 0 HA ASN A 31 89.417 -0.364 3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 31 88.897 -3.008 4.563 1.00 0.00 H new ATOM 0 HB3 ASN A 31 87.959 -2.256 3.288 1.00 0.00 H new ATOM 0 HD21 ASN A 31 90.611 -1.491 1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 31 91.112 -3.001 1.173 1.00 0.00 H new ATOM 506 N LYS A 32 89.657 -0.806 6.382 1.00 0.00 N ATOM 507 CA LYS A 32 89.157 -0.269 7.674 1.00 0.00 C ATOM 508 C LYS A 32 89.649 1.172 7.820 1.00 0.00 C ATOM 509 O LYS A 32 88.974 2.016 8.374 1.00 0.00 O ATOM 510 CB LYS A 32 89.661 -1.149 8.833 1.00 0.00 C ATOM 511 CG LYS A 32 91.104 -0.794 9.205 1.00 0.00 C ATOM 512 CD LYS A 32 91.483 -1.474 10.528 1.00 0.00 C ATOM 513 CE LYS A 32 91.049 -2.944 10.512 1.00 0.00 C ATOM 514 NZ LYS A 32 91.765 -3.683 11.590 1.00 0.00 N ATOM 0 H LYS A 32 90.477 -1.409 6.447 1.00 0.00 H new ATOM 0 HA LYS A 32 88.067 -0.279 7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.015 -1.018 9.701 1.00 0.00 H new ATOM 0 HB3 LYS A 32 89.603 -2.200 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 32 91.782 -1.114 8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 32 91.210 0.287 9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 32 92.560 -1.407 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.007 -0.956 11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 32 89.971 -3.018 10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 32 91.270 -3.389 9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 91.472 -4.681 11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 92.791 -3.622 11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 91.533 -3.263 12.512 1.00 0.00 H new ATOM 528 N HIS A 33 90.823 1.462 7.320 1.00 0.00 N ATOM 529 CA HIS A 33 91.350 2.851 7.426 1.00 0.00 C ATOM 530 C HIS A 33 90.598 3.768 6.450 1.00 0.00 C ATOM 531 O HIS A 33 90.261 4.888 6.779 1.00 0.00 O ATOM 532 CB HIS A 33 92.849 2.854 7.092 1.00 0.00 C ATOM 533 CG HIS A 33 93.655 2.794 8.362 1.00 0.00 C ATOM 534 ND1 HIS A 33 94.357 3.891 8.844 1.00 0.00 N ATOM 535 CD2 HIS A 33 93.882 1.780 9.260 1.00 0.00 C ATOM 536 CE1 HIS A 33 94.966 3.514 9.984 1.00 0.00 C ATOM 537 NE2 HIS A 33 94.708 2.239 10.279 1.00 0.00 N ATOM 0 H HIS A 33 91.435 0.799 6.845 1.00 0.00 H new ATOM 0 HA HIS A 33 91.204 3.218 8.442 1.00 0.00 H new ATOM 0 HB2 HIS A 33 93.091 2.002 6.456 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.104 3.753 6.531 1.00 0.00 H new ATOM 0 HD2 HIS A 33 93.481 0.780 9.186 1.00 0.00 H new ATOM 0 HE1 HIS A 33 95.586 4.163 10.585 1.00 0.00 H new ATOM 0 HE2 HIS A 33 95.046 1.711 11.084 1.00 0.00 H new ATOM 546 N THR A 34 90.337 3.309 5.252 1.00 0.00 N ATOM 547 CA THR A 34 89.612 4.165 4.262 1.00 0.00 C ATOM 548 C THR A 34 88.130 3.786 4.233 1.00 0.00 C ATOM 549 O THR A 34 87.359 4.328 3.466 1.00 0.00 O ATOM 550 CB THR A 34 90.205 3.961 2.863 1.00 0.00 C ATOM 551 OG1 THR A 34 89.587 2.837 2.252 1.00 0.00 O ATOM 552 CG2 THR A 34 91.715 3.722 2.959 1.00 0.00 C ATOM 0 H THR A 34 90.594 2.381 4.916 1.00 0.00 H new ATOM 0 HA THR A 34 89.719 5.209 4.557 1.00 0.00 H new ATOM 0 HB THR A 34 90.025 4.854 2.265 1.00 0.00 H new ATOM 0 HG1 THR A 34 89.962 2.704 1.357 1.00 0.00 H new ATOM 0 HG21 THR A 34 92.125 3.578 1.959 1.00 0.00 H new ATOM 0 HG22 THR A 34 92.191 4.584 3.426 1.00 0.00 H new ATOM 0 HG23 THR A 34 91.905 2.833 3.560 1.00 0.00 H new ATOM 560 N LYS A 35 87.722 2.860 5.055 1.00 0.00 N ATOM 561 CA LYS A 35 86.288 2.454 5.061 1.00 0.00 C ATOM 562 C LYS A 35 85.865 2.043 3.647 1.00 0.00 C ATOM 563 O LYS A 35 84.710 2.137 3.281 1.00 0.00 O ATOM 564 CB LYS A 35 85.424 3.629 5.528 1.00 0.00 C ATOM 565 CG LYS A 35 86.021 4.238 6.799 1.00 0.00 C ATOM 566 CD LYS A 35 85.987 3.206 7.928 1.00 0.00 C ATOM 567 CE LYS A 35 86.183 3.911 9.272 1.00 0.00 C ATOM 568 NZ LYS A 35 84.980 4.735 9.580 1.00 0.00 N ATOM 0 H LYS A 35 88.317 2.368 5.721 1.00 0.00 H new ATOM 0 HA LYS A 35 86.155 1.612 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.366 4.384 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.406 3.290 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 35 87.047 4.556 6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.459 5.126 7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.036 2.674 7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 35 86.769 2.462 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 35 86.345 3.176 10.060 1.00 0.00 H new ATOM 0 HE3 LYS A 35 87.071 4.543 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 84.883 4.836 10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 85.083 5.675 9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 84.133 4.269 9.197 1.00 0.00 H new ATOM 582 N ARG A 36 86.792 1.588 2.849 1.00 0.00 N ATOM 583 CA ARG A 36 86.450 1.170 1.458 1.00 0.00 C ATOM 584 C ARG A 36 87.555 0.257 0.924 1.00 0.00 C ATOM 585 O ARG A 36 88.706 0.401 1.276 1.00 0.00 O ATOM 586 CB ARG A 36 86.334 2.410 0.567 1.00 0.00 C ATOM 587 CG ARG A 36 86.594 2.030 -0.897 1.00 0.00 C ATOM 588 CD ARG A 36 85.475 1.128 -1.423 1.00 0.00 C ATOM 589 NE ARG A 36 84.861 1.753 -2.628 1.00 0.00 N ATOM 590 CZ ARG A 36 83.792 1.230 -3.162 1.00 0.00 C ATOM 591 NH1 ARG A 36 83.259 0.159 -2.640 1.00 0.00 N ATOM 592 NH2 ARG A 36 83.254 1.778 -4.218 1.00 0.00 N ATOM 0 H ARG A 36 87.775 1.487 3.101 1.00 0.00 H new ATOM 0 HA ARG A 36 85.500 0.635 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 36 85.341 2.848 0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 36 87.050 3.167 0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.660 2.931 -1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 36 87.552 1.518 -0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.873 0.144 -1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 36 84.719 0.980 -0.652 1.00 0.00 H new ATOM 0 HE ARG A 36 85.277 2.590 -3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 36 83.678 -0.269 -1.815 1.00 0.00 H new ATOM 0 HH12 ARG A 36 82.423 -0.250 -3.058 1.00 0.00 H new ATOM 0 HH21 ARG A 36 83.670 2.615 -4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 36 82.418 1.369 -4.635 1.00 0.00 H new ATOM 606 N CYS A 37 87.229 -0.670 0.059 1.00 0.00 N ATOM 607 CA CYS A 37 88.284 -1.557 -0.487 1.00 0.00 C ATOM 608 C CYS A 37 88.887 -0.917 -1.737 1.00 0.00 C ATOM 609 O CYS A 37 88.363 -1.039 -2.826 1.00 0.00 O ATOM 610 CB CYS A 37 87.679 -2.915 -0.832 1.00 0.00 C ATOM 611 SG CYS A 37 87.834 -4.006 0.608 1.00 0.00 S ATOM 0 H CYS A 37 86.285 -0.845 -0.286 1.00 0.00 H new ATOM 0 HA CYS A 37 89.069 -1.697 0.256 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.631 -2.802 -1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 37 88.191 -3.349 -1.691 1.00 0.00 H new ATOM 616 N LYS A 38 89.979 -0.222 -1.571 1.00 0.00 N ATOM 617 CA LYS A 38 90.650 0.455 -2.725 1.00 0.00 C ATOM 618 C LYS A 38 90.575 -0.409 -3.995 1.00 0.00 C ATOM 619 O LYS A 38 90.849 0.068 -5.077 1.00 0.00 O ATOM 620 CB LYS A 38 92.124 0.728 -2.382 1.00 0.00 C ATOM 621 CG LYS A 38 92.227 1.938 -1.443 1.00 0.00 C ATOM 622 CD LYS A 38 91.789 3.216 -2.176 1.00 0.00 C ATOM 623 CE LYS A 38 92.614 4.406 -1.677 1.00 0.00 C ATOM 624 NZ LYS A 38 92.866 4.257 -0.215 1.00 0.00 N ATOM 0 H LYS A 38 90.444 -0.091 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 38 90.132 1.395 -2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.565 -0.149 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.690 0.916 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.601 1.781 -0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 38 93.252 2.046 -1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 38 91.922 3.094 -3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 38 90.728 3.399 -2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 38 93.560 4.459 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 38 92.083 5.338 -1.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 93.013 5.195 0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 92.047 3.799 0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 93.714 3.673 -0.067 1.00 0.00 H new ATOM 638 N ASP A 39 90.202 -1.665 -3.888 1.00 0.00 N ATOM 639 CA ASP A 39 90.106 -2.527 -5.103 1.00 0.00 C ATOM 640 C ASP A 39 91.496 -3.019 -5.513 1.00 0.00 C ATOM 641 O ASP A 39 91.634 -4.058 -6.126 1.00 0.00 O ATOM 642 CB ASP A 39 89.475 -1.745 -6.265 1.00 0.00 C ATOM 643 CG ASP A 39 88.400 -0.798 -5.727 1.00 0.00 C ATOM 644 OD1 ASP A 39 87.446 -1.286 -5.144 1.00 0.00 O ATOM 645 OD2 ASP A 39 88.549 0.399 -5.907 1.00 0.00 O ATOM 0 H ASP A 39 89.961 -2.126 -3.011 1.00 0.00 H new ATOM 0 HA ASP A 39 89.476 -3.385 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 39 90.242 -1.178 -6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 39 89.037 -2.436 -6.985 1.00 0.00 H new ATOM 650 N LEU A 40 92.530 -2.287 -5.191 1.00 0.00 N ATOM 651 CA LEU A 40 93.902 -2.731 -5.582 1.00 0.00 C ATOM 652 C LEU A 40 94.923 -2.255 -4.538 1.00 0.00 C ATOM 653 O LEU A 40 94.856 -1.146 -4.048 1.00 0.00 O ATOM 654 CB LEU A 40 94.252 -2.129 -6.959 1.00 0.00 C ATOM 655 CG LEU A 40 94.638 -3.222 -7.972 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.870 -4.004 -7.489 1.00 0.00 C ATOM 657 CD2 LEU A 40 93.456 -4.176 -8.179 1.00 0.00 C ATOM 0 H LEU A 40 92.486 -1.407 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 40 93.931 -3.819 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 40 93.400 -1.565 -7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 40 95.077 -1.425 -6.850 1.00 0.00 H new ATOM 0 HG LEU A 40 94.887 -2.745 -8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 40 96.124 -4.771 -8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 40 96.711 -3.321 -7.372 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.649 -4.475 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 40 93.733 -4.948 -8.897 1.00 0.00 H new ATOM 0 HD22 LEU A 40 93.193 -4.641 -7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 40 92.600 -3.618 -8.559 1.00 0.00 H new ATOM 669 N ASN A 41 95.878 -3.087 -4.215 1.00 0.00 N ATOM 670 CA ASN A 41 96.924 -2.696 -3.227 1.00 0.00 C ATOM 671 C ASN A 41 98.181 -3.507 -3.509 1.00 0.00 C ATOM 672 O ASN A 41 98.157 -4.719 -3.563 1.00 0.00 O ATOM 673 CB ASN A 41 96.442 -2.958 -1.801 1.00 0.00 C ATOM 674 CG ASN A 41 95.632 -1.753 -1.318 1.00 0.00 C ATOM 675 OD1 ASN A 41 94.471 -1.616 -1.642 1.00 0.00 O ATOM 676 ND2 ASN A 41 96.205 -0.859 -0.561 1.00 0.00 N ATOM 0 H ASN A 41 95.978 -4.028 -4.597 1.00 0.00 H new ATOM 0 HA ASN A 41 97.135 -1.631 -3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 41 95.830 -3.859 -1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 41 97.293 -3.128 -1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 41 95.677 -0.046 -0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 41 97.181 -0.972 -0.287 1.00 0.00 H new ATOM 683 N THR A 42 99.276 -2.839 -3.703 1.00 0.00 N ATOM 684 CA THR A 42 100.546 -3.547 -4.001 1.00 0.00 C ATOM 685 C THR A 42 101.404 -3.588 -2.737 1.00 0.00 C ATOM 686 O THR A 42 101.299 -2.745 -1.876 1.00 0.00 O ATOM 687 CB THR A 42 101.283 -2.790 -5.118 1.00 0.00 C ATOM 688 OG1 THR A 42 100.776 -1.465 -5.191 1.00 0.00 O ATOM 689 CG2 THR A 42 101.063 -3.481 -6.469 1.00 0.00 C ATOM 0 H THR A 42 99.348 -1.822 -3.668 1.00 0.00 H new ATOM 0 HA THR A 42 100.346 -4.568 -4.327 1.00 0.00 H new ATOM 0 HB THR A 42 102.350 -2.779 -4.894 1.00 0.00 H new ATOM 0 HG1 THR A 42 101.389 -0.854 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 42 101.591 -2.932 -7.249 1.00 0.00 H new ATOM 0 HG22 THR A 42 101.443 -4.501 -6.422 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.998 -3.501 -6.698 1.00 0.00 H new ATOM 697 N PHE A 43 102.247 -4.570 -2.623 1.00 0.00 N ATOM 698 CA PHE A 43 103.123 -4.679 -1.424 1.00 0.00 C ATOM 699 C PHE A 43 104.544 -4.981 -1.908 1.00 0.00 C ATOM 700 O PHE A 43 104.728 -5.506 -2.983 1.00 0.00 O ATOM 701 CB PHE A 43 102.615 -5.813 -0.525 1.00 0.00 C ATOM 702 CG PHE A 43 101.245 -5.462 0.026 1.00 0.00 C ATOM 703 CD1 PHE A 43 100.122 -5.489 -0.813 1.00 0.00 C ATOM 704 CD2 PHE A 43 101.094 -5.115 1.377 1.00 0.00 C ATOM 705 CE1 PHE A 43 98.858 -5.172 -0.304 1.00 0.00 C ATOM 706 CE2 PHE A 43 99.828 -4.798 1.884 1.00 0.00 C ATOM 707 CZ PHE A 43 98.711 -4.827 1.044 1.00 0.00 C ATOM 0 H PHE A 43 102.370 -5.310 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 43 103.114 -3.753 -0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.561 -6.742 -1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.314 -5.980 0.294 1.00 0.00 H new ATOM 0 HD1 PHE A 43 100.233 -5.755 -1.854 1.00 0.00 H new ATOM 0 HD2 PHE A 43 101.956 -5.092 2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 43 97.995 -5.194 -0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 43 99.714 -4.531 2.924 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.734 -4.583 1.436 1.00 0.00 H new ATOM 717 N LEU A 44 105.550 -4.653 -1.141 1.00 0.00 N ATOM 718 CA LEU A 44 106.953 -4.929 -1.586 1.00 0.00 C ATOM 719 C LEU A 44 107.609 -5.876 -0.578 1.00 0.00 C ATOM 720 O LEU A 44 107.247 -5.888 0.581 1.00 0.00 O ATOM 721 CB LEU A 44 107.735 -3.610 -1.676 1.00 0.00 C ATOM 722 CG LEU A 44 106.986 -2.627 -2.585 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.790 -1.329 -2.725 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.798 -3.254 -3.967 1.00 0.00 C ATOM 0 H LEU A 44 105.464 -4.207 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 44 106.952 -5.395 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.858 -3.180 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.735 -3.795 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 44 106.014 -2.404 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 44 107.252 -0.636 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.926 -0.877 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.764 -1.550 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 44 106.266 -2.556 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.773 -3.479 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 44 106.221 -4.174 -3.874 1.00 0.00 H new ATOM 736 N HIS A 45 108.557 -6.686 -0.998 1.00 0.00 N ATOM 737 CA HIS A 45 109.199 -7.640 -0.029 1.00 0.00 C ATOM 738 C HIS A 45 110.626 -7.211 0.267 1.00 0.00 C ATOM 739 O HIS A 45 111.580 -7.860 -0.112 1.00 0.00 O ATOM 740 CB HIS A 45 109.205 -9.061 -0.602 1.00 0.00 C ATOM 741 CG HIS A 45 109.295 -10.057 0.522 1.00 0.00 C ATOM 742 ND1 HIS A 45 108.374 -10.926 1.055 1.00 0.00 N flip ATOM 743 CD2 HIS A 45 110.461 -10.247 1.252 1.00 0.00 C flip ATOM 744 CE1 HIS A 45 108.958 -11.641 2.094 1.00 0.00 C flip ATOM 745 NE2 HIS A 45 110.213 -11.196 2.174 1.00 0.00 N flip ATOM 0 H HIS A 45 108.910 -6.729 -1.954 1.00 0.00 H new ATOM 0 HA HIS A 45 108.620 -7.628 0.894 1.00 0.00 H new ATOM 0 HB2 HIS A 45 108.299 -9.234 -1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 45 110.048 -9.187 -1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 45 111.397 -9.728 1.106 1.00 0.00 H new ATOM 0 HE1 HIS A 45 108.493 -12.398 2.708 1.00 0.00 H new ATOM 0 HE2 HIS A 45 110.899 -11.533 2.849 1.00 0.00 H new ATOM 754 N GLU A 46 110.774 -6.127 0.957 1.00 0.00 N ATOM 755 CA GLU A 46 112.128 -5.645 1.305 1.00 0.00 C ATOM 756 C GLU A 46 112.022 -4.891 2.640 1.00 0.00 C ATOM 757 O GLU A 46 111.162 -4.053 2.802 1.00 0.00 O ATOM 758 CB GLU A 46 112.611 -4.723 0.181 1.00 0.00 C ATOM 759 CG GLU A 46 114.061 -4.310 0.427 1.00 0.00 C ATOM 760 CD GLU A 46 115.000 -5.428 -0.029 1.00 0.00 C ATOM 761 OE1 GLU A 46 115.021 -6.460 0.620 1.00 0.00 O ATOM 762 OE2 GLU A 46 115.683 -5.233 -1.022 1.00 0.00 O ATOM 0 H GLU A 46 110.007 -5.547 1.299 1.00 0.00 H new ATOM 0 HA GLU A 46 112.841 -6.462 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.528 -5.233 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 46 111.977 -3.838 0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.284 -3.391 -0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.215 -4.102 1.486 1.00 0.00 H new ATOM 769 N PRO A 47 112.852 -5.196 3.611 1.00 0.00 N ATOM 770 CA PRO A 47 112.783 -4.517 4.937 1.00 0.00 C ATOM 771 C PRO A 47 112.790 -2.993 4.813 1.00 0.00 C ATOM 772 O PRO A 47 113.651 -2.415 4.180 1.00 0.00 O ATOM 773 CB PRO A 47 114.031 -4.987 5.679 1.00 0.00 C ATOM 774 CG PRO A 47 114.453 -6.256 5.006 1.00 0.00 C ATOM 775 CD PRO A 47 113.926 -6.204 3.567 1.00 0.00 C ATOM 0 HA PRO A 47 111.856 -4.766 5.454 1.00 0.00 H new ATOM 0 HB2 PRO A 47 114.821 -4.237 5.630 1.00 0.00 H new ATOM 0 HB3 PRO A 47 113.818 -5.156 6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 47 115.539 -6.353 5.015 1.00 0.00 H new ATOM 0 HG3 PRO A 47 114.051 -7.122 5.532 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.710 -5.920 2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.548 -7.175 3.246 1.00 0.00 H new ATOM 783 N PHE A 48 111.835 -2.346 5.417 1.00 0.00 N ATOM 784 CA PHE A 48 111.765 -0.857 5.353 1.00 0.00 C ATOM 785 C PHE A 48 113.154 -0.262 5.529 1.00 0.00 C ATOM 786 O PHE A 48 113.394 0.858 5.163 1.00 0.00 O ATOM 787 CB PHE A 48 110.831 -0.360 6.446 1.00 0.00 C ATOM 788 CG PHE A 48 109.749 -1.400 6.625 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.031 -1.843 5.507 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.482 -1.944 7.888 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.048 -2.825 5.647 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.491 -2.927 8.029 1.00 0.00 C ATOM 793 CZ PHE A 48 107.776 -3.367 6.908 1.00 0.00 C ATOM 0 H PHE A 48 111.092 -2.787 5.958 1.00 0.00 H new ATOM 0 HA PHE A 48 111.382 -0.547 4.381 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.376 -0.210 7.378 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.397 0.602 6.172 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.238 -1.424 4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 48 110.038 -1.608 8.751 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.498 -3.166 4.782 1.00 0.00 H new ATOM 0 HE2 PHE A 48 108.279 -3.345 9.002 1.00 0.00 H new ATOM 0 HZ PHE A 48 107.014 -4.125 7.017 1.00 0.00 H new ATOM 803 N SER A 49 114.075 -1.002 6.073 1.00 0.00 N ATOM 804 CA SER A 49 115.451 -0.464 6.239 1.00 0.00 C ATOM 805 C SER A 49 116.133 -0.476 4.871 1.00 0.00 C ATOM 806 O SER A 49 116.876 0.422 4.518 1.00 0.00 O ATOM 807 CB SER A 49 116.235 -1.344 7.214 1.00 0.00 C ATOM 808 OG SER A 49 117.598 -0.938 7.221 1.00 0.00 O ATOM 0 H SER A 49 113.936 -1.955 6.410 1.00 0.00 H new ATOM 0 HA SER A 49 115.415 0.551 6.635 1.00 0.00 H new ATOM 0 HB2 SER A 49 115.814 -1.261 8.216 1.00 0.00 H new ATOM 0 HB3 SER A 49 116.157 -2.391 6.921 1.00 0.00 H new ATOM 0 HG SER A 49 118.103 -1.499 7.846 1.00 0.00 H new ATOM 814 N SER A 50 115.857 -1.478 4.080 1.00 0.00 N ATOM 815 CA SER A 50 116.461 -1.541 2.727 1.00 0.00 C ATOM 816 C SER A 50 115.586 -0.714 1.797 1.00 0.00 C ATOM 817 O SER A 50 116.062 0.127 1.062 1.00 0.00 O ATOM 818 CB SER A 50 116.509 -2.992 2.258 1.00 0.00 C ATOM 819 OG SER A 50 116.303 -3.042 0.853 1.00 0.00 O ATOM 0 H SER A 50 115.239 -2.254 4.317 1.00 0.00 H new ATOM 0 HA SER A 50 117.479 -1.150 2.734 1.00 0.00 H new ATOM 0 HB2 SER A 50 117.472 -3.436 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 50 115.744 -3.576 2.770 1.00 0.00 H new ATOM 0 HG SER A 50 117.004 -3.587 0.439 1.00 0.00 H new ATOM 825 N VAL A 51 114.298 -0.915 1.857 1.00 0.00 N ATOM 826 CA VAL A 51 113.389 -0.099 1.008 1.00 0.00 C ATOM 827 C VAL A 51 113.652 1.354 1.376 1.00 0.00 C ATOM 828 O VAL A 51 113.639 2.243 0.548 1.00 0.00 O ATOM 829 CB VAL A 51 111.922 -0.449 1.304 1.00 0.00 C ATOM 830 CG1 VAL A 51 111.095 -0.369 0.017 1.00 0.00 C ATOM 831 CG2 VAL A 51 111.837 -1.867 1.869 1.00 0.00 C ATOM 0 H VAL A 51 113.840 -1.604 2.453 1.00 0.00 H new ATOM 0 HA VAL A 51 113.569 -0.287 -0.051 1.00 0.00 H new ATOM 0 HB VAL A 51 111.528 0.261 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.057 -0.618 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 51 111.148 0.642 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.491 -1.073 -0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.796 -2.113 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.238 -2.573 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.416 -1.927 2.790 1.00 0.00 H new ATOM 841 N ALA A 52 113.923 1.584 2.634 1.00 0.00 N ATOM 842 CA ALA A 52 114.228 2.957 3.098 1.00 0.00 C ATOM 843 C ALA A 52 115.387 3.472 2.252 1.00 0.00 C ATOM 844 O ALA A 52 115.345 4.552 1.699 1.00 0.00 O ATOM 845 CB ALA A 52 114.652 2.922 4.572 1.00 0.00 C ATOM 0 H ALA A 52 113.945 0.869 3.361 1.00 0.00 H new ATOM 0 HA ALA A 52 113.354 3.601 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 52 114.876 3.934 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 52 113.843 2.509 5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.539 2.299 4.681 1.00 0.00 H new ATOM 851 N ALA A 53 116.424 2.682 2.143 1.00 0.00 N ATOM 852 CA ALA A 53 117.597 3.094 1.327 1.00 0.00 C ATOM 853 C ALA A 53 117.195 3.169 -0.150 1.00 0.00 C ATOM 854 O ALA A 53 117.709 3.978 -0.896 1.00 0.00 O ATOM 855 CB ALA A 53 118.721 2.069 1.498 1.00 0.00 C ATOM 0 H ALA A 53 116.506 1.767 2.587 1.00 0.00 H new ATOM 0 HA ALA A 53 117.943 4.073 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.582 2.370 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.009 2.016 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.374 1.090 1.168 1.00 0.00 H new ATOM 861 N THR A 54 116.279 2.340 -0.585 1.00 0.00 N ATOM 862 CA THR A 54 115.866 2.395 -2.017 1.00 0.00 C ATOM 863 C THR A 54 115.299 3.778 -2.303 1.00 0.00 C ATOM 864 O THR A 54 115.527 4.348 -3.349 1.00 0.00 O ATOM 865 CB THR A 54 114.795 1.331 -2.325 1.00 0.00 C ATOM 866 OG1 THR A 54 115.428 0.082 -2.564 1.00 0.00 O ATOM 867 CG2 THR A 54 113.993 1.744 -3.568 1.00 0.00 C ATOM 0 H THR A 54 115.806 1.637 -0.018 1.00 0.00 H new ATOM 0 HA THR A 54 116.734 2.196 -2.645 1.00 0.00 H new ATOM 0 HB THR A 54 114.119 1.243 -1.475 1.00 0.00 H new ATOM 0 HG1 THR A 54 114.749 -0.597 -2.759 1.00 0.00 H new ATOM 0 HG21 THR A 54 113.237 0.988 -3.781 1.00 0.00 H new ATOM 0 HG22 THR A 54 113.506 2.702 -3.385 1.00 0.00 H new ATOM 0 HG23 THR A 54 114.665 1.835 -4.421 1.00 0.00 H new ATOM 875 N CYS A 55 114.563 4.331 -1.382 1.00 0.00 N ATOM 876 CA CYS A 55 113.994 5.675 -1.626 1.00 0.00 C ATOM 877 C CYS A 55 115.092 6.719 -1.432 1.00 0.00 C ATOM 878 O CYS A 55 114.831 7.872 -1.151 1.00 0.00 O ATOM 879 CB CYS A 55 112.838 5.916 -0.659 1.00 0.00 C ATOM 880 SG CYS A 55 111.654 7.045 -1.423 1.00 0.00 S ATOM 0 H CYS A 55 114.335 3.912 -0.480 1.00 0.00 H new ATOM 0 HA CYS A 55 113.613 5.749 -2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.352 4.972 -0.412 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.210 6.337 0.275 1.00 0.00 H new ATOM 885 N GLN A 56 116.325 6.313 -1.594 1.00 0.00 N ATOM 886 CA GLN A 56 117.466 7.258 -1.438 1.00 0.00 C ATOM 887 C GLN A 56 118.110 7.492 -2.806 1.00 0.00 C ATOM 888 O GLN A 56 118.737 8.506 -3.040 1.00 0.00 O ATOM 889 CB GLN A 56 118.500 6.657 -0.482 1.00 0.00 C ATOM 890 CG GLN A 56 119.454 7.754 -0.006 1.00 0.00 C ATOM 891 CD GLN A 56 120.506 7.147 0.925 1.00 0.00 C ATOM 892 OE1 GLN A 56 121.649 6.986 0.545 1.00 0.00 O ATOM 893 NE2 GLN A 56 120.167 6.801 2.136 1.00 0.00 N ATOM 0 H GLN A 56 116.590 5.357 -1.830 1.00 0.00 H new ATOM 0 HA GLN A 56 117.108 8.204 -1.032 1.00 0.00 H new ATOM 0 HB2 GLN A 56 117.999 6.200 0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 56 119.059 5.867 -0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 56 119.938 8.226 -0.861 1.00 0.00 H new ATOM 0 HG3 GLN A 56 118.898 8.533 0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 56 119.208 6.936 2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 56 120.861 6.395 2.764 1.00 0.00 H new ATOM 902 N THR A 57 117.953 6.566 -3.717 1.00 0.00 N ATOM 903 CA THR A 57 118.553 6.754 -5.071 1.00 0.00 C ATOM 904 C THR A 57 117.921 7.992 -5.717 1.00 0.00 C ATOM 905 O THR A 57 116.803 8.349 -5.407 1.00 0.00 O ATOM 906 CB THR A 57 118.280 5.515 -5.944 1.00 0.00 C ATOM 907 OG1 THR A 57 118.250 5.899 -7.310 1.00 0.00 O ATOM 908 CG2 THR A 57 116.934 4.885 -5.571 1.00 0.00 C ATOM 0 H THR A 57 117.440 5.695 -3.583 1.00 0.00 H new ATOM 0 HA THR A 57 119.631 6.887 -4.983 1.00 0.00 H new ATOM 0 HB THR A 57 119.073 4.786 -5.777 1.00 0.00 H new ATOM 0 HG1 THR A 57 118.078 5.112 -7.867 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.756 4.011 -6.197 1.00 0.00 H new ATOM 0 HG22 THR A 57 116.951 4.584 -4.523 1.00 0.00 H new ATOM 0 HG23 THR A 57 116.137 5.612 -5.727 1.00 0.00 H new ATOM 916 N PRO A 58 118.629 8.645 -6.605 1.00 0.00 N ATOM 917 CA PRO A 58 118.127 9.860 -7.297 1.00 0.00 C ATOM 918 C PRO A 58 116.610 9.820 -7.510 1.00 0.00 C ATOM 919 O PRO A 58 116.080 8.894 -8.090 1.00 0.00 O ATOM 920 CB PRO A 58 118.874 9.818 -8.628 1.00 0.00 C ATOM 921 CG PRO A 58 120.190 9.165 -8.316 1.00 0.00 C ATOM 922 CD PRO A 58 119.987 8.304 -7.056 1.00 0.00 C ATOM 0 HA PRO A 58 118.298 10.773 -6.726 1.00 0.00 H new ATOM 0 HB2 PRO A 58 118.319 9.250 -9.374 1.00 0.00 H new ATOM 0 HB3 PRO A 58 119.017 10.820 -9.032 1.00 0.00 H new ATOM 0 HG2 PRO A 58 120.521 8.550 -9.152 1.00 0.00 H new ATOM 0 HG3 PRO A 58 120.961 9.916 -8.148 1.00 0.00 H new ATOM 0 HD2 PRO A 58 120.078 7.241 -7.280 1.00 0.00 H new ATOM 0 HD3 PRO A 58 120.730 8.533 -6.292 1.00 0.00 H new ATOM 930 N LYS A 59 115.906 10.810 -7.030 1.00 0.00 N ATOM 931 CA LYS A 59 114.424 10.812 -7.193 1.00 0.00 C ATOM 932 C LYS A 59 114.057 10.982 -8.670 1.00 0.00 C ATOM 933 O LYS A 59 114.860 10.747 -9.549 1.00 0.00 O ATOM 934 CB LYS A 59 113.802 11.947 -6.369 1.00 0.00 C ATOM 935 CG LYS A 59 114.740 13.151 -6.335 1.00 0.00 C ATOM 936 CD LYS A 59 115.097 13.585 -7.762 1.00 0.00 C ATOM 937 CE LYS A 59 115.897 14.895 -7.729 1.00 0.00 C ATOM 938 NZ LYS A 59 117.344 14.595 -7.921 1.00 0.00 N ATOM 0 H LYS A 59 116.291 11.614 -6.534 1.00 0.00 H new ATOM 0 HA LYS A 59 114.033 9.859 -6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.844 12.236 -6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 59 113.604 11.603 -5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 59 114.265 13.976 -5.804 1.00 0.00 H new ATOM 0 HG3 LYS A 59 115.647 12.899 -5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 59 115.680 12.806 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 59 114.188 13.719 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 59 115.547 15.568 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 59 115.743 15.405 -6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 117.888 15.481 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 117.673 13.968 -7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 117.483 14.126 -8.839 1.00 0.00 H new ATOM 952 N ILE A 60 112.845 11.387 -8.944 1.00 0.00 N ATOM 953 CA ILE A 60 112.415 11.566 -10.362 1.00 0.00 C ATOM 954 C ILE A 60 111.103 12.363 -10.408 1.00 0.00 C ATOM 955 O ILE A 60 110.065 11.840 -10.760 1.00 0.00 O ATOM 956 CB ILE A 60 112.187 10.184 -11.002 1.00 0.00 C ATOM 957 CG1 ILE A 60 111.884 9.161 -9.898 1.00 0.00 C ATOM 958 CG2 ILE A 60 113.431 9.737 -11.784 1.00 0.00 C ATOM 959 CD1 ILE A 60 111.147 7.957 -10.490 1.00 0.00 C ATOM 0 H ILE A 60 112.133 11.602 -8.246 1.00 0.00 H new ATOM 0 HA ILE A 60 113.188 12.106 -10.908 1.00 0.00 H new ATOM 0 HB ILE A 60 111.347 10.250 -11.693 1.00 0.00 H new ATOM 0 HG12 ILE A 60 112.812 8.835 -9.428 1.00 0.00 H new ATOM 0 HG13 ILE A 60 111.277 9.623 -9.119 1.00 0.00 H new ATOM 0 HG21 ILE A 60 113.249 8.758 -12.228 1.00 0.00 H new ATOM 0 HG22 ILE A 60 113.644 10.459 -12.572 1.00 0.00 H new ATOM 0 HG23 ILE A 60 114.283 9.676 -11.107 1.00 0.00 H new ATOM 0 HD11 ILE A 60 110.936 7.236 -9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 60 110.211 8.288 -10.939 1.00 0.00 H new ATOM 0 HD13 ILE A 60 111.769 7.488 -11.252 1.00 0.00 H new ATOM 971 N ALA A 61 111.141 13.624 -10.066 1.00 0.00 N ATOM 972 CA ALA A 61 109.894 14.450 -10.100 1.00 0.00 C ATOM 973 C ALA A 61 108.698 13.615 -9.631 1.00 0.00 C ATOM 974 O ALA A 61 107.664 13.598 -10.267 1.00 0.00 O ATOM 975 CB ALA A 61 109.643 14.933 -11.530 1.00 0.00 C ATOM 0 H ALA A 61 111.980 14.119 -9.764 1.00 0.00 H new ATOM 0 HA ALA A 61 110.016 15.306 -9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 61 108.735 15.535 -11.557 1.00 0.00 H new ATOM 0 HB2 ALA A 61 110.488 15.536 -11.864 1.00 0.00 H new ATOM 0 HB3 ALA A 61 109.528 14.073 -12.190 1.00 0.00 H new ATOM 981 N CYS A 62 108.841 12.923 -8.526 1.00 0.00 N ATOM 982 CA CYS A 62 107.727 12.071 -7.989 1.00 0.00 C ATOM 983 C CYS A 62 106.458 12.250 -8.829 1.00 0.00 C ATOM 984 O CYS A 62 106.064 11.374 -9.573 1.00 0.00 O ATOM 985 CB CYS A 62 107.438 12.479 -6.535 1.00 0.00 C ATOM 986 SG CYS A 62 107.718 11.096 -5.390 1.00 0.00 S ATOM 0 H CYS A 62 109.693 12.911 -7.965 1.00 0.00 H new ATOM 0 HA CYS A 62 108.029 11.025 -8.033 1.00 0.00 H new ATOM 0 HB2 CYS A 62 108.076 13.318 -6.257 1.00 0.00 H new ATOM 0 HB3 CYS A 62 106.407 12.821 -6.450 1.00 0.00 H new ATOM 991 N LYS A 63 105.819 13.382 -8.715 1.00 0.00 N ATOM 992 CA LYS A 63 104.578 13.623 -9.504 1.00 0.00 C ATOM 993 C LYS A 63 104.939 14.306 -10.822 1.00 0.00 C ATOM 994 O LYS A 63 104.918 13.702 -11.876 1.00 0.00 O ATOM 995 CB LYS A 63 103.636 14.528 -8.704 1.00 0.00 C ATOM 996 CG LYS A 63 102.972 13.723 -7.579 1.00 0.00 C ATOM 997 CD LYS A 63 101.705 13.042 -8.104 1.00 0.00 C ATOM 998 CE LYS A 63 101.020 12.289 -6.961 1.00 0.00 C ATOM 999 NZ LYS A 63 99.638 11.912 -7.373 1.00 0.00 N ATOM 0 H LYS A 63 106.103 14.151 -8.109 1.00 0.00 H new ATOM 0 HA LYS A 63 104.085 12.673 -9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 63 104.192 15.366 -8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 63 102.875 14.948 -9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 63 103.666 12.974 -7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 63 102.723 14.381 -6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 63 101.026 13.785 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 63 101.957 12.352 -8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 63 101.591 11.396 -6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 63 100.987 12.913 -6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 99.172 11.400 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 99.096 12.771 -7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 99.681 11.301 -8.214 1.00 0.00 H new ATOM 1013 N ASN A 64 105.274 15.563 -10.766 1.00 0.00 N ATOM 1014 CA ASN A 64 105.644 16.305 -12.004 1.00 0.00 C ATOM 1015 C ASN A 64 106.770 17.277 -11.666 1.00 0.00 C ATOM 1016 O ASN A 64 107.027 18.228 -12.377 1.00 0.00 O ATOM 1017 CB ASN A 64 104.431 17.083 -12.514 1.00 0.00 C ATOM 1018 CG ASN A 64 104.672 17.518 -13.961 1.00 0.00 C ATOM 1019 OD1 ASN A 64 104.280 16.836 -14.887 1.00 0.00 O ATOM 1020 ND2 ASN A 64 105.306 18.634 -14.196 1.00 0.00 N ATOM 0 H ASN A 64 105.308 16.114 -9.908 1.00 0.00 H new ATOM 0 HA ASN A 64 105.970 15.609 -12.776 1.00 0.00 H new ATOM 0 HB2 ASN A 64 103.537 16.462 -12.454 1.00 0.00 H new ATOM 0 HB3 ASN A 64 104.256 17.956 -11.885 1.00 0.00 H new ATOM 0 HD21 ASN A 64 105.472 18.934 -15.157 1.00 0.00 H new ATOM 0 HD22 ASN A 64 105.635 19.207 -13.419 1.00 0.00 H new ATOM 1027 N GLY A 65 107.437 17.039 -10.574 1.00 0.00 N ATOM 1028 CA GLY A 65 108.548 17.936 -10.158 1.00 0.00 C ATOM 1029 C GLY A 65 108.739 17.828 -8.645 1.00 0.00 C ATOM 1030 O GLY A 65 109.480 18.584 -8.048 1.00 0.00 O ATOM 0 H GLY A 65 107.259 16.255 -9.946 1.00 0.00 H new ATOM 0 HA2 GLY A 65 109.468 17.659 -10.674 1.00 0.00 H new ATOM 0 HA3 GLY A 65 108.324 18.966 -10.436 1.00 0.00 H new ATOM 1034 N ASP A 66 108.079 16.890 -8.016 1.00 0.00 N ATOM 1035 CA ASP A 66 108.231 16.739 -6.541 1.00 0.00 C ATOM 1036 C ASP A 66 109.634 16.216 -6.235 1.00 0.00 C ATOM 1037 O ASP A 66 110.253 16.599 -5.262 1.00 0.00 O ATOM 1038 CB ASP A 66 107.188 15.744 -6.020 1.00 0.00 C ATOM 1039 CG ASP A 66 105.924 16.495 -5.593 1.00 0.00 C ATOM 1040 OD1 ASP A 66 105.980 17.186 -4.589 1.00 0.00 O ATOM 1041 OD2 ASP A 66 104.922 16.367 -6.278 1.00 0.00 O ATOM 0 H ASP A 66 107.444 16.226 -8.459 1.00 0.00 H new ATOM 0 HA ASP A 66 108.084 17.703 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 66 106.946 15.017 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 66 107.594 15.186 -5.176 1.00 0.00 H new ATOM 1046 N LYS A 67 110.140 15.343 -7.060 1.00 0.00 N ATOM 1047 CA LYS A 67 111.503 14.793 -6.823 1.00 0.00 C ATOM 1048 C LYS A 67 111.506 14.009 -5.507 1.00 0.00 C ATOM 1049 O LYS A 67 112.369 14.186 -4.671 1.00 0.00 O ATOM 1050 CB LYS A 67 112.520 15.944 -6.748 1.00 0.00 C ATOM 1051 CG LYS A 67 112.054 17.120 -7.620 1.00 0.00 C ATOM 1052 CD LYS A 67 113.273 17.886 -8.143 1.00 0.00 C ATOM 1053 CE LYS A 67 112.806 19.082 -8.976 1.00 0.00 C ATOM 1054 NZ LYS A 67 112.233 18.597 -10.263 1.00 0.00 N ATOM 0 H LYS A 67 109.667 14.986 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 67 111.779 14.130 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 67 112.635 16.271 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 67 113.498 15.598 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 67 111.457 16.753 -8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 67 111.415 17.786 -7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 67 113.886 18.227 -7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 67 113.896 17.229 -8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 67 112.059 19.653 -8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 67 113.643 19.754 -9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 112.742 19.035 -11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 112.330 17.563 -10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 111.226 18.854 -10.314 1.00 0.00 H new ATOM 1068 N ASN A 68 110.534 13.155 -5.308 1.00 0.00 N ATOM 1069 CA ASN A 68 110.474 12.370 -4.035 1.00 0.00 C ATOM 1070 C ASN A 68 110.287 10.867 -4.313 1.00 0.00 C ATOM 1071 O ASN A 68 110.217 10.079 -3.382 1.00 0.00 O ATOM 1072 CB ASN A 68 109.304 12.880 -3.187 1.00 0.00 C ATOM 1073 CG ASN A 68 109.724 14.149 -2.442 1.00 0.00 C ATOM 1074 OD1 ASN A 68 109.284 15.233 -2.768 1.00 0.00 O ATOM 1075 ND2 ASN A 68 110.565 14.059 -1.447 1.00 0.00 N ATOM 0 H ASN A 68 109.781 12.967 -5.969 1.00 0.00 H new ATOM 0 HA ASN A 68 111.416 12.502 -3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 68 108.444 13.088 -3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 68 108.996 12.114 -2.476 1.00 0.00 H new ATOM 0 HD21 ASN A 68 110.852 14.899 -0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 68 110.935 13.149 -1.173 1.00 0.00 H new ATOM 1082 N CYS A 69 110.203 10.453 -5.568 1.00 0.00 N ATOM 1083 CA CYS A 69 110.020 9.000 -5.865 1.00 0.00 C ATOM 1084 C CYS A 69 111.348 8.440 -6.354 1.00 0.00 C ATOM 1085 O CYS A 69 112.109 9.118 -7.009 1.00 0.00 O ATOM 1086 CB CYS A 69 108.970 8.796 -6.964 1.00 0.00 C ATOM 1087 SG CYS A 69 107.343 9.407 -6.430 1.00 0.00 S ATOM 0 H CYS A 69 110.254 11.060 -6.386 1.00 0.00 H new ATOM 0 HA CYS A 69 109.685 8.492 -4.961 1.00 0.00 H new ATOM 0 HB2 CYS A 69 109.280 9.318 -7.869 1.00 0.00 H new ATOM 0 HB3 CYS A 69 108.901 7.737 -7.214 1.00 0.00 H new ATOM 1092 N HIS A 70 111.631 7.208 -6.053 1.00 0.00 N ATOM 1093 CA HIS A 70 112.917 6.609 -6.511 1.00 0.00 C ATOM 1094 C HIS A 70 112.711 5.117 -6.709 1.00 0.00 C ATOM 1095 O HIS A 70 112.011 4.473 -5.953 1.00 0.00 O ATOM 1096 CB HIS A 70 114.029 6.837 -5.476 1.00 0.00 C ATOM 1097 CG HIS A 70 113.704 8.015 -4.601 1.00 0.00 C ATOM 1098 ND1 HIS A 70 114.624 9.023 -4.346 1.00 0.00 N ATOM 1099 CD2 HIS A 70 112.576 8.351 -3.902 1.00 0.00 C ATOM 1100 CE1 HIS A 70 114.035 9.909 -3.522 1.00 0.00 C ATOM 1101 NE2 HIS A 70 112.788 9.545 -3.223 1.00 0.00 N ATOM 0 H HIS A 70 111.030 6.587 -5.510 1.00 0.00 H new ATOM 0 HA HIS A 70 113.218 7.083 -7.445 1.00 0.00 H new ATOM 0 HB2 HIS A 70 114.151 5.944 -4.863 1.00 0.00 H new ATOM 0 HB3 HIS A 70 114.978 7.006 -5.985 1.00 0.00 H new ATOM 0 HD1 HIS A 70 115.573 9.081 -4.716 1.00 0.00 H new ATOM 0 HD2 HIS A 70 111.662 7.776 -3.881 1.00 0.00 H new ATOM 0 HE1 HIS A 70 114.513 10.803 -3.150 1.00 0.00 H new ATOM 0 HE2 HIS A 70 112.128 10.039 -2.622 1.00 0.00 H new ATOM 1110 N GLN A 71 113.295 4.565 -7.731 1.00 0.00 N ATOM 1111 CA GLN A 71 113.107 3.113 -7.991 1.00 0.00 C ATOM 1112 C GLN A 71 114.264 2.299 -7.417 1.00 0.00 C ATOM 1113 O GLN A 71 115.399 2.728 -7.376 1.00 0.00 O ATOM 1114 CB GLN A 71 112.960 2.877 -9.506 1.00 0.00 C ATOM 1115 CG GLN A 71 114.161 2.110 -10.068 1.00 0.00 C ATOM 1116 CD GLN A 71 114.085 2.095 -11.595 1.00 0.00 C ATOM 1117 OE1 GLN A 71 114.223 1.058 -12.212 1.00 0.00 O ATOM 1118 NE2 GLN A 71 113.870 3.211 -12.237 1.00 0.00 N ATOM 0 H GLN A 71 113.893 5.054 -8.397 1.00 0.00 H new ATOM 0 HA GLN A 71 112.197 2.779 -7.492 1.00 0.00 H new ATOM 0 HB2 GLN A 71 112.045 2.319 -9.702 1.00 0.00 H new ATOM 0 HB3 GLN A 71 112.865 3.835 -10.018 1.00 0.00 H new ATOM 0 HG2 GLN A 71 115.090 2.579 -9.744 1.00 0.00 H new ATOM 0 HG3 GLN A 71 114.168 1.090 -9.683 1.00 0.00 H new ATOM 0 HE21 GLN A 71 113.754 4.083 -11.720 1.00 0.00 H new ATOM 0 HE22 GLN A 71 113.818 3.211 -13.256 1.00 0.00 H new ATOM 1127 N SER A 72 113.955 1.116 -6.974 1.00 0.00 N ATOM 1128 CA SER A 72 114.993 0.213 -6.385 1.00 0.00 C ATOM 1129 C SER A 72 116.154 0.021 -7.364 1.00 0.00 C ATOM 1130 O SER A 72 117.041 -0.777 -7.136 1.00 0.00 O ATOM 1131 CB SER A 72 114.364 -1.150 -6.082 1.00 0.00 C ATOM 1132 OG SER A 72 115.365 -2.157 -6.158 1.00 0.00 O ATOM 0 H SER A 72 113.013 0.725 -6.993 1.00 0.00 H new ATOM 0 HA SER A 72 115.372 0.665 -5.469 1.00 0.00 H new ATOM 0 HB2 SER A 72 113.914 -1.143 -5.089 1.00 0.00 H new ATOM 0 HB3 SER A 72 113.565 -1.361 -6.793 1.00 0.00 H new ATOM 0 HG SER A 72 116.240 -1.765 -5.954 1.00 0.00 H new ATOM 1138 N HIS A 73 116.160 0.740 -8.449 1.00 0.00 N ATOM 1139 CA HIS A 73 117.267 0.591 -9.437 1.00 0.00 C ATOM 1140 C HIS A 73 117.500 -0.895 -9.723 1.00 0.00 C ATOM 1141 O HIS A 73 118.486 -1.275 -10.322 1.00 0.00 O ATOM 1142 CB HIS A 73 118.546 1.206 -8.865 1.00 0.00 C ATOM 1143 CG HIS A 73 119.586 1.298 -9.947 1.00 0.00 C ATOM 1144 ND1 HIS A 73 119.354 0.840 -11.237 1.00 0.00 N ATOM 1145 CD2 HIS A 73 120.867 1.794 -9.949 1.00 0.00 C ATOM 1146 CE1 HIS A 73 120.471 1.066 -11.955 1.00 0.00 C ATOM 1147 NE2 HIS A 73 121.419 1.645 -11.216 1.00 0.00 N ATOM 0 H HIS A 73 115.447 1.426 -8.697 1.00 0.00 H new ATOM 0 HA HIS A 73 116.999 1.101 -10.362 1.00 0.00 H new ATOM 0 HB2 HIS A 73 118.337 2.197 -8.462 1.00 0.00 H new ATOM 0 HB3 HIS A 73 118.917 0.598 -8.040 1.00 0.00 H new ATOM 0 HD2 HIS A 73 121.368 2.232 -9.098 1.00 0.00 H new ATOM 0 HE1 HIS A 73 120.585 0.811 -12.998 1.00 0.00 H new ATOM 0 HE2 HIS A 73 122.354 1.921 -11.518 1.00 0.00 H new ATOM 1156 N GLY A 74 116.598 -1.738 -9.298 1.00 0.00 N ATOM 1157 CA GLY A 74 116.764 -3.198 -9.543 1.00 0.00 C ATOM 1158 C GLY A 74 115.449 -3.917 -9.234 1.00 0.00 C ATOM 1159 O GLY A 74 114.572 -3.371 -8.596 1.00 0.00 O ATOM 0 H GLY A 74 115.752 -1.477 -8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 74 117.053 -3.374 -10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.564 -3.594 -8.918 1.00 0.00 H new ATOM 1163 N PRO A 75 115.315 -5.134 -9.689 1.00 0.00 N ATOM 1164 CA PRO A 75 114.084 -5.948 -9.465 1.00 0.00 C ATOM 1165 C PRO A 75 113.952 -6.411 -8.010 1.00 0.00 C ATOM 1166 O PRO A 75 114.802 -7.111 -7.495 1.00 0.00 O ATOM 1167 CB PRO A 75 114.269 -7.149 -10.399 1.00 0.00 C ATOM 1168 CG PRO A 75 115.747 -7.281 -10.577 1.00 0.00 C ATOM 1169 CD PRO A 75 116.324 -5.869 -10.469 1.00 0.00 C ATOM 0 HA PRO A 75 113.177 -5.378 -9.665 1.00 0.00 H new ATOM 0 HB2 PRO A 75 113.842 -8.054 -9.967 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.770 -6.986 -11.354 1.00 0.00 H new ATOM 0 HG2 PRO A 75 116.173 -7.934 -9.815 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.983 -7.724 -11.544 1.00 0.00 H new ATOM 0 HD2 PRO A 75 117.293 -5.870 -9.969 1.00 0.00 H new ATOM 0 HD3 PRO A 75 116.473 -5.422 -11.452 1.00 0.00 H new ATOM 1177 N VAL A 76 112.892 -6.029 -7.342 1.00 0.00 N ATOM 1178 CA VAL A 76 112.705 -6.449 -5.923 1.00 0.00 C ATOM 1179 C VAL A 76 111.551 -7.451 -5.856 1.00 0.00 C ATOM 1180 O VAL A 76 110.545 -7.296 -6.524 1.00 0.00 O ATOM 1181 CB VAL A 76 112.376 -5.216 -5.065 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.617 -4.195 -5.907 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.525 -5.630 -3.859 1.00 0.00 C ATOM 0 H VAL A 76 112.148 -5.443 -7.721 1.00 0.00 H new ATOM 0 HA VAL A 76 113.616 -6.912 -5.545 1.00 0.00 H new ATOM 0 HB VAL A 76 113.304 -4.770 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.384 -3.322 -5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 76 112.232 -3.893 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.691 -4.640 -6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.296 -4.751 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.597 -6.083 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 76 112.076 -6.351 -3.255 1.00 0.00 H new ATOM 1193 N SER A 77 111.680 -8.470 -5.052 1.00 0.00 N ATOM 1194 CA SER A 77 110.581 -9.467 -4.940 1.00 0.00 C ATOM 1195 C SER A 77 109.355 -8.772 -4.353 1.00 0.00 C ATOM 1196 O SER A 77 109.123 -8.801 -3.168 1.00 0.00 O ATOM 1197 CB SER A 77 111.015 -10.609 -4.020 1.00 0.00 C ATOM 1198 OG SER A 77 111.617 -10.067 -2.852 1.00 0.00 O ATOM 0 H SER A 77 112.497 -8.654 -4.470 1.00 0.00 H new ATOM 0 HA SER A 77 110.344 -9.875 -5.923 1.00 0.00 H new ATOM 0 HB2 SER A 77 110.154 -11.221 -3.749 1.00 0.00 H new ATOM 0 HB3 SER A 77 111.719 -11.261 -4.537 1.00 0.00 H new ATOM 0 HG SER A 77 111.895 -10.796 -2.259 1.00 0.00 H new ATOM 1204 N LEU A 78 108.575 -8.135 -5.174 1.00 0.00 N ATOM 1205 CA LEU A 78 107.372 -7.423 -4.665 1.00 0.00 C ATOM 1206 C LEU A 78 106.147 -8.333 -4.755 1.00 0.00 C ATOM 1207 O LEU A 78 106.227 -9.463 -5.196 1.00 0.00 O ATOM 1208 CB LEU A 78 107.141 -6.178 -5.509 1.00 0.00 C ATOM 1209 CG LEU A 78 106.848 -6.574 -6.958 1.00 0.00 C ATOM 1210 CD1 LEU A 78 105.376 -6.984 -7.121 1.00 0.00 C ATOM 1211 CD2 LEU A 78 107.144 -5.379 -7.857 1.00 0.00 C ATOM 0 H LEU A 78 108.718 -8.075 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 78 107.530 -7.144 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 78 106.307 -5.604 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 78 108.020 -5.534 -5.470 1.00 0.00 H new ATOM 0 HG LEU A 78 107.474 -7.423 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 78 105.188 -7.262 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 78 105.161 -7.834 -6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.733 -6.148 -6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.940 -5.645 -8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 78 106.512 -4.540 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 78 108.192 -5.097 -7.754 1.00 0.00 H new ATOM 1223 N THR A 79 105.012 -7.840 -4.345 1.00 0.00 N ATOM 1224 CA THR A 79 103.765 -8.653 -4.404 1.00 0.00 C ATOM 1225 C THR A 79 102.594 -7.756 -4.792 1.00 0.00 C ATOM 1226 O THR A 79 102.138 -6.943 -4.016 1.00 0.00 O ATOM 1227 CB THR A 79 103.502 -9.273 -3.033 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.182 -10.515 -2.944 1.00 0.00 O ATOM 1229 CG2 THR A 79 102.004 -9.503 -2.827 1.00 0.00 C ATOM 0 H THR A 79 104.894 -6.900 -3.968 1.00 0.00 H new ATOM 0 HA THR A 79 103.877 -9.444 -5.146 1.00 0.00 H new ATOM 0 HB THR A 79 103.863 -8.591 -2.263 1.00 0.00 H new ATOM 0 HG1 THR A 79 103.688 -11.116 -2.348 1.00 0.00 H new ATOM 0 HG21 THR A 79 101.835 -9.945 -1.845 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.477 -8.551 -2.891 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.630 -10.177 -3.598 1.00 0.00 H new ATOM 1237 N MET A 80 102.098 -7.902 -5.983 1.00 0.00 N ATOM 1238 CA MET A 80 100.947 -7.060 -6.405 1.00 0.00 C ATOM 1239 C MET A 80 99.638 -7.745 -6.011 1.00 0.00 C ATOM 1240 O MET A 80 99.247 -8.739 -6.594 1.00 0.00 O ATOM 1241 CB MET A 80 100.978 -6.861 -7.923 1.00 0.00 C ATOM 1242 CG MET A 80 102.425 -6.707 -8.388 1.00 0.00 C ATOM 1243 SD MET A 80 102.456 -6.334 -10.160 1.00 0.00 S ATOM 1244 CE MET A 80 101.673 -4.704 -10.072 1.00 0.00 C ATOM 0 H MET A 80 102.436 -8.564 -6.681 1.00 0.00 H new ATOM 0 HA MET A 80 101.015 -6.090 -5.912 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.513 -7.712 -8.421 1.00 0.00 H new ATOM 0 HB3 MET A 80 100.401 -5.977 -8.196 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.914 -5.909 -7.829 1.00 0.00 H new ATOM 0 HG3 MET A 80 102.981 -7.623 -8.189 1.00 0.00 H new ATOM 0 HE1 MET A 80 102.056 -4.072 -10.873 1.00 0.00 H new ATOM 0 HE2 MET A 80 100.594 -4.812 -10.180 1.00 0.00 H new ATOM 0 HE3 MET A 80 101.897 -4.244 -9.109 1.00 0.00 H new ATOM 1254 N CYS A 81 98.948 -7.223 -5.029 1.00 0.00 N ATOM 1255 CA CYS A 81 97.660 -7.846 -4.623 1.00 0.00 C ATOM 1256 C CYS A 81 96.522 -7.145 -5.351 1.00 0.00 C ATOM 1257 O CYS A 81 96.593 -5.964 -5.627 1.00 0.00 O ATOM 1258 CB CYS A 81 97.445 -7.681 -3.124 1.00 0.00 C ATOM 1259 SG CYS A 81 98.963 -8.085 -2.235 1.00 0.00 S ATOM 0 H CYS A 81 99.222 -6.398 -4.496 1.00 0.00 H new ATOM 0 HA CYS A 81 97.685 -8.907 -4.873 1.00 0.00 H new ATOM 0 HB2 CYS A 81 97.145 -6.657 -2.902 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.635 -8.330 -2.791 1.00 0.00 H new ATOM 1264 N LYS A 82 95.467 -7.849 -5.661 1.00 0.00 N ATOM 1265 CA LYS A 82 94.336 -7.207 -6.362 1.00 0.00 C ATOM 1266 C LYS A 82 93.031 -7.611 -5.677 1.00 0.00 C ATOM 1267 O LYS A 82 92.942 -8.652 -5.057 1.00 0.00 O ATOM 1268 CB LYS A 82 94.330 -7.648 -7.832 1.00 0.00 C ATOM 1269 CG LYS A 82 93.335 -8.792 -8.021 1.00 0.00 C ATOM 1270 CD LYS A 82 93.532 -9.432 -9.401 1.00 0.00 C ATOM 1271 CE LYS A 82 94.878 -10.166 -9.456 1.00 0.00 C ATOM 1272 NZ LYS A 82 94.769 -11.326 -10.386 1.00 0.00 N ATOM 0 H LYS A 82 95.346 -8.841 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 82 94.438 -6.122 -6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 82 94.060 -6.809 -8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 82 95.328 -7.968 -8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.475 -9.540 -7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.315 -8.418 -7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.720 -10.130 -9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.496 -8.665 -10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 82 95.662 -9.488 -9.793 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.159 -10.509 -8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 95.680 -11.826 -10.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.032 -11.976 -10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 94.519 -10.986 -11.337 1.00 0.00 H new ATOM 1286 N LEU A 83 92.017 -6.805 -5.788 1.00 0.00 N ATOM 1287 CA LEU A 83 90.727 -7.163 -5.145 1.00 0.00 C ATOM 1288 C LEU A 83 90.065 -8.259 -5.966 1.00 0.00 C ATOM 1289 O LEU A 83 89.606 -8.044 -7.070 1.00 0.00 O ATOM 1290 CB LEU A 83 89.810 -5.939 -5.057 1.00 0.00 C ATOM 1291 CG LEU A 83 88.398 -6.364 -4.623 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.490 -7.336 -3.452 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.607 -5.136 -4.169 1.00 0.00 C ATOM 0 H LEU A 83 92.025 -5.919 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 83 90.910 -7.517 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.217 -5.221 -4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.766 -5.438 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 83 87.900 -6.841 -5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.487 -7.635 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.055 -8.218 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 83 88.994 -6.851 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.606 -5.441 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 83 88.117 -4.665 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.533 -4.426 -4.993 1.00 0.00 H new ATOM 1305 N THR A 84 90.026 -9.437 -5.426 1.00 0.00 N ATOM 1306 CA THR A 84 89.409 -10.572 -6.155 1.00 0.00 C ATOM 1307 C THR A 84 87.905 -10.334 -6.288 1.00 0.00 C ATOM 1308 O THR A 84 87.354 -10.458 -7.363 1.00 0.00 O ATOM 1309 CB THR A 84 89.674 -11.878 -5.398 1.00 0.00 C ATOM 1310 OG1 THR A 84 88.946 -11.874 -4.180 1.00 0.00 O ATOM 1311 CG2 THR A 84 91.176 -12.014 -5.102 1.00 0.00 C ATOM 0 H THR A 84 90.397 -9.666 -4.504 1.00 0.00 H new ATOM 0 HA THR A 84 89.847 -10.648 -7.150 1.00 0.00 H new ATOM 0 HB THR A 84 89.354 -12.721 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.062 -11.010 -3.733 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.358 -12.944 -4.564 1.00 0.00 H new ATOM 0 HG22 THR A 84 91.732 -12.022 -6.039 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.504 -11.172 -4.493 1.00 0.00 H new ATOM 1319 N SER A 85 87.231 -9.977 -5.219 1.00 0.00 N ATOM 1320 CA SER A 85 85.755 -9.724 -5.341 1.00 0.00 C ATOM 1321 C SER A 85 85.074 -9.721 -3.966 1.00 0.00 C ATOM 1322 O SER A 85 85.562 -10.289 -3.010 1.00 0.00 O ATOM 1323 CB SER A 85 85.116 -10.815 -6.211 1.00 0.00 C ATOM 1324 OG SER A 85 85.900 -11.998 -6.130 1.00 0.00 O ATOM 0 H SER A 85 87.626 -9.852 -4.287 1.00 0.00 H new ATOM 0 HA SER A 85 85.619 -8.744 -5.799 1.00 0.00 H new ATOM 0 HB2 SER A 85 84.099 -11.015 -5.875 1.00 0.00 H new ATOM 0 HB3 SER A 85 85.049 -10.479 -7.246 1.00 0.00 H new ATOM 0 HG SER A 85 86.475 -12.064 -6.920 1.00 0.00 H new ATOM 1330 N GLY A 86 83.931 -9.085 -3.880 1.00 0.00 N ATOM 1331 CA GLY A 86 83.176 -9.029 -2.597 1.00 0.00 C ATOM 1332 C GLY A 86 82.496 -7.664 -2.486 1.00 0.00 C ATOM 1333 O GLY A 86 81.293 -7.563 -2.546 1.00 0.00 O ATOM 0 H GLY A 86 83.486 -8.597 -4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 86 82.433 -9.825 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 86 83.850 -9.185 -1.755 1.00 0.00 H new ATOM 1337 N LYS A 87 83.284 -6.627 -2.333 1.00 0.00 N ATOM 1338 CA LYS A 87 82.765 -5.226 -2.218 1.00 0.00 C ATOM 1339 C LYS A 87 83.743 -4.432 -1.350 1.00 0.00 C ATOM 1340 O LYS A 87 84.923 -4.381 -1.628 1.00 0.00 O ATOM 1341 CB LYS A 87 81.372 -5.213 -1.575 1.00 0.00 C ATOM 1342 CG LYS A 87 80.300 -5.376 -2.656 1.00 0.00 C ATOM 1343 CD LYS A 87 79.561 -4.048 -2.874 1.00 0.00 C ATOM 1344 CE LYS A 87 78.747 -3.684 -1.623 1.00 0.00 C ATOM 1345 NZ LYS A 87 79.484 -2.656 -0.835 1.00 0.00 N ATOM 0 H LYS A 87 84.300 -6.697 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 87 82.680 -4.782 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.291 -6.018 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 87 81.219 -4.278 -1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 87 80.760 -5.702 -3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 87 79.592 -6.151 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 87 80.277 -3.256 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 87 78.900 -4.128 -3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 87 77.767 -3.304 -1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 87 78.578 -4.572 -1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 79.673 -3.021 0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 80.385 -2.437 -1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 78.909 -1.792 -0.768 1.00 0.00 H new ATOM 1359 N TYR A 88 83.271 -3.829 -0.293 1.00 0.00 N ATOM 1360 CA TYR A 88 84.184 -3.064 0.602 1.00 0.00 C ATOM 1361 C TYR A 88 84.260 -3.770 1.965 1.00 0.00 C ATOM 1362 O TYR A 88 85.323 -3.896 2.540 1.00 0.00 O ATOM 1363 CB TYR A 88 83.693 -1.616 0.768 1.00 0.00 C ATOM 1364 CG TYR A 88 83.944 -1.161 2.187 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.210 -1.332 2.765 1.00 0.00 C ATOM 1366 CD2 TYR A 88 82.905 -0.605 2.932 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.429 -0.949 4.092 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.124 -0.213 4.257 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.385 -0.389 4.839 1.00 0.00 C ATOM 1370 OH TYR A 88 84.597 -0.013 6.150 1.00 0.00 O ATOM 0 H TYR A 88 82.291 -3.833 -0.011 1.00 0.00 H new ATOM 0 HA TYR A 88 85.179 -3.029 0.158 1.00 0.00 H new ATOM 0 HB2 TYR A 88 84.212 -0.962 0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.630 -1.552 0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 88 86.015 -1.759 2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 88 81.930 -0.477 2.486 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.402 -1.085 4.540 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.321 0.225 4.831 1.00 0.00 H new ATOM 0 HH TYR A 88 83.770 0.358 6.522 1.00 0.00 H new ATOM 1380 N PRO A 89 83.151 -4.232 2.485 1.00 0.00 N ATOM 1381 CA PRO A 89 83.119 -4.926 3.792 1.00 0.00 C ATOM 1382 C PRO A 89 83.325 -6.440 3.643 1.00 0.00 C ATOM 1383 O PRO A 89 83.455 -7.156 4.616 1.00 0.00 O ATOM 1384 CB PRO A 89 81.712 -4.618 4.302 1.00 0.00 C ATOM 1385 CG PRO A 89 80.864 -4.480 3.072 1.00 0.00 C ATOM 1386 CD PRO A 89 81.805 -4.153 1.899 1.00 0.00 C ATOM 0 HA PRO A 89 83.913 -4.598 4.463 1.00 0.00 H new ATOM 0 HB2 PRO A 89 81.344 -5.417 4.946 1.00 0.00 H new ATOM 0 HB3 PRO A 89 81.700 -3.702 4.892 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.315 -5.402 2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.124 -3.690 3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.684 -4.863 1.081 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.605 -3.162 1.492 1.00 0.00 H new ATOM 1394 N ASN A 90 83.345 -6.931 2.429 1.00 0.00 N ATOM 1395 CA ASN A 90 83.531 -8.398 2.211 1.00 0.00 C ATOM 1396 C ASN A 90 84.453 -8.629 1.012 1.00 0.00 C ATOM 1397 O ASN A 90 84.349 -9.621 0.320 1.00 0.00 O ATOM 1398 CB ASN A 90 82.167 -9.032 1.923 1.00 0.00 C ATOM 1399 CG ASN A 90 82.158 -10.486 2.400 1.00 0.00 C ATOM 1400 OD1 ASN A 90 82.077 -10.749 3.583 1.00 0.00 O ATOM 1401 ND2 ASN A 90 82.238 -11.449 1.522 1.00 0.00 N ATOM 0 H ASN A 90 83.240 -6.378 1.578 1.00 0.00 H new ATOM 0 HA ASN A 90 83.975 -8.846 3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 90 81.381 -8.470 2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 90 81.954 -8.989 0.855 1.00 0.00 H new ATOM 0 HD21 ASN A 90 82.232 -12.421 1.830 1.00 0.00 H new ATOM 0 HD22 ASN A 90 82.306 -11.229 0.528 1.00 0.00 H new ATOM 1408 N CYS A 91 85.342 -7.714 0.753 1.00 0.00 N ATOM 1409 CA CYS A 91 86.257 -7.858 -0.412 1.00 0.00 C ATOM 1410 C CYS A 91 87.447 -8.754 -0.051 1.00 0.00 C ATOM 1411 O CYS A 91 88.144 -8.525 0.918 1.00 0.00 O ATOM 1412 CB CYS A 91 86.753 -6.461 -0.807 1.00 0.00 C ATOM 1413 SG CYS A 91 86.275 -5.278 0.473 1.00 0.00 S ATOM 0 H CYS A 91 85.475 -6.865 1.303 1.00 0.00 H new ATOM 0 HA CYS A 91 85.726 -8.321 -1.244 1.00 0.00 H new ATOM 0 HB2 CYS A 91 87.836 -6.467 -0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.327 -6.169 -1.767 1.00 0.00 H new ATOM 1418 N ARG A 92 87.689 -9.765 -0.847 1.00 0.00 N ATOM 1419 CA ARG A 92 88.840 -10.683 -0.592 1.00 0.00 C ATOM 1420 C ARG A 92 89.900 -10.418 -1.663 1.00 0.00 C ATOM 1421 O ARG A 92 89.572 -10.152 -2.810 1.00 0.00 O ATOM 1422 CB ARG A 92 88.368 -12.141 -0.671 1.00 0.00 C ATOM 1423 CG ARG A 92 87.171 -12.244 -1.618 1.00 0.00 C ATOM 1424 CD ARG A 92 86.947 -13.708 -2.002 1.00 0.00 C ATOM 1425 NE ARG A 92 87.076 -14.565 -0.790 1.00 0.00 N ATOM 1426 CZ ARG A 92 87.147 -15.862 -0.913 1.00 0.00 C ATOM 1427 NH1 ARG A 92 87.105 -16.409 -2.097 1.00 0.00 N ATOM 1428 NH2 ARG A 92 87.260 -16.613 0.149 1.00 0.00 N ATOM 0 H ARG A 92 87.133 -9.995 -1.670 1.00 0.00 H new ATOM 0 HA ARG A 92 89.255 -10.508 0.401 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.179 -12.778 -1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.091 -12.498 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 92 86.279 -11.843 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 92 87.349 -11.646 -2.512 1.00 0.00 H new ATOM 0 HD2 ARG A 92 85.959 -13.832 -2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 92 87.674 -14.013 -2.755 1.00 0.00 H new ATOM 0 HE ARG A 92 87.109 -14.138 0.136 1.00 0.00 H new ATOM 0 HH11 ARG A 92 87.017 -15.823 -2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 92 87.161 -17.423 -2.193 1.00 0.00 H new ATOM 0 HH21 ARG A 92 87.293 -16.186 1.075 1.00 0.00 H new ATOM 0 HH22 ARG A 92 87.315 -17.627 0.053 1.00 0.00 H new ATOM 1442 N TYR A 93 91.162 -10.452 -1.299 1.00 0.00 N ATOM 1443 CA TYR A 93 92.235 -10.162 -2.289 1.00 0.00 C ATOM 1444 C TYR A 93 93.135 -11.373 -2.496 1.00 0.00 C ATOM 1445 O TYR A 93 93.175 -12.290 -1.699 1.00 0.00 O ATOM 1446 CB TYR A 93 93.088 -9.008 -1.768 1.00 0.00 C ATOM 1447 CG TYR A 93 92.203 -7.812 -1.547 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.216 -7.847 -0.555 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.357 -6.675 -2.343 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.387 -6.746 -0.360 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.523 -5.575 -2.149 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.539 -5.611 -1.157 1.00 0.00 C ATOM 1453 OH TYR A 93 89.719 -4.530 -0.967 1.00 0.00 O ATOM 0 H TYR A 93 91.489 -10.669 -0.357 1.00 0.00 H new ATOM 0 HA TYR A 93 91.767 -9.906 -3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.578 -9.292 -0.837 1.00 0.00 H new ATOM 0 HB3 TYR A 93 93.875 -8.768 -2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.098 -8.728 0.059 1.00 0.00 H new ATOM 0 HD2 TYR A 93 93.120 -6.648 -3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 93 89.627 -6.770 0.407 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.637 -4.695 -2.765 1.00 0.00 H new ATOM 0 HH TYR A 93 89.073 -4.730 -0.258 1.00 0.00 H new ATOM 1463 N LYS A 94 93.879 -11.348 -3.562 1.00 0.00 N ATOM 1464 CA LYS A 94 94.828 -12.447 -3.869 1.00 0.00 C ATOM 1465 C LYS A 94 96.221 -11.832 -3.945 1.00 0.00 C ATOM 1466 O LYS A 94 96.406 -10.772 -4.515 1.00 0.00 O ATOM 1467 CB LYS A 94 94.464 -13.087 -5.215 1.00 0.00 C ATOM 1468 CG LYS A 94 93.618 -14.343 -4.977 1.00 0.00 C ATOM 1469 CD LYS A 94 94.492 -15.460 -4.377 1.00 0.00 C ATOM 1470 CE LYS A 94 94.513 -16.667 -5.320 1.00 0.00 C ATOM 1471 NZ LYS A 94 95.493 -17.671 -4.819 1.00 0.00 N ATOM 0 H LYS A 94 93.868 -10.594 -4.249 1.00 0.00 H new ATOM 0 HA LYS A 94 94.789 -13.221 -3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 94 93.912 -12.376 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.370 -13.345 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 94 92.793 -14.113 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 94 93.178 -14.679 -5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 94 95.506 -15.094 -4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 94 94.102 -15.755 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 94 93.520 -17.112 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 94 94.783 -16.350 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 95.508 -18.491 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 96.440 -17.243 -4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 95.216 -17.981 -3.866 1.00 0.00 H new ATOM 1485 N GLU A 95 97.195 -12.466 -3.360 1.00 0.00 N ATOM 1486 CA GLU A 95 98.568 -11.895 -3.384 1.00 0.00 C ATOM 1487 C GLU A 95 99.337 -12.448 -4.588 1.00 0.00 C ATOM 1488 O GLU A 95 99.448 -13.644 -4.772 1.00 0.00 O ATOM 1489 CB GLU A 95 99.282 -12.259 -2.070 1.00 0.00 C ATOM 1490 CG GLU A 95 100.065 -13.562 -2.231 1.00 0.00 C ATOM 1491 CD GLU A 95 100.522 -14.057 -0.858 1.00 0.00 C ATOM 1492 OE1 GLU A 95 101.588 -13.650 -0.427 1.00 0.00 O ATOM 1493 OE2 GLU A 95 99.797 -14.836 -0.259 1.00 0.00 O ATOM 0 H GLU A 95 97.101 -13.354 -2.867 1.00 0.00 H new ATOM 0 HA GLU A 95 98.521 -10.810 -3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 95 99.958 -11.454 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 95 98.551 -12.364 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.442 -14.316 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 95 100.928 -13.402 -2.877 1.00 0.00 H new ATOM 1500 N LYS A 96 99.872 -11.585 -5.408 1.00 0.00 N ATOM 1501 CA LYS A 96 100.641 -12.059 -6.595 1.00 0.00 C ATOM 1502 C LYS A 96 102.115 -11.705 -6.402 1.00 0.00 C ATOM 1503 O LYS A 96 102.501 -10.560 -6.485 1.00 0.00 O ATOM 1504 CB LYS A 96 100.110 -11.360 -7.849 1.00 0.00 C ATOM 1505 CG LYS A 96 100.599 -12.102 -9.095 1.00 0.00 C ATOM 1506 CD LYS A 96 100.322 -11.252 -10.337 1.00 0.00 C ATOM 1507 CE LYS A 96 100.759 -12.017 -11.587 1.00 0.00 C ATOM 1508 NZ LYS A 96 99.778 -13.102 -11.874 1.00 0.00 N ATOM 0 H LYS A 96 99.810 -10.572 -5.308 1.00 0.00 H new ATOM 0 HA LYS A 96 100.531 -13.138 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 96 99.020 -11.337 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 96 100.450 -10.325 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 96 101.666 -12.308 -9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 96 100.094 -13.064 -9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 96 99.260 -11.012 -10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 96 100.859 -10.306 -10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 96 100.826 -11.338 -12.437 1.00 0.00 H new ATOM 0 HE3 LYS A 96 101.752 -12.440 -11.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 99.956 -13.488 -12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 99.880 -13.858 -11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 98.813 -12.717 -11.832 1.00 0.00 H new ATOM 1522 N ARG A 97 102.940 -12.678 -6.142 1.00 0.00 N ATOM 1523 CA ARG A 97 104.390 -12.390 -5.935 1.00 0.00 C ATOM 1524 C ARG A 97 105.077 -12.116 -7.274 1.00 0.00 C ATOM 1525 O ARG A 97 105.269 -13.007 -8.077 1.00 0.00 O ATOM 1526 CB ARG A 97 105.061 -13.592 -5.265 1.00 0.00 C ATOM 1527 CG ARG A 97 106.585 -13.478 -5.410 1.00 0.00 C ATOM 1528 CD ARG A 97 107.270 -14.288 -4.308 1.00 0.00 C ATOM 1529 NE ARG A 97 108.689 -14.541 -4.686 1.00 0.00 N ATOM 1530 CZ ARG A 97 109.527 -15.005 -3.800 1.00 0.00 C ATOM 1531 NH1 ARG A 97 109.124 -15.246 -2.583 1.00 0.00 N ATOM 1532 NH2 ARG A 97 110.770 -15.227 -4.132 1.00 0.00 N ATOM 0 H ARG A 97 102.676 -13.660 -6.063 1.00 0.00 H new ATOM 0 HA ARG A 97 104.483 -11.509 -5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 97 104.788 -13.633 -4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 97 104.710 -14.518 -5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 97 106.895 -13.843 -6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 97 106.889 -12.433 -5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 97 107.225 -13.747 -3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 97 106.748 -15.233 -4.159 1.00 0.00 H new ATOM 0 HE ARG A 97 109.005 -14.352 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 97 108.153 -15.072 -2.323 1.00 0.00 H new ATOM 0 HH12 ARG A 97 109.780 -15.609 -1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 97 111.085 -15.038 -5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 97 111.426 -15.590 -3.440 1.00 0.00 H new ATOM 1546 N GLN A 98 105.474 -10.891 -7.506 1.00 0.00 N ATOM 1547 CA GLN A 98 106.180 -10.556 -8.777 1.00 0.00 C ATOM 1548 C GLN A 98 107.555 -9.977 -8.425 1.00 0.00 C ATOM 1549 O GLN A 98 107.824 -9.661 -7.288 1.00 0.00 O ATOM 1550 CB GLN A 98 105.357 -9.527 -9.568 1.00 0.00 C ATOM 1551 CG GLN A 98 104.685 -10.206 -10.766 1.00 0.00 C ATOM 1552 CD GLN A 98 105.753 -10.667 -11.760 1.00 0.00 C ATOM 1553 OE1 GLN A 98 106.914 -10.339 -11.618 1.00 0.00 O ATOM 1554 NE2 GLN A 98 105.406 -11.420 -12.768 1.00 0.00 N ATOM 0 H GLN A 98 105.339 -10.107 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 98 106.301 -11.448 -9.392 1.00 0.00 H new ATOM 0 HB2 GLN A 98 104.602 -9.079 -8.922 1.00 0.00 H new ATOM 0 HB3 GLN A 98 106.003 -8.719 -9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 98 104.095 -11.058 -10.430 1.00 0.00 H new ATOM 0 HG3 GLN A 98 103.997 -9.513 -11.251 1.00 0.00 H new ATOM 0 HE21 GLN A 98 104.431 -11.695 -12.887 1.00 0.00 H new ATOM 0 HE22 GLN A 98 106.110 -11.733 -13.437 1.00 0.00 H new ATOM 1563 N ASN A 99 108.424 -9.837 -9.389 1.00 0.00 N ATOM 1564 CA ASN A 99 109.782 -9.271 -9.111 1.00 0.00 C ATOM 1565 C ASN A 99 110.061 -8.162 -10.113 1.00 0.00 C ATOM 1566 O ASN A 99 110.279 -8.407 -11.283 1.00 0.00 O ATOM 1567 CB ASN A 99 110.836 -10.371 -9.257 1.00 0.00 C ATOM 1568 CG ASN A 99 110.410 -11.597 -8.447 1.00 0.00 C ATOM 1569 OD1 ASN A 99 109.320 -12.106 -8.621 1.00 0.00 O ATOM 1570 ND2 ASN A 99 111.229 -12.097 -7.563 1.00 0.00 N ATOM 0 H ASN A 99 108.254 -10.090 -10.362 1.00 0.00 H new ATOM 0 HA ASN A 99 109.820 -8.874 -8.096 1.00 0.00 H new ATOM 0 HB2 ASN A 99 110.954 -10.639 -10.307 1.00 0.00 H new ATOM 0 HB3 ASN A 99 111.804 -10.010 -8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 99 110.954 -12.915 -7.018 1.00 0.00 H new ATOM 0 HD22 ASN A 99 112.144 -11.670 -7.417 1.00 0.00 H new ATOM 1577 N LYS A 100 110.059 -6.941 -9.664 1.00 0.00 N ATOM 1578 CA LYS A 100 110.318 -5.807 -10.590 1.00 0.00 C ATOM 1579 C LYS A 100 110.812 -4.611 -9.782 1.00 0.00 C ATOM 1580 O LYS A 100 110.570 -4.508 -8.597 1.00 0.00 O ATOM 1581 CB LYS A 100 109.026 -5.422 -11.335 1.00 0.00 C ATOM 1582 CG LYS A 100 108.035 -6.595 -11.348 1.00 0.00 C ATOM 1583 CD LYS A 100 106.700 -6.131 -11.943 1.00 0.00 C ATOM 1584 CE LYS A 100 106.085 -7.253 -12.783 1.00 0.00 C ATOM 1585 NZ LYS A 100 104.793 -6.789 -13.362 1.00 0.00 N ATOM 0 H LYS A 100 109.889 -6.678 -8.693 1.00 0.00 H new ATOM 0 HA LYS A 100 111.071 -6.103 -11.321 1.00 0.00 H new ATOM 0 HB2 LYS A 100 108.567 -4.558 -10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 100 109.264 -5.129 -12.358 1.00 0.00 H new ATOM 0 HG2 LYS A 100 108.439 -7.420 -11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.884 -6.968 -10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 100 106.015 -5.846 -11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.855 -5.246 -12.560 1.00 0.00 H new ATOM 0 HE2 LYS A 100 106.770 -7.542 -13.580 1.00 0.00 H new ATOM 0 HE3 LYS A 100 105.923 -8.137 -12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 104.375 -7.551 -13.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 104.140 -6.534 -12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 104.961 -5.958 -13.964 1.00 0.00 H new ATOM 1599 N SER A 101 111.490 -3.700 -10.416 1.00 0.00 N ATOM 1600 CA SER A 101 111.986 -2.504 -9.685 1.00 0.00 C ATOM 1601 C SER A 101 110.844 -1.500 -9.604 1.00 0.00 C ATOM 1602 O SER A 101 110.365 -1.018 -10.606 1.00 0.00 O ATOM 1603 CB SER A 101 113.162 -1.893 -10.445 1.00 0.00 C ATOM 1604 OG SER A 101 113.902 -2.929 -11.076 1.00 0.00 O ATOM 0 H SER A 101 111.723 -3.731 -11.409 1.00 0.00 H new ATOM 0 HA SER A 101 112.321 -2.777 -8.684 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.800 -1.184 -11.189 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.803 -1.337 -9.761 1.00 0.00 H new ATOM 0 HG SER A 101 114.657 -2.540 -11.566 1.00 0.00 H new ATOM 1610 N TYR A 102 110.383 -1.196 -8.424 1.00 0.00 N ATOM 1611 CA TYR A 102 109.247 -0.246 -8.299 1.00 0.00 C ATOM 1612 C TYR A 102 109.755 1.120 -7.909 1.00 0.00 C ATOM 1613 O TYR A 102 110.939 1.358 -7.850 1.00 0.00 O ATOM 1614 CB TYR A 102 108.324 -0.731 -7.190 1.00 0.00 C ATOM 1615 CG TYR A 102 109.158 -1.079 -5.973 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.961 -0.109 -5.344 1.00 0.00 C ATOM 1617 CD2 TYR A 102 109.134 -2.380 -5.474 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.727 -0.453 -4.224 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.895 -2.717 -4.353 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.692 -1.756 -3.729 1.00 0.00 C ATOM 1621 OH TYR A 102 111.450 -2.098 -2.629 1.00 0.00 O ATOM 0 H TYR A 102 110.743 -1.564 -7.543 1.00 0.00 H new ATOM 0 HA TYR A 102 108.724 -0.191 -9.254 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.597 0.042 -6.940 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.761 -1.603 -7.523 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.986 0.901 -5.726 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.525 -3.130 -5.956 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.345 0.291 -3.743 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.867 -3.725 -3.967 1.00 0.00 H new ATOM 0 HH TYR A 102 111.004 -2.817 -2.135 1.00 0.00 H new ATOM 1631 N VAL A 103 108.854 2.010 -7.605 1.00 0.00 N ATOM 1632 CA VAL A 103 109.271 3.369 -7.170 1.00 0.00 C ATOM 1633 C VAL A 103 108.467 3.770 -5.956 1.00 0.00 C ATOM 1634 O VAL A 103 107.270 3.963 -6.020 1.00 0.00 O ATOM 1635 CB VAL A 103 109.042 4.380 -8.278 1.00 0.00 C ATOM 1636 CG1 VAL A 103 110.110 5.473 -8.203 1.00 0.00 C ATOM 1637 CG2 VAL A 103 109.129 3.665 -9.608 1.00 0.00 C ATOM 0 H VAL A 103 107.847 1.854 -7.639 1.00 0.00 H new ATOM 0 HA VAL A 103 110.334 3.350 -6.928 1.00 0.00 H new ATOM 0 HB VAL A 103 108.060 4.840 -8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 103 109.945 6.199 -8.999 1.00 0.00 H new ATOM 0 HG12 VAL A 103 110.050 5.974 -7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 103 111.097 5.026 -8.319 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.966 4.378 -10.416 1.00 0.00 H new ATOM 0 HG22 VAL A 103 110.116 3.214 -9.715 1.00 0.00 H new ATOM 0 HG23 VAL A 103 108.368 2.886 -9.653 1.00 0.00 H new ATOM 1647 N VAL A 104 109.125 3.906 -4.852 1.00 0.00 N ATOM 1648 CA VAL A 104 108.420 4.306 -3.611 1.00 0.00 C ATOM 1649 C VAL A 104 108.885 5.713 -3.227 1.00 0.00 C ATOM 1650 O VAL A 104 110.015 6.089 -3.475 1.00 0.00 O ATOM 1651 CB VAL A 104 108.712 3.281 -2.491 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.659 2.195 -3.008 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.340 3.971 -1.274 1.00 0.00 C ATOM 0 H VAL A 104 110.129 3.757 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 104 107.341 4.321 -3.765 1.00 0.00 H new ATOM 0 HB VAL A 104 107.768 2.827 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.859 1.478 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 104 109.198 1.682 -3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.595 2.651 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.537 3.231 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.276 4.447 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.654 4.726 -0.890 1.00 0.00 H new ATOM 1663 N ALA A 105 108.025 6.499 -2.634 1.00 0.00 N ATOM 1664 CA ALA A 105 108.428 7.874 -2.248 1.00 0.00 C ATOM 1665 C ALA A 105 108.916 7.852 -0.808 1.00 0.00 C ATOM 1666 O ALA A 105 108.733 6.879 -0.105 1.00 0.00 O ATOM 1667 CB ALA A 105 107.233 8.815 -2.389 1.00 0.00 C ATOM 0 H ALA A 105 107.065 6.245 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 105 109.228 8.229 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.530 9.825 -2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.890 8.815 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.426 8.478 -1.739 1.00 0.00 H new ATOM 1673 N CYS A 106 109.566 8.893 -0.365 1.00 0.00 N ATOM 1674 CA CYS A 106 110.087 8.881 1.038 1.00 0.00 C ATOM 1675 C CYS A 106 109.671 10.135 1.807 1.00 0.00 C ATOM 1676 O CYS A 106 109.367 11.165 1.238 1.00 0.00 O ATOM 1677 CB CYS A 106 111.615 8.792 1.007 1.00 0.00 C ATOM 1678 SG CYS A 106 112.185 8.852 -0.704 1.00 0.00 S ATOM 0 H CYS A 106 109.758 9.740 -0.900 1.00 0.00 H new ATOM 0 HA CYS A 106 109.663 8.016 1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 106 112.050 9.614 1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 106 111.946 7.867 1.480 1.00 0.00 H new ATOM 1683 N LYS A 107 109.674 10.042 3.113 1.00 0.00 N ATOM 1684 CA LYS A 107 109.301 11.211 3.958 1.00 0.00 C ATOM 1685 C LYS A 107 110.056 11.134 5.289 1.00 0.00 C ATOM 1686 O LYS A 107 110.519 10.079 5.693 1.00 0.00 O ATOM 1687 CB LYS A 107 107.791 11.189 4.227 1.00 0.00 C ATOM 1688 CG LYS A 107 107.071 11.996 3.146 1.00 0.00 C ATOM 1689 CD LYS A 107 105.570 12.040 3.447 1.00 0.00 C ATOM 1690 CE LYS A 107 104.802 12.416 2.179 1.00 0.00 C ATOM 1691 NZ LYS A 107 103.346 12.494 2.484 1.00 0.00 N ATOM 0 H LYS A 107 109.921 9.199 3.631 1.00 0.00 H new ATOM 0 HA LYS A 107 109.563 12.134 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.426 10.162 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.580 11.608 5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.473 13.008 3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 107 107.242 11.546 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 107 105.234 11.070 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 107 105.368 12.766 4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 107 105.156 13.374 1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 107 104.982 11.676 1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 102.824 12.750 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 103.014 11.571 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 103.183 13.216 3.215 1.00 0.00 H new ATOM 1705 N PRO A 108 110.173 12.245 5.969 1.00 0.00 N ATOM 1706 CA PRO A 108 110.870 12.306 7.284 1.00 0.00 C ATOM 1707 C PRO A 108 110.126 11.495 8.358 1.00 0.00 C ATOM 1708 O PRO A 108 108.921 11.590 8.485 1.00 0.00 O ATOM 1709 CB PRO A 108 110.870 13.801 7.639 1.00 0.00 C ATOM 1710 CG PRO A 108 109.766 14.401 6.831 1.00 0.00 C ATOM 1711 CD PRO A 108 109.662 13.564 5.559 1.00 0.00 C ATOM 0 HA PRO A 108 111.872 11.880 7.235 1.00 0.00 H new ATOM 0 HB2 PRO A 108 110.703 13.951 8.706 1.00 0.00 H new ATOM 0 HB3 PRO A 108 111.828 14.262 7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 108 108.827 14.386 7.384 1.00 0.00 H new ATOM 0 HG3 PRO A 108 109.980 15.443 6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 108 108.634 13.502 5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 108 110.255 13.990 4.749 1.00 0.00 H new ATOM 1719 N PRO A 109 110.834 10.709 9.129 1.00 0.00 N ATOM 1720 CA PRO A 109 110.221 9.884 10.206 1.00 0.00 C ATOM 1721 C PRO A 109 109.275 10.719 11.076 1.00 0.00 C ATOM 1722 O PRO A 109 109.703 11.504 11.898 1.00 0.00 O ATOM 1723 CB PRO A 109 111.419 9.382 11.021 1.00 0.00 C ATOM 1724 CG PRO A 109 112.617 9.504 10.138 1.00 0.00 C ATOM 1725 CD PRO A 109 112.289 10.533 9.057 1.00 0.00 C ATOM 0 HA PRO A 109 109.614 9.070 9.810 1.00 0.00 H new ATOM 0 HB2 PRO A 109 111.545 9.972 11.929 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.270 8.348 11.332 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.487 9.818 10.714 1.00 0.00 H new ATOM 0 HG3 PRO A 109 112.862 8.541 9.689 1.00 0.00 H new ATOM 0 HD2 PRO A 109 112.810 11.474 9.237 1.00 0.00 H new ATOM 0 HD3 PRO A 109 112.596 10.182 8.072 1.00 0.00 H new ATOM 1733 N GLN A 110 107.992 10.564 10.886 1.00 0.00 N ATOM 1734 CA GLN A 110 107.012 11.355 11.684 1.00 0.00 C ATOM 1735 C GLN A 110 107.389 11.312 13.166 1.00 0.00 C ATOM 1736 O GLN A 110 108.248 12.041 13.621 1.00 0.00 O ATOM 1737 CB GLN A 110 105.613 10.763 11.498 1.00 0.00 C ATOM 1738 CG GLN A 110 105.259 10.743 10.010 1.00 0.00 C ATOM 1739 CD GLN A 110 104.928 12.161 9.544 1.00 0.00 C ATOM 1740 OE1 GLN A 110 104.445 12.969 10.312 1.00 0.00 O ATOM 1741 NE2 GLN A 110 105.170 12.501 8.307 1.00 0.00 N ATOM 0 H GLN A 110 107.580 9.921 10.210 1.00 0.00 H new ATOM 0 HA GLN A 110 107.023 12.390 11.342 1.00 0.00 H new ATOM 0 HB2 GLN A 110 105.578 9.752 11.904 1.00 0.00 H new ATOM 0 HB3 GLN A 110 104.881 11.354 12.049 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.093 10.345 9.432 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.408 10.084 9.837 1.00 0.00 H new ATOM 0 HE21 GLN A 110 105.576 11.823 7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 110 104.954 13.445 7.986 1.00 0.00 H new ATOM 1750 N LYS A 111 106.745 10.464 13.921 1.00 0.00 N ATOM 1751 CA LYS A 111 107.050 10.365 15.378 1.00 0.00 C ATOM 1752 C LYS A 111 107.242 8.897 15.752 1.00 0.00 C ATOM 1753 O LYS A 111 107.841 8.576 16.759 1.00 0.00 O ATOM 1754 CB LYS A 111 105.887 10.946 16.180 1.00 0.00 C ATOM 1755 CG LYS A 111 104.594 10.200 15.830 1.00 0.00 C ATOM 1756 CD LYS A 111 103.388 11.094 16.128 1.00 0.00 C ATOM 1757 CE LYS A 111 103.343 11.411 17.624 1.00 0.00 C ATOM 1758 NZ LYS A 111 103.427 10.143 18.403 1.00 0.00 N ATOM 0 H LYS A 111 106.016 9.832 13.590 1.00 0.00 H new ATOM 0 HA LYS A 111 107.960 10.922 15.602 1.00 0.00 H new ATOM 0 HB2 LYS A 111 106.090 10.860 17.247 1.00 0.00 H new ATOM 0 HB3 LYS A 111 105.776 12.008 15.961 1.00 0.00 H new ATOM 0 HG2 LYS A 111 104.599 9.918 14.777 1.00 0.00 H new ATOM 0 HG3 LYS A 111 104.527 9.278 16.407 1.00 0.00 H new ATOM 0 HD2 LYS A 111 103.455 12.017 15.552 1.00 0.00 H new ATOM 0 HD3 LYS A 111 102.468 10.595 15.824 1.00 0.00 H new ATOM 0 HE2 LYS A 111 104.169 12.070 17.892 1.00 0.00 H new ATOM 0 HE3 LYS A 111 102.421 11.939 17.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 103.081 10.306 19.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 102.843 9.415 17.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 104.416 9.822 18.439 1.00 0.00 H new ATOM 1772 N LYS A 112 106.753 8.001 14.940 1.00 0.00 N ATOM 1773 CA LYS A 112 106.923 6.561 15.239 1.00 0.00 C ATOM 1774 C LYS A 112 108.332 6.169 14.813 1.00 0.00 C ATOM 1775 O LYS A 112 108.944 5.298 15.395 1.00 0.00 O ATOM 1776 CB LYS A 112 105.873 5.752 14.461 1.00 0.00 C ATOM 1777 CG LYS A 112 105.135 4.813 15.415 1.00 0.00 C ATOM 1778 CD LYS A 112 106.064 3.672 15.834 1.00 0.00 C ATOM 1779 CE LYS A 112 105.470 2.949 17.044 1.00 0.00 C ATOM 1780 NZ LYS A 112 106.218 1.682 17.281 1.00 0.00 N ATOM 0 H LYS A 112 106.243 8.209 14.082 1.00 0.00 H new ATOM 0 HA LYS A 112 106.786 6.358 16.301 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.165 6.426 13.979 1.00 0.00 H new ATOM 0 HB3 LYS A 112 106.355 5.177 13.670 1.00 0.00 H new ATOM 0 HG2 LYS A 112 104.798 5.363 16.294 1.00 0.00 H new ATOM 0 HG3 LYS A 112 104.245 4.411 14.930 1.00 0.00 H new ATOM 0 HD2 LYS A 112 106.195 2.973 15.008 1.00 0.00 H new ATOM 0 HD3 LYS A 112 107.051 4.064 16.080 1.00 0.00 H new ATOM 0 HE2 LYS A 112 105.525 3.587 17.926 1.00 0.00 H new ATOM 0 HE3 LYS A 112 104.415 2.735 16.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 105.815 1.190 18.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 106.143 1.072 16.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 107.219 1.899 17.463 1.00 0.00 H new ATOM 1794 N ASP A 113 108.851 6.843 13.814 1.00 0.00 N ATOM 1795 CA ASP A 113 110.240 6.574 13.330 1.00 0.00 C ATOM 1796 C ASP A 113 110.790 5.260 13.901 1.00 0.00 C ATOM 1797 O ASP A 113 111.157 5.179 15.057 1.00 0.00 O ATOM 1798 CB ASP A 113 111.126 7.738 13.775 1.00 0.00 C ATOM 1799 CG ASP A 113 111.328 7.687 15.291 1.00 0.00 C ATOM 1800 OD1 ASP A 113 110.415 8.071 16.004 1.00 0.00 O ATOM 1801 OD2 ASP A 113 112.393 7.266 15.714 1.00 0.00 O ATOM 0 H ASP A 113 108.361 7.580 13.306 1.00 0.00 H new ATOM 0 HA ASP A 113 110.230 6.481 12.244 1.00 0.00 H new ATOM 0 HB2 ASP A 113 112.090 7.687 13.269 1.00 0.00 H new ATOM 0 HB3 ASP A 113 110.667 8.685 13.492 1.00 0.00 H new ATOM 1806 N SER A 114 110.859 4.229 13.105 1.00 0.00 N ATOM 1807 CA SER A 114 111.390 2.939 13.625 1.00 0.00 C ATOM 1808 C SER A 114 112.801 3.157 14.174 1.00 0.00 C ATOM 1809 O SER A 114 113.290 2.385 14.975 1.00 0.00 O ATOM 1810 CB SER A 114 111.408 1.889 12.509 1.00 0.00 C ATOM 1811 OG SER A 114 110.423 0.901 12.783 1.00 0.00 O ATOM 0 H SER A 114 110.573 4.223 12.126 1.00 0.00 H new ATOM 0 HA SER A 114 110.746 2.578 14.427 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.210 2.360 11.546 1.00 0.00 H new ATOM 0 HB3 SER A 114 112.394 1.429 12.442 1.00 0.00 H new ATOM 0 HG SER A 114 110.429 0.227 12.071 1.00 0.00 H new ATOM 1817 N GLN A 115 113.456 4.209 13.766 1.00 0.00 N ATOM 1818 CA GLN A 115 114.825 4.474 14.287 1.00 0.00 C ATOM 1819 C GLN A 115 115.236 5.913 13.962 1.00 0.00 C ATOM 1820 O GLN A 115 115.660 6.644 14.833 1.00 0.00 O ATOM 1821 CB GLN A 115 115.828 3.491 13.668 1.00 0.00 C ATOM 1822 CG GLN A 115 115.430 3.179 12.229 1.00 0.00 C ATOM 1823 CD GLN A 115 116.480 2.265 11.595 1.00 0.00 C ATOM 1824 OE1 GLN A 115 117.572 1.990 12.256 1.00 0.00 O flip ATOM 1825 NE2 GLN A 115 116.306 1.795 10.488 1.00 0.00 N flip ATOM 0 H GLN A 115 113.104 4.894 13.097 1.00 0.00 H new ATOM 0 HA GLN A 115 114.823 4.338 15.369 1.00 0.00 H new ATOM 0 HB2 GLN A 115 116.831 3.918 13.693 1.00 0.00 H new ATOM 0 HB3 GLN A 115 115.858 2.572 14.253 1.00 0.00 H new ATOM 0 HG2 GLN A 115 114.453 2.697 12.207 1.00 0.00 H new ATOM 0 HG3 GLN A 115 115.343 4.102 11.656 1.00 0.00 H new ATOM 0 HE21 GLN A 115 115.453 2.009 9.971 1.00 0.00 H new ATOM 0 HE22 GLN A 115 117.013 1.186 10.076 1.00 0.00 H new ATOM 1834 N GLN A 116 115.117 6.331 12.724 1.00 0.00 N ATOM 1835 CA GLN A 116 115.514 7.737 12.374 1.00 0.00 C ATOM 1836 C GLN A 116 115.626 7.918 10.852 1.00 0.00 C ATOM 1837 O GLN A 116 115.612 9.026 10.360 1.00 0.00 O ATOM 1838 CB GLN A 116 116.884 8.050 12.988 1.00 0.00 C ATOM 1839 CG GLN A 116 117.837 6.874 12.734 1.00 0.00 C ATOM 1840 CD GLN A 116 119.286 7.368 12.777 1.00 0.00 C ATOM 1841 OE1 GLN A 116 119.782 7.740 13.821 1.00 0.00 O ATOM 1842 NE2 GLN A 116 119.988 7.386 11.677 1.00 0.00 N ATOM 0 H GLN A 116 114.767 5.769 11.948 1.00 0.00 H new ATOM 0 HA GLN A 116 114.748 8.407 12.764 1.00 0.00 H new ATOM 0 HB2 GLN A 116 117.290 8.963 12.552 1.00 0.00 H new ATOM 0 HB3 GLN A 116 116.783 8.226 14.059 1.00 0.00 H new ATOM 0 HG2 GLN A 116 117.684 6.100 13.486 1.00 0.00 H new ATOM 0 HG3 GLN A 116 117.624 6.423 11.765 1.00 0.00 H new ATOM 0 HE21 GLN A 116 119.571 7.073 10.800 1.00 0.00 H new ATOM 0 HE22 GLN A 116 120.954 7.713 11.694 1.00 0.00 H new ATOM 1851 N PHE A 117 115.761 6.843 10.117 1.00 0.00 N ATOM 1852 CA PHE A 117 115.904 6.926 8.621 1.00 0.00 C ATOM 1853 C PHE A 117 116.138 8.364 8.146 1.00 0.00 C ATOM 1854 O PHE A 117 117.240 8.724 7.790 1.00 0.00 O ATOM 1855 CB PHE A 117 114.646 6.390 7.948 1.00 0.00 C ATOM 1856 CG PHE A 117 114.223 5.117 8.628 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.547 5.172 9.850 1.00 0.00 C ATOM 1858 CD2 PHE A 117 114.507 3.883 8.038 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.154 3.992 10.482 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.115 2.700 8.669 1.00 0.00 C ATOM 1861 CZ PHE A 117 113.438 2.753 9.891 1.00 0.00 C ATOM 0 H PHE A 117 115.779 5.894 10.491 1.00 0.00 H new ATOM 0 HA PHE A 117 116.771 6.325 8.347 1.00 0.00 H new ATOM 0 HB2 PHE A 117 113.847 7.129 8.004 1.00 0.00 H new ATOM 0 HB3 PHE A 117 114.836 6.205 6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.329 6.127 10.305 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.030 3.844 7.094 1.00 0.00 H new ATOM 0 HE1 PHE A 117 112.631 4.033 11.426 1.00 0.00 H new ATOM 0 HE2 PHE A 117 114.335 1.746 8.213 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.134 1.839 10.380 1.00 0.00 H new ATOM 1871 N HIS A 118 115.094 9.164 8.105 1.00 0.00 N ATOM 1872 CA HIS A 118 115.208 10.583 7.617 1.00 0.00 C ATOM 1873 C HIS A 118 114.686 10.616 6.184 1.00 0.00 C ATOM 1874 O HIS A 118 114.935 11.536 5.431 1.00 0.00 O ATOM 1875 CB HIS A 118 116.662 11.076 7.646 1.00 0.00 C ATOM 1876 CG HIS A 118 116.683 12.577 7.545 1.00 0.00 C ATOM 1877 ND1 HIS A 118 116.739 13.423 6.464 1.00 0.00 N flip ATOM 1878 CD2 HIS A 118 116.641 13.396 8.665 1.00 0.00 C flip ATOM 1879 CE1 HIS A 118 116.733 14.741 6.907 1.00 0.00 C flip ATOM 1880 NE2 HIS A 118 116.673 14.672 8.237 1.00 0.00 N flip ATOM 0 H HIS A 118 114.154 8.891 8.393 1.00 0.00 H new ATOM 0 HA HIS A 118 114.630 11.239 8.268 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.148 10.756 8.568 1.00 0.00 H new ATOM 0 HB3 HIS A 118 117.223 10.637 6.821 1.00 0.00 H new ATOM 0 HD2 HIS A 118 116.592 13.069 9.693 1.00 0.00 H new ATOM 0 HE1 HIS A 118 116.769 15.634 6.300 1.00 0.00 H new ATOM 0 HE2 HIS A 118 116.654 15.485 8.853 1.00 0.00 H new ATOM 1889 N LEU A 119 113.964 9.592 5.822 1.00 0.00 N ATOM 1890 CA LEU A 119 113.394 9.475 4.444 1.00 0.00 C ATOM 1891 C LEU A 119 112.647 8.144 4.369 1.00 0.00 C ATOM 1892 O LEU A 119 112.622 7.470 3.365 1.00 0.00 O ATOM 1893 CB LEU A 119 114.535 9.541 3.398 1.00 0.00 C ATOM 1894 CG LEU A 119 115.292 8.189 3.200 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.139 7.236 4.397 1.00 0.00 C ATOM 1896 CD2 LEU A 119 114.810 7.480 1.921 1.00 0.00 C ATOM 0 H LEU A 119 113.738 8.811 6.437 1.00 0.00 H new ATOM 0 HA LEU A 119 112.708 10.294 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 119 114.119 9.857 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.250 10.305 3.703 1.00 0.00 H new ATOM 0 HG LEU A 119 116.349 8.442 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 119 115.687 6.314 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.538 7.711 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.084 7.006 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.349 6.540 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 119 113.742 7.278 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 119 114.998 8.119 1.058 1.00 0.00 H new ATOM 1908 N VAL A 120 112.069 7.765 5.469 1.00 0.00 N ATOM 1909 CA VAL A 120 111.339 6.470 5.571 1.00 0.00 C ATOM 1910 C VAL A 120 110.575 6.151 4.274 1.00 0.00 C ATOM 1911 O VAL A 120 110.187 7.041 3.546 1.00 0.00 O ATOM 1912 CB VAL A 120 110.376 6.582 6.757 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.185 6.934 8.010 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.338 7.692 6.494 1.00 0.00 C ATOM 0 H VAL A 120 112.071 8.314 6.329 1.00 0.00 H new ATOM 0 HA VAL A 120 112.045 5.653 5.723 1.00 0.00 H new ATOM 0 HB VAL A 120 109.854 5.635 6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.514 7.018 8.865 1.00 0.00 H new ATOM 0 HG12 VAL A 120 111.920 6.152 8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 120 111.698 7.884 7.857 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.658 7.763 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 120 109.850 8.644 6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 120 108.771 7.454 5.594 1.00 0.00 H new ATOM 1924 N PRO A 121 110.346 4.881 3.993 1.00 0.00 N ATOM 1925 CA PRO A 121 109.601 4.447 2.778 1.00 0.00 C ATOM 1926 C PRO A 121 108.109 4.659 2.997 1.00 0.00 C ATOM 1927 O PRO A 121 107.439 3.866 3.626 1.00 0.00 O ATOM 1928 CB PRO A 121 109.940 2.962 2.654 1.00 0.00 C ATOM 1929 CG PRO A 121 110.200 2.511 4.051 1.00 0.00 C ATOM 1930 CD PRO A 121 110.759 3.722 4.806 1.00 0.00 C ATOM 0 HA PRO A 121 109.865 5.002 1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.117 2.405 2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.813 2.807 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.283 2.152 4.519 1.00 0.00 H new ATOM 0 HG3 PRO A 121 110.910 1.684 4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.356 3.781 5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 121 111.844 3.667 4.898 1.00 0.00 H new ATOM 1938 N VAL A 122 107.608 5.765 2.544 1.00 0.00 N ATOM 1939 CA VAL A 122 106.182 6.099 2.784 1.00 0.00 C ATOM 1940 C VAL A 122 105.272 5.626 1.645 1.00 0.00 C ATOM 1941 O VAL A 122 104.577 4.642 1.772 1.00 0.00 O ATOM 1942 CB VAL A 122 106.080 7.627 2.981 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.319 8.300 2.401 1.00 0.00 C ATOM 1944 CG2 VAL A 122 104.852 8.200 2.279 1.00 0.00 C ATOM 0 H VAL A 122 108.130 6.461 2.011 1.00 0.00 H new ATOM 0 HA VAL A 122 105.837 5.576 3.676 1.00 0.00 H new ATOM 0 HB VAL A 122 105.998 7.818 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.246 9.379 2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.208 7.927 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.390 8.076 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 122 104.811 9.278 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 122 104.914 7.993 1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 122 103.952 7.739 2.686 1.00 0.00 H new ATOM 1954 N HIS A 123 105.211 6.350 0.568 1.00 0.00 N ATOM 1955 CA HIS A 123 104.272 5.975 -0.526 1.00 0.00 C ATOM 1956 C HIS A 123 104.928 5.079 -1.570 1.00 0.00 C ATOM 1957 O HIS A 123 106.119 4.852 -1.573 1.00 0.00 O ATOM 1958 CB HIS A 123 103.780 7.255 -1.205 1.00 0.00 C ATOM 1959 CG HIS A 123 102.603 6.945 -2.090 1.00 0.00 C ATOM 1960 ND1 HIS A 123 101.311 6.840 -1.595 1.00 0.00 N ATOM 1961 CD2 HIS A 123 102.507 6.723 -3.441 1.00 0.00 C ATOM 1962 CE1 HIS A 123 100.499 6.568 -2.635 1.00 0.00 C ATOM 1963 NE2 HIS A 123 101.179 6.487 -3.779 1.00 0.00 N ATOM 0 H HIS A 123 105.769 7.186 0.395 1.00 0.00 H new ATOM 0 HA HIS A 123 103.446 5.416 -0.086 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.496 7.990 -0.452 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.583 7.696 -1.795 1.00 0.00 H new ATOM 0 HD1 HIS A 123 101.028 6.949 -0.621 1.00 0.00 H new ATOM 0 HD2 HIS A 123 103.335 6.730 -4.134 1.00 0.00 H new ATOM 0 HE1 HIS A 123 99.431 6.432 -2.552 1.00 0.00 H new ATOM 1972 N LEU A 124 104.122 4.593 -2.472 1.00 0.00 N ATOM 1973 CA LEU A 124 104.613 3.729 -3.574 1.00 0.00 C ATOM 1974 C LEU A 124 104.203 4.421 -4.875 1.00 0.00 C ATOM 1975 O LEU A 124 103.033 4.516 -5.186 1.00 0.00 O ATOM 1976 CB LEU A 124 103.953 2.347 -3.462 1.00 0.00 C ATOM 1977 CG LEU A 124 104.563 1.361 -4.477 1.00 0.00 C ATOM 1978 CD1 LEU A 124 104.217 1.783 -5.909 1.00 0.00 C ATOM 1979 CD2 LEU A 124 106.087 1.306 -4.312 1.00 0.00 C ATOM 0 H LEU A 124 103.117 4.765 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 124 105.693 3.588 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 124 104.081 1.960 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.881 2.437 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 124 104.145 0.372 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 124 104.656 1.076 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 124 103.134 1.794 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 124 104.615 2.780 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 124 106.506 0.606 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 124 106.507 2.297 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 124 106.332 0.976 -3.303 1.00 0.00 H new ATOM 1991 N ASP A 125 105.138 4.948 -5.621 1.00 0.00 N ATOM 1992 CA ASP A 125 104.747 5.671 -6.865 1.00 0.00 C ATOM 1993 C ASP A 125 104.260 4.686 -7.924 1.00 0.00 C ATOM 1994 O ASP A 125 103.170 4.816 -8.446 1.00 0.00 O ATOM 1995 CB ASP A 125 105.944 6.461 -7.406 1.00 0.00 C ATOM 1996 CG ASP A 125 105.466 7.815 -7.940 1.00 0.00 C ATOM 1997 OD1 ASP A 125 104.763 8.500 -7.215 1.00 0.00 O ATOM 1998 OD2 ASP A 125 105.811 8.142 -9.063 1.00 0.00 O ATOM 0 H ASP A 125 106.139 4.910 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 125 103.936 6.360 -6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 125 106.681 6.609 -6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 125 106.435 5.898 -8.200 1.00 0.00 H new ATOM 2003 N ARG A 126 105.055 3.715 -8.265 1.00 0.00 N ATOM 2004 CA ARG A 126 104.616 2.753 -9.309 1.00 0.00 C ATOM 2005 C ARG A 126 105.439 1.475 -9.242 1.00 0.00 C ATOM 2006 O ARG A 126 106.326 1.329 -8.428 1.00 0.00 O ATOM 2007 CB ARG A 126 104.795 3.386 -10.686 1.00 0.00 C ATOM 2008 CG ARG A 126 106.241 3.855 -10.867 1.00 0.00 C ATOM 2009 CD ARG A 126 106.297 4.945 -11.940 1.00 0.00 C ATOM 2010 NE ARG A 126 105.376 4.590 -13.056 1.00 0.00 N ATOM 2011 CZ ARG A 126 105.033 5.494 -13.932 1.00 0.00 C ATOM 2012 NH1 ARG A 126 105.497 6.710 -13.831 1.00 0.00 N ATOM 2013 NH2 ARG A 126 104.226 5.183 -14.910 1.00 0.00 N ATOM 0 H ARG A 126 105.981 3.546 -7.871 1.00 0.00 H new ATOM 0 HA ARG A 126 103.568 2.509 -9.138 1.00 0.00 H new ATOM 0 HB2 ARG A 126 104.539 2.665 -11.462 1.00 0.00 H new ATOM 0 HB3 ARG A 126 104.114 4.230 -10.798 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.630 4.239 -9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.873 3.015 -11.154 1.00 0.00 H new ATOM 0 HD2 ARG A 126 106.014 5.907 -11.512 1.00 0.00 H new ATOM 0 HD3 ARG A 126 107.315 5.050 -12.314 1.00 0.00 H new ATOM 0 HE ARG A 126 105.013 3.640 -13.135 1.00 0.00 H new ATOM 0 HH11 ARG A 126 106.128 6.953 -13.067 1.00 0.00 H new ATOM 0 HH12 ARG A 126 105.229 7.417 -14.516 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.863 4.233 -14.989 1.00 0.00 H new ATOM 0 HH22 ARG A 126 103.958 5.890 -15.595 1.00 0.00 H new ATOM 2027 N VAL A 127 105.143 0.550 -10.110 1.00 0.00 N ATOM 2028 CA VAL A 127 105.891 -0.735 -10.141 1.00 0.00 C ATOM 2029 C VAL A 127 106.541 -0.876 -11.519 1.00 0.00 C ATOM 2030 O VAL A 127 105.901 -0.695 -12.535 1.00 0.00 O ATOM 2031 CB VAL A 127 104.920 -1.892 -9.883 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.608 -2.948 -9.018 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.692 -1.361 -9.141 1.00 0.00 C ATOM 0 H VAL A 127 104.404 0.632 -10.809 1.00 0.00 H new ATOM 0 HA VAL A 127 106.662 -0.753 -9.371 1.00 0.00 H new ATOM 0 HB VAL A 127 104.618 -2.334 -10.832 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.919 -3.772 -8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 127 106.491 -3.323 -9.535 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.905 -2.503 -8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.997 -2.180 -8.955 1.00 0.00 H new ATOM 0 HG22 VAL A 127 104.001 -0.924 -8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 127 103.201 -0.600 -9.748 1.00 0.00 H new ATOM 2043 N LEU A 128 107.812 -1.172 -11.560 1.00 0.00 N ATOM 2044 CA LEU A 128 108.515 -1.296 -12.870 1.00 0.00 C ATOM 2045 C LEU A 128 109.158 -2.680 -12.978 1.00 0.00 C ATOM 2046 O LEU A 128 108.744 -3.438 -13.840 1.00 0.00 O ATOM 2047 CB LEU A 128 109.599 -0.208 -12.948 1.00 0.00 C ATOM 2048 CG LEU A 128 109.539 0.505 -14.304 1.00 0.00 C ATOM 2049 CD1 LEU A 128 108.409 1.539 -14.296 1.00 0.00 C ATOM 2050 CD2 LEU A 128 110.870 1.215 -14.561 1.00 0.00 C ATOM 2051 OXT LEU A 128 110.054 -2.957 -12.198 1.00 0.00 O ATOM 0 H LEU A 128 108.396 -1.334 -10.740 1.00 0.00 H new ATOM 0 HA LEU A 128 107.807 -1.173 -13.689 1.00 0.00 H new ATOM 0 HB2 LEU A 128 109.458 0.514 -12.143 1.00 0.00 H new ATOM 0 HB3 LEU A 128 110.583 -0.655 -12.807 1.00 0.00 H new ATOM 0 HG LEU A 128 109.353 -0.228 -15.089 1.00 0.00 H new ATOM 0 HD11 LEU A 128 108.370 2.043 -15.262 1.00 0.00 H new ATOM 0 HD12 LEU A 128 107.459 1.038 -14.110 1.00 0.00 H new ATOM 0 HD13 LEU A 128 108.593 2.273 -13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 128 110.831 1.723 -15.524 1.00 0.00 H new ATOM 0 HD22 LEU A 128 111.051 1.945 -13.772 1.00 0.00 H new ATOM 0 HD23 LEU A 128 111.677 0.483 -14.569 1.00 0.00 H new